0 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,0,0,0,0,0|1,0,2]=3 1 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000210198_100000753159 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.8 C#CCCC(=O)C(C)C 1458a_100000692101_100000210206 [0,0,0,0,0,0|1,0,3]=4 3 B8R0.8 C#CCCC(=O)C(C)F 1458a_100000062450_100000753159 [0,0,0,0,0,0|1,0,3]=4 4 B8R0.8 C#CCCC(=O)N(C)C 11a_100102631434_100000692101 [0,0,0,0,0,0|2,0,2]=4 5 B8R0.8 C#CCCC(=O)N(C)C 1626a_100102631434_100000692101 [0,0,0,0,0,0|2,0,2]=4 6 B8R0.8 C#CCCC(=O)N(C)C 240690a_100102631434_100000692101 [0,0,0,0,0,0|2,0,2]=4 7 B8R0.8 C#CCCC(=O)N(C)C 527a_100102631434_100000692101 [0,0,0,0,0,0|2,0,2]=4 8 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,0,0,0,0,0|0,0,4]=4 9 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,0,0,0,0,0|0,0,4]=4 10 B8R0.8 C#CCNC(=O)C(=C)C 11a_100000212058_100000185857 [0,0,0,0,0,0|2,0,2]=4 11 B8R0.8 C#CCNC(=O)C(=C)C 1626a_100000212058_100000185857 [0,0,0,0,0,0|2,0,2]=4 12 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,0,0,0,0,0|2,0,2]=4 13 B8R0.8 C/C=C/CC(=O)C(C)C 1458a_100000210198_100102629194 [0,0,0,0,0,0|1,0,3]=4 14 B8R0.8 C/C=C/CC(=O)C(C)F 1458a_100000062450_100102629194 [0,0,0,0,0,0|1,0,3]=4 15 B8R0.8 C/C=C/CC(=O)[C@@H](C)O 1458a_100000717761_100102629194 [0,0,0,0,0,0|0,0,4]=4 16 B8R0.8 C/C=C/CC(=O)[C@H](C)O 1458a_217856618621_100102629194 [0,0,0,0,0,0|0,0,4]=4 17 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,0,0,0,0,0|2,0,1]=3 18 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,0,0,0,0,0|2,0,1]=3 19 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,0,0,0,0,0|3,0,1]=4 20 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,0,0,0,0,0|3,0,1]=4 21 B8R0.8 C=C(C)C(=NNCC)C 4a_100000756455_100011216138 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.8 C=C(C)C(=O)C/C=C/C 1458a_100000185857_100102629194 [0,0,0,0,0,0|1,0,2]=3 23 B8R0.8 C=C(C)C(=O)CC#CC 1458a_100000185857_100000748600 [0,0,0,0,0,0|1,0,2]=3 24 B8R0.8 C=C(C)C(=O)CC=CC 1458a_100000185857_100000070051 [0,0,0,0,0,0|1,0,2]=3 25 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,0,0,0,0,0|2,0,1]=3 26 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|1,0,0]=1 27 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,0,0,0,0,0|2,0,0]=2 28 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|2,0,0]=2 29 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,0,0,0,0,0|2,0,0]=2 30 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,0,0,0,0,0|2,0,0]=2 31 B8R0.8 C=C(C)C(=O)NCC#N 1626a_100000734998_100000185857 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,0,0,0,0,0|2,0,0]=2 33 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,0,0,0,0,0|2,0,0]=2 34 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,0,0,0,0,0|3,0,0]=3 35 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,0,0,0,0,0|3,0,0]=3 36 B8R0.8 C=C(C)C(=O)NNCC 22a_100000756455_100000185857 [0,0,0,0,0,0|3,0,0]=3 37 B8R0.8 C=C(C)C(C)NCCC 269862a_100020643023_100011216138 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,0,0,0,0,0|2,0,1]=3 39 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,0,0,0,0,0|2,0,1]=3 40 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 C=C(Cl)C(=O)NNCC 22a_100000756455_100000039160 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,0,0,0,0,0|2,0,1]=3 44 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,0,0,0,0,0|2,0,1]=3 45 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.8 C=C(F)C(=O)NNCC 22a_100000756455_100000036797 [0,0,0,0,0,0|3,0,1]=4 48 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,0,0,0,0,0|1,0,2]=3 49 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000210198_100000754431 [0,0,0,0,0,0|1,0,3]=4 50 B8R0.8 C=CCCC(=O)C(C)C 1458a_100000749702_100000210206 [0,0,0,0,0,0|1,0,3]=4 51 B8R0.8 C=CCCC(=O)C(C)F 1458a_100000062450_100000754431 [0,0,0,0,0,0|1,0,3]=4 52 B8R0.8 C=CCCC(=O)N(C)C 11a_100102631434_100000749702 [0,0,0,0,0,0|2,0,2]=4 53 B8R0.8 C=CCCC(=O)N(C)C 1626a_100102631434_100000749702 [0,0,0,0,0,0|2,0,2]=4 54 B8R0.8 C=CCCC(=O)N(C)C 240690a_100102631434_100000749702 [0,0,0,0,0,0|2,0,2]=4 55 B8R0.8 C=CCCC(=O)N(C)C 527a_100102631434_100000749702 [0,0,0,0,0,0|2,0,2]=4 56 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,0,0,0,0,0|0,0,4]=4 57 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,0,0,0,0,0|0,0,4]=4 58 B8R0.8 C=CCCN(C)C(=O)C 11a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.8 C=CCCN(C)C(=O)C 1626a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 60 B8R0.8 C=CCCN(C)C(=O)C 240690a_100020639649_100015343762 [0,0,0,0,0,0|2,0,2]=4 61 B8R0.8 C=CCCN(C)C(=O)C 527a_100020639649_100103153847 [0,0,0,0,0,0|2,0,2]=4 62 B8R0.8 C=CCNC(=O)C(=C)C 1626a_100020586998_100000185857 [0,0,0,0,0,0|2,0,2]=4 63 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,0,0,0,0,0|2,0,2]=4 64 B8R0.8 CC#CCC(=O)C(C)C 1458a_100000210198_100000748600 [0,0,0,0,0,0|1,0,3]=4 65 B8R0.8 CC#CCC(=O)C(C)F 1458a_100000062450_100000748600 [0,0,0,0,0,0|1,0,3]=4 66 B8R0.8 CC#CCC(=O)[C@@H](C)O 1458a_100000717761_100000748600 [0,0,0,0,0,0|0,0,4]=4 67 B8R0.8 CC#CCC(=O)[C@H](C)O 1458a_217856618621_100000748600 [0,0,0,0,0,0|0,0,4]=4 68 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,0,0,0,0,0|2,0,0]=2 69 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,0,0,0,0,0|2,0,0]=2 70 B8R0.8 CC(=O)C(C)COCF 34a_100000032740_100015361967 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CC(=O)C(C)COCF 7a_100000032740_100015361967 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.8 CC(=O)C(C)NCCO 2230a_100016997473_100009814033 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.8 CC(=O)C(C)OCCF 34a_100000212229_100011217306 [0,0,0,0,0,0|3,0,1]=4 74 B8R0.8 CC(=O)C(C)OCCO 34a_100000212229_100000211926 [0,0,0,0,0,0|3,0,1]=4 75 B8R0.8 CC(=O)C(C)SCCF 62a_100009814033_100011217306 [0,0,0,0,0,0|3,0,1]=4 76 B8R0.8 CC(=O)C(C)SCCF 62a_100011217306_100009814033 [0,0,0,0,0,0|3,0,1]=4 77 B8R0.8 CC(=O)C(C)SCCO 62a_100000211926_100009814033 [0,0,0,0,0,0|3,0,1]=4 78 B8R0.8 CC(=O)C(C)SCCO 62a_100009814033_100000211926 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.8 CC(=O)N(C)CCC#N 11a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.8 CC(=O)N(C)CCC#N 1626a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 81 B8R0.8 CC(=O)N(C)CCC#N 240690a_100000184479_100015343762 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.8 CC(=O)N(C)CCC#N 527a_100000184479_100103153847 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,0,0,0,0|3,0,0]=3 84 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,0,0,0,0|3,0,0]=3 85 B8R0.8 CC(C)C(=O)CCC#N 1458a_100000210198_100011215226 [0,0,0,0,0,0|2,0,2]=4 86 B8R0.8 CC(C)C(=O)CCC#N 1458a_100011934036_100000210206 [0,0,0,0,0,0|2,0,2]=4 87 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,0,0,0,0,0|2,0,1]=3 88 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,0,0,0,0,0|2,0,1]=3 89 B8R0.8 CC(C)C(=O)CSCF 62a_100000753385_100015361967 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.8 CC(C)C(=O)CSCF 62a_100015361967_100000753385 [0,0,0,0,0,0|3,0,1]=4 91 B8R0.8 CC(C)C(=O)NCCF 11a_100000724931_100000210198 [0,0,0,0,0,0|3,0,1]=4 92 B8R0.8 CC(C)C(=O)NCCF 1626a_100000724931_100000210198 [0,0,0,0,0,0|3,0,1]=4 93 B8R0.8 CC(C)C(=O)NCCF 240690a_100000724931_100000210198 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.8 CC(C)C(=O)NCCF 527a_100000724931_100000210198 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.8 CC(C)C(=O)NCCO 240690a_100000210304_100000210198 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.8 CC(C)C(=O)NCCO 527a_100000210304_100000210198 [0,0,0,0,0,0|3,0,1]=4 97 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_100000139345_200025704644 [0,0,0,0,0,0|3,0,1]=4 98 B8R0.8 CC(C)C(=O)OCS[13CH3] 62a_200025704644_100000139345 [0,0,0,0,0,0|3,0,1]=4 99 B8R0.8 CC(F)C(=O)CCC#N 1458a_100000062450_100011215226 [0,0,0,0,0,0|2,0,2]=4 100 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,0,0,0,0,0|2,0,1]=3 101 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,0,0,0,0,0|2,0,1]=3 102 B8R0.8 CC(F)C(=O)NCCF 11a_100000724931_100000062450 [0,0,0,0,0,0|3,0,1]=4 103 B8R0.8 CC(F)C(=O)NCCF 1626a_100000724931_100000062450 [0,0,0,0,0,0|3,0,1]=4 104 B8R0.8 CC(F)C(=O)NCCF 240690a_100000724931_100000062450 [0,0,0,0,0,0|3,0,1]=4 105 B8R0.8 CC(F)C(=O)NCCF 527a_100000724931_100000062450 [0,0,0,0,0,0|3,0,1]=4 106 B8R0.8 CC(F)C(=O)NCCO 240690a_100000210304_100000062450 [0,0,0,0,0,0|3,0,1]=4 107 B8R0.8 CC(F)C(=O)NCCO 527a_100000210304_100000062450 [0,0,0,0,0,0|3,0,1]=4 108 B8R0.8 CC=CCC(=O)C(C)C 1458a_100000210198_100000070051 [0,0,0,0,0,0|1,0,3]=4 109 B8R0.8 CC=CCC(=O)C(C)C 1458a_100121576822_100000210206 [0,0,0,0,0,0|1,0,3]=4 110 B8R0.8 CC=CCC(=O)C(C)F 1458a_100000062450_100000070051 [0,0,0,0,0,0|1,0,3]=4 111 B8R0.8 CC=CCC(=O)N(C)C 11a_100102631434_100121576822 [0,0,0,0,0,0|2,0,2]=4 112 B8R0.8 CC=CCC(=O)N(C)C 1626a_100102631434_100121576822 [0,0,0,0,0,0|2,0,2]=4 113 B8R0.8 CC=CCC(=O)N(C)C 240690a_100102631434_100121576822 [0,0,0,0,0,0|2,0,2]=4 114 B8R0.8 CC=CCC(=O)N(C)C 527a_100102631434_100121576822 [0,0,0,0,0,0|2,0,2]=4 115 B8R0.8 CC=CCC(=O)[C@@H](C)O 1458a_100000717761_100000070051 [0,0,0,0,0,0|0,0,4]=4 116 B8R0.8 CC=CCC(=O)[C@H](C)O 1458a_217856618621_100000070051 [0,0,0,0,0,0|0,0,4]=4 117 B8R0.8 CC=NNC(=O)C(=O)N 4a_100000211141_200000210099 [0,0,0,0,0,0|3,0,1]=4 118 B8R0.8 CCC#CC(=O)C(C)C 1458a_100011827653_100000210206 [0,0,0,0,0,0|1,0,3]=4 119 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|1,0,1]=2 120 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|1,0,1]=2 121 B8R0.8 CCC=CC(=O)C(C)C 1458a_100000212282_100000210206 [0,0,0,0,0,0|1,0,3]=4 122 B8R0.8 CCC=CC(=O)N(C)C 11a_100102631434_100000212282 [0,0,0,0,0,0|2,0,2]=4 123 B8R0.8 CCC=CC(=O)N(C)C 1626a_100102631434_100000212282 [0,0,0,0,0,0|2,0,2]=4 124 B8R0.8 CCC=CC(=O)N(C)C 240690a_100102631434_100000212282 [0,0,0,0,0,0|2,0,2]=4 125 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,0,0,0,0|1,0,1]=2 126 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,0,0,0,0|1,0,1]=2 127 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,0,0,0,0|1,0,1]=2 128 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|1,0,2]=3 129 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,0,0,0,0,0|2,0,0]=2 130 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,0,0,0,0,0|2,0,0]=2 131 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,0,0,0,0,0|2,0,0]=2 132 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,0,0,0,0,0|2,0,0]=2 133 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|0,0,2]=2 134 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|0,0,2]=2 135 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|1,0,1]=2 136 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|1,0,1]=2 137 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|1,0,1]=2 138 B8R0.8 CCCCC(C)N(C)C 2230a_100102631434_200011215066 [0,0,0,0,0,0|3,0,1]=4 139 B8R0.8 CCCCC(C)N(C)C 269982a_100102631434_200011215066 [0,0,0,0,0,0|3,0,1]=4 140 B8R0.8 CCCCC(C)N(C)C 270004a_100102631434_100000210087 [0,0,0,0,0,0|3,0,1]=4 141 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|0,0,2]=2 142 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|0,0,2]=2 143 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 144 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 145 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|2,0,0]=2 146 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|2,0,0]=2 147 B8R0.8 CCCCN(C)C(C)C 2230a_100000207398_200000210301 [0,0,0,0,0,0|3,0,1]=4 148 B8R0.8 CCCCN(C)C(C)C 2230a_100000207549_100000210206 [0,0,0,0,0,0|3,0,1]=4 149 B8R0.8 CCCCN(C)C(C)C 269982a_100000207398_200000210301 [0,0,0,0,0,0|3,0,1]=4 150 B8R0.8 CCCCN(C)C(C)C 269982a_100000207549_100000210206 [0,0,0,0,0,0|3,0,1]=4 151 B8R0.8 CCCCN(C)C(C)C 269982a_200000211004_100000210211 [0,0,0,0,0,0|3,0,1]=4 152 B8R0.8 CCCCN([13CH3])C(C)C 2230a_100000207398_200025704644 [0,0,0,0,0,0|3,0,1]=4 153 B8R0.8 CCCCN([13CH3])C(C)C 269982a_100000207398_200025704644 [0,0,0,0,0,0|3,0,1]=4 154 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|1,0,0]=1 155 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|2,0,0]=2 156 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|1,0,0]=1 157 B8R0.8 CCCNC(=O)C(C)C 11a_100020643023_100000210198 [0,0,0,0,0,0|2,0,1]=3 158 B8R0.8 CCCNC(=O)C(C)C 1626a_100020643023_100000210198 [0,0,0,0,0,0|2,0,1]=3 159 B8R0.8 CCCNC(=O)C(C)C 240690a_100020643023_100000210198 [0,0,0,0,0,0|2,0,1]=3 160 B8R0.8 CCCNC(=O)C(C)C 527a_100020643023_100000210198 [0,0,0,0,0,0|2,0,1]=3 161 B8R0.8 CCCNC(=O)C(C)F 11a_100020643023_100000062450 [0,0,0,0,0,0|2,0,1]=3 162 B8R0.8 CCCNC(=O)C(C)F 1626a_100020643023_100000062450 [0,0,0,0,0,0|2,0,1]=3 163 B8R0.8 CCCNC(=O)C(C)F 240690a_100020643023_100000062450 [0,0,0,0,0,0|2,0,1]=3 164 B8R0.8 CCCNC(=O)C(C)F 527a_100020643023_100000062450 [0,0,0,0,0,0|2,0,1]=3 165 B8R0.8 CCCNC(=O)C(F)F 11a_100020643023_100000210393 [0,0,0,0,0,0|3,0,1]=4 166 B8R0.8 CCCNC(=O)C(F)F 1626a_100020643023_100000210393 [0,0,0,0,0,0|3,0,1]=4 167 B8R0.8 CCCNC(=O)C(F)F 240690a_100020643023_100000210393 [0,0,0,0,0,0|3,0,1]=4 168 B8R0.8 CCCNC(=O)C(F)F 527a_100020643023_100000210393 [0,0,0,0,0,0|3,0,1]=4 169 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,0,0,0,0,0|2,0,2]=4 170 B8R0.8 CCCNC(=O)N(C)C 2708a_100020643023_100102631434 [0,0,0,0,0,0|3,0,0]=3 171 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,0,0,0,0|1,0,2]=3 172 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,0,0,0,0|1,0,2]=3 173 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,0,0,0,0|1,0,2]=3 174 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|3,0,1]=4 175 B8R0.8 CCCN[C@H](C)C(=O)N 2230a_100000119354_100000210303 [0,0,0,0,0,0|3,0,1]=4 176 B8R0.8 CCCN[C@H](C)C(=O)N 34a_100000119354_100000210303 [0,0,0,0,0,0|3,0,1]=4 177 B8R0.8 CCCOC(C)C(=O)C 34a_100000212229_100000210303 [0,0,0,0,0,0|2,0,1]=3 178 B8R0.8 CCCOC(C)C(=O)N 34a_100000210258_100000702099 [0,0,0,0,0,0|3,0,1]=4 179 B8R0.8 CCCOC(F)C(=O)N 34a_100000210258_100009813875 [0,0,0,0,0,0|3,0,1]=4 180 B8R0.8 CCCOC(F)C(=O)[O-] 34a_100000210258_100020610796 [0,0,0,0,0,0|3,0,1]=4 181 B8R0.8 CCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210303 [0,0,0,0,0,0|3,0,1]=4 182 B8R0.8 CCCO[C@H](C)C(=O)N 34a_100000731257_100000210303 [0,0,0,0,0,0|3,0,1]=4 183 B8R0.8 CCCO[C@H](C)C(=O)N 7a_100000731257_100000210303 [0,0,0,0,0,0|3,0,1]=4 184 B8R0.8 CCCSC(C)C(=O)C 62a_100000210303_100009814033 [0,0,0,0,0,0|2,0,1]=3 185 B8R0.8 CCCSC(C)C(=O)C 62a_100009814033_100000210303 [0,0,0,0,0,0|2,0,1]=3 186 B8R0.8 CCCSC(C)C(=O)N 62a_100000210303_100000702099 [0,0,0,0,0,0|3,0,1]=4 187 B8R0.8 CCCSC(C)C(=O)N 62a_100000702099_100000210303 [0,0,0,0,0,0|3,0,1]=4 188 B8R0.8 CCCSC(F)C(=O)N 62a_100000210303_100009813875 [0,0,0,0,0,0|3,0,1]=4 189 B8R0.8 CCCSC(F)C(=O)N 62a_100009813875_100000210303 [0,0,0,0,0,0|3,0,1]=4 190 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100000210303_100020610796 [0,0,0,0,0,0|3,0,1]=4 191 B8R0.8 CCCSC(F)C(=O)[O-] 62a_100020610796_100000210303 [0,0,0,0,0,0|3,0,1]=4 192 B8R0.8 CCNCC(=O)C(C)C 2230a_100015525214_100000753385 [0,0,0,0,0,0|2,0,1]=3 193 B8R0.8 CCNCC(=O)N(C)C 2230a_100015183351_100000210202 [0,0,0,0,0,0|3,0,0]=3 194 B8R0.8 CCNCC(=O)N(C)C 2230a_100015525214_100000185267 [0,0,0,0,0,0|3,0,0]=3 195 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|3,0,1]=4 196 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|3,0,1]=4 197 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,0,0,0,0,0|3,0,0]=3 198 B8R0.8 CCNNC(=O)C(C)C 22a_100000756455_100000210198 [0,0,0,0,0,0|3,0,1]=4 199 B8R0.8 CCNNC(=O)C(C)F 22a_100000756455_100000062450 [0,0,0,0,0,0|3,0,1]=4 200 B8R0.8 CCNNC(=O)[C@@H](C)O 22a_100000756455_100000717761 [0,0,0,0,0,0|2,0,2]=4 201 B8R0.8 CCNNC(=O)[C@H](C)O 22a_100000756455_217856618621 [0,0,0,0,0,0|2,0,2]=4 202 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|1,0,0]=1 203 B8R0.8 CCOCC(=O)C(C)C 1458a_100000211967_100000210206 [0,0,0,0,0,0|2,0,1]=3 204 B8R0.8 CCOCC(=O)C(C)C 34a_100121572206_100000753385 [0,0,0,0,0,0|2,0,1]=3 205 B8R0.8 CCOCC(=O)N(C)C 11a_100102631434_100000211967 [0,0,0,0,0,0|3,0,0]=3 206 B8R0.8 CCOCC(=O)N(C)C 1626a_100102631434_100000211967 [0,0,0,0,0,0|3,0,0]=3 207 B8R0.8 CCOCC(=O)N(C)C 240690a_100102631434_100000211967 [0,0,0,0,0,0|3,0,0]=3 208 B8R0.8 CCOCC(=O)N(C)C 34a_100121572206_100000692301 [0,0,0,0,0,0|3,0,0]=3 209 B8R0.8 CCOCC(=O)N(C)C 527a_100102631434_100000211967 [0,0,0,0,0,0|3,0,0]=3 210 B8R0.8 CCOCC(C)C(=O)C 34a_100000032740_100000210202 [0,0,0,0,0,0|2,0,1]=3 211 B8R0.8 CCOCC(C)C(=O)C 7a_100000032740_100000210202 [0,0,0,0,0,0|2,0,1]=3 212 B8R0.8 CCOC[C@H](N)C(=O)N 34a_100000729942_100000210202 [0,0,0,0,0,0|3,0,1]=4 213 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|1,0,0]=1 214 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|1,0,0]=1 215 B8R0.8 CCSCC(=O)C(C)C 1458a_100000230394_100000210206 [0,0,0,0,0,0|2,0,1]=3 216 B8R0.8 CCSCC(=O)C(C)C 62a_100000210202_100000753385 [0,0,0,0,0,0|2,0,1]=3 217 B8R0.8 CCSCC(=O)C(C)C 62a_100000753385_100000210202 [0,0,0,0,0,0|2,0,1]=3 218 B8R0.8 CCSCC(=O)N(C)C 11a_100102631434_100000230394 [0,0,0,0,0,0|3,0,0]=3 219 B8R0.8 CCSCC(=O)N(C)C 1626a_100102631434_100000230394 [0,0,0,0,0,0|3,0,0]=3 220 B8R0.8 CCSCC(=O)N(C)C 240690a_100102631434_100000230394 [0,0,0,0,0,0|3,0,0]=3 221 B8R0.8 CCSCC(=O)N(C)C 527a_100102631434_100000230394 [0,0,0,0,0,0|3,0,0]=3 222 B8R0.8 CCSCC(=O)N(C)C 62a_100000210202_100000692301 [0,0,0,0,0,0|3,0,0]=3 223 B8R0.8 CCSCC(=O)N(C)C 62a_100000692301_100000210202 [0,0,0,0,0,0|3,0,0]=3 224 B8R0.8 CN(C)C(=O)CCC#N 11a_100102631434_100011934036 [0,0,0,0,0,0|3,0,1]=4 225 B8R0.8 CN(C)C(=O)CCC#N 1626a_100102631434_100011934036 [0,0,0,0,0,0|3,0,1]=4 226 B8R0.8 CN(C)C(=O)CCC#N 240690a_100102631434_100011934036 [0,0,0,0,0,0|3,0,1]=4 227 B8R0.8 CN(C)C(=O)CCC#N 527a_100102631434_100011934036 [0,0,0,0,0,0|3,0,1]=4 228 B8R0.8 CN(C)C(=O)CCN[13CH3] 2230a_100000738053_200025704644 [0,0,0,0,0,0|3,0,0]=3 229 B8R0.8 CN(C)C(=O)CCO[13CH3] 34a_200000747469_200025704644 [0,0,0,0,0,0|3,0,0]=3 230 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_100000737620_200025704644 [0,0,0,0,0,0|3,0,0]=3 231 B8R0.8 CN(C)C(=O)CCS[13CH3] 62a_200025704644_100000737620 [0,0,0,0,0,0|3,0,0]=3 232 B8R0.8 CN(C)C(=O)CSCF 62a_100000692301_100015361967 [0,0,0,0,0,0|4,0,0]=4 233 B8R0.8 CN(C)C(=O)CSCF 62a_100015361967_100000692301 [0,0,0,0,0,0|4,0,0]=4 234 B8R0.8 CNCCC(=C(F)F)F 2230a_106832991635_100000036642 [0,0,0,0,0,0|4,0,0]=4 235 B8R0.8 CNCCC(=C(F)F)F 34a_100102657272_100009813398 [0,0,0,0,0,0|4,0,0]=4 236 B8R0.8 CNCCC(=C(F)F)F 7a_106832991635_100009813398 [0,0,0,0,0,0|4,0,0]=4 237 B8R0.8 CNCCC(=O)N(C)C 2230a_100000738053_200000210301 [0,0,0,0,0,0|3,0,0]=3 238 B8R0.8 CNCCC(=O)N(C)C 2230a_106832991635_100000737620 [0,0,0,0,0,0|3,0,0]=3 239 B8R0.8 CNCCC(=O)N(C)C 7a_106832991635_100000737620 [0,0,0,0,0,0|3,0,0]=3 240 B8R0.8 COCCC(=C(F)F)F 34a_100000068906_200000210301 [0,0,0,0,0,0|4,0,0]=4 241 B8R0.8 COCCC(=C(F)F)F 34a_100138415774_100009813398 [0,0,0,0,0,0|4,0,0]=4 242 B8R0.8 COCCC(=O)C(C)C 1458a_100000210198_100000233755 [0,0,0,0,0,0|2,0,1]=3 243 B8R0.8 COCCC(=O)C(C)C 1458a_100000749529_100000210206 [0,0,0,0,0,0|2,0,1]=3 244 B8R0.8 COCCC(=O)C(C)F 1458a_100000062450_100000233755 [0,0,0,0,0,0|2,0,1]=3 245 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,0,0,0,0,0|2,0,2]=4 246 B8R0.8 COCCC(=O)N(C)C 11a_100102631434_100000749529 [0,0,0,0,0,0|3,0,0]=3 247 B8R0.8 COCCC(=O)N(C)C 1626a_100102631434_100000749529 [0,0,0,0,0,0|3,0,0]=3 248 B8R0.8 COCCC(=O)N(C)C 240690a_100102631434_100000749529 [0,0,0,0,0,0|3,0,0]=3 249 B8R0.8 COCCC(=O)N(C)C 34a_200000747469_200000210301 [0,0,0,0,0,0|3,0,0]=3 250 B8R0.8 COCCC(=O)N(C)C 527a_100102631434_100000749529 [0,0,0,0,0,0|3,0,0]=3 251 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,0,0,0,0,0|1,0,2]=3 252 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,0,0,0,0,0|1,0,2]=3 253 B8R0.8 COCCN(C)C(=O)C 11a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 254 B8R0.8 COCCN(C)C(=O)C 1626a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 255 B8R0.8 COCCN(C)C(=O)C 240690a_100000743101_100015343762 [0,0,0,0,0,0|3,0,0]=3 256 B8R0.8 COCCN(C)C(=O)C 527a_100000743101_100103153847 [0,0,0,0,0,0|3,0,0]=3 257 B8R0.8 COCSC(C)C(=O)C 62a_100000766300_100009814033 [0,0,0,0,0,0|3,0,1]=4 258 B8R0.8 COCSC(C)C(=O)C 62a_100009814033_100000766300 [0,0,0,0,0,0|3,0,1]=4 259 B8R0.8 CSCCC(=C(F)F)F 62a_100009813398_200000210301 [0,0,0,0,0,0|4,0,0]=4 260 B8R0.8 CSCCC(=C(F)F)F 62a_200000210301_100009813398 [0,0,0,0,0,0|4,0,0]=4 261 B8R0.8 CSCCC(=O)C(C)C 1458a_100000174002_100000210206 [0,0,0,0,0,0|2,0,1]=3 262 B8R0.8 CSCCC(=O)C(C)C 1458a_100000210198_100000751147 [0,0,0,0,0,0|2,0,1]=3 263 B8R0.8 CSCCC(=O)C(C)F 1458a_100000062450_100000751147 [0,0,0,0,0,0|2,0,1]=3 264 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,0,0,0,0,0|2,0,2]=4 265 B8R0.8 CSCCC(=O)N(C)C 11a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 266 B8R0.8 CSCCC(=O)N(C)C 1626a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 267 B8R0.8 CSCCC(=O)N(C)C 240690a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 268 B8R0.8 CSCCC(=O)N(C)C 527a_100102631434_100000174002 [0,0,0,0,0,0|3,0,0]=3 269 B8R0.8 CSCCC(=O)N(C)C 62a_100000737620_200000210301 [0,0,0,0,0,0|3,0,0]=3 270 B8R0.8 CSCCC(=O)N(C)C 62a_200000210301_100000737620 [0,0,0,0,0,0|3,0,0]=3 271 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,0,0,0,0,0|1,0,2]=3 272 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,0,0,0,0,0|1,0,2]=3 273 B8R0.8 CSCCC(O)C(=O)C 1458a_100000685904_200000210301 [0,0,0,0,0,0|1,0,2]=3 274 B8R0.8 CSCCC(O)C(=O)[13CH3] 1458a_100000685904_200025704644 [0,0,0,0,0,0|1,0,2]=3 275 B8R0.8 CSCCN(C)C(=O)C 11a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 276 B8R0.8 CSCCN(C)C(=O)C 1626a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 277 B8R0.8 CSCCN(C)C(=O)C 240690a_100000686725_100015343762 [0,0,0,0,0,0|3,0,0]=3 278 B8R0.8 CSCCN(C)C(=O)C 527a_100000686725_100103153847 [0,0,0,0,0,0|3,0,0]=3 279 B8R0.8 CSCOC(=O)C(C)C 62a_100000139345_200000210301 [0,0,0,0,0,0|3,0,1]=4 280 B8R0.8 CSCOC(=O)C(C)C 62a_200000210301_100000139345 [0,0,0,0,0,0|3,0,1]=4 281 B8R0.8 CSCOC(C)C(=O)C 34a_100000212229_100011218213 [0,0,0,0,0,0|3,0,1]=4 282 B8R0.8 CSCSC(C)C(=O)C 62a_100009814033_100011218213 [0,0,0,0,0,0|3,0,1]=4 283 B8R0.8 CSCSC(C)C(=O)C 62a_100011218213_100009814033 [0,0,0,0,0,0|3,0,1]=4 284 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,0,0,0,0,0|1,0,3]=4 285 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,0,0,0,0,0|1,0,2]=3 286 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|1,0,2]=3 287 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,0,0,0,0,0|2,0,2]=4 288 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,0,0,0,0,0|2,0,2]=4 289 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,0,0,0,0,0|1,0,3]=4 290 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,0,0,0,0,0|1,0,2]=3 291 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|1,0,2]=3 292 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,0,0,0,0,0|2,0,2]=4 293 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,0,0,0,0,0|2,0,2]=4 294 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,0,0,0,0,0|2,0,2]=4 295 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,0,0,0,0,0|3,0,0]=3 296 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,0,0,0,0,0|3,0,0]=3 297 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,0,0,0,0,0|2,0,2]=4 298 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|2,0,2]=4 299 B8R0.8 [13CH3]OCCC(=C(F)F)F 34a_100000068906_200025704644 [0,0,0,0,0,0|4,0,0]=4 300 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_100009813398_200025704644 [0,0,0,0,0,0|4,0,0]=4 301 B8R0.8 [13CH3]SCCC(=C(F)F)F 62a_200025704644_100009813398 [0,0,0,0,0,0|4,0,0]=4 302 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|0,0,2]=3 303 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|1,0,2]=4 304 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|1,0,2]=4 305 B7R0.3 C#CC(=O)CCOC 1458a_100000211873_100000233755 [1,0,0,0,0,0|1,0,2]=4 306 B7R0.3 C#CC(=O)CCSC 1458a_100000211873_100000751147 [1,0,0,0,0,0|1,0,2]=4 307 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,0,0,0,0,0|0,0,3]=4 308 B7R0.3 C#CCCC(=O)CC 1458a_100000210414_100000753159 [1,0,0,0,0,0|0,0,3]=4 309 B7R0.3 C#CCCC(=O)CC 1458a_100000692101_100000210202 [1,0,0,0,0,0|0,0,3]=4 310 B7R0.3 C#CCCC(=O)NC 11a_106832991635_100000692101 [1,0,0,0,0,0|1,0,2]=4 311 B7R0.3 C#CCCC(=O)NC 1626a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 312 B7R0.3 C#CCCC(=O)NC 240690a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 313 B7R0.3 C#CCCC(=O)NC 527a_100102657272_100000692101 [1,0,0,0,0,0|1,0,2]=4 314 B7R0.3 C/C=C/CC(=O)CC 1458a_100000210414_100102629194 [1,0,0,0,0,0|0,0,3]=4 315 B7R0.3 C=CC(=O)C/C=C/C 1458a_100000185746_100102629194 [1,0,0,0,0,0|0,0,3]=4 316 B7R0.3 C=CC(=O)CC#CC 1458a_100000185746_100000748600 [1,0,0,0,0,0|0,0,3]=4 317 B7R0.3 C=CC(=O)CC=CC 1458a_100000185746_100000070051 [1,0,0,0,0,0|0,0,3]=4 318 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,0,0,0,0,0|1,0,2]=4 319 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|0,0,1]=2 320 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|1,0,1]=3 321 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|1,0,1]=3 322 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|1,0,1]=3 323 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|1,0,1]=3 324 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|1,0,1]=3 325 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|1,0,1]=3 326 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,0,0,0,0,0|2,0,1]=4 327 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,0,0,0,0,0|2,0,1]=4 328 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,0,0,0,0,0|2,0,1]=4 329 B7R0.3 C=CC(=O)NNCC 22a_100000756455_100000185746 [1,0,0,0,0,0|2,0,1]=4 330 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|0,0,3]=4 331 B7R0.3 C=CCCC(=O)CC 1458a_100000210414_100000754431 [1,0,0,0,0,0|0,0,3]=4 332 B7R0.3 C=CCCC(=O)CC 1458a_100000749702_100000210202 [1,0,0,0,0,0|0,0,3]=4 333 B7R0.3 C=CCCC(=O)NC 11a_106832991635_100000749702 [1,0,0,0,0,0|1,0,2]=4 334 B7R0.3 C=CCCC(=O)NC 1626a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 335 B7R0.3 C=CCCC(=O)NC 240690a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 336 B7R0.3 C=CCCC(=O)NC 527a_100102657272_100000749702 [1,0,0,0,0,0|1,0,2]=4 337 B7R0.3 CC#CCC(=O)CC 1458a_100000210414_100000748600 [1,0,0,0,0,0|0,0,3]=4 338 B7R0.3 CC=CCC(=O)CC 1458a_100000210414_100000070051 [1,0,0,0,0,0|0,0,3]=4 339 B7R0.3 CC=CCC(=O)CC 1458a_100121576822_100000210202 [1,0,0,0,0,0|0,0,3]=4 340 B7R0.3 CC=CCC(=O)NC 11a_106832991635_100121576822 [1,0,0,0,0,0|1,0,2]=4 341 B7R0.3 CC=CCC(=O)NC 1626a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 342 B7R0.3 CC=CCC(=O)NC 240690a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 343 B7R0.3 CC=CCC(=O)NC 527a_100102657272_100121576822 [1,0,0,0,0,0|1,0,2]=4 344 B7R0.3 CCC#CC(=O)CC 1458a_100011827653_100000210202 [1,0,0,0,0,0|0,0,3]=4 345 B7R0.3 CCC(=O)CCC#N 1458a_100000210414_100011215226 [1,0,0,0,0,0|1,0,2]=4 346 B7R0.3 CCC(=O)CCC#N 1458a_100011934036_100000210202 [1,0,0,0,0,0|1,0,2]=4 347 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|1,0,1]=3 348 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|1,0,1]=3 349 B7R0.3 CCC(=O)CCOC 1458a_100000210414_100000233755 [1,0,0,0,0,0|1,0,1]=3 350 B7R0.3 CCC(=O)CCOC 1458a_100000749529_100000210202 [1,0,0,0,0,0|1,0,1]=3 351 B7R0.3 CCC(=O)CCSC 1458a_100000174002_100000210202 [1,0,0,0,0,0|1,0,1]=3 352 B7R0.3 CCC(=O)CCSC 1458a_100000210414_100000751147 [1,0,0,0,0,0|1,0,1]=3 353 B7R0.3 CCC(=O)COCF 34a_100000725409_100015361967 [1,0,0,0,0,0|2,0,1]=4 354 B7R0.3 CCC(=O)CSCF 62a_100000747405_100015361967 [1,0,0,0,0,0|2,0,1]=4 355 B7R0.3 CCC(=O)CSCF 62a_100015361967_100000747405 [1,0,0,0,0,0|2,0,1]=4 356 B7R0.3 CCC(=O)NCCF 11a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 357 B7R0.3 CCC(=O)NCCF 1626a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 358 B7R0.3 CCC(=O)NCCF 240690a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 359 B7R0.3 CCC(=O)NCCF 527a_100000724931_100000210414 [1,0,0,0,0,0|2,0,1]=4 360 B7R0.3 CCC(=O)NCCO 240690a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 361 B7R0.3 CCC(=O)NCCO 527a_100000210304_100000210414 [1,0,0,0,0,0|2,0,1]=4 362 B7R0.3 CCC=CC(=O)CC 1458a_100000212282_100000210202 [1,0,0,0,0,0|0,0,3]=4 363 B7R0.3 CCC=CC(=O)NC 11a_106832991635_100000212282 [1,0,0,0,0,0|1,0,2]=4 364 B7R0.3 CCC=CC(=O)NC 1626a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 365 B7R0.3 CCC=CC(=O)NC 240690a_100102657272_100000212282 [1,0,0,0,0,0|1,0,2]=4 366 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|0,0,1]=2 367 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|0,0,1]=2 368 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|1,0,1]=3 369 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|0,0,2]=3 370 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|1,0,0]=2 371 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 372 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 373 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|1,0,0]=2 374 B7R0.3 CCCCC(C)NC 2230a_100000126638_200000210301 [1,0,0,0,0,0|2,0,1]=4 375 B7R0.3 CCCCC(C)NC 2230a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 376 B7R0.3 CCCCC(C)NC 270004a_106832991635_100000210087 [1,0,0,0,0,0|2,0,1]=4 377 B7R0.3 CCCCC(C)NC 34a_100102657272_200011215066 [1,0,0,0,0,0|2,0,1]=4 378 B7R0.3 CCCCC(C)NC 7a_106832991635_200011215066 [1,0,0,0,0,0|2,0,1]=4 379 B7R0.3 CCCCC(C)N[13CH3] 2230a_100000126638_200025704644 [1,0,0,0,0,0|2,0,1]=4 380 B7R0.3 CCCCC(C)OC 34a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 381 B7R0.3 CCCCC(C)OC 34a_100138415774_200011215066 [1,0,0,0,0,0|2,0,1]=4 382 B7R0.3 CCCCC(C)OC 7a_100000687866_200000210301 [1,0,0,0,0,0|2,0,1]=4 383 B7R0.3 CCCCC(C)O[13CH3] 34a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 384 B7R0.3 CCCCC(C)O[13CH3] 7a_100000687866_200025704644 [1,0,0,0,0,0|2,0,1]=4 385 B7R0.3 CCCCC(C)SC 62a_200000210301_200011215066 [1,0,0,0,0,0|2,0,1]=4 386 B7R0.3 CCCCC(C)SC 62a_200011215066_200000210301 [1,0,0,0,0,0|2,0,1]=4 387 B7R0.3 CCCCC(C)S[13CH3] 62a_200011215066_200025704644 [1,0,0,0,0,0|2,0,1]=4 388 B7R0.3 CCCCC(C)S[13CH3] 62a_200025704644_200011215066 [1,0,0,0,0,0|2,0,1]=4 389 B7R0.3 CCCCN(C)CC 2230a_100000207549_100000210202 [1,0,0,0,0,0|2,0,1]=4 390 B7R0.3 CCCCN(C)CC 2230a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 391 B7R0.3 CCCCN(C)CC 2230a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 392 B7R0.3 CCCCN(C)CC 269982a_100000207549_100000204670 [1,0,0,0,0,0|2,0,1]=4 393 B7R0.3 CCCCN(C)CC 269982a_100000207695_200000210301 [1,0,0,0,0,0|2,0,1]=4 394 B7R0.3 CCCCN(C)CC 269982a_100000225621_100000210211 [1,0,0,0,0,0|2,0,1]=4 395 B7R0.3 CCCCN([13CH3])CC 2230a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 396 B7R0.3 CCCCN([13CH3])CC 269982a_100000207695_200025704644 [1,0,0,0,0,0|2,0,1]=4 397 B7R0.3 CCCNC(=O)CC 11a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 398 B7R0.3 CCCNC(=O)CC 1626a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 399 B7R0.3 CCCNC(=O)CC 240690a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 400 B7R0.3 CCCNC(=O)CC 527a_100020643023_100000210414 [1,0,0,0,0,0|1,0,1]=3 401 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|1,0,2]=4 402 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|1,0,2]=4 403 B7R0.3 CCCNC(=O)NC 2708a_100020643023_106832991635 [1,0,0,0,0,0|2,0,0]=3 404 B7R0.3 CCCNC(=O)NC 2708a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 405 B7R0.3 CCCNC(=O)NC 273464a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 406 B7R0.3 CCCNC(=O)NC 273464a_100102657272_100020643023 [1,0,0,0,0,0|2,0,0]=3 407 B7R0.3 CCCNC(=O)NC 512a_100020643023_100102657272 [1,0,0,0,0,0|2,0,0]=3 408 B7R0.3 CCCNC(=O)NC 512a_106832991638_100020643023 [1,0,0,0,0,0|2,0,0]=3 409 B7R0.3 CCNCC(=O)NC 2230a_100000693194_100000210202 [1,0,0,0,0,0|2,0,0]=3 410 B7R0.3 CCNCC(=O)NC 2230a_100015525214_100000183359 [1,0,0,0,0,0|2,0,0]=3 411 B7R0.3 CCNCC(=O)OC 2230a_100015525214_100000747449 [1,0,0,0,0,0|2,0,0]=3 412 B7R0.3 CCNNC(=O)CC 22a_100000756455_100000210414 [1,0,0,0,0,0|2,0,1]=4 413 B7R0.3 CCNNC(=O)NC 273464a_100102657272_100000756455 [1,0,0,0,0,0|3,0,0]=4 414 B7R0.3 CCNNC(=O)NC 512a_100000756455_100102657272 [1,0,0,0,0,0|3,0,0]=4 415 B7R0.3 CCNNC(=O)NC 512a_106832991638_100000756455 [1,0,0,0,0,0|3,0,0]=4 416 B7R0.3 CCOCC(=O)CC 1458a_100000211967_100000210202 [1,0,0,0,0,0|1,0,1]=3 417 B7R0.3 CCOCC(=O)CC 34a_100000725409_100000210202 [1,0,0,0,0,0|1,0,1]=3 418 B7R0.3 CCOCC(=O)CF 1458a_100000211967_100015361967 [1,0,0,0,0,0|2,0,1]=4 419 B7R0.3 CCOCC(=O)NC 11a_106832991635_100000211967 [1,0,0,0,0,0|2,0,0]=3 420 B7R0.3 CCOCC(=O)NC 1626a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 421 B7R0.3 CCOCC(=O)NC 240690a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 422 B7R0.3 CCOCC(=O)NC 34a_100000750040_100000210202 [1,0,0,0,0,0|2,0,0]=3 423 B7R0.3 CCOCC(=O)NC 34a_100121572206_100000183359 [1,0,0,0,0,0|2,0,0]=3 424 B7R0.3 CCOCC(=O)NC 527a_100102657272_100000211967 [1,0,0,0,0,0|2,0,0]=3 425 B7R0.3 CCOCC(=O)OC 34a_100121572206_100000747449 [1,0,0,0,0,0|2,0,0]=3 426 B7R0.3 CCSCC(=O)CC 1458a_100000230394_100000210202 [1,0,0,0,0,0|1,0,1]=3 427 B7R0.3 CCSCC(=O)CC 62a_100000210202_100000747405 [1,0,0,0,0,0|1,0,1]=3 428 B7R0.3 CCSCC(=O)CC 62a_100000747405_100000210202 [1,0,0,0,0,0|1,0,1]=3 429 B7R0.3 CCSCC(=O)CF 1458a_100000230394_100015361967 [1,0,0,0,0,0|2,0,1]=4 430 B7R0.3 CCSCC(=O)NC 11a_106832991635_100000230394 [1,0,0,0,0,0|2,0,0]=3 431 B7R0.3 CCSCC(=O)NC 1626a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 432 B7R0.3 CCSCC(=O)NC 240690a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 433 B7R0.3 CCSCC(=O)NC 527a_100102657272_100000230394 [1,0,0,0,0,0|2,0,0]=3 434 B7R0.3 CCSCC(=O)NC 62a_100000183359_100000210202 [1,0,0,0,0,0|2,0,0]=3 435 B7R0.3 CCSCC(=O)NC 62a_100000210202_100000183359 [1,0,0,0,0,0|2,0,0]=3 436 B7R0.3 CCSCC(=O)OC 62a_100000210202_100000747449 [1,0,0,0,0,0|2,0,0]=3 437 B7R0.3 CCSCC(=O)OC 62a_100000747449_100000210202 [1,0,0,0,0,0|2,0,0]=3 438 B7R0.3 CNC(=O)CCC#N 11a_106832991635_100011934036 [1,0,0,0,0,0|2,0,1]=4 439 B7R0.3 CNC(=O)CCC#N 1626a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 440 B7R0.3 CNC(=O)CCC#N 240690a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 441 B7R0.3 CNC(=O)CCC#N 527a_100102657272_100011934036 [1,0,0,0,0,0|2,0,1]=4 442 B7R0.3 CNC(=O)CCN[13CH3] 2230a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 443 B7R0.3 CNC(=O)CCN[13CH3] 34a_100000738227_200025704644 [1,0,0,0,0,0|2,0,0]=3 444 B7R0.3 CNC(=O)CCOC 11a_106832991635_100000749529 [1,0,0,0,0,0|2,0,0]=3 445 B7R0.3 CNC(=O)CCOC 1626a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 446 B7R0.3 CNC(=O)CCOC 240690a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 447 B7R0.3 CNC(=O)CCOC 34a_100000754576_200000210301 [1,0,0,0,0,0|2,0,0]=3 448 B7R0.3 CNC(=O)CCOC 34a_100138415774_100012179268 [1,0,0,0,0,0|2,0,0]=3 449 B7R0.3 CNC(=O)CCOC 527a_100102657272_100000749529 [1,0,0,0,0,0|2,0,0]=3 450 B7R0.3 CNC(=O)CCO[13CH3] 34a_100000754576_200025704644 [1,0,0,0,0,0|2,0,0]=3 451 B7R0.3 CNC(=O)CCSC 11a_106832991635_100000174002 [1,0,0,0,0,0|2,0,0]=3 452 B7R0.3 CNC(=O)CCSC 1626a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 453 B7R0.3 CNC(=O)CCSC 240690a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 454 B7R0.3 CNC(=O)CCSC 527a_100102657272_100000174002 [1,0,0,0,0,0|2,0,0]=3 455 B7R0.3 CNC(=O)CCSC 62a_100000737683_200000210301 [1,0,0,0,0,0|2,0,0]=3 456 B7R0.3 CNC(=O)CCSC 62a_200000210301_100000737683 [1,0,0,0,0,0|2,0,0]=3 457 B7R0.3 CNC(=O)CCS[13CH3] 62a_100000737683_200025704644 [1,0,0,0,0,0|2,0,0]=3 458 B7R0.3 CNC(=O)CCS[13CH3] 62a_200025704644_100000737683 [1,0,0,0,0,0|2,0,0]=3 459 B7R0.3 CNC(=O)COCF 34a_100000750040_100015361967 [1,0,0,0,0,0|3,0,0]=4 460 B7R0.3 CNC(=O)CSCF 62a_100000183359_100015361967 [1,0,0,0,0,0|3,0,0]=4 461 B7R0.3 CNC(=O)CSCF 62a_100015361967_100000183359 [1,0,0,0,0,0|3,0,0]=4 462 B7R0.3 CNC(=O)NCCF 2708a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 463 B7R0.3 CNC(=O)NCCF 273464a_100000724931_100102657272 [1,0,0,0,0,0|3,0,0]=4 464 B7R0.3 CNC(=O)NCCF 273464a_100102657272_100000724931 [1,0,0,0,0,0|3,0,0]=4 465 B7R0.3 CNC(=O)NCCF 512a_106832991638_100000724931 [1,0,0,0,0,0|3,0,0]=4 466 B7R0.3 CNC(=O)NCCO 2708a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 467 B7R0.3 CNC(=O)NCCO 273464a_100000210304_100102657272 [1,0,0,0,0,0|3,0,0]=4 468 B7R0.3 CNC(=O)NCCO 273464a_100102657272_100000210304 [1,0,0,0,0,0|3,0,0]=4 469 B7R0.3 CNC(=O)NCCO 512a_106832991638_100000210304 [1,0,0,0,0,0|3,0,0]=4 470 B7R0.3 CNCCC(=O)NC 2230a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 471 B7R0.3 CNCCC(=O)NC 2230a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 472 B7R0.3 CNCCC(=O)NC 34a_100000738227_200000210301 [1,0,0,0,0,0|2,0,0]=3 473 B7R0.3 CNCCC(=O)NC 34a_100102657272_100012179268 [1,0,0,0,0,0|2,0,0]=3 474 B7R0.3 CNCCC(=O)NC 7a_106832991635_100000737683 [1,0,0,0,0,0|2,0,0]=3 475 B7R0.3 CNCCC(=O)OC 2230a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 476 B7R0.3 CNCCC(=O)OC 34a_100102657272_100000742370 [1,0,0,0,0,0|2,0,0]=3 477 B7R0.3 CNCCC(=O)OC 7a_106832991635_100000204255 [1,0,0,0,0,0|2,0,0]=3 478 B7R0.3 COC(=O)CCSC 62a_100000204255_200000210301 [1,0,0,0,0,0|2,0,0]=3 479 B7R0.3 COC(=O)CCSC 62a_200000210301_100000204255 [1,0,0,0,0,0|2,0,0]=3 480 B7R0.3 COC(=O)CCS[13CH3] 62a_100000204255_200025704644 [1,0,0,0,0,0|2,0,0]=3 481 B7R0.3 COC(=O)CCS[13CH3] 62a_200025704644_100000204255 [1,0,0,0,0,0|2,0,0]=3 482 B7R0.3 COC(=O)CSCF 62a_100000747449_100015361967 [1,0,0,0,0,0|3,0,0]=4 483 B7R0.3 COC(=O)CSCF 62a_100015361967_100000747449 [1,0,0,0,0,0|3,0,0]=4 484 B7R0.3 COC(=O)OCSC 62a_200000210301_100000139417 [1,0,0,0,0,0|3,0,0]=4 485 B7R0.3 COC(=O)OCS[13CH3] 62a_200025704644_100000139417 [1,0,0,0,0,0|3,0,0]=4 486 B7R0.3 COCCC(=O)CF 1458a_100000749529_100015361967 [1,0,0,0,0,0|2,0,1]=4 487 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|1,0,2]=4 488 B7R0.3 COCCC(=O)OC 34a_100138415774_100000742370 [1,0,0,0,0,0|2,0,0]=3 489 B7R0.3 CSCCC(=O)CF 1458a_100000174002_100015361967 [1,0,0,0,0,0|2,0,1]=4 490 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|1,0,2]=4 491 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|1,0,2]=4 492 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|1,0,2]=4 493 B7R0.4 C#CCCCC(=O)C 1458a_100000070787_100000731252 [1,0,0,0,0,0|0,0,3]=4 494 B7R0.4 C#CCCCC(=O)C 1458a_100000690238_200000210301 [1,0,0,0,0,0|0,0,3]=4 495 B7R0.4 C#CCCCC(=O)[13CH3] 1458a_100000690238_200025704644 [1,0,0,0,0,0|0,0,3]=4 496 B7R0.4 C#CCCNC(=O)C 11a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 497 B7R0.4 C#CCCNC(=O)C 1626a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 498 B7R0.4 C#CCCNC(=O)C 240690a_100000755551_100015343762 [1,0,0,0,0,0|1,0,2]=4 499 B7R0.4 C#CCCNC(=O)C 527a_100000755551_100103153847 [1,0,0,0,0,0|1,0,2]=4 500 B7R0.4 C/C=C/C=CC(=O)C 1458a_100000185730_200000210301 [1,0,0,0,0,0|0,0,3]=4 501 B7R0.4 C/C=C/C=CC(=O)[13CH3] 1458a_100000185730_200025704644 [1,0,0,0,0,0|0,0,3]=4 502 B7R0.4 C=C(C)C=NNCC 4a_100000756455_100000210575 [1,0,0,0,0,0|3,0,0]=4 503 B7R0.4 C=C(C)CCNCC 2230a_100015525214_100000730704 [1,0,0,0,0,0|2,0,1]=4 504 B7R0.4 C=C(C)CCOCC 34a_100000764851_100000210202 [1,0,0,0,0,0|2,0,1]=4 505 B7R0.4 C=C(C)CCOCC 34a_100121572206_100000730704 [1,0,0,0,0,0|2,0,1]=4 506 B7R0.4 C=C(C)CCSCC 62a_100000210202_100000730704 [1,0,0,0,0,0|2,0,1]=4 507 B7R0.4 C=C(C)CCSCC 62a_100000730704_100000210202 [1,0,0,0,0,0|2,0,1]=4 508 B7R0.4 C=C(C)COCCC 34a_100000210245_100000210303 [1,0,0,0,0,0|2,0,1]=4 509 B7R0.4 C=C(C)COCCC 34a_100000210258_100000748629 [1,0,0,0,0,0|2,0,1]=4 510 B7R0.4 C=C(C)CSCCC 62a_100000210303_100000211660 [1,0,0,0,0,0|2,0,1]=4 511 B7R0.4 C=C(C)CSCCC 62a_100000748629_100000210303 [1,0,0,0,0,0|2,0,1]=4 512 B7R0.4 C=CCCCC(=O)C 1458a_100000070787_100000757094 [1,0,0,0,0,0|0,0,3]=4 513 B7R0.4 C=CCCCC(=O)C 1458a_100000766728_200000210301 [1,0,0,0,0,0|0,0,3]=4 514 B7R0.4 C=CCCCC(=O)[13CH3] 1458a_100000766728_200025704644 [1,0,0,0,0,0|0,0,3]=4 515 B7R0.4 C=CCCNC(=O)C 11a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 516 B7R0.4 C=CCCNC(=O)C 1626a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 517 B7R0.4 C=CCCNC(=O)C 240690a_100015191253_100015343762 [1,0,0,0,0,0|1,0,2]=4 518 B7R0.4 C=CCCNC(=O)C 527a_100015191253_100103153847 [1,0,0,0,0,0|1,0,2]=4 519 B7R0.4 CC#CCNC(=O)C 11a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 520 B7R0.4 CC#CCNC(=O)C 1626a_100000685387_100015343762 [1,0,0,0,0,0|1,0,2]=4 521 B7R0.4 CC#CCNC(=O)C 527a_100000685387_100103153847 [1,0,0,0,0,0|1,0,2]=4 522 B7R0.4 CC(=CCCS[13CH3])C 62a_100011217483_200025704644 [1,0,0,0,0,0|2,0,0]=3 523 B7R0.4 CC(=CCCS[13CH3])C 62a_200025704644_100011217483 [1,0,0,0,0,0|2,0,0]=3 524 B7R0.4 CC(=CCNCF)C 34a_100000718196_100015361967 [1,0,0,0,0,0|3,0,0]=4 525 B7R0.4 CC(=CCOCF)C 34a_100000753907_100015361967 [1,0,0,0,0,0|3,0,0]=4 526 B7R0.4 CC(=CCSCF)C 62a_100000761012_100015361967 [1,0,0,0,0,0|3,0,0]=4 527 B7R0.4 CC(=CCSCF)C 62a_100015361967_100000761012 [1,0,0,0,0,0|3,0,0]=4 528 B7R0.4 CC(=O)CCCC#N 1458a_100000070787_100000211468 [1,0,0,0,0,0|1,0,2]=4 529 B7R0.4 CC(=O)CCCC#N 1458a_100000075515_200000210301 [1,0,0,0,0,0|1,0,2]=4 530 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|1,0,1]=3 531 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|1,0,1]=3 532 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|1,0,1]=3 533 B7R0.4 CC(=O)CCCO[13CH3] 34a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 534 B7R0.4 CC(=O)CCCO[13CH3] 7a_100000759063_200025704644 [1,0,0,0,0,0|1,0,1]=3 535 B7R0.4 CC(=O)CCCS[13CH3] 62a_100011215641_200025704644 [1,0,0,0,0,0|1,0,1]=3 536 B7R0.4 CC(=O)CCCS[13CH3] 62a_200025704644_100011215641 [1,0,0,0,0,0|1,0,1]=3 537 B7R0.4 CC(=O)CCOCF 34a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 538 B7R0.4 CC(=O)CCOCF 7a_100000759926_100015361967 [1,0,0,0,0,0|2,0,1]=4 539 B7R0.4 CC(=O)CCSCF 62a_100000053229_100015361967 [1,0,0,0,0,0|2,0,1]=4 540 B7R0.4 CC(=O)CCSCF 62a_100015361967_100000053229 [1,0,0,0,0,0|2,0,1]=4 541 B7R0.4 CC(=O)COCCF 34a_100000211253_100011217306 [1,0,0,0,0,0|2,0,1]=4 542 B7R0.4 CC(=O)COCCO 1458a_100000708028_200000210301 [1,0,0,0,0,0|2,0,1]=4 543 B7R0.4 CC(=O)COCCO 34a_100000211253_100000211926 [1,0,0,0,0,0|2,0,1]=4 544 B7R0.4 CC(=O)NCCC#N 11a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 545 B7R0.4 CC(=O)NCCC#N 1626a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 546 B7R0.4 CC(=O)NCCC#N 240690a_100000720768_100015343762 [1,0,0,0,0,0|2,0,1]=4 547 B7R0.4 CC(=O)NCCC#N 527a_100000720768_100103153847 [1,0,0,0,0,0|2,0,1]=4 548 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 549 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 550 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|2,0,0]=3 551 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|2,0,0]=3 552 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|2,0,0]=3 553 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|2,0,0]=3 554 B7R0.4 CC(=O)NCCN[13CH3] 2230a_100000209853_200025704644 [1,0,0,0,0,0|2,0,0]=3 555 B7R0.4 CC(=O)NCCO[13CH3] 34a_100000158858_200025704644 [1,0,0,0,0,0|2,0,0]=3 556 B7R0.4 CC(=O)NCCS[13CH3] 62a_100000189650_200025704644 [1,0,0,0,0,0|2,0,0]=3 557 B7R0.4 CC(=O)NCCS[13CH3] 62a_200025704644_100000189650 [1,0,0,0,0,0|2,0,0]=3 558 B7R0.4 CC(=O)NNCCO 22a_100000210001_100000070787 [1,0,0,0,0,0|3,0,0]=4 559 B7R0.4 CC(=O)OCCS[13CH3] 62a_100009814007_200025704644 [1,0,0,0,0,0|2,0,0]=3 560 B7R0.4 CC(=O)OCCS[13CH3] 62a_200025704644_100009814007 [1,0,0,0,0,0|2,0,0]=3 561 B7R0.4 CC(=O)OCSCF 62a_100000076356_100015361967 [1,0,0,0,0,0|3,0,0]=4 562 B7R0.4 CC(=O)OCSCF 62a_100015361967_100000076356 [1,0,0,0,0,0|3,0,0]=4 563 B7R0.4 CC/C=C/CC(=O)C 1458a_100016274230_200000210301 [1,0,0,0,0,0|0,0,3]=4 564 B7R0.4 CC/C=C/CC(=O)[13CH3] 1458a_100016274230_200025704644 [1,0,0,0,0,0|0,0,3]=4 565 B7R0.4 CC/C=C\CC(=O)C 1458a_100000070787_100103147603 [1,0,0,0,0,0|0,0,3]=4 566 B7R0.4 CCC#CCC(=O)C 1458a_100000070787_100009813939 [1,0,0,0,0,0|0,0,3]=4 567 B7R0.4 CCC=NNC(=O)C 4a_100000189765_100000210100 [1,0,0,0,0,0|2,0,1]=4 568 B7R0.4 CCCC#CC(=O)C 1458a_200011218047_200000210301 [1,0,0,0,0,0|0,0,2]=3 569 B7R0.4 CCCC#CC(=O)[13CH3] 1458a_200011218047_200025704644 [1,0,0,0,0,0|0,0,2]=3 570 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|0,0,1]=2 571 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|0,0,1]=2 572 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|0,0,1]=2 573 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|0,0,1]=2 574 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|0,0,1]=2 575 B7R0.4 CCCCCN(C)C 2230a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 576 B7R0.4 CCCCCN(C)C 2230a_100102631434_100000210326 [1,0,0,0,0,0|2,0,1]=4 577 B7R0.4 CCCCCN(C)C 269982a_100000223495_200000210301 [1,0,0,0,0,0|2,0,1]=4 578 B7R0.4 CCCCCN(C)C 269982a_100102631434_100000210215 [1,0,0,0,0,0|2,0,1]=4 579 B7R0.4 CCCCCN(C)[13CH3] 2230a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 580 B7R0.4 CCCCCN(C)[13CH3] 269982a_100000223495_200025704644 [1,0,0,0,0,0|2,0,1]=4 581 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 582 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 583 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|1,0,0]=2 584 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|1,0,0]=2 585 B7R0.4 CCCCNC(C)C 2230a_100000102301_100000210206 [1,0,0,0,0,0|2,0,1]=4 586 B7R0.4 CCCCNC(C)C 2230a_100138425928_100000210211 [1,0,0,0,0,0|2,0,1]=4 587 B7R0.4 CCCCNC(C)C 34a_100138425928_100000210210 [1,0,0,0,0,0|2,0,1]=4 588 B7R0.4 CCCCNC(C)C 7a_106832991798_100000210206 [1,0,0,0,0,0|2,0,1]=4 589 B7R0.4 CCCCOC(C)C 34a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 590 B7R0.4 CCCCOC(C)C 34a_100000212225_100000210210 [1,0,0,0,0,0|2,0,1]=4 591 B7R0.4 CCCCOC(C)C 7a_100000210227_100000210206 [1,0,0,0,0,0|2,0,1]=4 592 B7R0.4 CCCCSC(C)C 62a_100000210206_100000210210 [1,0,0,0,0,0|2,0,1]=4 593 B7R0.4 CCCCSC(C)C 62a_100000210211_100000210206 [1,0,0,0,0,0|2,0,1]=4 594 B7R0.4 CCCNCC(=O)N 2230a_100000711301_100000210303 [1,0,0,0,0,0|2,0,1]=4 595 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 596 B7R0.4 CCCNNC(=O)C 22a_100000740057_100000070787 [1,0,0,0,0,0|2,0,0]=3 597 B7R0.4 CCCOCC(=O)C 1458a_100000745993_200000210301 [1,0,0,0,0,0|1,0,1]=3 598 B7R0.4 CCCOCC(=O)C 34a_100000211253_100000210303 [1,0,0,0,0,0|1,0,1]=3 599 B7R0.4 CCCOCC(=O)N 34a_100000210258_100000187820 [1,0,0,0,0,0|2,0,1]=4 600 B7R0.4 CCCOCC(=O)[13CH3] 1458a_100000745993_200025704644 [1,0,0,0,0,0|1,0,1]=3 601 B7R0.4 CCCOCC(=O)[O-] 34a_100000210258_100020667443 [1,0,0,0,0,0|2,0,1]=4 602 B7R0.4 CCCSCC(=O)C 1458a_100000217233_200000210301 [1,0,0,0,0,0|1,0,1]=3 603 B7R0.4 CCCSCC(=O)N 62a_100000210303_100000747473 [1,0,0,0,0,0|2,0,1]=4 604 B7R0.4 CCCSCC(=O)N 62a_100000747473_100000210303 [1,0,0,0,0,0|2,0,1]=4 605 B7R0.4 CCCSCC(=O)[13CH3] 1458a_100000217233_200025704644 [1,0,0,0,0,0|1,0,1]=3 606 B7R0.4 CCCSCC(=O)[O-] 62a_100000210303_100020667443 [1,0,0,0,0,0|2,0,1]=4 607 B7R0.4 CCCSCC(=O)[O-] 62a_100020667443_100000210303 [1,0,0,0,0,0|2,0,1]=4 608 B7R0.4 CCNCC=C(C)C 2230a_100015525214_100000761012 [1,0,0,0,0,0|2,0,0]=3 609 B7R0.4 CCNCC=C(C)C 34a_100000718196_100000210202 [1,0,0,0,0,0|2,0,0]=3 610 B7R0.4 CCNCCC(=O)N 2230a_100015525214_100000744528 [1,0,0,0,0,0|2,0,1]=4 611 B7R0.4 CCOC=CC(=O)C 1458a_100016266692_200000210301 [1,0,0,0,0,0|1,0,1]=3 612 B7R0.4 CCOC=CC(=O)[13CH3] 1458a_100016266692_200025704644 [1,0,0,0,0,0|1,0,1]=3 613 B7R0.4 CCOCC=C(C)C 34a_100000753907_100000210202 [1,0,0,0,0,0|2,0,0]=3 614 B7R0.4 CCOCC=C(C)C 34a_100121572206_100000761012 [1,0,0,0,0,0|2,0,0]=3 615 B7R0.4 CCOCCC(=O)C 1458a_100000070787_100011215890 [1,0,0,0,0,0|1,0,1]=3 616 B7R0.4 CCOCCC(=O)C 1458a_100000749530_200000210301 [1,0,0,0,0,0|1,0,1]=3 617 B7R0.4 CCOCCC(=O)C 34a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 618 B7R0.4 CCOCCC(=O)C 7a_100000759926_100000210202 [1,0,0,0,0,0|1,0,1]=3 619 B7R0.4 CCOCCC(=O)N 34a_100000757172_100000210202 [1,0,0,0,0,0|2,0,1]=4 620 B7R0.4 CCOCCC(=O)N 34a_100121572206_100000731001 [1,0,0,0,0,0|2,0,1]=4 621 B7R0.4 CCOCCC(=O)N 7a_100000757172_100000210202 [1,0,0,0,0,0|2,0,1]=4 622 B7R0.4 CCOCCC(=O)[13CH3] 1458a_100000749530_200025704644 [1,0,0,0,0,0|1,0,1]=3 623 B7R0.4 CCOCOC(=O)C 34a_100121572206_100009813279 [1,0,0,0,0,0|2,0,0]=3 624 B7R0.4 CCSCC=C(C)C 62a_100000210202_100000761012 [1,0,0,0,0,0|2,0,0]=3 625 B7R0.4 CCSCC=C(C)C 62a_100000761012_100000210202 [1,0,0,0,0,0|2,0,0]=3 626 B7R0.4 CCSCCC(=O)C 1458a_100000070787_100000757381 [1,0,0,0,0,0|1,0,1]=3 627 B7R0.4 CCSCCC(=O)C 1458a_100000230768_200000210301 [1,0,0,0,0,0|1,0,1]=3 628 B7R0.4 CCSCCC(=O)C 62a_100000053229_100000210202 [1,0,0,0,0,0|1,0,1]=3 629 B7R0.4 CCSCCC(=O)C 62a_100000210202_100000053229 [1,0,0,0,0,0|1,0,1]=3 630 B7R0.4 CCSCCC(=O)N 62a_100000210202_100000744528 [1,0,0,0,0,0|2,0,1]=4 631 B7R0.4 CCSCCC(=O)N 62a_100000744528_100000210202 [1,0,0,0,0,0|2,0,1]=4 632 B7R0.4 CCSCCC(=O)[13CH3] 1458a_100000230768_200025704644 [1,0,0,0,0,0|1,0,1]=3 633 B7R0.4 CCSCOC(=O)C 62a_100000076356_100000210202 [1,0,0,0,0,0|2,0,0]=3 634 B7R0.4 CCSCOC(=O)C 62a_100000210202_100000076356 [1,0,0,0,0,0|2,0,0]=3 635 B7R0.4 CNCCC=C(C)C 2230a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 636 B7R0.4 CNCCC=C(C)C 34a_100102657272_100011217483 [1,0,0,0,0,0|2,0,0]=3 637 B7R0.4 CNCCC=C(C)C 7a_106832991635_100011217483 [1,0,0,0,0,0|2,0,0]=3 638 B7R0.4 CNCCC=C(F)F 2230a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 639 B7R0.4 CNCCC=C(F)F 34a_100102657272_200009816681 [1,0,0,0,0,0|3,0,0]=4 640 B7R0.4 CNCCC=C(F)F 7a_106832991635_200009816681 [1,0,0,0,0,0|3,0,0]=4 641 B7R0.4 CNCCCC(=O)C 34a_100102657272_100000685027 [1,0,0,0,0,0|1,0,1]=3 642 B7R0.4 CNCCCC(=O)C 7a_106832991635_100011215641 [1,0,0,0,0,0|1,0,1]=3 643 B7R0.4 CNCCCC(=O)N 34a_100000739312_200000210301 [1,0,0,0,0,0|2,0,1]=4 644 B7R0.4 CNCCCC(=O)N 34a_100102657272_100102525003 [1,0,0,0,0,0|2,0,1]=4 645 B7R0.4 CNCCCC(=O)N 7a_106832991635_100102525003 [1,0,0,0,0,0|2,0,1]=4 646 B7R0.4 CNCCCS(=O)C 2230a_200000753449_200000210301 [1,0,0,0,0,0|2,0,1]=4 647 B7R0.4 CNCCNC(=O)C 2230a_100000209853_200000210301 [1,0,0,0,0,0|2,0,0]=3 648 B7R0.4 CNCCNC(=O)C 2230a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 649 B7R0.4 CNCCNC(=O)C 7a_106832991635_100000189650 [1,0,0,0,0,0|2,0,0]=3 650 B7R0.4 CNCCNC(=O)N 2230a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 651 B7R0.4 CNCCNC(=O)N 34a_100020590234_200000210301 [1,0,0,0,0,0|3,0,0]=4 652 B7R0.4 CNCCNC(=O)N 7a_106832991635_200000034859 [1,0,0,0,0,0|3,0,0]=4 653 B7R0.4 CNCCOC(=O)C 34a_100102657272_100009814007 [1,0,0,0,0,0|2,0,0]=3 654 B7R0.4 CNCCOC(=O)C 7a_106832991635_100009814007 [1,0,0,0,0,0|2,0,0]=3 655 B7R0.4 CNCCOC(=O)N 34a_100102657272_200011214921 [1,0,0,0,0,0|3,0,0]=4 656 B7R0.4 CNCCOC(=O)N 7a_106832991635_200011214921 [1,0,0,0,0,0|3,0,0]=4 657 B7R0.4 COCC=CC(=O)C 1458a_100016285016_200000210301 [1,0,0,0,0,0|1,0,1]=3 658 B7R0.4 COCC=CC(=O)[13CH3] 1458a_100016285016_200025704644 [1,0,0,0,0,0|1,0,1]=3 659 B7R0.4 COCCC=C(C)C 34a_100138415774_100011217483 [1,0,0,0,0,0|2,0,0]=3 660 B7R0.4 COCCC=C(F)F 34a_100138415774_200009816681 [1,0,0,0,0,0|3,0,0]=4 661 B7R0.4 COCCCC(=O)C 1458a_100000070787_100000740836 [1,0,0,0,0,0|1,0,1]=3 662 B7R0.4 COCCCC(=O)C 1458a_100000741012_200000210301 [1,0,0,0,0,0|1,0,1]=3 663 B7R0.4 COCCCC(=O)C 34a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 664 B7R0.4 COCCCC(=O)C 34a_100138415774_100000685027 [1,0,0,0,0,0|1,0,1]=3 665 B7R0.4 COCCCC(=O)C 7a_100000759063_200000210301 [1,0,0,0,0,0|1,0,1]=3 666 B7R0.4 COCCCC(=O)N 34a_100138415774_100102525003 [1,0,0,0,0,0|2,0,1]=4 667 B7R0.4 COCCCC(=O)[13CH3] 1458a_100000741012_200025704644 [1,0,0,0,0,0|1,0,1]=3 668 B7R0.4 COCCNC(=O)C 1626a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 669 B7R0.4 COCCNC(=O)C 240690a_100000209980_100015343762 [1,0,0,0,0,0|2,0,0]=3 670 B7R0.4 COCCNC(=O)C 34a_100000158858_200000210301 [1,0,0,0,0,0|2,0,0]=3 671 B7R0.4 COCCNC(=O)C 527a_100000209980_100103153847 [1,0,0,0,0,0|2,0,0]=3 672 B7R0.4 COCCNC(=O)N 34a_100000181757_200000210301 [1,0,0,0,0,0|3,0,0]=4 673 B7R0.4 COCCOC(=O)C 34a_100138415774_100009814007 [1,0,0,0,0,0|2,0,0]=3 674 B7R0.4 COCCOC(=O)N 34a_100138415774_200011214921 [1,0,0,0,0,0|3,0,0]=4 675 B7R0.4 COCCOC(=O)N 7a_100000766696_200000210301 [1,0,0,0,0,0|3,0,0]=4 676 B7R0.4 CS(=O)CCCN[13CH3] 2230a_200000753449_200025704644 [1,0,0,0,0,0|2,0,1]=4 677 B7R0.4 CSCCC=C(C)C 62a_100011217483_200000210301 [1,0,0,0,0,0|2,0,0]=3 678 B7R0.4 CSCCC=C(C)C 62a_200000210301_100011217483 [1,0,0,0,0,0|2,0,0]=3 679 B7R0.4 CSCCC=C(F)F 62a_200000210301_200009816681 [1,0,0,0,0,0|3,0,0]=4 680 B7R0.4 CSCCC=C(F)F 62a_200009816681_200000210301 [1,0,0,0,0,0|3,0,0]=4 681 B7R0.4 CSCCCC(=O)C 1458a_100000173376_200000210301 [1,0,0,0,0,0|1,0,1]=3 682 B7R0.4 CSCCCC(=O)C 62a_100011215641_200000210301 [1,0,0,0,0,0|1,0,1]=3 683 B7R0.4 CSCCCC(=O)C 62a_200000210301_100011215641 [1,0,0,0,0,0|1,0,1]=3 684 B7R0.4 CSCCCC(=O)N 62a_100102525003_200000210301 [1,0,0,0,0,0|2,0,1]=4 685 B7R0.4 CSCCCC(=O)N 62a_200000210301_100102525003 [1,0,0,0,0,0|2,0,1]=4 686 B7R0.4 CSCCCC(=O)[13CH3] 1458a_100000173376_200025704644 [1,0,0,0,0,0|1,0,1]=3 687 B7R0.4 CSCCNC(=O)C 11a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 688 B7R0.4 CSCCNC(=O)C 1626a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 689 B7R0.4 CSCCNC(=O)C 240690a_100020590264_100015343762 [1,0,0,0,0,0|2,0,0]=3 690 B7R0.4 CSCCNC(=O)C 527a_100020590264_100103153847 [1,0,0,0,0,0|2,0,0]=3 691 B7R0.4 CSCCNC(=O)C 62a_100000189650_200000210301 [1,0,0,0,0,0|2,0,0]=3 692 B7R0.4 CSCCNC(=O)C 62a_200000210301_100000189650 [1,0,0,0,0,0|2,0,0]=3 693 B7R0.4 CSCCNC(=O)N 62a_200000034859_200000210301 [1,0,0,0,0,0|3,0,0]=4 694 B7R0.4 CSCCNC(=O)N 62a_200000210301_200000034859 [1,0,0,0,0,0|3,0,0]=4 695 B7R0.4 CSCCOC(=O)C 62a_100009814007_200000210301 [1,0,0,0,0,0|2,0,0]=3 696 B7R0.4 CSCCOC(=O)C 62a_200000210301_100009814007 [1,0,0,0,0,0|2,0,0]=3 697 B7R0.4 CSCCOC(=O)N 62a_200000210301_200011214921 [1,0,0,0,0,0|3,0,0]=4 698 B7R0.4 CSCCOC(=O)N 62a_200011214921_200000210301 [1,0,0,0,0,0|3,0,0]=4 699 B7R0.4 CSCOCC(=O)C 34a_100000211253_100011218213 [1,0,0,0,0,0|2,0,1]=4 700 B7R0.4 [13CH3]C(=O)CCCC#N 1458a_100000075515_200025704644 [1,0,0,0,0,0|1,0,2]=4 701 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|1,0,1]=3 702 B7R0.4 [13CH3]C(=O)COCCO 1458a_100000708028_200025704644 [1,0,0,0,0,0|2,0,1]=4 703 B7R0.4 [13CH3]NCCCC(=O)N 34a_100000739312_200025704644 [1,0,0,0,0,0|2,0,1]=4 704 B7R0.4 [13CH3]NCCNC(=O)N 34a_100020590234_200025704644 [1,0,0,0,0,0|3,0,0]=4 705 B7R0.4 [13CH3]OCCNC(=O)N 34a_100000181757_200025704644 [1,0,0,0,0,0|3,0,0]=4 706 B7R0.4 [13CH3]OCCOC(=O)N 7a_100000766696_200025704644 [1,0,0,0,0,0|3,0,0]=4 707 B7R0.4 [13CH3]SCCC=C(F)F 62a_200009816681_200025704644 [1,0,0,0,0,0|3,0,0]=4 708 B7R0.4 [13CH3]SCCC=C(F)F 62a_200025704644_200009816681 [1,0,0,0,0,0|3,0,0]=4 709 B7R0.4 [13CH3]SCCCC(=O)N 62a_100102525003_200025704644 [1,0,0,0,0,0|2,0,1]=4 710 B7R0.4 [13CH3]SCCCC(=O)N 62a_200025704644_100102525003 [1,0,0,0,0,0|2,0,1]=4 711 B7R0.4 [13CH3]SCCNC(=O)N 62a_200000034859_200025704644 [1,0,0,0,0,0|3,0,0]=4 712 B7R0.4 [13CH3]SCCNC(=O)N 62a_200025704644_200000034859 [1,0,0,0,0,0|3,0,0]=4 713 B7R0.4 [13CH3]SCCOC(=O)N 62a_200011214921_200025704644 [1,0,0,0,0,0|3,0,0]=4 714 B7R0.4 [13CH3]SCCOC(=O)N 62a_200025704644_200011214921 [1,0,0,0,0,0|3,0,0]=4 715 B7R0.5 C#CCC(=O)C(=C)C 1458a_100000185857_100000184674 [1,0,0,0,0,0|1,0,2]=4 716 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|2,0,1]=4 717 B7R0.5 C=C(C)C(=O)CC#N 1458a_100000185857_100011214920 [1,0,0,0,0,0|2,0,1]=4 718 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|1,0,0]=2 719 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|2,0,0]=3 720 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|2,0,0]=3 721 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|2,0,0]=3 722 B7R0.5 C=C(C)C(=O)NNC 22a_100016993582_100000185857 [1,0,0,0,0,0|3,0,0]=4 723 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|2,0,1]=4 724 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|2,0,1]=4 725 B7R0.5 C=CCC(=O)C(=C)C 1458a_100000185857_100000210623 [1,0,0,0,0,0|1,0,2]=4 726 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|1,0,0]=2 727 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|1,0,0]=2 728 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [1,0,0,0,0,0|2,0,1]=4 729 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [1,0,0,0,0,0|2,0,1]=4 730 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [1,0,0,0,0,0|2,0,1]=4 731 B7R0.5 CC(=O)N(C)CCO 240690a_100000210263_100015343762 [1,0,0,0,0,0|3,0,0]=4 732 B7R0.5 CC(=O)N(C)CCO 527a_100000210263_100103153847 [1,0,0,0,0,0|3,0,0]=4 733 B7R0.5 CC(C)C(=O)CCF 1458a_100000210198_100011217306 [1,0,0,0,0,0|2,0,1]=4 734 B7R0.5 CC(C)C(=O)CCO 1458a_100000210198_100000211926 [1,0,0,0,0,0|2,0,1]=4 735 B7R0.5 CC(C)C(=O)CCO 1458a_100011216618_100000210206 [1,0,0,0,0,0|2,0,1]=4 736 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_100000753385_200025704644 [1,0,0,0,0,0|2,0,1]=4 737 B7R0.5 CC(C)C(=O)CS[13CH3] 62a_200025704644_100000753385 [1,0,0,0,0,0|2,0,1]=4 738 B7R0.5 CC(F)C(=O)CCF 1458a_100000062450_100011217306 [1,0,0,0,0,0|2,0,1]=4 739 B7R0.5 CC(F)C(=O)CCO 1458a_100000062450_100000211926 [1,0,0,0,0,0|2,0,1]=4 740 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|1,0,1]=3 741 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|1,0,1]=3 742 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|1,0,1]=3 743 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|1,0,1]=3 744 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|1,0,1]=3 745 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|1,0,2]=4 746 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 747 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 748 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 749 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|2,0,0]=3 750 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|0,0,2]=3 751 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|0,0,2]=3 752 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|1,0,1]=3 753 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|1,0,1]=3 754 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|1,0,1]=3 755 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 756 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 757 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|2,0,0]=3 758 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|2,0,0]=3 759 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|0,0,2]=3 760 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|0,0,2]=3 761 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|1,0,0]=2 762 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|2,0,0]=3 763 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|1,0,0]=2 764 B7R0.5 CCNC(=O)C(C)C 11a_100015525214_100000210198 [1,0,0,0,0,0|2,0,1]=4 765 B7R0.5 CCNC(=O)C(C)C 240690a_100015525214_100000210198 [1,0,0,0,0,0|2,0,1]=4 766 B7R0.5 CCNC(=O)C(C)C 527a_100015525214_100000210198 [1,0,0,0,0,0|2,0,1]=4 767 B7R0.5 CCNC(=O)C(C)F 11a_100015525214_100000062450 [1,0,0,0,0,0|2,0,1]=4 768 B7R0.5 CCNC(=O)C(C)F 240690a_100015525214_100000062450 [1,0,0,0,0,0|2,0,1]=4 769 B7R0.5 CCNC(=O)C(C)F 527a_100015525214_100000062450 [1,0,0,0,0,0|2,0,1]=4 770 B7R0.5 CCNC(=O)N(C)C 2708a_100015525214_100102631434 [1,0,0,0,0,0|3,0,0]=4 771 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|1,0,2]=4 772 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|1,0,2]=4 773 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [1,0,0,0,0,0|2,0,1]=4 774 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [1,0,0,0,0,0|2,0,1]=4 775 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [1,0,0,0,0,0|2,0,1]=4 776 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [1,0,0,0,0,0|2,0,1]=4 777 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [1,0,0,0,0,0|2,0,1]=4 778 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [1,0,0,0,0,0|2,0,1]=4 779 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [1,0,0,0,0,0|2,0,1]=4 780 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [1,0,0,0,0,0|2,0,1]=4 781 B7R0.5 CN(C)C(=O)CCO 240690a_100102631434_100011216618 [1,0,0,0,0,0|3,0,0]=4 782 B7R0.5 CN(C)C(=O)CN[13CH3] 2230a_100015183351_200025704644 [1,0,0,0,0,0|3,0,0]=4 783 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_100000692301_200025704644 [1,0,0,0,0,0|3,0,0]=4 784 B7R0.5 CN(C)C(=O)CS[13CH3] 62a_200025704644_100000692301 [1,0,0,0,0,0|3,0,0]=4 785 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|1,0,0]=2 786 B7R0.5 CNCC(=O)C(C)C 2230a_106832991635_100000753385 [1,0,0,0,0,0|2,0,1]=4 787 B7R0.5 CNCC(=O)C(C)C 34a_100102657272_100000753385 [1,0,0,0,0,0|2,0,1]=4 788 B7R0.5 CNCC(=O)C(C)C 7a_106832991635_100000753385 [1,0,0,0,0,0|2,0,1]=4 789 B7R0.5 CNCC(=O)N(C)C 2230a_100015183351_200000210301 [1,0,0,0,0,0|3,0,0]=4 790 B7R0.5 CNCC(=O)N(C)C 2230a_106832991635_100000185267 [1,0,0,0,0,0|3,0,0]=4 791 B7R0.5 CNCC(=O)N(C)C 34a_100102657272_100000692301 [1,0,0,0,0,0|3,0,0]=4 792 B7R0.5 CNCC(=O)N(C)C 7a_106832991635_100000692301 [1,0,0,0,0,0|3,0,0]=4 793 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,0,0,0,0,0|3,0,0]=4 794 B7R0.5 CO/N=C(\C)/C(=O)C 1458a_100160996864_200000210301 [1,0,0,0,0,0|3,0,0]=4 795 B7R0.5 CO/N=C(\C)/C(=O)[13CH3] 1458a_100160996864_200025704644 [1,0,0,0,0,0|3,0,0]=4 796 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|1,0,0]=2 797 B7R0.5 COCC(=O)C(C)C 1458a_100000210968_100000210206 [1,0,0,0,0,0|2,0,1]=4 798 B7R0.5 COCC(=O)C(C)C 34a_100138415774_100000753385 [1,0,0,0,0,0|2,0,1]=4 799 B7R0.5 COCC(=O)N(C)C 11a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 800 B7R0.5 COCC(=O)N(C)C 1626a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 801 B7R0.5 COCC(=O)N(C)C 240690a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 802 B7R0.5 COCC(=O)N(C)C 34a_100138415774_100000692301 [1,0,0,0,0,0|3,0,0]=4 803 B7R0.5 COCC(=O)N(C)C 527a_100102631434_100000210968 [1,0,0,0,0,0|3,0,0]=4 804 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [1,0,0,0,0,0|2,0,1]=4 805 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [1,0,0,0,0,0|2,0,1]=4 806 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [1,0,0,0,0,0|2,0,1]=4 807 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [1,0,0,0,0,0|2,0,1]=4 808 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [1,0,0,0,0,0|2,0,1]=4 809 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|1,0,0]=2 810 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|1,0,0]=2 811 B7R0.5 CSCC(=O)C(C)C 1458a_100000184570_100000210206 [1,0,0,0,0,0|2,0,1]=4 812 B7R0.5 CSCC(=O)C(C)C 62a_100000753385_200000210301 [1,0,0,0,0,0|2,0,1]=4 813 B7R0.5 CSCC(=O)C(C)C 62a_200000210301_100000753385 [1,0,0,0,0,0|2,0,1]=4 814 B7R0.5 CSCC(=O)N(C)C 11a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 815 B7R0.5 CSCC(=O)N(C)C 1626a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 816 B7R0.5 CSCC(=O)N(C)C 240690a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 817 B7R0.5 CSCC(=O)N(C)C 527a_100102631434_100000184570 [1,0,0,0,0,0|3,0,0]=4 818 B7R0.5 CSCC(=O)N(C)C 62a_100000692301_200000210301 [1,0,0,0,0,0|3,0,0]=4 819 B7R0.5 CSCC(=O)N(C)C 62a_200000210301_100000692301 [1,0,0,0,0,0|3,0,0]=4 820 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [1,0,0,0,0,0|2,0,1]=4 821 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [1,0,0,0,0,0|2,0,1]=4 822 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|1,0,2]=4 823 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|1,0,2]=4 824 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|1,0,2]=4 825 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|1,0,2]=4 826 B9R0.3 CC(C)(C)C(=O)CCCF 1458a_106744555173_100011934791 [0,1,0,0,0,0|2,0,1]=4 827 B9R0.3 CC(C)(C)C(=O)CCCO 1458a_106744555173_100011215043 [0,1,0,0,0,0|2,0,1]=4 828 B9R0.3 CC(C)(F)C(=O)CCCF 1458a_100000765255_100011934791 [0,1,0,0,0,0|2,0,1]=4 829 B9R0.3 CC(C)(F)C(=O)CCCO 1458a_100000765255_100011215043 [0,1,0,0,0,0|2,0,1]=4 830 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,1,0,0,0,0|1,0,2]=4 831 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,1,0,0,0,0|1,0,2]=4 832 B9R0.3 CCCCC(=O)C(C)(C)C 1458a_106744555173_100000210211 [0,1,0,0,0,0|1,0,1]=3 833 B9R0.3 CCCCC(=O)C(C)(C)F 1458a_100000765255_100000210211 [0,1,0,0,0,0|1,0,1]=3 834 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,1,0,0,0,0|0,0,2]=3 835 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100000210183_200000243211 [0,1,0,0,0,0|2,0,1]=4 836 B9R0.3 CCCCC(=O)C(F)(F)F 1458a_100015355933_100000210211 [0,1,0,0,0,0|2,0,1]=4 837 B9R0.3 CCCCN(C)S(=O)(=O)C 40a_100000207549_100000738038 [0,1,0,0,0,0|3,0,0]=4 838 B9R0.3 CCCNC(=O)C(C)(C)C 11a_100020643023_106744555173 [0,1,0,0,0,0|2,0,1]=4 839 B9R0.3 CCCNC(=O)C(C)(C)C 1626a_100020643023_106744555173 [0,1,0,0,0,0|2,0,1]=4 840 B9R0.3 CCCNC(=O)C(C)(C)C 240690a_100020643023_106744555173 [0,1,0,0,0,0|2,0,1]=4 841 B9R0.3 CCCNC(=O)C(C)(C)C 527a_100020643023_106744555173 [0,1,0,0,0,0|2,0,1]=4 842 B9R0.3 CCCNC(=O)C(C)(C)F 11a_100020643023_100000765255 [0,1,0,0,0,0|2,0,1]=4 843 B9R0.3 CCCNC(=O)C(C)(C)F 1626a_100020643023_100000765255 [0,1,0,0,0,0|2,0,1]=4 844 B9R0.3 CCCNC(=O)C(C)(C)F 240690a_100020643023_100000765255 [0,1,0,0,0,0|2,0,1]=4 845 B9R0.3 CCCNC(=O)C(C)(C)F 527a_100020643023_100000765255 [0,1,0,0,0,0|2,0,1]=4 846 B9R0.3 CCCNC(=O)C(C)(C)O 240690a_100020643023_100000242741 [0,1,0,0,0,0|1,0,2]=4 847 B9R0.3 CCCNC(=O)C(C)(F)F 11a_100020643023_100000042251 [0,1,0,0,0,0|2,0,1]=4 848 B9R0.3 CCCNC(=O)C(C)(F)F 1626a_100020643023_100000042251 [0,1,0,0,0,0|2,0,1]=4 849 B9R0.3 CCCNC(=O)C(C)(F)F 240690a_100020643023_100000042251 [0,1,0,0,0,0|2,0,1]=4 850 B9R0.3 CCCNC(=O)C(C)(F)F 527a_100020643023_100000042251 [0,1,0,0,0,0|2,0,1]=4 851 B9R0.3 CCOCC(=O)C(C)(C)C 34a_100121572206_100000229897 [0,1,0,0,0,0|2,0,1]=4 852 B9R0.3 CCOCC(=O)C(C)(C)C 34a_200011592769_100000210202 [0,1,0,0,0,0|2,0,1]=4 853 B9R0.3 CCOCC(=O)C(C)(C)C 7a_200011592769_100000210202 [0,1,0,0,0,0|2,0,1]=4 854 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210202_100000210923 [0,1,0,0,0,0|2,0,1]=4 855 B9R0.3 CCSCC(=O)C(C)(C)C 62a_100000210923_100000210202 [0,1,0,0,0,0|2,0,1]=4 856 B9R0.3 COCCC(=O)C(C)(C)C 1458a_106744555173_100000233755 [0,1,0,0,0,0|2,0,1]=4 857 B9R0.3 COCCC(=O)C(C)(C)F 1458a_100000765255_100000233755 [0,1,0,0,0,0|2,0,1]=4 858 B9R0.3 COCCC(=O)C(C)(C)O 1458a_100000242741_100000233755 [0,1,0,0,0,0|1,0,2]=4 859 B9R0.3 CSCCC(=O)C(C)(C)C 1458a_106744555173_100000751147 [0,1,0,0,0,0|2,0,1]=4 860 B9R0.3 CSCCC(=O)C(C)(C)F 1458a_100000765255_100000751147 [0,1,0,0,0,0|2,0,1]=4 861 B9R0.3 CSCCC(=O)C(C)(C)O 1458a_100000242741_100000751147 [0,1,0,0,0,0|1,0,2]=4 862 B9R0.6 C=C(Br)C(=O)N(C)CCC 11a_100000747261_100009813364 [0,1,0,0,0,0|2,0,1]=4 863 B9R0.6 C=C(Br)C(=O)N(C)CCC 1626a_100000747261_100009813364 [0,1,0,0,0,0|2,0,1]=4 864 B9R0.6 C=C(C)C(=O)C(C)CC#N 1458a_100000185857_100009813641 [0,1,0,0,0,0|2,0,1]=4 865 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,0|1,0,0]=2 866 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,0,0,0,0|2,0,0]=3 867 B9R0.6 C=C(C)C(=O)C(C)COC 1458a_100000185857_100000765312 [0,1,0,0,0,0|2,0,0]=3 868 B9R0.6 C=C(C)C(=O)N(C)CCC 11a_100000747261_100000185857 [0,1,0,0,0,0|2,0,0]=3 869 B9R0.6 C=C(C)C(=O)N(C)CCC 1626a_100000747261_100000185857 [0,1,0,0,0,0|2,0,0]=3 870 B9R0.6 C=C(Cl)C(=O)N(C)CCC 11a_100000747261_100000039160 [0,1,0,0,0,0|2,0,1]=4 871 B9R0.6 C=C(Cl)C(=O)N(C)CCC 1626a_100000747261_100000039160 [0,1,0,0,0,0|2,0,1]=4 872 B9R0.6 C=C(F)C(=O)N(C)CCC 11a_100000747261_100000036797 [0,1,0,0,0,0|2,0,1]=4 873 B9R0.6 C=C(F)C(=O)N(C)CCC 1626a_100000747261_100000036797 [0,1,0,0,0,0|2,0,1]=4 874 B9R0.6 CC(=O)N(C)C(C)CCO 240690a_100000731037_100015343762 [0,1,0,0,0,0|3,0,0]=4 875 B9R0.6 CC(=O)N(C)C(C)CCO 527a_100000731037_100103153847 [0,1,0,0,0,0|3,0,0]=4 876 B9R0.6 CC(C)C(=O)C(C)CCO 1458a_100000210198_100009893172 [0,1,0,0,0,0|2,0,1]=4 877 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,0,0,0,0|1,0,2]=4 878 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,0,0,0,0|1,0,2]=4 879 B9R0.6 CC(F)C(=O)C(C)CCO 1458a_100000062450_100009893172 [0,1,0,0,0,0|2,0,1]=4 880 B9R0.6 CCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210303 [0,1,0,0,0,0|2,0,1]=4 881 B9R0.6 CCCC(=O)C(C)C(=O)C 1458a_100000211992_100000179758 [0,1,0,0,0,0|1,0,2]=4 882 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210198_100000766640 [0,1,0,0,0,0|1,0,1]=3 883 B9R0.6 CCCC(C)C(=O)C(C)C 1458a_100000210906_100000210206 [0,1,0,0,0,0|1,0,1]=3 884 B9R0.6 CCCC(C)C(=O)C(C)F 1458a_100000062450_100000766640 [0,1,0,0,0,0|1,0,1]=3 885 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|1,0,2]=4 886 B9R0.6 CCCC(C)C(=O)N(C)C 11a_100102631434_100000210906 [0,1,0,0,0,0|2,0,0]=3 887 B9R0.6 CCCC(C)C(=O)N(C)C 1626a_100102631434_100000210906 [0,1,0,0,0,0|2,0,0]=3 888 B9R0.6 CCCC(C)C(=O)N(C)C 240690a_100102631434_100000210906 [0,1,0,0,0,0|2,0,0]=3 889 B9R0.6 CCCC(C)C(=O)N(C)C 527a_100102631434_100000210906 [0,1,0,0,0,0|2,0,0]=3 890 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|0,0,2]=3 891 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|0,0,2]=3 892 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,0,0,0,0|2,0,0]=3 893 B9R0.6 CCCN(C)C(=O)C(C)C 11a_100000747261_100000210198 [0,1,0,0,0,0|2,0,1]=4 894 B9R0.6 CCCN(C)C(=O)C(C)C 1626a_100000747261_100000210198 [0,1,0,0,0,0|2,0,1]=4 895 B9R0.6 CCCN(C)C(=O)C(C)C 240690a_100000747261_100000210198 [0,1,0,0,0,0|2,0,1]=4 896 B9R0.6 CCCN(C)C(=O)C(C)C 527a_100000747261_100000210198 [0,1,0,0,0,0|2,0,1]=4 897 B9R0.6 CCCN(C)C(=O)C(C)F 11a_100000747261_100000062450 [0,1,0,0,0,0|2,0,1]=4 898 B9R0.6 CCCN(C)C(=O)C(C)F 1626a_100000747261_100000062450 [0,1,0,0,0,0|2,0,1]=4 899 B9R0.6 CCCN(C)C(=O)C(C)F 240690a_100000747261_100000062450 [0,1,0,0,0,0|2,0,1]=4 900 B9R0.6 CCCN(C)C(=O)C(C)F 527a_100000747261_100000062450 [0,1,0,0,0,0|2,0,1]=4 901 B9R0.6 CCCN(C)C(=O)[C@@H](C)O 240690a_100000747261_100000717761 [0,1,0,0,0,0|1,0,2]=4 902 B9R0.6 CCCN(C)C(=O)[C@H](C)O 1626a_100000747261_217856618621 [0,1,0,0,0,0|1,0,2]=4 903 B9R0.6 CCCN(C)C(=O)[C@H](C)O 240690a_100000747261_217856618621 [0,1,0,0,0,0|1,0,2]=4 904 B9R0.6 CCCN(C)C(C)C(=O)C 2230a_100000747261_100009814033 [0,1,0,0,0,0|2,0,1]=4 905 B9R0.6 CCCN(C)C(C)C(=O)C 269982a_100000747261_100009814033 [0,1,0,0,0,0|2,0,1]=4 906 B9R0.6 CCC[C@H](O)C(=O)C(C)C 1458a_100009822183_100000210206 [0,1,0,0,0,0|1,0,1]=3 907 B9R0.6 CCC[C@H](O)C(=O)N(C)C 240690a_100102631434_100009822183 [0,1,0,0,0,0|2,0,0]=3 908 B9R0.6 CCNC(C)C(=O)C(C)C 2230a_100015525214_100009893295 [0,1,0,0,0,0|2,0,1]=4 909 B9R0.6 CCNC(C)C(=O)N(C)C 2230a_100015525214_100000209910 [0,1,0,0,0,0|3,0,0]=4 910 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 2230a_100000697320_100000210202 [0,1,0,0,0,0|3,0,0]=4 911 B9R0.6 CCN[C@@H](C)C(=O)N(C)C 34a_100000697320_100000210202 [0,1,0,0,0,0|3,0,0]=4 912 B9R0.6 CCOC(C)C(=O)C(C)C 1458a_100000739345_100000210206 [0,1,0,0,0,0|2,0,1]=4 913 B9R0.6 CCOC(C)C(=O)N(C)C 11a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 914 B9R0.6 CCOC(C)C(=O)N(C)C 1626a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 915 B9R0.6 CCOC(C)C(=O)N(C)C 240690a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 916 B9R0.6 CCOC(C)C(=O)N(C)C 527a_100102631434_100000739345 [0,1,0,0,0,0|3,0,0]=4 917 B9R0.6 CCSC(C)C(=O)C(C)C 1458a_100000230601_100000210206 [0,1,0,0,0,0|2,0,1]=4 918 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100000210202_100009893295 [0,1,0,0,0,0|2,0,1]=4 919 B9R0.6 CCSC(C)C(=O)C(C)C 62a_100009893295_100000210202 [0,1,0,0,0,0|2,0,1]=4 920 B9R0.6 CCSC(C)C(=O)N(C)C 11a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 921 B9R0.6 CCSC(C)C(=O)N(C)C 1626a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 922 B9R0.6 CCSC(C)C(=O)N(C)C 240690a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 923 B9R0.6 CCSC(C)C(=O)N(C)C 527a_100102631434_100000230601 [0,1,0,0,0,0|3,0,0]=4 924 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000209910_100000210202 [0,1,0,0,0,0|3,0,0]=4 925 B9R0.6 CCSC(C)C(=O)N(C)C 62a_100000210202_100000209910 [0,1,0,0,0,0|3,0,0]=4 926 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,1,0,0,0,0|3,0,0]=4 927 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000210198_100000765312 [0,1,0,0,0,0|2,0,1]=4 928 B9R0.6 COCC(C)C(=O)C(C)C 1458a_100000751857_100000210206 [0,1,0,0,0,0|2,0,1]=4 929 B9R0.6 COCC(C)C(=O)C(C)F 1458a_100000062450_100000765312 [0,1,0,0,0,0|2,0,1]=4 930 B9R0.6 COCC(C)C(=O)N(C)C 11a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 931 B9R0.6 COCC(C)C(=O)N(C)C 1626a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 932 B9R0.6 COCC(C)C(=O)N(C)C 240690a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 933 B9R0.6 COCC(C)C(=O)N(C)C 527a_100102631434_100000751857 [0,1,0,0,0,0|3,0,0]=4 934 B9R0.6 COCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000765312 [0,1,0,0,0,0|1,0,2]=4 935 B9R0.6 COCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000765312 [0,1,0,0,0,0|1,0,2]=4 936 B9R0.6 CSCC(C)C(=O)C(C)C 1458a_100000753918_100000210206 [0,1,0,0,0,0|2,0,1]=4 937 B9R0.6 CSCC(C)C(=O)N(C)C 11a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 938 B9R0.6 CSCC(C)C(=O)N(C)C 1626a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 939 B9R0.6 CSCC(C)C(=O)N(C)C 240690a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 940 B9R0.6 CSCC(C)C(=O)N(C)C 527a_100102631434_100000753918 [0,1,0,0,0,0|3,0,0]=4 941 B9R0.7 C=C(Br)C(=O)NCC(C)C 11a_100000210953_100009813364 [0,1,0,0,0,0|2,0,1]=4 942 B9R0.7 C=C(Br)C(=O)NCC(C)C 1626a_100000210953_100009813364 [0,1,0,0,0,0|2,0,1]=4 943 B9R0.7 C=C(Br)C(=O)NCC(C)O 11a_100000210904_100009813364 [0,1,0,0,0,0|2,0,1]=4 944 B9R0.7 C=C(C)C(=O)CC=C(C)C 1458a_100000185857_100000761012 [0,1,0,0,0,0|1,0,2]=4 945 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|1,0,0]=2 946 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|1,0,0]=2 947 B9R0.7 C=C(C)C(=O)NCC(=O)C 1458a_100000076187_200000210301 [0,1,0,0,0,0|2,0,1]=4 948 B9R0.7 C=C(C)C(=O)NCC(=O)[13CH3] 1458a_100000076187_200025704644 [0,1,0,0,0,0|2,0,1]=4 949 B9R0.7 C=C(C)C(=O)NCC(C)C 11a_100000210953_100000185857 [0,1,0,0,0,0|2,0,0]=3 950 B9R0.7 C=C(C)C(=O)NCC(C)C 1626a_100000210953_100000185857 [0,1,0,0,0,0|2,0,0]=3 951 B9R0.7 C=C(C)C(=O)NCC(C)O 11a_100000210904_100000185857 [0,1,0,0,0,0|2,0,0]=3 952 B9R0.7 C=C(C)C(=O)NCC(F)F 11a_100000765723_100000185857 [0,1,0,0,0,0|3,0,0]=4 953 B9R0.7 C=C(C)C(=O)NCC(F)F 1626a_100000765723_100000185857 [0,1,0,0,0,0|3,0,0]=4 954 B9R0.7 C=C(C)C(=O)NNC(C)C 22a_100000741168_100000185857 [0,1,0,0,0,0|3,0,0]=4 955 B9R0.7 C=C(C)CCC(=O)C(=C)C 1458a_100000185857_100000730704 [0,1,0,0,0,0|1,0,1]=3 956 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_100000210198_100000730704 [0,1,0,0,0,0|1,0,2]=4 957 B9R0.7 C=C(C)CCC(=O)C(C)C 1458a_200000688413_100000210206 [0,1,0,0,0,0|1,0,2]=4 958 B9R0.7 C=C(C)CCC(=O)C(C)F 1458a_100000062450_100000730704 [0,1,0,0,0,0|1,0,2]=4 959 B9R0.7 C=C(C)CCC(=O)N(C)C 11a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 960 B9R0.7 C=C(C)CCC(=O)N(C)C 1626a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 961 B9R0.7 C=C(C)CCC(=O)N(C)C 240690a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 962 B9R0.7 C=C(C)CCC(=O)N(C)C 527a_100102631434_200000688413 [0,1,0,0,0,0|2,0,1]=4 963 B9R0.7 C=C(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000730704 [0,1,0,0,0,0|0,0,3]=4 964 B9R0.7 C=C(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000730704 [0,1,0,0,0,0|0,0,3]=4 965 B9R0.7 C=C(C)CNC(=O)C(=C)C 11a_100000765925_100000185857 [0,1,0,0,0,0|2,0,1]=4 966 B9R0.7 C=C(C)CNC(=O)C(=C)C 1626a_100000765925_100000185857 [0,1,0,0,0,0|2,0,1]=4 967 B9R0.7 C=C(C)CNC(=O)C(=O)N 240690a_100000765925_100011215815 [0,1,0,0,0,0|2,0,1]=4 968 B9R0.7 C=C(Cl)C(=O)NCC(C)C 11a_100000210953_100000039160 [0,1,0,0,0,0|2,0,1]=4 969 B9R0.7 C=C(Cl)C(=O)NCC(C)C 1626a_100000210953_100000039160 [0,1,0,0,0,0|2,0,1]=4 970 B9R0.7 C=C(Cl)C(=O)NCC(C)O 11a_100000210904_100000039160 [0,1,0,0,0,0|2,0,1]=4 971 B9R0.7 C=C(F)C(=O)NCC(C)C 11a_100000210953_100000036797 [0,1,0,0,0,0|2,0,1]=4 972 B9R0.7 C=C(F)C(=O)NCC(C)C 1626a_100000210953_100000036797 [0,1,0,0,0,0|2,0,1]=4 973 B9R0.7 C=C(F)C(=O)NCC(C)O 11a_100000210904_100000036797 [0,1,0,0,0,0|2,0,1]=4 974 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|1,0,0]=2 975 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|1,0,0]=2 976 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|1,0,0]=2 977 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|1,0,0]=2 978 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|1,0,0]=2 979 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,1,0,0,0,0|1,0,1]=3 980 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [0,1,0,0,0,0|2,0,1]=4 981 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [0,1,0,0,0,0|2,0,1]=4 982 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [0,1,0,0,0,0|2,0,1]=4 983 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [0,1,0,0,0,0|2,0,1]=4 984 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [0,1,0,0,0,0|2,0,1]=4 985 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [0,1,0,0,0,0|2,0,1]=4 986 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [0,1,0,0,0,0|2,0,1]=4 987 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [0,1,0,0,0,0|2,0,1]=4 988 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [0,1,0,0,0,0|2,0,1]=4 989 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [0,1,0,0,0,0|2,0,1]=4 990 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [0,1,0,0,0,0|2,0,1]=4 991 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [0,1,0,0,0,0|2,0,1]=4 992 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [0,1,0,0,0,0|2,0,1]=4 993 B9R0.7 CC(=O)CCC(=O)N(C)C 1458a_100011200748_200000210301 [0,1,0,0,0,0|2,0,1]=4 994 B9R0.7 CC(=O)CCN(C)C(=O)C 1458a_100011216537_200000210301 [0,1,0,0,0,0|2,0,1]=4 995 B9R0.7 CC(=O)N(C)CCC(=O)[13CH3] 1458a_100011216537_200025704644 [0,1,0,0,0,0|2,0,1]=4 996 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 997 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 998 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [0,1,0,0,0,0|2,0,0]=3 999 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [0,1,0,0,0,0|2,0,0]=3 1000 B9R0.7 CC(=O)N(C)CCN(C)C 240690a_100000225618_100015343762 [0,1,0,0,0,0|3,0,0]=4 1001 B9R0.7 CC(=O)N(C)CCN(C)C 527a_100000225618_100103153847 [0,1,0,0,0,0|3,0,0]=4 1002 B9R0.7 CC(C)C(=O)CC[S+](C)C 1458a_100009452791_100000210206 [0,1,0,0,0,0|2,0,1]=4 1003 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000181311_100000210206 [0,1,0,0,0,0|1,0,1]=3 1004 B9R0.7 CC(C)CCC(=O)C(C)C 1458a_100000210198_100000210312 [0,1,0,0,0,0|1,0,1]=3 1005 B9R0.7 CC(C)CCC(=O)C(C)F 1458a_100000062450_100000210312 [0,1,0,0,0,0|1,0,1]=3 1006 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|1,0,2]=4 1007 B9R0.7 CC(C)CCC(=O)N(C)C 11a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 1008 B9R0.7 CC(C)CCC(=O)N(C)C 1626a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 1009 B9R0.7 CC(C)CCC(=O)N(C)C 240690a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 1010 B9R0.7 CC(C)CCC(=O)N(C)C 527a_100102631434_100000181311 [0,1,0,0,0,0|2,0,0]=3 1011 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|0,0,2]=3 1012 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|0,0,2]=3 1013 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,0|2,0,0]=3 1014 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|1,0,0]=2 1015 B9R0.7 CC(C)CNC(=O)C(C)C 11a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 1016 B9R0.7 CC(C)CNC(=O)C(C)C 1626a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 1017 B9R0.7 CC(C)CNC(=O)C(C)C 240690a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 1018 B9R0.7 CC(C)CNC(=O)C(C)C 527a_100000210953_100000210198 [0,1,0,0,0,0|2,0,1]=4 1019 B9R0.7 CC(C)CNC(=O)C(C)F 11a_100000210953_100000062450 [0,1,0,0,0,0|2,0,1]=4 1020 B9R0.7 CC(C)CNC(=O)C(C)F 1626a_100000210953_100000062450 [0,1,0,0,0,0|2,0,1]=4 1021 B9R0.7 CC(C)CNC(=O)C(C)F 240690a_100000210953_100000062450 [0,1,0,0,0,0|2,0,1]=4 1022 B9R0.7 CC(C)CNC(=O)C(C)F 527a_100000210953_100000062450 [0,1,0,0,0,0|2,0,1]=4 1023 B9R0.7 CC(C)CNC(=O)N(C)C 2708a_100000210953_100102631434 [0,1,0,0,0,0|3,0,0]=4 1024 B9R0.7 CC(C)CNC(=O)[C@@H](C)O 240690a_100000210953_100000717761 [0,1,0,0,0,0|1,0,2]=4 1025 B9R0.7 CC(C)CNC(=O)[C@H](C)O 1626a_100000210953_217856618621 [0,1,0,0,0,0|1,0,2]=4 1026 B9R0.7 CC(C)CNC(=O)[C@H](C)O 240690a_100000210953_217856618621 [0,1,0,0,0,0|1,0,2]=4 1027 B9R0.7 CC(C)NCC(=O)C(C)C 2230a_100138425928_100000753385 [0,1,0,0,0,0|2,0,1]=4 1028 B9R0.7 CC(C)NCC(=O)C(C)C 34a_100138425928_100000753385 [0,1,0,0,0,0|2,0,1]=4 1029 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100015183351_100000210206 [0,1,0,0,0,0|3,0,0]=4 1030 B9R0.7 CC(C)NCC(=O)N(C)C 2230a_100138425928_100000185267 [0,1,0,0,0,0|3,0,0]=4 1031 B9R0.7 CC(C)NCC(=O)N(C)C 34a_100138425928_100000692301 [0,1,0,0,0,0|3,0,0]=4 1032 B9R0.7 CC(C)NNC(=O)C(=O)N 22a_100000741168_100011215815 [0,1,0,0,0,0|3,0,0]=4 1033 B9R0.7 CC(C)OCC(=O)C(C)C 1458a_100000745533_100000210206 [0,1,0,0,0,0|2,0,1]=4 1034 B9R0.7 CC(C)OCC(=O)C(C)C 34a_100000212225_100000753385 [0,1,0,0,0,0|2,0,1]=4 1035 B9R0.7 CC(C)OCC(=O)N(C)C 11a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 1036 B9R0.7 CC(C)OCC(=O)N(C)C 1626a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 1037 B9R0.7 CC(C)OCC(=O)N(C)C 240690a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 1038 B9R0.7 CC(C)OCC(=O)N(C)C 34a_100000212225_100000692301 [0,1,0,0,0,0|3,0,0]=4 1039 B9R0.7 CC(C)OCC(=O)N(C)C 527a_100102631434_100000745533 [0,1,0,0,0,0|3,0,0]=4 1040 B9R0.7 CC(C)SCC(=O)C(C)C 1458a_100000241585_100000210206 [0,1,0,0,0,0|2,0,1]=4 1041 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000210206_100000753385 [0,1,0,0,0,0|2,0,1]=4 1042 B9R0.7 CC(C)SCC(=O)C(C)C 62a_100000753385_100000210206 [0,1,0,0,0,0|2,0,1]=4 1043 B9R0.7 CC(C)SCC(=O)N(C)C 11a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 1044 B9R0.7 CC(C)SCC(=O)N(C)C 1626a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 1045 B9R0.7 CC(C)SCC(=O)N(C)C 240690a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 1046 B9R0.7 CC(C)SCC(=O)N(C)C 527a_100102631434_100000241585 [0,1,0,0,0,0|3,0,0]=4 1047 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000210206_100000692301 [0,1,0,0,0,0|3,0,0]=4 1048 B9R0.7 CC(C)SCC(=O)N(C)C 62a_100000692301_100000210206 [0,1,0,0,0,0|3,0,0]=4 1049 B9R0.7 CC(O)CCC(=O)C(C)C 1458a_100000210198_100012276601 [0,1,0,0,0,0|1,0,1]=3 1050 B9R0.7 CC(O)CCC(=O)C(C)F 1458a_100000062450_100012276601 [0,1,0,0,0,0|1,0,1]=3 1051 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|1,0,2]=4 1052 B9R0.7 CC(O)CCC(=O)N(C)C 1626a_100102631434_100000718519 [0,1,0,0,0,0|2,0,0]=3 1053 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|0,0,2]=3 1054 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|0,0,2]=3 1055 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,1,0,0,0,0|2,0,0]=3 1056 B9R0.7 CC(O)CNC(=O)C(C)C 11a_100000210904_100000210198 [0,1,0,0,0,0|2,0,1]=4 1057 B9R0.7 CC(O)CNC(=O)C(C)C 240690a_100000210904_100000210198 [0,1,0,0,0,0|2,0,1]=4 1058 B9R0.7 CC(O)CNC(=O)C(C)C 527a_100000210904_100000210198 [0,1,0,0,0,0|2,0,1]=4 1059 B9R0.7 CC(O)CNC(=O)C(C)F 11a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 1060 B9R0.7 CC(O)CNC(=O)C(C)F 240690a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 1061 B9R0.7 CC(O)CNC(=O)C(C)F 527a_100000210904_100000062450 [0,1,0,0,0,0|2,0,1]=4 1062 B9R0.7 CC(O)CNC(=O)[C@@H](C)O 240690a_100000210904_100000717761 [0,1,0,0,0,0|1,0,2]=4 1063 B9R0.7 CC(O)CNC(=O)[C@H](C)O 240690a_100000210904_217856618621 [0,1,0,0,0,0|1,0,2]=4 1064 B9R0.7 CN(C)C(=O)CCC(=O)[13CH3] 1458a_100011200748_200025704644 [0,1,0,0,0,0|2,0,1]=4 1065 B9R0.7 CN(C)C(=O)CC[S+](C)C 11a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 1066 B9R0.7 CN(C)C(=O)CC[S+](C)C 1626a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 1067 B9R0.7 CN(C)C(=O)CC[S+](C)C 240690a_100102631434_100009452791 [0,1,0,0,0,0|3,0,0]=4 1068 B9R0.7 CN(C)CCC(=O)N(C)C 11a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 1069 B9R0.7 CN(C)CCC(=O)N(C)C 2230a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 1070 B9R0.7 CN(C)CCC(=O)N(C)C 240690a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 1071 B9R0.7 CN(C)CCC(=O)N(C)C 269982a_100102631434_100000737620 [0,1,0,0,0,0|3,0,0]=4 1072 B9R0.7 CN(C)CCC(=O)N(C)C 527a_100102631434_100000689311 [0,1,0,0,0,0|3,0,0]=4 1073 B9R0.7 NC(=O)C(=O)NCC(F)F 240690a_100000765723_100011215815 [0,1,0,0,0,0|3,0,0]=4 1074 B9R0.8 C#CC(=O)C(C)CCCC 1458a_100000211873_200011215066 [0,1,0,0,0,0|1,0,2]=4 1075 B9R0.8 C#CC(C)C(=O)CCCC 1458a_100000210183_200000035995 [0,1,0,0,0,0|1,0,1]=3 1076 B9R0.8 C#CC(C)C(=O)CCOC 1458a_100000749529_200000035995 [0,1,0,0,0,0|2,0,1]=4 1077 B9R0.8 C#CC(C)C(=O)CCSC 1458a_100000174002_200000035995 [0,1,0,0,0,0|2,0,1]=4 1078 B9R0.8 C#CC(C)C(=O)COCC 1458a_100000211967_200000035995 [0,1,0,0,0,0|2,0,1]=4 1079 B9R0.8 C#CC(C)C(=O)CSCC 1458a_100000230394_200000035995 [0,1,0,0,0,0|2,0,1]=4 1080 B9R0.8 C#CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000753159 [0,1,0,0,0,0|1,0,2]=4 1081 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,1,0,0,0,0|0,0,2]=3 1082 B9R0.8 C#CCNC(=O)C(=O)NC 1626a_100000212058_100011218921 [0,1,0,0,0,0|1,0,2]=4 1083 B9R0.8 C#CCNC(=O)C(=O)NC 240690a_100000212058_100011218921 [0,1,0,0,0,0|1,0,2]=4 1084 B9R0.8 C#CCNC(=O)C(=O)NC 527a_100000212058_100011218921 [0,1,0,0,0,0|1,0,2]=4 1085 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 1086 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 1087 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 1088 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,1,0,0,0,0|1,0,2]=4 1089 B9R0.8 C/C=C(\C)/C(=O)CCC#N 1458a_100020587367_100011215226 [0,1,0,0,0,0|2,0,1]=4 1090 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|1,0,0]=2 1091 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,0,0,0,0|2,0,0]=3 1092 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|2,0,0]=3 1093 B9R0.8 C/C=C(\C)/C(=O)CCOC 1458a_100020587367_100000233755 [0,1,0,0,0,0|2,0,0]=3 1094 B9R0.8 C/C=C(\C)/C(=O)CCSC 1458a_100020587367_100000751147 [0,1,0,0,0,0|2,0,0]=3 1095 B9R0.8 C/C=C(\C)/C(=O)NCCC 11a_100020643023_100020587367 [0,1,0,0,0,0|2,0,0]=3 1096 B9R0.8 C/C=C(\C)/C(=O)NCCC 1626a_100020643023_100020587367 [0,1,0,0,0,0|2,0,0]=3 1097 B9R0.8 C/C=C(\C)/C(=O)NCCF 11a_100000724931_100020587367 [0,1,0,0,0,0|3,0,0]=4 1098 B9R0.8 C/C=C(\C)/C(=O)NCCF 1626a_100000724931_100020587367 [0,1,0,0,0,0|3,0,0]=4 1099 B9R0.8 C/C=C(\C)/C(=O)NNCC 22a_100000756455_100020587367 [0,1,0,0,0,0|3,0,0]=4 1100 B9R0.8 C/C=C/CC(=O)/C(=C/C)/C 1458a_100020587367_100102629194 [0,1,0,0,0,0|1,0,2]=4 1101 B9R0.8 C/C=C/CC(=O)C(=O)NC 1458a_100011218921_100102629194 [0,1,0,0,0,0|0,0,2]=3 1102 B9R0.8 C=C(CO)C(=O)NNCC 22a_100000756455_200000705526 [0,1,0,0,0,0|3,0,0]=4 1103 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|2,0,0]=3 1104 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|2,0,0]=3 1105 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|2,0,0]=3 1106 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,1,0,0,0,0|3,0,0]=4 1107 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,1,0,0,0,0|3,0,0]=4 1108 B9R0.8 C=CC(=O)C(C)CCCC 1458a_100000185746_200011215066 [0,1,0,0,0,0|1,0,2]=4 1109 B9R0.8 C=CC(=O)N(C)CCCC 1626a_100000207549_100000185746 [0,1,0,0,0,0|2,0,1]=4 1110 B9R0.8 C=CC(=O)N(C)CCCC 240690a_100000207549_200121576911 [0,1,0,0,0,0|2,0,1]=4 1111 B9R0.8 C=CC(C)C(=O)CCCC 1458a_100011216780_100000210211 [0,1,0,0,0,0|1,0,1]=3 1112 B9R0.8 C=CC(C)C(=O)CCCF 1458a_100011216780_100011934791 [0,1,0,0,0,0|2,0,1]=4 1113 B9R0.8 C=CC(C)C(=O)CCCO 1458a_100011216780_100011215043 [0,1,0,0,0,0|2,0,1]=4 1114 B9R0.8 C=CC(C)C(=O)CCOC 1458a_100011216780_100000233755 [0,1,0,0,0,0|2,0,1]=4 1115 B9R0.8 C=CC(C)C(=O)CCSC 1458a_100011216780_100000751147 [0,1,0,0,0,0|2,0,1]=4 1116 B9R0.8 C=CC(C)C(=O)NCCC 11a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1117 B9R0.8 C=CC(C)C(=O)NCCC 1626a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1118 B9R0.8 C=CC(C)C(=O)NCCC 240690a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1119 B9R0.8 C=CC(C)C(=O)NCCC 527a_100020643023_100011216780 [0,1,0,0,0,0|2,0,1]=4 1120 B9R0.8 C=CCCC(=O)/C(=C/C)/C 1458a_100020587367_100000754431 [0,1,0,0,0,0|1,0,2]=4 1121 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,0,0,0,0|0,0,2]=3 1122 B9R0.8 C=CCNC(=O)C(=O)NC 1626a_100020586998_100011218921 [0,1,0,0,0,0|1,0,2]=4 1123 B9R0.8 C=CCNC(=O)C(=O)NC 240690a_100020586998_100011218921 [0,1,0,0,0,0|1,0,2]=4 1124 B9R0.8 C=CCNC(=O)C(=O)NC 527a_100020586998_100011218921 [0,1,0,0,0,0|1,0,2]=4 1125 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 1126 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 1127 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,0,0,0,0|1,0,2]=4 1128 B9R0.8 CC#CCC(=O)/C(=C/C)/C 1458a_100020587367_100000748600 [0,1,0,0,0,0|1,0,2]=4 1129 B9R0.8 CC#CCC(=O)C(=O)NC 1458a_100011218921_100000748600 [0,1,0,0,0,0|0,0,2]=3 1130 B9R0.8 CC(C#N)C(=O)CCCF 1458a_100000753662_100011934791 [0,1,0,0,0,0|2,0,1]=4 1131 B9R0.8 CC(C#N)C(=O)CCCO 1458a_100000753662_100011215043 [0,1,0,0,0,0|2,0,1]=4 1132 B9R0.8 CC=CCC(=O)/C(=C/C)/C 1458a_100020587367_100000070051 [0,1,0,0,0,0|1,0,2]=4 1133 B9R0.8 CC=CCC(=O)C(=O)NC 1458a_100011218921_100000070051 [0,1,0,0,0,0|0,0,2]=3 1134 B9R0.8 CCC(=O)C(O)CCSC 1458a_100000685904_100000210202 [0,1,0,0,0,0|1,0,2]=4 1135 B9R0.8 CCC(=O)N(C)CCCO 240690a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 1136 B9R0.8 CCC(=O)N(C)CCCO 527a_100000213112_100000210414 [0,1,0,0,0,0|3,0,0]=4 1137 B9R0.8 CCC(=O)N(C)CCOC 11a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 1138 B9R0.8 CCC(=O)N(C)CCOC 1626a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 1139 B9R0.8 CCC(=O)N(C)CCOC 240690a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 1140 B9R0.8 CCC(=O)N(C)CCOC 527a_100000743101_100000210414 [0,1,0,0,0,0|3,0,0]=4 1141 B9R0.8 CCC(=O)N(C)CCSC 11a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1142 B9R0.8 CCC(=O)N(C)CCSC 1626a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1143 B9R0.8 CCC(=O)N(C)CCSC 240690a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1144 B9R0.8 CCC(=O)N(C)CCSC 527a_100000686725_100000210414 [0,1,0,0,0,0|3,0,0]=4 1145 B9R0.8 CCC(C)C(=O)CCCF 1458a_100011192722_100011934791 [0,1,0,0,0,0|2,0,1]=4 1146 B9R0.8 CCC(C)C(=O)CCCO 1458a_100011192722_100011215043 [0,1,0,0,0,0|2,0,1]=4 1147 B9R0.8 CCC(C)C(=O)CCOC 1458a_100000749529_100000758301 [0,1,0,0,0,0|2,0,1]=4 1148 B9R0.8 CCC(C)C(=O)CCOC 1458a_100011192722_100000233755 [0,1,0,0,0,0|2,0,1]=4 1149 B9R0.8 CCC(C)C(=O)CCSC 1458a_100000174002_100000758301 [0,1,0,0,0,0|2,0,1]=4 1150 B9R0.8 CCC(C)C(=O)CCSC 1458a_100011192722_100000751147 [0,1,0,0,0,0|2,0,1]=4 1151 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|1,0,2]=4 1152 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|1,0,2]=4 1153 B9R0.8 CCC(O)C(=O)CCOC 1458a_100011196387_100000233755 [0,1,0,0,0,0|1,0,2]=4 1154 B9R0.8 CCC(O)C(=O)CCSC 1458a_100011196387_100000751147 [0,1,0,0,0,0|1,0,2]=4 1155 B9R0.8 CCC/C=C(\C)/C(=O)CC 1458a_200020648666_100000210202 [0,1,0,0,0,0|1,0,1]=3 1156 B9R0.8 CCC/C=C(\C)/C(=O)CF 1458a_200020648666_100015361967 [0,1,0,0,0,0|1,0,1]=3 1157 B9R0.8 CCC/C=C(\C)/C(=O)NC 11a_106832991635_200020648666 [0,1,0,0,0,0|1,0,1]=3 1158 B9R0.8 CCC/C=C(\C)/C(=O)NC 1626a_100102657272_200020648666 [0,1,0,0,0,0|1,0,1]=3 1159 B9R0.8 CCC/C=C(\C)/C(=O)NC 240690a_100102657272_200020648666 [0,1,0,0,0,0|1,0,1]=3 1160 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|0,0,0]=1 1161 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000210183_100000703298 [0,1,0,0,0,0|1,0,1]=3 1162 B9R0.8 CCCCC(=O)C(C)C#N 1458a_100000753662_100000210211 [0,1,0,0,0,0|1,0,1]=3 1163 B9R0.8 CCCCC(=O)C(C)CC 1458a_100000210183_100000758301 [0,1,0,0,0,0|1,0,1]=3 1164 B9R0.8 CCCCC(=O)C(C)CC 1458a_100011192722_100000210211 [0,1,0,0,0,0|1,0,1]=3 1165 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|0,0,2]=3 1166 B9R0.8 CCCCC(=O)C(C)SC 1458a_100000149566_100000210211 [0,1,0,0,0,0|0,1,1]=3 1167 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|0,0,2]=3 1168 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|0,0,2]=3 1169 B9R0.8 CCCCC(=O)N(C)CC 11a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1170 B9R0.8 CCCCC(=O)N(C)CC 1626a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1171 B9R0.8 CCCCC(=O)N(C)CC 240690a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1172 B9R0.8 CCCCC(=O)N(C)CC 527a_100000225621_100000210183 [0,1,0,0,0,0|2,0,0]=3 1173 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000210414_200011215066 [0,1,0,0,0,0|1,0,1]=3 1174 B9R0.8 CCCCC(C)C(=O)CC 1458a_100000725509_100000210202 [0,1,0,0,0,0|1,0,1]=3 1175 B9R0.8 CCCCC(C)C(=O)CF 1458a_100000725509_100015361967 [0,1,0,0,0,0|1,0,1]=3 1176 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|1,0,1]=3 1177 B9R0.8 CCCCC(C)C(=O)NC 11a_106832991635_100000725509 [0,1,0,0,0,0|1,0,1]=3 1178 B9R0.8 CCCCC(C)C(=O)NC 1626a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1179 B9R0.8 CCCCC(C)C(=O)NC 240690a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1180 B9R0.8 CCCCC(C)C(=O)NC 527a_100102657272_100000725509 [0,1,0,0,0,0|1,0,1]=3 1181 B9R0.8 CCCCC(O)C(=O)CC 1458a_100000720857_100000210202 [0,1,0,0,0,0|0,0,2]=3 1182 B9R0.8 CCCCC(O)C(=O)CF 1458a_100000720857_100015361967 [0,1,0,0,0,0|0,0,2]=3 1183 B9R0.8 CCCCC(O)C(=O)NC 240690a_100102657272_100000720857 [0,1,0,0,0,0|0,0,2]=3 1184 B9R0.8 CCCCC(O)C(=O)NC 527a_100102657272_100000720857 [0,1,0,0,0,0|0,0,2]=3 1185 B9R0.8 CCCCN(C)C(=O)CC 11a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 1186 B9R0.8 CCCCN(C)C(=O)CC 1626a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 1187 B9R0.8 CCCCN(C)C(=O)CC 240690a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 1188 B9R0.8 CCCCN(C)C(=O)CC 527a_100000207549_100000210414 [0,1,0,0,0,0|2,0,0]=3 1189 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 1190 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|2,0,0]=3 1191 B9R0.8 CCCCN(C)C(=O)NC 2708a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 1192 B9R0.8 CCCCN(C)C(=O)NC 273464a_100102657272_100000207549 [0,1,0,0,0,0|2,0,0]=3 1193 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|1,0,0]=2 1194 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|1,0,0]=2 1195 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|1,0,0]=2 1196 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|1,0,0]=2 1197 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|1,0,0]=2 1198 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|1,0,0]=2 1199 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|1,0,0]=2 1200 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|1,0,0]=2 1201 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 1202 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 1203 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 1204 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|1,0,0]=2 1205 B9R0.8 CCCNC(=O)C(C)C#N 11a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 1206 B9R0.8 CCCNC(=O)C(C)C#N 1626a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 1207 B9R0.8 CCCNC(=O)C(C)C#N 240690a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 1208 B9R0.8 CCCNC(=O)C(C)C#N 527a_100020643023_100000753662 [0,1,0,0,0,0|2,0,1]=4 1209 B9R0.8 CCCNC(=O)C(C)CC 11a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 1210 B9R0.8 CCCNC(=O)C(C)CC 1626a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 1211 B9R0.8 CCCNC(=O)C(C)CC 240690a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 1212 B9R0.8 CCCNC(=O)C(C)CC 527a_100020643023_100011192722 [0,1,0,0,0,0|2,0,1]=4 1213 B9R0.8 CCCNC(=O)C(C)NC 2230a_100025744714_200000210301 [0,1,0,0,0,0|2,0,1]=4 1214 B9R0.8 CCCNC(=O)C(C)NC 2230a_106832991635_100000230305 [0,1,0,0,0,0|2,0,1]=4 1215 B9R0.8 CCCNC(=O)C(C)NC 34a_100025744714_200000210301 [0,1,0,0,0,0|2,0,1]=4 1216 B9R0.8 CCCNC(=O)C(C)NC 34a_100102657272_100000230305 [0,1,0,0,0,0|2,0,1]=4 1217 B9R0.8 CCCNC(=O)C(C)NC 7a_106832991635_100000230305 [0,1,0,0,0,0|2,0,1]=4 1218 B9R0.8 CCCNC(=O)C(C)N[13CH3] 2230a_100025744714_200025704644 [0,1,0,0,0,0|2,0,1]=4 1219 B9R0.8 CCCNC(=O)C(C)N[13CH3] 34a_100025744714_200025704644 [0,1,0,0,0,0|2,0,1]=4 1220 B9R0.8 CCCNC(=O)C(C)OC 11a_100020643023_100000743197 [0,1,0,0,0,0|1,0,2]=4 1221 B9R0.8 CCCNC(=O)C(C)OC 1626a_100020643023_100000743197 [0,1,0,0,0,0|1,0,2]=4 1222 B9R0.8 CCCNC(=O)C(C)OC 240690a_100020643023_100000743197 [0,1,0,0,0,0|1,0,2]=4 1223 B9R0.8 CCCNC(=O)C(C)OC 34a_100138415774_100000230305 [0,1,0,0,0,0|1,0,2]=4 1224 B9R0.8 CCCNC(=O)C(C)OC 527a_100020643023_100000743197 [0,1,0,0,0,0|1,0,2]=4 1225 B9R0.8 CCCNC(=O)C(C)SC 11a_100020643023_100000149566 [0,1,0,0,0,0|1,1,1]=4 1226 B9R0.8 CCCNC(=O)C(C)SC 1626a_100020643023_100000149566 [0,1,0,0,0,0|1,1,1]=4 1227 B9R0.8 CCCNC(=O)C(C)SC 240690a_100020643023_100000149566 [0,1,0,0,0,0|1,1,1]=4 1228 B9R0.8 CCCNC(=O)C(C)SC 527a_100020643023_100000149566 [0,1,0,0,0,0|1,1,1]=4 1229 B9R0.8 CCCNC(=O)C(C)SC 62a_100000230305_200000210301 [0,1,0,0,0,0|1,1,1]=4 1230 B9R0.8 CCCNC(=O)C(C)SC 62a_200000210301_100000230305 [0,1,0,0,0,0|1,1,1]=4 1231 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_100000230305_200025704644 [0,1,0,0,0,0|1,1,1]=4 1232 B9R0.8 CCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000230305 [0,1,0,0,0,0|1,1,1]=4 1233 B9R0.8 CCCNC(=O)C(O)CC 240690a_100020643023_100011196387 [0,1,0,0,0,0|1,0,2]=4 1234 B9R0.8 CCCNC(=O)C(O)CO 240690a_100020643023_100011215603 [0,1,0,0,0,0|1,0,2]=4 1235 B9R0.8 CCCNC(=O)N(C)CC 2708a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 1236 B9R0.8 CCCNC(=O)N(C)CC 273464a_100020643023_100000225621 [0,1,0,0,0,0|3,0,0]=4 1237 B9R0.8 CCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1238 B9R0.8 CCCN[C@H](C)C(=O)NC 34a_100000684985_100000210303 [0,1,0,0,0,0|2,0,1]=4 1239 B9R0.8 CCCOC(=O)C(C)NC 2230a_106832991635_100000760410 [0,1,0,0,0,0|2,0,1]=4 1240 B9R0.8 CCCOC(=O)C(C)NC 34a_100102657272_100000760410 [0,1,0,0,0,0|2,0,1]=4 1241 B9R0.8 CCCOC(=O)C(C)NC 7a_106832991635_100000760410 [0,1,0,0,0,0|2,0,1]=4 1242 B9R0.8 CCCOC(=O)C(C)OC 34a_100000037348_200000210301 [0,1,0,0,0,0|1,0,2]=4 1243 B9R0.8 CCCOC(=O)C(C)OC 34a_100138415774_100000760410 [0,1,0,0,0,0|1,0,2]=4 1244 B9R0.8 CCCOC(=O)C(C)OC 7a_100000037348_200000210301 [0,1,0,0,0,0|1,0,2]=4 1245 B9R0.8 CCCOC(=O)C(C)O[13CH3] 34a_100000037348_200025704644 [0,1,0,0,0,0|1,0,2]=4 1246 B9R0.8 CCCOC(=O)C(C)O[13CH3] 7a_100000037348_200025704644 [0,1,0,0,0,0|1,0,2]=4 1247 B9R0.8 CCCOC(=O)C(C)SC 62a_100000760410_200000210301 [0,1,0,0,0,0|1,1,1]=4 1248 B9R0.8 CCCOC(=O)C(C)SC 62a_200000210301_100000760410 [0,1,0,0,0,0|1,1,1]=4 1249 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_100000760410_200025704644 [0,1,0,0,0,0|1,1,1]=4 1250 B9R0.8 CCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000760410 [0,1,0,0,0,0|1,1,1]=4 1251 B9R0.8 CCCOC(C)C(=O)NC 34a_100000210258_100000731044 [0,1,0,0,0,0|2,0,1]=4 1252 B9R0.8 CCCOC(C)C(=O)OC 34a_100000210258_100000211248 [0,1,0,0,0,0|2,0,1]=4 1253 B9R0.8 CCCOC(C)C(=O)OC 34a_100011215400_100000210303 [0,1,0,0,0,0|2,0,1]=4 1254 B9R0.8 CCCOC(F)C(=O)NC 34a_100000210258_100009813575 [0,1,0,0,0,0|2,0,1]=4 1255 B9R0.8 CCCSC(C)C(=O)CC 62a_100000210303_100000742827 [0,1,0,0,0,0|2,0,1]=4 1256 B9R0.8 CCCSC(C)C(=O)CC 62a_100000742827_100000210303 [0,1,0,0,0,0|2,0,1]=4 1257 B9R0.8 CCCSC(C)C(=O)NC 62a_100000209862_100000210303 [0,1,0,0,0,0|2,0,1]=4 1258 B9R0.8 CCCSC(C)C(=O)NC 62a_100000210303_100000731044 [0,1,0,0,0,0|2,0,1]=4 1259 B9R0.8 CCCSC(C)C(=O)OC 62a_100000210303_100000211248 [0,1,0,0,0,0|2,0,1]=4 1260 B9R0.8 CCCSC(C)C(=O)OC 62a_100000211248_100000210303 [0,1,0,0,0,0|2,0,1]=4 1261 B9R0.8 CCCSC(F)C(=O)NC 62a_100000210303_100009813575 [0,1,0,0,0,0|2,0,1]=4 1262 B9R0.8 CCCSC(F)C(=O)NC 62a_100009813575_100000210303 [0,1,0,0,0,0|2,0,1]=4 1263 B9R0.8 CCN(C)C(=O)CCOC 11a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 1264 B9R0.8 CCN(C)C(=O)CCOC 1626a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 1265 B9R0.8 CCN(C)C(=O)CCOC 240690a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 1266 B9R0.8 CCN(C)C(=O)CCOC 527a_100000225621_100000749529 [0,1,0,0,0,0|3,0,0]=4 1267 B9R0.8 CCN(C)C(=O)CCSC 11a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 1268 B9R0.8 CCN(C)C(=O)CCSC 1626a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 1269 B9R0.8 CCN(C)C(=O)CCSC 240690a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 1270 B9R0.8 CCN(C)C(=O)CCSC 527a_100000225621_100000174002 [0,1,0,0,0,0|3,0,0]=4 1271 B9R0.8 CCNCC(=O)N(C)CC 2230a_100015525214_100000738999 [0,1,0,0,0,0|3,0,0]=4 1272 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015207273_100000210202 [0,1,0,0,0,0|2,0,1]=4 1273 B9R0.8 CCNCC(=O)N(C)OC 2230a_100015525214_100000764215 [0,1,0,0,0,0|2,0,1]=4 1274 B9R0.8 CCNCC(C)C(=O)NC 2230a_100015187722_100000210202 [0,1,0,0,0,0|2,0,1]=4 1275 B9R0.8 CCNCC(C)C(=O)NC 34a_100015187722_100000210202 [0,1,0,0,0,0|2,0,1]=4 1276 B9R0.8 CCNN=C(C)C(=O)OC 4a_100000756455_100000211753 [0,1,0,0,0,0|3,0,0]=4 1277 B9R0.8 CCNNC(=O)C(=O)NC 22a_100000756455_100011218921 [0,1,0,0,0,0|2,0,0]=3 1278 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|1,0,0]=2 1279 B9R0.8 CCOCC(=O)C(C)C#N 1458a_100000211967_100000703298 [0,1,0,0,0,0|2,0,1]=4 1280 B9R0.8 CCOCC(=O)C(C)CC 1458a_100000211967_100000758301 [0,1,0,0,0,0|2,0,1]=4 1281 B9R0.8 CCOCC(=O)N(C)CC 11a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1282 B9R0.8 CCOCC(=O)N(C)CC 1626a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1283 B9R0.8 CCOCC(=O)N(C)CC 240690a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1284 B9R0.8 CCOCC(=O)N(C)CC 34a_100121572206_100000738999 [0,1,0,0,0,0|3,0,0]=4 1285 B9R0.8 CCOCC(=O)N(C)CC 527a_100000225621_100000211967 [0,1,0,0,0,0|3,0,0]=4 1286 B9R0.8 CCOCC(C)C(=O)OC 34a_100000749362_100000210202 [0,1,0,0,0,0|2,0,1]=4 1287 B9R0.8 CCOCC(C)C(=O)OC 34a_100121572206_100000698445 [0,1,0,0,0,0|2,0,1]=4 1288 B9R0.8 CCOCC(C)C(=O)OC 7a_100000749362_100000210202 [0,1,0,0,0,0|2,0,1]=4 1289 B9R0.8 CCOCC(F)C(=O)OC 34a_200009849844_100000210202 [0,1,0,0,0,0|2,0,1]=4 1290 B9R0.8 CCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210202 [0,1,0,0,0,0|2,0,1]=4 1291 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|1,0,0]=2 1292 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|1,0,0]=2 1293 B9R0.8 CCSCC(=O)C(C)C#N 1458a_100000230394_100000703298 [0,1,0,0,0,0|2,0,1]=4 1294 B9R0.8 CCSCC(=O)C(C)CC 1458a_100000230394_100000758301 [0,1,0,0,0,0|2,0,1]=4 1295 B9R0.8 CCSCC(=O)N(C)CC 11a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1296 B9R0.8 CCSCC(=O)N(C)CC 1626a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1297 B9R0.8 CCSCC(=O)N(C)CC 240690a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1298 B9R0.8 CCSCC(=O)N(C)CC 527a_100000225621_100000230394 [0,1,0,0,0,0|3,0,0]=4 1299 B9R0.8 CCSCC(=O)N(C)CC 62a_100000210202_100000738999 [0,1,0,0,0,0|3,0,0]=4 1300 B9R0.8 CCSCC(=O)N(C)CC 62a_100000738999_100000210202 [0,1,0,0,0,0|3,0,0]=4 1301 B9R0.8 CCSCC(=O)N(C)OC 62a_100000210202_100000764215 [0,1,0,0,0,0|2,0,1]=4 1302 B9R0.8 CCSCC(=O)N(C)OC 62a_100000764215_100000210202 [0,1,0,0,0,0|2,0,1]=4 1303 B9R0.8 CCSCC(C)C(=O)OC 62a_100000210202_100000698445 [0,1,0,0,0,0|2,0,1]=4 1304 B9R0.8 CCSCC(C)C(=O)OC 62a_100000698445_100000210202 [0,1,0,0,0,0|2,0,1]=4 1305 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 1306 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 1307 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,1,0,0,0,0|1,0,1]=3 1308 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|1,0,0]=2 1309 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|1,0,0]=2 1310 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|1,0,0]=2 1311 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|1,0,0]=2 1312 B9R0.8 CNC(=O)C(=O)NCC#N 1626a_100000734998_100011218921 [0,1,0,0,0,0|2,0,1]=4 1313 B9R0.8 CNC(=O)C(=O)NCC#N 527a_100000734998_100011218921 [0,1,0,0,0,0|2,0,1]=4 1314 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,0,0,0,0|2,0,0]=3 1315 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,0,0,0,0|2,0,0]=3 1316 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,0,0,0,0|2,0,0]=3 1317 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,0,0,0,0|2,0,0]=3 1318 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,0,0,0,0|2,0,0]=3 1319 B9R0.8 CNC(=O)C(O)CCSC 240690a_100102657272_100000685904 [0,1,0,0,0,0|1,0,2]=4 1320 B9R0.8 CNC(=O)N(C)CCCO 2708a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 1321 B9R0.8 CNC(=O)N(C)CCCO 273464a_100102657272_100000213112 [0,1,0,0,0,0|3,0,0]=4 1322 B9R0.8 CNC(=O)N(C)CCOC 2708a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 1323 B9R0.8 CNC(=O)N(C)CCOC 273464a_100102657272_100000743101 [0,1,0,0,0,0|3,0,0]=4 1324 B9R0.8 CNC(=O)N(C)CCSC 2708a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 1325 B9R0.8 CNC(=O)N(C)CCSC 273464a_100102657272_100000686725 [0,1,0,0,0,0|3,0,0]=4 1326 B9R0.8 CNCCC(C)C(=O)OC 2230a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 1327 B9R0.8 CNCCC(C)C(=O)OC 34a_100102657272_100000034942 [0,1,0,0,0,0|2,0,1]=4 1328 B9R0.8 CNCCC(C)C(=O)OC 7a_106832991635_100000034942 [0,1,0,0,0,0|2,0,1]=4 1329 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|2,0,0]=3 1330 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|2,0,0]=3 1331 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,1,0,0,0,0|2,0,1]=4 1332 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,1,0,0,0,0|2,0,1]=4 1333 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1334 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1335 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1336 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 1337 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 1338 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 1339 B9R0.8 COC(=O)C(C)CCSC 62a_100000034942_200000210301 [0,1,0,0,0,0|2,0,1]=4 1340 B9R0.8 COC(=O)C(C)CCSC 62a_200000210301_100000034942 [0,1,0,0,0,0|2,0,1]=4 1341 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_100000034942_200025704644 [0,1,0,0,0,0|2,0,1]=4 1342 B9R0.8 COC(=O)C(C)CCS[13CH3] 62a_200025704644_100000034942 [0,1,0,0,0,0|2,0,1]=4 1343 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|1,0,2]=4 1344 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|1,0,2]=4 1345 B9R0.8 COC(C)C(=O)CCSC 1458a_100000743197_100000751147 [0,1,0,0,0,0|1,0,2]=4 1346 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000749529_100000703298 [0,1,0,0,0,0|2,0,1]=4 1347 B9R0.8 COCCC(=O)C(C)C#N 1458a_100000753662_100000233755 [0,1,0,0,0,0|2,0,1]=4 1348 B9R0.8 COCCC(=O)C(C)OC 1458a_100000743197_100000233755 [0,1,0,0,0,0|1,0,2]=4 1349 B9R0.8 COCCC(=O)C(C)SC 1458a_100000149566_100000233755 [0,1,0,0,0,0|1,1,1]=4 1350 B9R0.8 COCCC(=O)C(O)CO 1458a_100011215603_100000233755 [0,1,0,0,0,0|1,0,2]=4 1351 B9R0.8 COCCC(C)C(=O)OC 34a_100138415774_100000034942 [0,1,0,0,0,0|2,0,1]=4 1352 B9R0.8 COCCN(C)C(=O)CO 240690a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 1353 B9R0.8 COCCN(C)C(=O)CO 527a_100000743101_100000210174 [0,1,0,0,0,0|3,0,0]=4 1354 B9R0.8 CSC(C)C(=O)CCCF 1458a_100000149566_100011934791 [0,1,0,0,0,0|1,1,1]=4 1355 B9R0.8 CSC(C)C(=O)CCCO 1458a_100000149566_100011215043 [0,1,0,0,0,0|1,1,1]=4 1356 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000174002_100000703298 [0,1,0,0,0,0|2,0,1]=4 1357 B9R0.8 CSCCC(=O)C(C)C#N 1458a_100000753662_100000751147 [0,1,0,0,0,0|2,0,1]=4 1358 B9R0.8 CSCCC(=O)C(C)SC 1458a_100000149566_100000751147 [0,1,0,0,0,0|1,1,1]=4 1359 B9R0.8 CSCCC(=O)C(O)CO 1458a_100011215603_100000751147 [0,1,0,0,0,0|1,0,2]=4 1360 B9R0.8 CSCCC(O)C(=O)CF 1458a_100000685904_100015361967 [0,1,0,0,0,0|1,0,2]=4 1361 B9R0.8 CSCCN(C)C(=O)CO 240690a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 1362 B9R0.8 CSCCN(C)C(=O)CO 527a_100000686725_100000210174 [0,1,0,0,0,0|3,0,0]=4 1363 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|1,0,2]=4 1364 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|1,0,2]=4 1365 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [0,1,0,0,0,0|1,0,1]=3 1366 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [0,1,0,0,0,0|1,0,1]=3 1367 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [0,1,0,0,0,0|1,0,1]=3 1368 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [0,1,0,0,0,0|2,0,1]=4 1369 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [0,1,0,0,0,0|2,0,1]=4 1370 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [0,1,0,0,0,0|2,0,1]=4 1371 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [0,1,0,0,0,0|1,0,2]=4 1372 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [0,1,0,0,0,0|1,1,1]=4 1373 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [0,1,0,0,0,0|1,1,1]=4 1374 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [0,1,0,0,0,0|1,1,1]=4 1375 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [0,1,0,0,0,0|1,1,1]=4 1376 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1377 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1378 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [0,1,0,0,0,0|2,0,0]=3 1379 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [0,1,0,0,0,0|2,0,0]=3 1380 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [0,1,0,0,0,0|2,0,1]=4 1381 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [0,1,0,0,0,0|2,0,1]=4 1382 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [0,1,0,0,0,0|2,0,1]=4 1383 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [0,1,0,0,0,0|2,0,1]=4 1384 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1385 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1386 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [0,1,0,0,0,0|3,0,0]=4 1387 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [0,1,0,0,0,0|3,0,0]=4 1388 B9R0.42 C#CC(=O)CC(=O)C(=O)C 1458a_100000211873_100011261029 [0,1,0,0,0,0|0,0,3]=4 1389 B9R0.42 C=C(Br)C(=O)NC(C)CC 11a_100000209981_100009813364 [0,1,0,0,0,0|2,0,1]=4 1390 B9R0.42 C=C(Br)C(=O)NC(C)CC 1626a_100000209981_100009813364 [0,1,0,0,0,0|2,0,1]=4 1391 B9R0.42 C=C(C)C(=O)CC(=O)CC 1458a_100000185857_100000747405 [0,1,0,0,0,0|1,0,1]=3 1392 B9R0.42 C=C(C)C(=O)CC(=O)NC 1458a_100000185857_100000183359 [0,1,0,0,0,0|2,0,1]=4 1393 B9R0.42 C=C(C)C(=O)CC(=O)OC 1458a_100000185857_100000747449 [0,1,0,0,0,0|2,0,1]=4 1394 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,0|1,0,0]=2 1395 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,0,0,0,0|1,0,0]=2 1396 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,0|1,0,0]=2 1397 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,0|2,0,0]=3 1398 B9R0.42 C=C(C)C(=O)NC(C)CC 11a_100000209981_100000185857 [0,1,0,0,0,0|2,0,0]=3 1399 B9R0.42 C=C(C)C(=O)NC(C)CC 1626a_100000209981_100000185857 [0,1,0,0,0,0|2,0,0]=3 1400 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 11a_100102880703_100000185857 [0,1,0,0,0,0|3,0,0]=4 1401 B9R0.42 C=C(C)C(=O)N[C@H](C)CF 1626a_100102880703_100000185857 [0,1,0,0,0,0|3,0,0]=4 1402 B9R0.42 C=C(Cl)C(=O)NC(C)CC 11a_100000209981_100000039160 [0,1,0,0,0,0|2,0,1]=4 1403 B9R0.42 C=C(Cl)C(=O)NC(C)CC 1626a_100000209981_100000039160 [0,1,0,0,0,0|2,0,1]=4 1404 B9R0.42 C=C(F)C(=O)NC(C)CC 11a_100000209981_100000036797 [0,1,0,0,0,0|2,0,1]=4 1405 B9R0.42 C=C(F)C(=O)NC(C)CC 1626a_100000209981_100000036797 [0,1,0,0,0,0|2,0,1]=4 1406 B9R0.42 C=CC(=O)CC(=O)C(=O)C 1458a_100000185746_100011261029 [0,1,0,0,0,0|0,0,3]=4 1407 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|1,0,1]=3 1408 B9R0.42 CC(=O)N(C)CC(O)CO 240690a_100011216503_100015343762 [0,1,0,0,0,0|3,0,0]=4 1409 B9R0.42 CC(=O)N(C)CC(O)CO 527a_100011216503_100103153847 [0,1,0,0,0,0|3,0,0]=4 1410 B9R0.42 CC(C)C(=O)C[C@@H](C)CO 1458a_100000210198_100000059175 [0,1,0,0,0,0|2,0,1]=4 1411 B9R0.42 CC(F)C(=O)C[C@@H](C)CO 1458a_100000062450_100000059175 [0,1,0,0,0,0|2,0,1]=4 1412 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|0,0,1]=2 1413 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747405 [0,1,0,0,0,0|1,0,2]=4 1414 B9R0.42 CCC(=O)CC(=O)C(C)C 1458a_100000210414_100000753385 [0,1,0,0,0,0|1,0,2]=4 1415 B9R0.42 CCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747405 [0,1,0,0,0,0|1,0,2]=4 1416 B9R0.42 CCC(=O)CC(=O)N(C)C 1458a_100000210414_100000185267 [0,1,0,0,0,0|2,0,1]=4 1417 B9R0.42 CCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747405 [0,1,0,0,0,0|0,0,3]=4 1418 B9R0.42 CCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747405 [0,1,0,0,0,0|0,0,3]=4 1419 B9R0.42 CCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210202 [0,1,0,0,0,0|2,0,1]=4 1420 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000210198_100000748023 [0,1,0,0,0,0|1,0,1]=3 1421 B9R0.42 CCC(C)CC(=O)C(C)C 1458a_100000708755_100000210206 [0,1,0,0,0,0|1,0,1]=3 1422 B9R0.42 CCC(C)CC(=O)C(C)F 1458a_100000062450_100000748023 [0,1,0,0,0,0|1,0,1]=3 1423 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|1,0,2]=4 1424 B9R0.42 CCC(C)CC(=O)N(C)C 11a_100102631434_100000708755 [0,1,0,0,0,0|2,0,0]=3 1425 B9R0.42 CCC(C)CC(=O)N(C)C 1626a_100102631434_100000708755 [0,1,0,0,0,0|2,0,0]=3 1426 B9R0.42 CCC(C)CC(=O)N(C)C 240690a_100102631434_100000708755 [0,1,0,0,0,0|2,0,0]=3 1427 B9R0.42 CCC(C)CC(=O)N(C)C 527a_100102631434_100000708755 [0,1,0,0,0,0|2,0,0]=3 1428 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|0,0,2]=3 1429 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|0,0,2]=3 1430 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1431 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1432 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [0,1,0,0,0,0|2,0,0]=3 1433 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [0,1,0,0,0,0|2,0,0]=3 1434 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|1,0,0]=2 1435 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,0|2,0,0]=3 1436 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|1,0,0]=2 1437 B9R0.42 CCC(C)NC(=O)C(C)C 11a_100000209981_100000210198 [0,1,0,0,0,0|2,0,1]=4 1438 B9R0.42 CCC(C)NC(=O)C(C)C 1626a_100000209981_100000210198 [0,1,0,0,0,0|2,0,1]=4 1439 B9R0.42 CCC(C)NC(=O)C(C)C 240690a_100000209981_100000210198 [0,1,0,0,0,0|2,0,1]=4 1440 B9R0.42 CCC(C)NC(=O)C(C)C 527a_100000209981_100000210198 [0,1,0,0,0,0|2,0,1]=4 1441 B9R0.42 CCC(C)NC(=O)C(C)F 11a_100000209981_100000062450 [0,1,0,0,0,0|2,0,1]=4 1442 B9R0.42 CCC(C)NC(=O)C(C)F 1626a_100000209981_100000062450 [0,1,0,0,0,0|2,0,1]=4 1443 B9R0.42 CCC(C)NC(=O)C(C)F 240690a_100000209981_100000062450 [0,1,0,0,0,0|2,0,1]=4 1444 B9R0.42 CCC(C)NC(=O)C(C)F 527a_100000209981_100000062450 [0,1,0,0,0,0|2,0,1]=4 1445 B9R0.42 CCC(C)NC(=O)N(C)C 2708a_100000209981_100102631434 [0,1,0,0,0,0|3,0,0]=4 1446 B9R0.42 CCC(C)NC(=O)[C@@H](C)O 240690a_100000209981_100000717761 [0,1,0,0,0,0|1,0,2]=4 1447 B9R0.42 CCC(C)NC(=O)[C@H](C)O 1626a_100000209981_217856618621 [0,1,0,0,0,0|1,0,2]=4 1448 B9R0.42 CCC(C)NC(=O)[C@H](C)O 240690a_100000209981_217856618621 [0,1,0,0,0,0|1,0,2]=4 1449 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [0,1,0,0,0,0|2,0,1]=4 1450 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [0,1,0,0,0,0|2,0,1]=4 1451 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [0,1,0,0,0,0|2,0,1]=4 1452 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [0,1,0,0,0,0|2,0,1]=4 1453 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [0,1,0,0,0,0|2,0,1]=4 1454 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100000210198_100011218378 [0,1,0,0,0,0|1,0,1]=3 1455 B9R0.42 CCC(O)CC(=O)C(C)C 1458a_100011667805_100000210206 [0,1,0,0,0,0|1,0,1]=3 1456 B9R0.42 CCC(O)CC(=O)C(C)F 1458a_100000062450_100011218378 [0,1,0,0,0,0|1,0,1]=3 1457 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|1,0,2]=4 1458 B9R0.42 CCC(O)CC(=O)N(C)C 1626a_100102631434_100011667805 [0,1,0,0,0,0|2,0,0]=3 1459 B9R0.42 CCC(O)CC(=O)N(C)C 240690a_100102631434_100011667805 [0,1,0,0,0,0|2,0,0]=3 1460 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|0,0,2]=3 1461 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|0,0,2]=3 1462 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,0|1,0,0]=2 1463 B9R0.42 CCN(C)CC(=O)C(C)C 1458a_100116209913_100000210206 [0,1,0,0,0,0|2,0,1]=4 1464 B9R0.42 CCN(C)CC(=O)C(C)C 2230a_100000225621_100000753385 [0,1,0,0,0,0|2,0,1]=4 1465 B9R0.42 CCN(C)CC(=O)C(C)C 269982a_100000225621_100000753385 [0,1,0,0,0,0|2,0,1]=4 1466 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000185065_100000210202 [0,1,0,0,0,0|3,0,0]=4 1467 B9R0.42 CCN(C)CC(=O)N(C)C 2230a_100000225621_100000185267 [0,1,0,0,0,0|3,0,0]=4 1468 B9R0.42 CCN(C)CC(=O)N(C)C 240690a_100102631434_100116209913 [0,1,0,0,0,0|3,0,0]=4 1469 B9R0.42 CCN(C)CC(=O)N(C)C 269982a_100000225621_100000185267 [0,1,0,0,0,0|3,0,0]=4 1470 B9R0.42 CCN(C)CC(=O)N(C)C 527a_100102631434_100116209913 [0,1,0,0,0,0|3,0,0]=4 1471 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [0,1,0,0,0,0|2,0,1]=4 1472 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [0,1,0,0,0,0|2,0,1]=4 1473 B9R0.42 CC[C@H](C)CC(=O)C(C)C 1458a_100000210198_100009816398 [0,1,0,0,0,0|1,0,1]=3 1474 B9R0.42 CC[C@H](C)CC(=O)C(C)F 1458a_100000062450_100009816398 [0,1,0,0,0,0|1,0,1]=3 1475 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|1,0,2]=4 1476 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|0,0,2]=3 1477 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|0,0,2]=3 1478 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,0|1,0,2]=4 1479 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,0|1,0,2]=4 1480 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,0,0,0,0|3,0,0]=4 1481 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,0|3,0,0]=4 1482 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|1,0,1]=3 1483 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000210198_100000731252 [0,1,0,0,0,0|1,0,2]=4 1484 B9R0.47 C#CCCCC(=O)C(C)C 1458a_100000690238_100000210206 [0,1,0,0,0,0|1,0,2]=4 1485 B9R0.47 C#CCCCC(=O)C(C)F 1458a_100000062450_100000731252 [0,1,0,0,0,0|1,0,2]=4 1486 B9R0.47 C#CCCCC(=O)N(C)C 11a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 1487 B9R0.47 C#CCCCC(=O)N(C)C 1626a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 1488 B9R0.47 C#CCCCC(=O)N(C)C 240690a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 1489 B9R0.47 C#CCCCC(=O)N(C)C 527a_100102631434_100000690238 [0,1,0,0,0,0|2,0,1]=4 1490 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|0,0,3]=4 1491 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|0,0,3]=4 1492 B9R0.47 C#CCCNC(=O)C(=C)C 11a_100000755551_100000185857 [0,1,0,0,0,0|1,0,2]=4 1493 B9R0.47 C#CCCNC(=O)C(=C)C 1626a_100000755551_100000185857 [0,1,0,0,0,0|1,0,2]=4 1494 B9R0.47 C#CCCNC(=O)C(=O)N 240690a_100000755551_100011215815 [0,1,0,0,0,0|1,0,2]=4 1495 B9R0.47 C#CCNCC(=O)C(=O)C 34a_100000212058_100011261029 [0,1,0,0,0,0|0,0,2]=3 1496 B9R0.47 C#CCOCC(=O)C(=O)C 34a_100000210247_100011261029 [0,1,0,0,0,0|0,0,2]=3 1497 B9R0.47 C#CCSCC(=O)C(=O)C 62a_100000038162_100011261029 [0,1,0,0,0,0|0,0,2]=3 1498 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|1,0,1]=3 1499 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|1,0,1]=3 1500 B9R0.47 C=C(Br)C(=O)NCCCF 11a_100015189416_100009813364 [0,1,0,0,0,0|2,0,1]=4 1501 B9R0.47 C=C(Br)C(=O)NCCCF 1626a_100015189416_100009813364 [0,1,0,0,0,0|2,0,1]=4 1502 B9R0.47 C=C(Br)C(=O)NCCOC 1626a_100000209980_100009813364 [0,1,0,0,0,0|2,0,1]=4 1503 B9R0.47 C=C(Br)C(=O)NCCSC 11a_100020590264_100009813364 [0,1,0,0,0,0|2,0,1]=4 1504 B9R0.47 C=C(Br)C(=O)NCCSC 1626a_100020590264_100009813364 [0,1,0,0,0,0|2,0,1]=4 1505 B9R0.47 C=C(C)C(=NNCCC)C 4a_100000740057_100011216138 [0,1,0,0,0,0|3,0,0]=4 1506 B9R0.47 C=C(C)C(=O)C/C=C\CC 1458a_100000185857_100103147603 [0,1,0,0,0,0|1,0,1]=3 1507 B9R0.47 C=C(C)C(=O)CC#CCC 1458a_100000185857_100009813939 [0,1,0,0,0,0|1,0,1]=3 1508 B9R0.47 C=C(C)C(=O)CC#CCO 1458a_100000185857_200000047223 [0,1,0,0,0,0|1,0,2]=4 1509 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|1,0,1]=3 1510 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|1,0,0]=2 1511 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|1,0,0]=2 1512 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|1,0,0]=2 1513 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|1,0,0]=2 1514 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|1,0,0]=2 1515 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|1,0,0]=2 1516 B9R0.47 C=C(C)C(=O)NCC#CC 11a_100000685387_100000185857 [0,1,0,0,0,0|1,0,2]=4 1517 B9R0.47 C=C(C)C(=O)NCC#CC 1626a_100000685387_100000185857 [0,1,0,0,0,0|1,0,2]=4 1518 B9R0.47 C=C(C)C(=O)NCCC#N 11a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 1519 B9R0.47 C=C(C)C(=O)NCCC#N 1626a_100000720768_100000185857 [0,1,0,0,0,0|2,0,1]=4 1520 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|1,0,0]=2 1521 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|1,0,0]=2 1522 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|2,0,0]=3 1523 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|2,0,0]=3 1524 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|2,0,0]=3 1525 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|2,0,0]=3 1526 B9R0.47 C=C(C)C(=O)NCCOC 1626a_100000209980_100000185857 [0,1,0,0,0,0|2,0,0]=3 1527 B9R0.47 C=C(C)C(=O)NCCSC 11a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 1528 B9R0.47 C=C(C)C(=O)NCCSC 1626a_100020590264_100000185857 [0,1,0,0,0,0|2,0,0]=3 1529 B9R0.47 C=C(C)C(=O)NNCCC 22a_100000740057_100000185857 [0,1,0,0,0,0|2,0,0]=3 1530 B9R0.47 C=C(C)C(=O)NNCCO 22a_100000210001_100000185857 [0,1,0,0,0,0|3,0,0]=4 1531 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|2,0,0]=3 1532 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|2,0,0]=3 1533 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|2,0,0]=3 1534 B9R0.47 C=C(C)C(=O)OCCOC 34a_100138415774_100009816335 [0,1,0,0,0,0|2,0,0]=3 1535 B9R0.47 C=C(C)C(=O)OCCSC 62a_100009816335_200000210301 [0,1,0,0,0,0|2,0,0]=3 1536 B9R0.47 C=C(C)C(=O)OCCSC 62a_200000210301_100009816335 [0,1,0,0,0,0|2,0,0]=3 1537 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_100009816335_200025704644 [0,1,0,0,0,0|2,0,0]=3 1538 B9R0.47 C=C(C)C(=O)OCCS[13CH3] 62a_200025704644_100009816335 [0,1,0,0,0,0|2,0,0]=3 1539 B9R0.47 C=C(C)C(C)NCCCC 269862a_100000102301_100011216138 [0,1,0,0,0,0|2,0,1]=4 1540 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|1,0,1]=3 1541 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|1,0,1]=3 1542 B9R0.47 C=C(Cl)C(=O)NCCCF 11a_100015189416_100000039160 [0,1,0,0,0,0|2,0,1]=4 1543 B9R0.47 C=C(Cl)C(=O)NCCCF 1626a_100015189416_100000039160 [0,1,0,0,0,0|2,0,1]=4 1544 B9R0.47 C=C(Cl)C(=O)NCCOC 1626a_100000209980_100000039160 [0,1,0,0,0,0|2,0,1]=4 1545 B9R0.47 C=C(Cl)C(=O)NCCSC 11a_100020590264_100000039160 [0,1,0,0,0,0|2,0,1]=4 1546 B9R0.47 C=C(Cl)C(=O)NCCSC 1626a_100020590264_100000039160 [0,1,0,0,0,0|2,0,1]=4 1547 B9R0.47 C=C(Cl)C(=O)NNCCC 22a_100000740057_100000039160 [0,1,0,0,0,0|2,0,1]=4 1548 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|1,0,1]=3 1549 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|1,0,1]=3 1550 B9R0.47 C=C(F)C(=O)NCCCF 11a_100015189416_100000036797 [0,1,0,0,0,0|2,0,1]=4 1551 B9R0.47 C=C(F)C(=O)NCCCF 1626a_100015189416_100000036797 [0,1,0,0,0,0|2,0,1]=4 1552 B9R0.47 C=C(F)C(=O)NCCOC 1626a_100000209980_100000036797 [0,1,0,0,0,0|2,0,1]=4 1553 B9R0.47 C=C(F)C(=O)NCCSC 11a_100020590264_100000036797 [0,1,0,0,0,0|2,0,1]=4 1554 B9R0.47 C=C(F)C(=O)NCCSC 1626a_100020590264_100000036797 [0,1,0,0,0,0|2,0,1]=4 1555 B9R0.47 C=C(F)C(=O)NNCCC 22a_100000740057_100000036797 [0,1,0,0,0,0|2,0,1]=4 1556 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|1,0,1]=3 1557 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000210198_100000757094 [0,1,0,0,0,0|1,0,2]=4 1558 B9R0.47 C=CCCCC(=O)C(C)C 1458a_100000766728_100000210206 [0,1,0,0,0,0|1,0,2]=4 1559 B9R0.47 C=CCCCC(=O)C(C)F 1458a_100000062450_100000757094 [0,1,0,0,0,0|1,0,2]=4 1560 B9R0.47 C=CCCCC(=O)N(C)C 11a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 1561 B9R0.47 C=CCCCC(=O)N(C)C 1626a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 1562 B9R0.47 C=CCCCC(=O)N(C)C 240690a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 1563 B9R0.47 C=CCCCC(=O)N(C)C 527a_100102631434_100000766728 [0,1,0,0,0,0|2,0,1]=4 1564 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|0,0,3]=4 1565 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|0,0,3]=4 1566 B9R0.47 C=CCCNC(=O)C(=C)C 11a_100015191253_100000185857 [0,1,0,0,0,0|1,0,2]=4 1567 B9R0.47 C=CCCNC(=O)C(=C)C 1626a_100015191253_100000185857 [0,1,0,0,0,0|1,0,2]=4 1568 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,1,0,0,0,0|1,0,2]=4 1569 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,1,0,0,0,0|0,0,2]=3 1570 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,1,0,0,0,0|0,0,2]=3 1571 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,1,0,0,0,0|0,0,2]=3 1572 B9R0.47 C=COCCC(=O)C(=C)C 1458a_100000185857_100000039644 [0,1,0,0,0,0|1,0,2]=4 1573 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|1,0,0]=2 1574 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|1,0,0]=2 1575 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|1,0,0]=2 1576 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|1,0,0]=2 1577 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011215382_100011261029 [0,1,0,0,0,0|1,0,1]=3 1578 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011261029_100011215382 [0,1,0,0,0,0|1,0,1]=3 1579 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,1,0,0,0,0|1,0,1]=3 1580 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,1,0,0,0,0|1,0,1]=3 1581 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|1,0,0]=2 1582 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|1,0,0]=2 1583 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|1,0,0]=2 1584 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|1,0,0]=2 1585 B9R0.47 CC(=O)C(C)COCCF 34a_100000032740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1586 B9R0.47 CC(=O)C(C)COCCF 7a_100000032740_100011217306 [0,1,0,0,0,0|2,0,1]=4 1587 B9R0.47 CC(=O)C(C)COCCO 34a_100000032740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1588 B9R0.47 CC(=O)C(C)COCCO 7a_100000032740_100000211926 [0,1,0,0,0,0|2,0,1]=4 1589 B9R0.47 CC(=O)C(C)NCCCF 2230a_100015189416_100009814033 [0,1,0,0,0,0|2,0,1]=4 1590 B9R0.47 CC(=O)C(C)OCCCF 34a_100000212229_100011934791 [0,1,0,0,0,0|2,0,1]=4 1591 B9R0.47 CC(=O)C(C)OCCCO 34a_100000212229_100000230001 [0,1,0,0,0,0|2,0,1]=4 1592 B9R0.47 CC(=O)C(C)SCCCF 62a_100009814033_100011934791 [0,1,0,0,0,0|2,0,1]=4 1593 B9R0.47 CC(=O)C(C)SCCCF 62a_100011934791_100009814033 [0,1,0,0,0,0|2,0,1]=4 1594 B9R0.47 CC(=O)C(C)SCCCO 62a_100009814033_100011215043 [0,1,0,0,0,0|2,0,1]=4 1595 B9R0.47 CC(=O)C(C)SCCCO 62a_100011215043_100009814033 [0,1,0,0,0,0|2,0,1]=4 1596 B9R0.47 CC(=O)N(C)CCCCO 240690a_100000717598_100015343762 [0,1,0,0,0,0|2,0,0]=3 1597 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000075515_100000210206 [0,1,0,0,0,0|1,0,2]=4 1598 B9R0.47 CC(C)C(=O)CCCC#N 1458a_100000210198_100000211468 [0,1,0,0,0,0|1,0,2]=4 1599 B9R0.47 CC(C)C(=O)CCCCF 1458a_100000210198_100000729493 [0,1,0,0,0,0|1,0,1]=3 1600 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000210198_100000210776 [0,1,0,0,0,0|1,0,1]=3 1601 B9R0.47 CC(C)C(=O)CCCCO 1458a_100000695505_100000210206 [0,1,0,0,0,0|1,0,1]=3 1602 B9R0.47 CC(C)C(=O)CNCCF 34a_100000724931_100000753385 [0,1,0,0,0,0|2,0,1]=4 1603 B9R0.47 CC(C)C(=O)CNCCO 2230a_100016997473_100000753385 [0,1,0,0,0,0|2,0,1]=4 1604 B9R0.47 CC(C)C(=O)CNCCO 34a_100016990907_100000753385 [0,1,0,0,0,0|2,0,1]=4 1605 B9R0.47 CC(C)C(=O)COCCBr 34a_100000211926_100000753385 [0,1,0,0,0,0|2,0,1]=4 1606 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|2,0,1]=4 1607 B9R0.47 CC(C)C(=O)COCCO 1458a_100000708028_100000210206 [0,1,0,0,0,0|2,0,1]=4 1608 B9R0.47 CC(C)C(=O)CSCCF 62a_100000753385_100011217306 [0,1,0,0,0,0|2,0,1]=4 1609 B9R0.47 CC(C)C(=O)CSCCF 62a_100011217306_100000753385 [0,1,0,0,0,0|2,0,1]=4 1610 B9R0.47 CC(C)C(=O)CSCCO 62a_100000211926_100000753385 [0,1,0,0,0,0|2,0,1]=4 1611 B9R0.47 CC(C)C(=O)CSCCO 62a_100000753385_100000211926 [0,1,0,0,0,0|2,0,1]=4 1612 B9R0.47 CC(C)C(=O)NCCCF 11a_100015189416_100000210198 [0,1,0,0,0,0|2,0,1]=4 1613 B9R0.47 CC(C)C(=O)NCCCF 1626a_100015189416_100000210198 [0,1,0,0,0,0|2,0,1]=4 1614 B9R0.47 CC(C)C(=O)NCCCF 240690a_100015189416_100000210198 [0,1,0,0,0,0|2,0,1]=4 1615 B9R0.47 CC(C)C(=O)NCCCF 527a_100015189416_100000210198 [0,1,0,0,0,0|2,0,1]=4 1616 B9R0.47 CC(C)C(=O)NCCCO 240690a_100000182051_100000210198 [0,1,0,0,0,0|2,0,1]=4 1617 B9R0.47 CC(C)C(=O)NCCCO 527a_100000182051_100000210198 [0,1,0,0,0,0|2,0,1]=4 1618 B9R0.47 CC(C)C(=O)NCCN[13CH3] 2230a_100000752568_200025704644 [0,1,0,0,0,0|2,0,1]=4 1619 B9R0.47 CC(C)C(=O)NCCN[13CH3] 34a_100000752568_200025704644 [0,1,0,0,0,0|2,0,1]=4 1620 B9R0.47 CC(F)C(=O)CCCC#N 1458a_100000062450_100000211468 [0,1,0,0,0,0|1,0,2]=4 1621 B9R0.47 CC(F)C(=O)CCCCF 1458a_100000062450_100000729493 [0,1,0,0,0,0|1,0,1]=3 1622 B9R0.47 CC(F)C(=O)CCCCO 1458a_100000062450_100000210776 [0,1,0,0,0,0|1,0,1]=3 1623 B9R0.47 CC(F)C(=O)NCCCF 11a_100015189416_100000062450 [0,1,0,0,0,0|2,0,1]=4 1624 B9R0.47 CC(F)C(=O)NCCCF 1626a_100015189416_100000062450 [0,1,0,0,0,0|2,0,1]=4 1625 B9R0.47 CC(F)C(=O)NCCCF 240690a_100015189416_100000062450 [0,1,0,0,0,0|2,0,1]=4 1626 B9R0.47 CC(F)C(=O)NCCCF 527a_100015189416_100000062450 [0,1,0,0,0,0|2,0,1]=4 1627 B9R0.47 CC(F)C(=O)NCCCO 240690a_100000182051_100000062450 [0,1,0,0,0,0|2,0,1]=4 1628 B9R0.47 CC(F)C(=O)NCCCO 527a_100000182051_100000062450 [0,1,0,0,0,0|2,0,1]=4 1629 B9R0.47 CC/C=C/CC(=O)C(C)C 1458a_100016274230_100000210206 [0,1,0,0,0,0|1,0,2]=4 1630 B9R0.47 CC/C=C/CC(=O)N(C)C 11a_100102631434_100016274230 [0,1,0,0,0,0|2,0,1]=4 1631 B9R0.47 CC/C=C/CC(=O)N(C)C 1626a_100102631434_100016274230 [0,1,0,0,0,0|2,0,1]=4 1632 B9R0.47 CC/C=C/CC(=O)N(C)C 240690a_100102631434_100016274230 [0,1,0,0,0,0|2,0,1]=4 1633 B9R0.47 CC/C=C/CC(=O)N(C)C 527a_100102631434_100016274230 [0,1,0,0,0,0|2,0,1]=4 1634 B9R0.47 CC/C=C\CC(=O)C(C)C 1458a_100000210198_100103147603 [0,1,0,0,0,0|1,0,2]=4 1635 B9R0.47 CC/C=C\CC(=O)C(C)F 1458a_100000062450_100103147603 [0,1,0,0,0,0|1,0,2]=4 1636 B9R0.47 CC/C=C\CC(=O)[C@@H](C)O 1458a_100000717761_100103147603 [0,1,0,0,0,0|0,0,3]=4 1637 B9R0.47 CC/C=C\CC(=O)[C@H](C)O 1458a_217856618621_100103147603 [0,1,0,0,0,0|0,0,3]=4 1638 B9R0.47 CCC#CCC(=O)C(C)C 1458a_100000210198_100009813939 [0,1,0,0,0,0|1,0,2]=4 1639 B9R0.47 CCC#CCC(=O)C(C)F 1458a_100000062450_100009813939 [0,1,0,0,0,0|1,0,2]=4 1640 B9R0.47 CCC#CCC(=O)[C@@H](C)O 1458a_100000717761_100009813939 [0,1,0,0,0,0|0,0,3]=4 1641 B9R0.47 CCC#CCC(=O)[C@H](C)O 1458a_217856618621_100009813939 [0,1,0,0,0,0|0,0,3]=4 1642 B9R0.47 CCC=NNC(=O)C(=O)N 4a_100000211141_100000210100 [0,1,0,0,0,0|2,0,1]=4 1643 B9R0.47 CCCC#CC(=O)C(C)C 1458a_200011218047_100000210206 [0,1,0,0,0,0|1,0,2]=4 1644 B9R0.47 CCCC#CC(=O)N(C)C 240690a_100102631434_200011218047 [0,1,0,0,0,0|2,0,1]=4 1645 B9R0.47 CCCC=CC(=O)C(C)C 1458a_100000212230_100000210206 [0,1,0,0,0,0|1,0,2]=4 1646 B9R0.47 CCCC=CC(=O)N(C)C 11a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1647 B9R0.47 CCCC=CC(=O)N(C)C 1626a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1648 B9R0.47 CCCC=CC(=O)N(C)C 240690a_100102631434_100000212230 [0,1,0,0,0,0|2,0,1]=4 1649 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000210198_100000210326 [0,1,0,0,0,0|1,0,1]=3 1650 B9R0.47 CCCCCC(=O)C(C)C 1458a_100000212188_100000210206 [0,1,0,0,0,0|1,0,1]=3 1651 B9R0.47 CCCCCC(=O)C(C)F 1458a_100000062450_100000210326 [0,1,0,0,0,0|1,0,1]=3 1652 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,2]=4 1653 B9R0.47 CCCCCC(=O)N(C)C 11a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 1654 B9R0.47 CCCCCC(=O)N(C)C 1626a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 1655 B9R0.47 CCCCCC(=O)N(C)C 240690a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 1656 B9R0.47 CCCCCC(=O)N(C)C 527a_100102631434_100000212188 [0,1,0,0,0,0|2,0,0]=3 1657 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|0,0,2]=3 1658 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|0,0,2]=3 1659 B9R0.47 CCCCCC(C)C(=O)C 1458a_100000070787_200011218191 [0,1,0,0,0,0|1,0,1]=3 1660 B9R0.47 CCCCCC(C)C(=O)C 1458a_100011215998_200000210301 [0,1,0,0,0,0|1,0,1]=3 1661 B9R0.47 CCCCCC(C)C(=O)[13CH3] 1458a_100011215998_200025704644 [0,1,0,0,0,0|1,0,1]=3 1662 B9R0.47 CCCCCN(C)C(=O)C 11a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1663 B9R0.47 CCCCCN(C)C(=O)C 1626a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1664 B9R0.47 CCCCCN(C)C(=O)C 240690a_100000223495_100015343762 [0,1,0,0,0,0|2,0,0]=3 1665 B9R0.47 CCCCCN(C)C(=O)C 527a_100000223495_100103153847 [0,1,0,0,0,0|2,0,0]=3 1666 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|1,0,0]=2 1667 B9R0.47 CCCCNC(=O)C(C)C 11a_100000102301_100000210198 [0,1,0,0,0,0|1,0,1]=3 1668 B9R0.47 CCCCNC(=O)C(C)C 1626a_100000102301_100000210198 [0,1,0,0,0,0|1,0,1]=3 1669 B9R0.47 CCCCNC(=O)C(C)C 240690a_100000102301_100000210198 [0,1,0,0,0,0|1,0,1]=3 1670 B9R0.47 CCCCNC(=O)C(C)C 527a_100000102301_100000210198 [0,1,0,0,0,0|1,0,1]=3 1671 B9R0.47 CCCCNC(=O)C(C)F 11a_100000102301_100000062450 [0,1,0,0,0,0|1,0,1]=3 1672 B9R0.47 CCCCNC(=O)C(C)F 1626a_100000102301_100000062450 [0,1,0,0,0,0|1,0,1]=3 1673 B9R0.47 CCCCNC(=O)C(C)F 240690a_100000102301_100000062450 [0,1,0,0,0,0|1,0,1]=3 1674 B9R0.47 CCCCNC(=O)C(C)F 527a_100000102301_100000062450 [0,1,0,0,0,0|1,0,1]=3 1675 B9R0.47 CCCCNC(=O)C(F)F 11a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 1676 B9R0.47 CCCCNC(=O)C(F)F 1626a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 1677 B9R0.47 CCCCNC(=O)C(F)F 240690a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 1678 B9R0.47 CCCCNC(=O)C(F)F 527a_100000102301_100000210393 [0,1,0,0,0,0|2,0,1]=4 1679 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|1,0,2]=4 1680 B9R0.47 CCCCNC(=O)N(C)C 2708a_100000102301_100102631434 [0,1,0,0,0,0|2,0,0]=3 1681 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|0,0,2]=3 1682 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|0,0,2]=3 1683 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|0,0,2]=3 1684 B9R0.47 CCCCNC(C)C(=O)C 2230a_100000102301_100009814033 [0,1,0,0,0,0|1,0,1]=3 1685 B9R0.47 CCCCNC(C)C(=O)C 7a_106832991798_100000179758 [0,1,0,0,0,0|1,0,1]=3 1686 B9R0.47 CCCCNC(C)C(=O)N 2230a_100000102301_100000702099 [0,1,0,0,0,0|2,0,1]=4 1687 B9R0.47 CCCCNC(C)C(=O)N 7a_106832991798_100000702099 [0,1,0,0,0,0|2,0,1]=4 1688 B9R0.47 CCCCNC(F)C(=O)N 2230a_100000102301_100009813875 [0,1,0,0,0,0|2,0,1]=4 1689 B9R0.47 CCCCNC(F)C(=O)N 7a_106832991798_100009813875 [0,1,0,0,0,0|2,0,1]=4 1690 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,1]=4 1691 B9R0.47 CCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210211 [0,1,0,0,0,0|2,0,1]=4 1692 B9R0.47 CCCCN[C@H](C)C(=O)N 34a_100000119354_100000210210 [0,1,0,0,0,0|2,0,1]=4 1693 B9R0.47 CCCCOC(C)C(=O)C 34a_100000212229_100000210210 [0,1,0,0,0,0|1,0,1]=3 1694 B9R0.47 CCCCOC(C)C(=O)C 7a_100000210227_100000179758 [0,1,0,0,0,0|1,0,1]=3 1695 B9R0.47 CCCCOC(C)C(=O)N 34a_100000210227_100000702099 [0,1,0,0,0,0|2,0,1]=4 1696 B9R0.47 CCCCOC(C)C(=O)N 7a_100000210227_100000702099 [0,1,0,0,0,0|2,0,1]=4 1697 B9R0.47 CCCCOC(F)C(=O)N 34a_100000210227_100009813875 [0,1,0,0,0,0|2,0,1]=4 1698 B9R0.47 CCCCOC(F)C(=O)N 7a_100000210227_100009813875 [0,1,0,0,0,0|2,0,1]=4 1699 B9R0.47 CCCCOC(F)C(=O)[O-] 34a_100000210227_100020610796 [0,1,0,0,0,0|2,0,1]=4 1700 B9R0.47 CCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210211 [0,1,0,0,0,0|2,0,1]=4 1701 B9R0.47 CCCCO[C@H](C)C(=O)N 34a_100000731257_100000210210 [0,1,0,0,0,0|2,0,1]=4 1702 B9R0.47 CCCCO[C@H](C)C(=O)N 7a_100000731257_100000210211 [0,1,0,0,0,0|2,0,1]=4 1703 B9R0.47 CCCCSC(C)C(=O)C 1458a_100000191163_200000210301 [0,1,0,0,0,0|1,0,1]=3 1704 B9R0.47 CCCCSC(C)C(=O)C 62a_100000210211_100009814033 [0,1,0,0,0,0|1,0,1]=3 1705 B9R0.47 CCCCSC(C)C(=O)C 62a_100009814033_100000210210 [0,1,0,0,0,0|1,0,1]=3 1706 B9R0.47 CCCCSC(C)C(=O)N 62a_100000210211_100000702099 [0,1,0,0,0,0|2,0,1]=4 1707 B9R0.47 CCCCSC(C)C(=O)N 62a_100000702099_100000210210 [0,1,0,0,0,0|2,0,1]=4 1708 B9R0.47 CCCCSC(C)C(=O)[13CH3] 1458a_100000191163_200025704644 [0,1,0,0,0,0|1,0,1]=3 1709 B9R0.47 CCCCSC(F)C(=O)N 62a_100000210211_100009813875 [0,1,0,0,0,0|2,0,1]=4 1710 B9R0.47 CCCCSC(F)C(=O)N 62a_100009813875_100000210210 [0,1,0,0,0,0|2,0,1]=4 1711 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100000210211_100020610796 [0,1,0,0,0,0|2,0,1]=4 1712 B9R0.47 CCCCSC(F)C(=O)[O-] 62a_100020610796_100000210210 [0,1,0,0,0,0|2,0,1]=4 1713 B9R0.47 CCCNCC(=O)N(C)C 2230a_100015183351_100000210303 [0,1,0,0,0,0|2,0,0]=3 1714 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,1]=4 1715 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,1]=4 1716 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,1,0,0,0,0|2,0,0]=3 1717 B9R0.47 CCCNNC(=O)C(C)C 22a_100000740057_100000210198 [0,1,0,0,0,0|2,0,1]=4 1718 B9R0.47 CCCNNC(=O)C(C)F 22a_100000740057_100000062450 [0,1,0,0,0,0|2,0,1]=4 1719 B9R0.47 CCCNNC(=O)[C@@H](C)O 22a_100000740057_100000717761 [0,1,0,0,0,0|1,0,2]=4 1720 B9R0.47 CCCNNC(=O)[C@H](C)O 22a_100000740057_217856618621 [0,1,0,0,0,0|1,0,2]=4 1721 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|0,0,0]=1 1722 B9R0.47 CCCOCC(=O)C(C)C 1458a_100000745993_100000210206 [0,1,0,0,0,0|1,0,1]=3 1723 B9R0.47 CCCOCC(=O)C(C)C 34a_100000210258_100000753385 [0,1,0,0,0,0|1,0,1]=3 1724 B9R0.47 CCCOCC(=O)N(C)C 11a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 1725 B9R0.47 CCCOCC(=O)N(C)C 1626a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 1726 B9R0.47 CCCOCC(=O)N(C)C 240690a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 1727 B9R0.47 CCCOCC(=O)N(C)C 34a_100000210258_100000692301 [0,1,0,0,0,0|2,0,0]=3 1728 B9R0.47 CCCOCC(=O)N(C)C 527a_100102631434_100000745993 [0,1,0,0,0,0|2,0,0]=3 1729 B9R0.47 CCCOCC(C)C(=O)C 34a_100000032740_100000210303 [0,1,0,0,0,0|1,0,1]=3 1730 B9R0.47 CCCOCC(C)C(=O)C 7a_100000032740_100000210303 [0,1,0,0,0,0|1,0,1]=3 1731 B9R0.47 CCCOC[C@H](N)C(=O)N 34a_100000729942_100000210303 [0,1,0,0,0,0|2,0,1]=4 1732 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|0,0,0]=1 1733 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|0,0,0]=1 1734 B9R0.47 CCCSCC(=O)C(C)C 1458a_100000217233_100000210206 [0,1,0,0,0,0|1,0,1]=3 1735 B9R0.47 CCCSCC(=O)C(C)C 62a_100000210303_100000753385 [0,1,0,0,0,0|1,0,1]=3 1736 B9R0.47 CCCSCC(=O)C(C)C 62a_100000753385_100000210303 [0,1,0,0,0,0|1,0,1]=3 1737 B9R0.47 CCCSCC(=O)N(C)C 11a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 1738 B9R0.47 CCCSCC(=O)N(C)C 1626a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 1739 B9R0.47 CCCSCC(=O)N(C)C 240690a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 1740 B9R0.47 CCCSCC(=O)N(C)C 527a_100102631434_100000217233 [0,1,0,0,0,0|2,0,0]=3 1741 B9R0.47 CCCSCC(=O)N(C)C 62a_100000210303_100000692301 [0,1,0,0,0,0|2,0,0]=3 1742 B9R0.47 CCCSCC(=O)N(C)C 62a_100000692301_100000210303 [0,1,0,0,0,0|2,0,0]=3 1743 B9R0.47 CCNCCC(=C(F)F)F 2230a_100015525214_100000036642 [0,1,0,0,0,0|3,0,0]=4 1744 B9R0.47 CCNCCC(=O)N(C)C 2230a_100000738053_100000210202 [0,1,0,0,0,0|2,0,0]=3 1745 B9R0.47 CCNCCC(=O)N(C)C 2230a_100015525214_100000737620 [0,1,0,0,0,0|2,0,0]=3 1746 B9R0.47 CCOCCC(=C(F)F)F 34a_100000068906_100000210202 [0,1,0,0,0,0|3,0,0]=4 1747 B9R0.47 CCOCCC(=C(F)F)F 34a_100121572206_100009813398 [0,1,0,0,0,0|3,0,0]=4 1748 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000210198_100011215890 [0,1,0,0,0,0|1,0,1]=3 1749 B9R0.47 CCOCCC(=O)C(C)C 1458a_100000749530_100000210206 [0,1,0,0,0,0|1,0,1]=3 1750 B9R0.47 CCOCCC(=O)C(C)F 1458a_100000062450_100011215890 [0,1,0,0,0,0|1,0,1]=3 1751 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|1,0,2]=4 1752 B9R0.47 CCOCCC(=O)N(C)C 11a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 1753 B9R0.47 CCOCCC(=O)N(C)C 1626a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 1754 B9R0.47 CCOCCC(=O)N(C)C 240690a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 1755 B9R0.47 CCOCCC(=O)N(C)C 34a_200000747469_100000210202 [0,1,0,0,0,0|2,0,0]=3 1756 B9R0.47 CCOCCC(=O)N(C)C 527a_100102631434_100000749530 [0,1,0,0,0,0|2,0,0]=3 1757 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|0,0,2]=3 1758 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|0,0,2]=3 1759 B9R0.47 CCOCSC(C)C(=O)C 62a_100000739092_100009814033 [0,1,0,0,0,0|2,0,1]=4 1760 B9R0.47 CCOCSC(C)C(=O)C 62a_100009814033_100000739092 [0,1,0,0,0,0|2,0,1]=4 1761 B9R0.47 CCSCCC(=C(F)F)F 62a_100000210202_100009813398 [0,1,0,0,0,0|3,0,0]=4 1762 B9R0.47 CCSCCC(=C(F)F)F 62a_100009813398_100000210202 [0,1,0,0,0,0|3,0,0]=4 1763 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000210198_100000757381 [0,1,0,0,0,0|1,0,1]=3 1764 B9R0.47 CCSCCC(=O)C(C)C 1458a_100000230768_100000210206 [0,1,0,0,0,0|1,0,1]=3 1765 B9R0.47 CCSCCC(=O)C(C)F 1458a_100000062450_100000757381 [0,1,0,0,0,0|1,0,1]=3 1766 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|1,0,2]=4 1767 B9R0.47 CCSCCC(=O)N(C)C 11a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 1768 B9R0.47 CCSCCC(=O)N(C)C 1626a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 1769 B9R0.47 CCSCCC(=O)N(C)C 240690a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 1770 B9R0.47 CCSCCC(=O)N(C)C 527a_100102631434_100000230768 [0,1,0,0,0,0|2,0,0]=3 1771 B9R0.47 CCSCCC(=O)N(C)C 62a_100000210202_100000737620 [0,1,0,0,0,0|2,0,0]=3 1772 B9R0.47 CCSCCC(=O)N(C)C 62a_100000737620_100000210202 [0,1,0,0,0,0|2,0,0]=3 1773 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|0,0,2]=3 1774 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|0,0,2]=3 1775 B9R0.47 CCSCOC(=O)C(C)C 62a_100000139345_100000210202 [0,1,0,0,0,0|2,0,1]=4 1776 B9R0.47 CCSCOC(=O)C(C)C 62a_100000210202_100000139345 [0,1,0,0,0,0|2,0,1]=4 1777 B9R0.47 CN(C)C(=O)CCCC#N 11a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 1778 B9R0.47 CN(C)C(=O)CCCC#N 1626a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 1779 B9R0.47 CN(C)C(=O)CCCC#N 240690a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 1780 B9R0.47 CN(C)C(=O)CCCC#N 527a_100102631434_100000075515 [0,1,0,0,0,0|2,0,1]=4 1781 B9R0.47 CN(C)C(=O)CCCCO 1626a_100102631434_100000695505 [0,1,0,0,0,0|2,0,0]=3 1782 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|2,0,0]=3 1783 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_100000737642_200025704644 [0,1,0,0,0,0|2,0,0]=3 1784 B9R0.47 CN(C)C(=O)CCCS[13CH3] 62a_200025704644_100000737642 [0,1,0,0,0,0|2,0,0]=3 1785 B9R0.47 CN(C)C(=O)CCOCF 34a_200000747469_100015361967 [0,1,0,0,0,0|3,0,0]=4 1786 B9R0.47 CN(C)C(=O)CCSCF 62a_100000737620_100015361967 [0,1,0,0,0,0|3,0,0]=4 1787 B9R0.47 CN(C)C(=O)CCSCF 62a_100015361967_100000737620 [0,1,0,0,0,0|3,0,0]=4 1788 B9R0.47 CN(C)C(=O)CNCCF 2230a_100015183351_100011217306 [0,1,0,0,0,0|3,0,0]=4 1789 B9R0.47 CN(C)C(=O)CNCCF 34a_100000724931_100000692301 [0,1,0,0,0,0|3,0,0]=4 1790 B9R0.47 CN(C)C(=O)CNCCO 2230a_100015183351_100000211926 [0,1,0,0,0,0|3,0,0]=4 1791 B9R0.47 CN(C)C(=O)CNCCO 2230a_100016997473_100000185267 [0,1,0,0,0,0|3,0,0]=4 1792 B9R0.47 CN(C)C(=O)CNCCO 34a_100016990907_100000692301 [0,1,0,0,0,0|3,0,0]=4 1793 B9R0.47 CN(C)C(=O)COCCBr 34a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 1794 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,1,0,0,0,0|3,0,0]=4 1795 B9R0.47 CN(C)C(=O)COCCO 1626a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 1796 B9R0.47 CN(C)C(=O)COCCO 240690a_100102631434_100000708028 [0,1,0,0,0,0|3,0,0]=4 1797 B9R0.47 CN(C)C(=O)CSCCF 62a_100000692301_100011217306 [0,1,0,0,0,0|3,0,0]=4 1798 B9R0.47 CN(C)C(=O)CSCCF 62a_100011217306_100000692301 [0,1,0,0,0,0|3,0,0]=4 1799 B9R0.47 CN(C)C(=O)CSCCO 62a_100000211926_100000692301 [0,1,0,0,0,0|3,0,0]=4 1800 B9R0.47 CN(C)C(=O)CSCCO 62a_100000692301_100000211926 [0,1,0,0,0,0|3,0,0]=4 1801 B9R0.47 CN(C)C(=O)NCCCF 2708a_100015189416_100102631434 [0,1,0,0,0,0|3,0,0]=4 1802 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 1803 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|2,0,0]=3 1804 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|2,0,0]=3 1805 B9R0.47 CNCCNC(=O)C(C)C 2230a_100000752568_200000210301 [0,1,0,0,0,0|2,0,1]=4 1806 B9R0.47 CNCCNC(=O)C(C)C 34a_100000752568_200000210301 [0,1,0,0,0,0|2,0,1]=4 1807 B9R0.47 COCCCC(=C(F)F)F 34a_100000036257_200000210301 [0,1,0,0,0,0|3,0,0]=4 1808 B9R0.47 COCCCC(=O)C(C)C 1458a_100000210198_100000740836 [0,1,0,0,0,0|1,0,1]=3 1809 B9R0.47 COCCCC(=O)C(C)C 1458a_100000741012_100000210206 [0,1,0,0,0,0|1,0,1]=3 1810 B9R0.47 COCCCC(=O)C(C)F 1458a_100000062450_100000740836 [0,1,0,0,0,0|1,0,1]=3 1811 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|1,0,2]=4 1812 B9R0.47 COCCCC(=O)N(C)C 11a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 1813 B9R0.47 COCCCC(=O)N(C)C 1626a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 1814 B9R0.47 COCCCC(=O)N(C)C 240690a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 1815 B9R0.47 COCCCC(=O)N(C)C 527a_100102631434_100000741012 [0,1,0,0,0,0|2,0,0]=3 1816 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|0,0,2]=3 1817 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|0,0,2]=3 1818 B9R0.47 COCCCN(C)C(=O)C 11a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1819 B9R0.47 COCCCN(C)C(=O)C 1626a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1820 B9R0.47 COCCCN(C)C(=O)C 240690a_100000224831_100015343762 [0,1,0,0,0,0|2,0,0]=3 1821 B9R0.47 COCCCN(C)C(=O)C 527a_100000224831_100103153847 [0,1,0,0,0,0|2,0,0]=3 1822 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|2,0,0]=3 1823 B9R0.47 COCCNC(=O)C(C)C 1626a_100000209980_100000210198 [0,1,0,0,0,0|2,0,1]=4 1824 B9R0.47 COCCNC(=O)C(C)C 240690a_100000209980_100000210198 [0,1,0,0,0,0|2,0,1]=4 1825 B9R0.47 COCCNC(=O)C(C)C 527a_100000209980_100000210198 [0,1,0,0,0,0|2,0,1]=4 1826 B9R0.47 COCCNC(=O)C(C)F 1626a_100000209980_100000062450 [0,1,0,0,0,0|2,0,1]=4 1827 B9R0.47 COCCNC(=O)C(C)F 240690a_100000209980_100000062450 [0,1,0,0,0,0|2,0,1]=4 1828 B9R0.47 COCCNC(=O)C(C)F 527a_100000209980_100000062450 [0,1,0,0,0,0|2,0,1]=4 1829 B9R0.47 COCCNC(=O)[C@@H](C)O 240690a_100000209980_100000717761 [0,1,0,0,0,0|1,0,2]=4 1830 B9R0.47 COCCNC(=O)[C@H](C)O 1626a_100000209980_217856618621 [0,1,0,0,0,0|1,0,2]=4 1831 B9R0.47 COCCNC(=O)[C@H](C)O 240690a_100000209980_217856618621 [0,1,0,0,0,0|1,0,2]=4 1832 B9R0.47 COCCNC(C)C(=O)C 2230a_100000209980_100009814033 [0,1,0,0,0,0|2,0,1]=4 1833 B9R0.47 COCCOC(C)C(=O)C 34a_100000212229_100011201679 [0,1,0,0,0,0|2,0,1]=4 1834 B9R0.47 COCCSC(C)C(=O)C 62a_100000233755_100009814033 [0,1,0,0,0,0|2,0,1]=4 1835 B9R0.47 COCCSC(C)C(=O)C 62a_100009814033_100000233755 [0,1,0,0,0,0|2,0,1]=4 1836 B9R0.47 COCNCC(=O)N(C)C 2230a_100015183351_100000766300 [0,1,0,0,0,0|3,0,0]=4 1837 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|1,0,0]=2 1838 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|1,0,0]=2 1839 B9R0.47 COCSCC(=O)C(C)C 62a_100000753385_100000766300 [0,1,0,0,0,0|2,0,1]=4 1840 B9R0.47 COCSCC(=O)C(C)C 62a_100000766300_100000753385 [0,1,0,0,0,0|2,0,1]=4 1841 B9R0.47 COCSCC(=O)N(C)C 62a_100000692301_100000766300 [0,1,0,0,0,0|3,0,0]=4 1842 B9R0.47 COCSCC(=O)N(C)C 62a_100000766300_100000692301 [0,1,0,0,0,0|3,0,0]=4 1843 B9R0.47 CSCCCC(=O)C(C)C 1458a_100000173376_100000210206 [0,1,0,0,0,0|1,0,1]=3 1844 B9R0.47 CSCCCC(=O)N(C)C 11a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 1845 B9R0.47 CSCCCC(=O)N(C)C 1626a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 1846 B9R0.47 CSCCCC(=O)N(C)C 240690a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 1847 B9R0.47 CSCCCC(=O)N(C)C 527a_100102631434_100000173376 [0,1,0,0,0,0|2,0,0]=3 1848 B9R0.47 CSCCCC(=O)N(C)C 62a_100000737642_200000210301 [0,1,0,0,0,0|2,0,0]=3 1849 B9R0.47 CSCCCC(=O)N(C)C 62a_200000210301_100000737642 [0,1,0,0,0,0|2,0,0]=3 1850 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|2,0,0]=3 1851 B9R0.47 CSCCNC(=O)C(C)C 11a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 1852 B9R0.47 CSCCNC(=O)C(C)C 1626a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 1853 B9R0.47 CSCCNC(=O)C(C)C 240690a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 1854 B9R0.47 CSCCNC(=O)C(C)C 527a_100020590264_100000210198 [0,1,0,0,0,0|2,0,1]=4 1855 B9R0.47 CSCCNC(=O)C(C)F 11a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 1856 B9R0.47 CSCCNC(=O)C(C)F 1626a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 1857 B9R0.47 CSCCNC(=O)C(C)F 240690a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 1858 B9R0.47 CSCCNC(=O)C(C)F 527a_100020590264_100000062450 [0,1,0,0,0,0|2,0,1]=4 1859 B9R0.47 CSCCNC(=O)N(C)C 2708a_100020590264_100102631434 [0,1,0,0,0,0|3,0,0]=4 1860 B9R0.47 CSCCNC(=O)[C@@H](C)O 240690a_100020590264_100000717761 [0,1,0,0,0,0|1,0,2]=4 1861 B9R0.47 CSCCNC(=O)[C@H](C)O 1626a_100020590264_217856618621 [0,1,0,0,0,0|1,0,2]=4 1862 B9R0.47 CSCCNC(=O)[C@H](C)O 240690a_100020590264_217856618621 [0,1,0,0,0,0|1,0,2]=4 1863 B9R0.47 CSCCNC(C)C(=O)C 2230a_100020590264_100009814033 [0,1,0,0,0,0|2,0,1]=4 1864 B9R0.47 CSCCOC(C)C(=O)C 34a_100000212229_100000212216 [0,1,0,0,0,0|2,0,1]=4 1865 B9R0.47 CSCCOC(C)C(=O)C 7a_100000230434_100000179758 [0,1,0,0,0,0|2,0,1]=4 1866 B9R0.47 CSCCSC(C)C(=O)C 62a_100000212216_100009814033 [0,1,0,0,0,0|2,0,1]=4 1867 B9R0.47 CSCCSC(C)C(=O)C 62a_100009814033_100000751147 [0,1,0,0,0,0|2,0,1]=4 1868 B9R0.47 CSCNCC(=O)N(C)C 2230a_100015183351_100011218213 [0,1,0,0,0,0|3,0,0]=4 1869 B9R0.47 CSCOCC(C)C(=O)C 34a_100000032740_100011218213 [0,1,0,0,0,0|2,0,1]=4 1870 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|1,0,0]=2 1871 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|1,0,0]=2 1872 B9R0.47 CSCSCC(=O)C(C)C 62a_100000753385_100011218213 [0,1,0,0,0,0|2,0,1]=4 1873 B9R0.47 CSCSCC(=O)C(C)C 62a_100011218213_100000753385 [0,1,0,0,0,0|2,0,1]=4 1874 B9R0.47 CSCSCC(=O)N(C)C 62a_100000692301_100011218213 [0,1,0,0,0,0|3,0,0]=4 1875 B9R0.47 CSCSCC(=O)N(C)C 62a_100011218213_100000692301 [0,1,0,0,0,0|3,0,0]=4 1876 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|0,0,3]=4 1877 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|0,0,2]=3 1878 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|0,0,2]=3 1879 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|1,0,2]=4 1880 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|1,0,2]=4 1881 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|0,0,3]=4 1882 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|0,0,2]=3 1883 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|0,0,2]=3 1884 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|1,0,2]=4 1885 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|1,0,2]=4 1886 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|1,0,2]=4 1887 B9R0.47 N#CCCNC(=O)C(=O)N 240690a_100000720768_100011215815 [0,1,0,0,0,0|2,0,1]=4 1888 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,1,0,0,0,0|2,0,0]=3 1889 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|2,0,0]=3 1890 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,1,0,0,0,0|3,0,0]=4 1891 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|1,0,2]=4 1892 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|1,0,2]=4 1893 B9R0.47 [13CH3]OCCCC(=C(F)F)F 34a_100000036257_200025704644 [0,1,0,0,0,0|3,0,0]=4 1894 B9R0.51 CCCCC(C)(C)C(=O)C 1458a_100011216040_200000210301 [0,1,0,0,0,0|1,0,1]=3 1895 B9R0.51 CCCCC(C)(C)C(=O)[13CH3] 1458a_100011216040_200025704644 [0,1,0,0,0,0|1,0,1]=3 1896 B9R0.51 CCCCC(C)(O)C(=O)C 1458a_100000137666_200000210301 [0,1,0,0,0,0|0,0,2]=3 1897 B9R0.51 CCCCC(C)(O)C(=O)[13CH3] 1458a_100000137666_200025704644 [0,1,0,0,0,0|0,0,2]=3 1898 B9R0.51 CCCCC(F)(F)C(=O)C 1458a_100000100317_200000210301 [0,1,0,0,0,0|1,0,1]=3 1899 B9R0.51 CCCCC(F)(F)C(=O)[13CH3] 1458a_100000100317_200025704644 [0,1,0,0,0,0|1,0,1]=3 1900 B9R0.51 CCCCS(=O)(=O)N(C)C 270084a_100102631434_100000212082 [0,1,0,0,0,0|3,0,0]=4 1901 B9R0.51 CCCCS(=O)(=O)N(C)C 274078a_100102631434_100000212082 [0,1,0,0,0,0|3,0,0]=4 1902 B9R0.51 CCCCS(=O)(=O)N(C)C 40a_100102631434_100000054263 [0,1,0,0,0,0|3,0,0]=4 1903 B9R0.51 CCCOC(C)(C)C(=O)C 34a_100000747739_100000210303 [0,1,0,0,0,0|2,0,1]=4 1904 B9R0.51 CCCOC(C)(C)C(=O)C 7a_100000747739_100000210303 [0,1,0,0,0,0|2,0,1]=4 1905 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000075568_100000210303 [0,1,0,0,0,0|2,0,1]=4 1906 B9R0.51 CCCSC(C)(C)C(=O)C 62a_100000210303_100000075568 [0,1,0,0,0,0|2,0,1]=4 1907 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|1,0,0]=2 1908 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [0,0,0,1,0,0|0,0,2]=3 1909 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|2,0,0]=3 1910 B9R1.6 CC(=O)C1=COCCO1 1458a_100000008702_200000210301 [0,0,0,1,0,0|1,0,2]=4 1911 B9R1.6 CC(=O)C1C=CCCC1 1458a_100000070787_100000751183 [0,0,0,1,0,0|1,0,2]=4 1912 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [0,0,0,1,0,0|1,0,1]=3 1913 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [0,0,0,1,0,0|1,0,1]=3 1914 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [0,0,0,1,0,0|0,0,2]=3 1915 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [0,0,0,1,0,0|2,0,1]=4 1916 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [0,0,0,1,0,0|2,0,1]=4 1917 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [0,0,0,1,0,0|2,0,1]=4 1918 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [0,0,0,1,0,0|2,0,1]=4 1919 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [0,0,0,1,0,0|2,0,1]=4 1920 B9R1.6 CC(=O)C1COCCO1 1458a_100000045528_200000210301 [0,0,0,1,0,0|1,0,2]=4 1921 B9R1.6 CC(=O)C1SCCCS1 1458a_100000028545_200000210301 [0,0,0,1,0,0|1,1,1]=4 1922 B9R1.6 CC(=O)N1CCCOC1 11a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 1923 B9R1.6 CC(=O)N1CCCOC1 240690a_100000131196_100015343762 [0,0,0,1,0,0|3,0,0]=4 1924 B9R1.6 CC(=O)N1CCOCC1 11a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1925 B9R1.6 CC(=O)N1CCOCC1 1626a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1926 B9R1.6 CC(=O)N1CCOCC1 240690a_100015191051_100015343762 [0,0,0,1,0,0|3,0,0]=4 1927 B9R1.6 CC(=O)N1CCOCC1 527a_100015191051_100103153847 [0,0,0,1,0,0|3,0,0]=4 1928 B9R1.6 CC(=O)N1CCSCC1 11a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 1929 B9R1.6 CC(=O)N1CCSCC1 240690a_100000737611_100015343762 [0,0,0,1,0,0|3,0,0]=4 1930 B9R1.6 CC(=O)N1CCSCC1 527a_100000737611_100103153847 [0,0,0,1,0,0|3,0,0]=4 1931 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|1,0,0]=2 1932 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [0,0,0,1,0,0|0,0,2]=3 1933 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|2,0,0]=3 1934 B9R1.6 [13CH3]C(=O)C1=COCCO1 1458a_100000008702_200025704644 [0,0,0,1,0,0|1,0,2]=4 1935 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [0,0,0,1,0,0|1,0,1]=3 1936 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [0,0,0,1,0,0|0,0,2]=3 1937 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [0,0,0,1,0,0|2,0,1]=4 1938 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [0,0,0,1,0,0|2,0,1]=4 1939 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [0,0,0,1,0,0|2,0,1]=4 1940 B9R1.6 [13CH3]C(=O)C1COCCO1 1458a_100000045528_200025704644 [0,0,0,1,0,0|1,0,2]=4 1941 B9R1.6 [13CH3]C(=O)C1SCCCS1 1458a_100000028545_200025704644 [0,0,0,1,0,0|1,1,1]=4 1942 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200009893386_200025704644 [0,0,0,1,0,0|3,0,0]=4 1943 B9R1.23 CC1=CC(OC1=O)S[13CH3] 62a_200025704644_200009893386 [0,0,0,1,0,0|3,0,0]=4 1944 B9R1.23 CN1CC(CC1=O)N[13CH3] 2230a_100000748898_200025704644 [0,0,0,1,0,0|3,0,0]=4 1945 B9R1.23 CN1CC(CC1=O)N[13CH3] 34a_100000748898_200025704644 [0,0,0,1,0,0|3,0,0]=4 1946 B9R1.23 CNC1C=C(C(=O)O1)C 2230a_106832991635_200009893386 [0,0,0,1,0,0|3,0,0]=4 1947 B9R1.23 CNC1CC(=O)N(C1)C 2230a_100000748898_200000210301 [0,0,0,1,0,0|3,0,0]=4 1948 B9R1.23 CNC1CC(=O)N(C1)C 34a_100000748898_200000210301 [0,0,0,1,0,0|3,0,0]=4 1949 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200000210301_200009893386 [0,0,0,1,0,0|3,0,0]=4 1950 B9R1.23 CSC1C=C(C(=O)O1)C 62a_200009893386_200000210301 [0,0,0,1,0,0|3,0,0]=4 1951 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [0,0,0,1,0,0|2,0,1]=4 1952 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [0,0,0,1,0,0|2,0,1]=4 1953 B9R1.35 CC(=O)N1CCC(C1)O 240690a_100011215560_100015343762 [0,0,0,1,0,0|3,0,0]=4 1954 B9R1.35 CC(=O)N1CCC(C1)O 527a_100011215560_100103153847 [0,0,0,1,0,0|3,0,0]=4 1955 B9R1.35 CC(=O)N1CC[C@@H](C1)F 11a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1956 B9R1.35 CC(=O)N1CC[C@@H](C1)F 1626a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1957 B9R1.35 CC(=O)N1CC[C@@H](C1)F 240690a_100015203821_100015343762 [0,0,0,1,0,0|3,0,0]=4 1958 B9R1.35 CC(=O)N1CC[C@@H](C1)F 527a_100015203821_100103153847 [0,0,0,1,0,0|3,0,0]=4 1959 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1960 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [0,0,0,1,0,0|2,0,0]=3 1961 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [0,0,0,1,0,0|2,0,0]=3 1962 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [0,0,0,1,0,0|2,0,1]=4 1963 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [0,0,0,1,0,0|2,0,1]=4 1964 B9R1.39 CCCOC1CCC1=O 34a_100000210258_100009892977 [0,0,0,1,0,0|2,0,1]=4 1965 B9R1.39 CCCSC1CCC1=O 62a_100000210303_100009892977 [0,0,0,1,0,0|2,0,1]=4 1966 B9R1.39 CCCSC1CCC1=O 62a_100009892977_100000210303 [0,0,0,1,0,0|2,0,1]=4 1967 B9R1.39 CNCCC1CCC1=O 2230a_106832991635_200016118888 [0,0,0,1,0,0|2,0,1]=4 1968 B9R1.39 CNCCC1CCC1=O 7a_106832991635_200016118888 [0,0,0,1,0,0|2,0,1]=4 1969 B9R1.39 CSCCC1CCC1=O 62a_200000210301_200016118888 [0,0,0,1,0,0|2,0,1]=4 1970 B9R1.39 CSCCC1CCC1=O 62a_200016118888_200000210301 [0,0,0,1,0,0|2,0,1]=4 1971 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200016118888_200025704644 [0,0,0,1,0,0|2,0,1]=4 1972 B9R1.39 [13CH3]SCCC1CCC1=O 62a_200025704644_200016118888 [0,0,0,1,0,0|2,0,1]=4 1973 B9R1.45 CC(C)C(=O)C1CC1C 1458a_100000211227_100000210206 [0,0,0,1,0,0|1,0,1]=3 1974 B9R1.45 CC(C)C(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210206 [0,0,0,1,0,0|2,0,1]=4 1975 B9R1.45 CC1CC1C(=O)N(C)C 11a_100102631434_100000211227 [0,0,0,1,0,0|2,0,0]=3 1976 B9R1.45 CC1CC1C(=O)N(C)C 1626a_100102631434_100000211227 [0,0,0,1,0,0|2,0,0]=3 1977 B9R1.45 CC1CC1C(=O)N(C)C 527a_100102631434_100000211227 [0,0,0,1,0,0|2,0,0]=3 1978 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 11a_100102631434_100015396687 [0,0,0,1,0,0|3,0,0]=4 1979 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 240690a_100102631434_100015396687 [0,0,0,1,0,0|3,0,0]=4 1980 B9R1.45 CN(C)C(=O)[C@@H]1C[C@@H]1F 527a_100102631434_100015396687 [0,0,0,1,0,0|3,0,0]=4 1981 B9R1.69 CN1CCN(C(=O)C1)C 2230a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1982 B9R1.69 CN1CCN(C(=O)C1)C 269982a_100000187256_200000210301 [0,0,0,1,0,0|3,0,0]=4 1983 B9R1.69 CN1CCN(CC1=O)[13CH3] 2230a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1984 B9R1.69 CN1CCN(CC1=O)[13CH3] 269982a_100000187256_200025704644 [0,0,0,1,0,0|3,0,0]=4 1985 B9R1.95 CC(=O)C1CC(C1)CO 1458a_206645079618_200000210301 [0,0,0,1,0,0|2,0,1]=4 1986 B9R1.95 CC(=O)N1CC(C1)CF 11a_100010363649_100015343762 [0,0,0,1,0,0|3,0,0]=4 1987 B9R1.95 CC(=O)N1CC(C1)CF 240690a_100010363649_100015343762 [0,0,0,1,0,0|3,0,0]=4 1988 B9R1.95 CC(=O)N1CC(C1)CF 527a_100010363649_100103153847 [0,0,0,1,0,0|3,0,0]=4 1989 B9R1.95 CC(=O)N1CC(C1)CO 240690a_100016987283_100015343762 [0,0,0,1,0,0|3,0,0]=4 1990 B9R1.95 CC(=O)N1CC(C1)CO 527a_100016987283_100103153847 [0,0,0,1,0,0|3,0,0]=4 1991 B9R1.95 CC(=O)N1CC(C1)N[13CH3] 2230a_100102955437_200025704644 [0,0,0,1,0,0|3,0,0]=4 1992 B9R1.95 CCC1CN(C1)C(=O)C 11a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1993 B9R1.95 CCC1CN(C1)C(=O)C 1626a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1994 B9R1.95 CCC1CN(C1)C(=O)C 240690a_100015205115_100015343762 [0,0,0,1,0,0|2,0,0]=3 1995 B9R1.95 CCC1CN(C1)C(=O)C 527a_100015205115_100103153847 [0,0,0,1,0,0|2,0,0]=3 1996 B9R1.95 CNC1CN(C1)C(=O)C 2230a_100102955437_200000210301 [0,0,0,1,0,0|3,0,0]=4 1997 B9R1.95 COC1CC(C1)C(=O)C 1458a_100011999411_200000210301 [0,0,0,1,0,0|2,0,1]=4 1998 B9R1.95 COC1CC(C1)C(=O)[13CH3] 1458a_100011999411_200025704644 [0,0,0,1,0,0|2,0,1]=4 1999 B9R1.95 COC1CN(C1)C(=O)C 11a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 2000 B9R1.95 COC1CN(C1)C(=O)C 1626a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 2001 B9R1.95 COC1CN(C1)C(=O)C 240690a_100000755009_100015343762 [0,0,0,1,0,0|3,0,0]=4 2002 B9R1.95 COC1CN(C1)C(=O)C 527a_100000755009_100103153847 [0,0,0,1,0,0|3,0,0]=4 2003 B9R1.95 CSC1CN(C1)C(=O)C 11a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 2004 B9R1.95 CSC1CN(C1)C(=O)C 1626a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 2005 B9R1.95 CSC1CN(C1)C(=O)C 240690a_100016990038_100015343762 [0,0,0,1,0,0|3,0,0]=4 2006 B9R1.95 CSC1CN(C1)C(=O)C 527a_100016990038_100103153847 [0,0,0,1,0,0|3,0,0]=4 2007 B9R1.95 [13CH3]C(=O)C1CC(C1)CO 1458a_206645079618_200025704644 [0,0,0,1,0,0|2,0,1]=4 2008 B9R1.100 CCCCC(=O)C1CC1 1458a_100000210395_100000210211 [0,0,0,1,0,0|1,0,1]=3 2009 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|0,0,2]=3 2010 B9R1.100 CCCNC(=O)C1CC1 11a_100020643023_100000210395 [0,0,0,1,0,0|2,0,1]=4 2011 B9R1.100 CCCNC(=O)C1CC1 1626a_100020643023_100000210395 [0,0,0,1,0,0|2,0,1]=4 2012 B9R1.100 CCCNC(=O)C1CC1 240690a_100020643023_100000210395 [0,0,0,1,0,0|2,0,1]=4 2013 B9R1.100 CCCNC(=O)C1CC1 527a_100020643023_100000210395 [0,0,0,1,0,0|2,0,1]=4 2014 B9R1.100 CCCNC(=O)C1CO1 11a_100020643023_100000701028 [0,0,0,1,0,0|1,0,2]=4 2015 B9R1.100 CCCNC(=O)C1CO1 1626a_100020643023_100000701028 [0,0,0,1,0,0|1,0,2]=4 2016 B9R1.100 CCCNC(=O)C1CO1 240690a_100020643023_100000701028 [0,0,0,1,0,0|1,0,2]=4 2017 B9R1.100 CCCNC(=O)C1CO1 527a_100020643023_100000701028 [0,0,0,1,0,0|1,0,2]=4 2018 B9R1.100 CCNCC(=O)C1CC1 2230a_100015525214_100000746382 [0,0,0,1,0,0|2,0,1]=4 2019 B9R1.100 CCOCC(=O)C1CC1 34a_100000686663_100000210202 [0,0,0,1,0,0|2,0,1]=4 2020 B9R1.100 CCOCC(=O)C1CC1 34a_100121572206_100000746382 [0,0,0,1,0,0|2,0,1]=4 2021 B9R1.100 CCSCC(=O)C1CC1 62a_100000210202_100000746382 [0,0,0,1,0,0|2,0,1]=4 2022 B9R1.100 CCSCC(=O)C1CC1 62a_100000746382_100000210202 [0,0,0,1,0,0|2,0,1]=4 2023 B9R1.100 COCCC(=O)C1CC1 1458a_100000210395_100000233755 [0,0,0,1,0,0|2,0,1]=4 2024 B9R1.100 COCCC(=O)C1CO1 1458a_100000701028_100000233755 [0,0,0,1,0,0|1,0,2]=4 2025 B9R1.100 CSCCC(=O)C1CC1 1458a_100000210395_100000751147 [0,0,0,1,0,0|2,0,1]=4 2026 B9R1.100 CSCCC(=O)C1CO1 1458a_100000701028_100000751147 [0,0,0,1,0,0|1,0,2]=4 2027 B9R1.100 O=C(CCCF)C1CC1 1458a_100000210395_100011934791 [0,0,0,1,0,0|2,0,1]=4 2028 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|1,0,2]=4 2029 B9R1.100 O=C(CCCO)C1CC1 1458a_100000210395_100011215043 [0,0,0,1,0,0|2,0,1]=4 2030 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|1,0,2]=4 2031 B9R1.110 C=C(Br)C(=O)N1CCC1 11a_100000754969_100009813364 [0,0,0,1,0,0|2,0,1]=4 2032 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,0,1,0,0|1,0,0]=2 2033 B9R1.110 C=C(C)C(=O)C1COC1 1458a_100000185857_100000687716 [0,0,0,1,0,0|2,0,0]=3 2034 B9R1.110 C=C(C)C(=O)N1CCC1 11a_100000754969_100000185857 [0,0,0,1,0,0|2,0,0]=3 2035 B9R1.110 C=C(Cl)C(=O)N1CCC1 11a_100000754969_100000039160 [0,0,0,1,0,0|2,0,1]=4 2036 B9R1.110 C=C(F)C(=O)N1CCC1 11a_100000754969_100000036797 [0,0,0,1,0,0|2,0,1]=4 2037 B9R1.110 CC(=O)C(C)N1CCC1 269982a_100000754969_100009814033 [0,0,0,1,0,0|2,0,1]=4 2038 B9R1.110 CC(=O)N(C)C1CCC1 11a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 2039 B9R1.110 CC(=O)N(C)C1CCC1 1626a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 2040 B9R1.110 CC(=O)N(C)C1CCC1 240690a_100000758072_100015343762 [0,0,0,1,0,0|2,0,0]=3 2041 B9R1.110 CC(=O)N(C)C1CCC1 527a_100000758072_100103153847 [0,0,0,1,0,0|2,0,0]=3 2042 B9R1.110 CC(=O)N(C)C1COC1 11a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 2043 B9R1.110 CC(=O)N(C)C1COC1 1626a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 2044 B9R1.110 CC(=O)N(C)C1COC1 240690a_100102693430_100015343762 [0,0,0,1,0,0|3,0,0]=4 2045 B9R1.110 CC(=O)N(C)C1COC1 527a_100102693430_100103153847 [0,0,0,1,0,0|3,0,0]=4 2046 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000209988_100000210206 [0,0,0,1,0,0|1,0,1]=3 2047 B9R1.110 CC(C)C(=O)C1CCC1 1458a_100000210198_100000749161 [0,0,0,1,0,0|1,0,1]=3 2048 B9R1.110 CC(C)C(=O)C1CCO1 1458a_100000089072_100000210206 [0,0,0,1,0,0|2,0,1]=4 2049 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000210198_100000687716 [0,0,0,1,0,0|2,0,1]=4 2050 B9R1.110 CC(C)C(=O)C1COC1 1458a_100000758290_100000210206 [0,0,0,1,0,0|2,0,1]=4 2051 B9R1.110 CC(C)C(=O)N1CCC1 11a_100000754969_100000210198 [0,0,0,1,0,0|2,0,1]=4 2052 B9R1.110 CC(C)C(=O)N1CCC1 240690a_100000754969_100000210198 [0,0,0,1,0,0|2,0,1]=4 2053 B9R1.110 CC(C)C(=O)N1CCC1 527a_100000754969_100000210198 [0,0,0,1,0,0|2,0,1]=4 2054 B9R1.110 CC(F)C(=O)C1CCC1 1458a_100000062450_100000749161 [0,0,0,1,0,0|1,0,1]=3 2055 B9R1.110 CC(F)C(=O)C1COC1 1458a_100000062450_100000687716 [0,0,0,1,0,0|2,0,1]=4 2056 B9R1.110 CC(F)C(=O)N1CCC1 11a_100000754969_100000062450 [0,0,0,1,0,0|2,0,1]=4 2057 B9R1.110 CC(F)C(=O)N1CCC1 240690a_100000754969_100000062450 [0,0,0,1,0,0|2,0,1]=4 2058 B9R1.110 CC(F)C(=O)N1CCC1 527a_100000754969_100000062450 [0,0,0,1,0,0|2,0,1]=4 2059 B9R1.110 CN(C)C(=O)C1CCC1 11a_100102631434_100000209988 [0,0,0,1,0,0|2,0,0]=3 2060 B9R1.110 CN(C)C(=O)C1CCC1 1626a_100102631434_100000209988 [0,0,0,1,0,0|2,0,0]=3 2061 B9R1.110 CN(C)C(=O)C1CCC1 240690a_100102631434_100000209988 [0,0,0,1,0,0|2,0,0]=3 2062 B9R1.110 CN(C)C(=O)C1CCC1 527a_100102631434_100000209988 [0,0,0,1,0,0|2,0,0]=3 2063 B9R1.110 CN(C)C(=O)C1CCO1 11a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 2064 B9R1.110 CN(C)C(=O)C1CCO1 1626a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 2065 B9R1.110 CN(C)C(=O)C1CCO1 240690a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 2066 B9R1.110 CN(C)C(=O)C1CCO1 527a_100102631434_100000089072 [0,0,0,1,0,0|3,0,0]=4 2067 B9R1.110 CN(C)C(=O)C1COC1 11a_100102631434_100000758290 [0,0,0,1,0,0|3,0,0]=4 2068 B9R1.110 CN(C)C(=O)C1COC1 1626a_100102631434_100000758290 [0,0,0,1,0,0|3,0,0]=4 2069 B9R1.110 CN(C)C(=O)C1COC1 240690a_100102631434_100000758290 [0,0,0,1,0,0|3,0,0]=4 2070 B9R1.110 CN(C)C(=O)C1COC1 527a_100102631434_100000758290 [0,0,0,1,0,0|3,0,0]=4 2071 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|0,0,2]=3 2072 B9R1.110 C[C@@H](O)C(=O)C1COC1 1458a_100000717761_100000687716 [0,0,0,1,0,0|1,0,2]=4 2073 B9R1.110 C[C@@H](O)C(=O)N1CCC1 240690a_100000754969_100000717761 [0,0,0,1,0,0|1,0,2]=4 2074 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|0,0,2]=3 2075 B9R1.110 C[C@H](O)C(=O)C1COC1 1458a_217856618621_100000687716 [0,0,0,1,0,0|1,0,2]=4 2076 B9R1.110 C[C@H](O)C(=O)N1CCC1 240690a_100000754969_217856618621 [0,0,0,1,0,0|1,0,2]=4 2077 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,0,0,1,0,0|2,0,0]=3 2078 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|1,0,2]=4 2079 B9R1.112 C=C(Br)C(=O)NC1CC1 1626a_100000212008_100009813364 [0,0,0,1,0,0|2,0,1]=4 2080 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,0|1,0,0]=2 2081 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|2,0,0]=3 2082 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,0,0,1,0,0|2,0,0]=3 2083 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|2,0,0]=3 2084 B9R1.112 C=C(C)C(=O)NC1CC1 1626a_100000212008_100000185857 [0,0,0,1,0,0|2,0,0]=3 2085 B9R1.112 C=C(Cl)C(=O)NC1CC1 1626a_100000212008_100000039160 [0,0,0,1,0,0|2,0,1]=4 2086 B9R1.112 C=C(F)C(=O)NC1CC1 1626a_100000212008_100000036797 [0,0,0,1,0,0|2,0,1]=4 2087 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|1,0,0]=2 2088 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [0,0,0,1,0,0|2,0,1]=4 2089 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [0,0,0,1,0,0|2,0,1]=4 2090 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 2091 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 2092 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [0,0,0,1,0,0|2,0,0]=3 2093 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [0,0,0,1,0,0|2,0,0]=3 2094 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000210198_100000742324 [0,0,0,1,0,0|1,0,1]=3 2095 B9R1.112 CC(C)C(=O)CC1CC1 1458a_100000738066_100000210206 [0,0,0,1,0,0|1,0,1]=3 2096 B9R1.112 CC(C)C(=O)CC1CO1 1458a_100000210198_100011216344 [0,0,0,1,0,0|2,0,1]=4 2097 B9R1.112 CC(C)C(=O)CC1CS1 1458a_100000210198_100000031435 [0,0,0,1,0,0|2,0,1]=4 2098 B9R1.112 CC(C)C(=O)C[C@@H]1CO1 1458a_100000210198_100000745022 [0,0,0,1,0,0|2,0,1]=4 2099 B9R1.112 CC(C)C(=O)NC1CC1 1626a_100000212008_100000210198 [0,0,0,1,0,0|2,0,1]=4 2100 B9R1.112 CC(C)C(=O)NC1CC1 240690a_100000212008_100000210198 [0,0,0,1,0,0|2,0,1]=4 2101 B9R1.112 CC(C)C(=O)NC1CC1 527a_100000212008_100000210198 [0,0,0,1,0,0|2,0,1]=4 2102 B9R1.112 CC(F)C(=O)CC1CC1 1458a_100000062450_100000742324 [0,0,0,1,0,0|1,0,1]=3 2103 B9R1.112 CC(F)C(=O)CC1CO1 1458a_100000062450_100011216344 [0,0,0,1,0,0|2,0,1]=4 2104 B9R1.112 CC(F)C(=O)CC1CS1 1458a_100000062450_100000031435 [0,0,0,1,0,0|2,0,1]=4 2105 B9R1.112 CC(F)C(=O)C[C@@H]1CO1 1458a_100000062450_100000745022 [0,0,0,1,0,0|2,0,1]=4 2106 B9R1.112 CC(F)C(=O)NC1CC1 1626a_100000212008_100000062450 [0,0,0,1,0,0|2,0,1]=4 2107 B9R1.112 CC(F)C(=O)NC1CC1 240690a_100000212008_100000062450 [0,0,0,1,0,0|2,0,1]=4 2108 B9R1.112 CC(F)C(=O)NC1CC1 527a_100000212008_100000062450 [0,0,0,1,0,0|2,0,1]=4 2109 B9R1.112 CN(C)C(=O)CC1CC1 11a_100102631434_100000738066 [0,0,0,1,0,0|2,0,0]=3 2110 B9R1.112 CN(C)C(=O)CC1CC1 1626a_100102631434_100000738066 [0,0,0,1,0,0|2,0,0]=3 2111 B9R1.112 CN(C)C(=O)CC1CC1 240690a_100102631434_100000738066 [0,0,0,1,0,0|2,0,0]=3 2112 B9R1.112 CN(C)C(=O)CC1CC1 527a_100102631434_100000738066 [0,0,0,1,0,0|2,0,0]=3 2113 B9R1.112 CN(C)C(=O)NC1CC1 2708a_100000212008_100102631434 [0,0,0,1,0,0|3,0,0]=4 2114 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|0,0,2]=3 2115 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|1,0,2]=4 2116 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|1,0,2]=4 2117 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|1,0,2]=4 2118 B9R1.112 C[C@@H](O)C(=O)NC1CC1 240690a_100000212008_100000717761 [0,0,0,1,0,0|1,0,2]=4 2119 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|0,0,2]=3 2120 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|1,0,2]=4 2121 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|1,0,2]=4 2122 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|1,0,2]=4 2123 B9R1.112 C[C@H](O)C(=O)NC1CC1 1626a_100000212008_217856618621 [0,0,0,1,0,0|1,0,2]=4 2124 B9R1.112 C[C@H](O)C(=O)NC1CC1 240690a_100000212008_217856618621 [0,0,0,1,0,0|1,0,2]=4 2125 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,0|2,0,0]=3 2126 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|1,0,2]=4 2127 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|1,0,0]=2 2128 B9R1.163 CC(=O)C1(CCCC1)C 1458a_100000239728_200000210301 [0,0,0,1,0,0|1,0,1]=3 2129 B9R1.163 CC(=O)C1(CCCC1)O 1458a_100000242637_200000210301 [0,0,0,1,0,0|0,0,2]=3 2130 B9R1.163 CC(=O)C1(CCCO1)C 1458a_100000684770_200000210301 [0,0,0,1,0,0|2,0,1]=4 2131 B9R1.163 CC1(CCCC1)C(=O)[13CH3] 1458a_100000239728_200025704644 [0,0,0,1,0,0|1,0,1]=3 2132 B9R1.163 CC1(CCCO1)C(=O)[13CH3] 1458a_100000684770_200025704644 [0,0,0,1,0,0|2,0,1]=4 2133 B9R1.163 [13CH3]C(=O)C1(CCCC1)O 1458a_100000242637_200025704644 [0,0,0,1,0,0|0,0,2]=3 2134 B9R0.4 C#CCCC(=O)C=C(C)C 1458a_100000211388_100000753159 [0,0,0,0,0,1|1,0,2]=4 2135 B9R0.4 C#CCCC(=O)C=C(C)Cl 1458a_200042562850_100000753159 [0,0,0,0,0,1|1,0,2]=4 2136 B9R0.4 C#CCCC(=O)C=C(C)I 1458a_100025716642_100000753159 [0,0,0,0,0,1|1,0,2]=4 2137 B9R0.4 C#CCCC(=O)CC(=C)C 1458a_100000692101_100000748629 [0,0,0,0,0,1|1,0,2]=4 2138 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100000692101_100000187820 [0,0,0,0,0,1|1,0,2]=4 2139 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100134613110_100000753159 [0,0,0,0,0,1|1,0,2]=4 2140 B9R0.4 C#CCCC(=O)CC(=O)[O-] 1458a_100000692101_100020667443 [0,0,0,0,0,1|1,0,2]=4 2141 B9R0.4 C/C=C/CC(=O)C=C(C)C 1458a_100000211388_100102629194 [0,0,0,0,0,1|1,0,2]=4 2142 B9R0.4 C/C=C/CC(=O)C=C(C)Cl 1458a_200042562850_100102629194 [0,0,0,0,0,1|1,0,2]=4 2143 B9R0.4 C/C=C/CC(=O)C=C(C)I 1458a_100025716642_100102629194 [0,0,0,0,0,1|1,0,2]=4 2144 B9R0.4 C/C=C/CC(=O)CC(=O)N 1458a_100134613110_100102629194 [0,0,0,0,0,1|1,0,2]=4 2145 B9R0.4 C=C(C)CC(=O)C#CCC 1458a_100011827653_100000748629 [0,0,0,0,0,1|1,0,2]=4 2146 B9R0.4 C=C(C)CC(=O)C=CCC 1458a_100000212282_100000748629 [0,0,0,0,0,1|1,0,2]=4 2147 B9R0.4 C=C(C)CC(=O)CC=CC 1458a_100121576822_100000748629 [0,0,0,0,0,1|1,0,2]=4 2148 B9R0.4 C=C(C)CC(=O)CCC#N 1458a_100011934036_100000748629 [0,0,0,0,0,1|2,0,1]=4 2149 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,0,0,0,0,1|1,0,0]=2 2150 B9R0.4 C=C(C)CC(=O)CCOC 1458a_100000749529_100000748629 [0,0,0,0,0,1|2,0,0]=3 2151 B9R0.4 C=C(C)CC(=O)CCSC 1458a_100000174002_100000748629 [0,0,0,0,0,1|2,0,0]=3 2152 B9R0.4 C=C(C)CC(=O)COCC 1458a_100000211967_100000748629 [0,0,0,0,0,1|2,0,0]=3 2153 B9R0.4 C=C(C)CC(=O)CSCC 1458a_100000230394_100000748629 [0,0,0,0,0,1|2,0,0]=3 2154 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000207549_100000748629 [0,0,0,0,0,1|3,0,0]=4 2155 B9R0.4 C=C(C)CN(C)CCCC 2230a_100000225649_100000210211 [0,0,0,0,0,1|3,0,0]=4 2156 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000207549_100000748629 [0,0,0,0,0,1|3,0,0]=4 2157 B9R0.4 C=C(C)CN(C)CCCC 269982a_100000225649_100000210211 [0,0,0,0,0,1|3,0,0]=4 2158 B9R0.4 C=C(CC(=O)C)OCOC 1458a_100000070787_100000042856 [0,0,0,0,0,1|3,0,0]=4 2159 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,0,0,0,0,1|1,0,1]=3 2160 B9R0.4 C=C(F)CC(=O)CCOC 1458a_100000749529_100009893438 [0,0,0,0,0,1|2,0,1]=4 2161 B9R0.4 C=C(F)CC(=O)CCSC 1458a_100000174002_100009893438 [0,0,0,0,0,1|2,0,1]=4 2162 B9R0.4 C=C(F)CC(=O)COCC 1458a_100000211967_100009893438 [0,0,0,0,0,1|2,0,1]=4 2163 B9R0.4 C=C(F)CC(=O)CSCC 1458a_100000230394_100009893438 [0,0,0,0,0,1|2,0,1]=4 2164 B9R0.4 C=CCCC(=O)C=C(C)C 1458a_100000211388_100000754431 [0,0,0,0,0,1|1,0,2]=4 2165 B9R0.4 C=CCCC(=O)C=C(C)Cl 1458a_200042562850_100000754431 [0,0,0,0,0,1|1,0,2]=4 2166 B9R0.4 C=CCCC(=O)C=C(C)I 1458a_100025716642_100000754431 [0,0,0,0,0,1|1,0,2]=4 2167 B9R0.4 C=CCCC(=O)CC(=C)C 1458a_100000749702_100000748629 [0,0,0,0,0,1|1,0,2]=4 2168 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,0,0,0,0,1|1,0,2]=4 2169 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,0,0,0,0,1|1,0,2]=4 2170 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,0,0,0,0,1|1,0,2]=4 2171 B9R0.4 C=CCNC(=O)CC(=O)C 1458a_100000070787_100000183597 [0,0,0,0,0,1|1,0,2]=4 2172 B9R0.4 C=CCOC(=O)CC(=O)C 1458a_100000070787_100000033060 [0,0,0,0,0,1|1,0,2]=4 2173 B9R0.4 CC#CCC(=O)C=C(C)C 1458a_100000211388_100000748600 [0,0,0,0,0,1|1,0,2]=4 2174 B9R0.4 CC#CCC(=O)C=C(C)Cl 1458a_200042562850_100000748600 [0,0,0,0,0,1|1,0,2]=4 2175 B9R0.4 CC#CCC(=O)C=C(C)I 1458a_100025716642_100000748600 [0,0,0,0,0,1|1,0,2]=4 2176 B9R0.4 CC#CCC(=O)CC(=O)N 1458a_100134613110_100000748600 [0,0,0,0,0,1|1,0,2]=4 2177 B9R0.4 CC(=CC(=O)CCC#N)C 1458a_100000211388_100011215226 [0,0,0,0,0,1|2,0,1]=4 2178 B9R0.4 CC(=CC(=O)CCC#N)Cl 1458a_200042562850_100011215226 [0,0,0,0,0,1|2,0,1]=4 2179 B9R0.4 CC(=CC(=O)CCC#N)I 1458a_100025716642_100011215226 [0,0,0,0,0,1|2,0,1]=4 2180 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,0,0,0,0,1|2,0,0]=3 2181 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,0,0,0,0,1|2,0,0]=3 2182 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,0,0,0,0,1|2,0,0]=3 2183 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,0,0,0,0,1|2,0,0]=3 2184 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,0,0,0,0,1|2,0,0]=3 2185 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,0,0,0,0,1|2,0,0]=3 2186 B9R0.4 CC(=CC(=O)NCCF)C 11a_100000724931_100000211388 [0,0,0,0,0,1|3,0,0]=4 2187 B9R0.4 CC(=CC(=O)NCCF)C 1626a_100000724931_100000211388 [0,0,0,0,0,1|3,0,0]=4 2188 B9R0.4 CC(=CC(=O)NCCF)C 240690a_100000724931_100000211388 [0,0,0,0,0,1|3,0,0]=4 2189 B9R0.4 CC(=CC(=O)NCCF)Cl 11a_100000724931_200042562850 [0,0,0,0,0,1|3,0,0]=4 2190 B9R0.4 CC(=CC(=O)NCCF)Cl 1626a_100000724931_200042562850 [0,0,0,0,0,1|3,0,0]=4 2191 B9R0.4 CC(=CC(=O)NCCF)Cl 240690a_100000724931_200042562850 [0,0,0,0,0,1|3,0,0]=4 2192 B9R0.4 CC(=CC(=O)NCCF)I 11a_100000724931_100025716642 [0,0,0,0,0,1|3,0,0]=4 2193 B9R0.4 CC(=CC(=O)NCCF)I 1626a_100000724931_100025716642 [0,0,0,0,0,1|3,0,0]=4 2194 B9R0.4 CC(=CC(=O)NCCO)C 240690a_100000210304_100000211388 [0,0,0,0,0,1|3,0,0]=4 2195 B9R0.4 CC(=CC(=O)NCCO)Cl 240690a_100000210304_200042562850 [0,0,0,0,0,1|3,0,0]=4 2196 B9R0.4 CC(=O)CC(=O)NCC#N 1458a_100000070787_100000736037 [0,0,0,0,0,1|2,0,1]=4 2197 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,0,0,0,0,1|2,0,0]=3 2198 B9R0.4 CC(C)CC(=O)CCCF 1458a_100000210554_100011934791 [0,0,0,0,0,1|2,0,1]=4 2199 B9R0.4 CC(C)CC(=O)CCCO 1458a_100000210554_100011215043 [0,0,0,0,0,1|2,0,1]=4 2200 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_100000737564_200025704644 [0,0,0,0,0,1|2,0,1]=4 2201 B9R0.4 CC(C)NC(=O)CCS[13CH3] 62a_200025704644_100000737564 [0,0,0,0,0,1|2,0,1]=4 2202 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_100000760027_200025704644 [0,0,0,0,0,1|2,0,1]=4 2203 B9R0.4 CC(C)OC(=O)CCS[13CH3] 62a_200025704644_100000760027 [0,0,0,0,0,1|2,0,1]=4 2204 B9R0.4 CC=CCC(=O)C=C(C)C 1458a_100000211388_100000070051 [0,0,0,0,0,1|1,0,2]=4 2205 B9R0.4 CC=CCC(=O)C=C(C)Cl 1458a_200042562850_100000070051 [0,0,0,0,0,1|1,0,2]=4 2206 B9R0.4 CC=CCC(=O)C=C(C)I 1458a_100025716642_100000070051 [0,0,0,0,0,1|1,0,2]=4 2207 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100121576822_100000187820 [0,0,0,0,0,1|1,0,2]=4 2208 B9R0.4 CC=CCC(=O)CC(=O)N 1458a_100134613110_100000070051 [0,0,0,0,0,1|1,0,2]=4 2209 B9R0.4 CC=CCC(=O)CC(=O)[O-] 1458a_100121576822_100020667443 [0,0,0,0,0,1|1,0,2]=4 2210 B9R0.4 CCC#CC(=O)CC(=O)N 1458a_100011827653_100000187820 [0,0,0,0,0,1|1,0,2]=4 2211 B9R0.4 CCC#CC(=O)CC(=O)[O-] 1458a_100011827653_100020667443 [0,0,0,0,0,1|1,0,2]=4 2212 B9R0.4 CCC=CC(=O)CC(=O)N 1458a_100000212282_100000187820 [0,0,0,0,0,1|1,0,2]=4 2213 B9R0.4 CCC=CC(=O)CC(=O)[O-] 1458a_100000212282_100020667443 [0,0,0,0,0,1|1,0,2]=4 2214 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,0,0,0,0,1|1,0,0]=2 2215 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,0,0,0,0,1|1,0,0]=2 2216 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,0,0,0,0,1|1,0,0]=2 2217 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,0,0,0,0,1|2,0,0]=3 2218 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|1,0,0]=2 2219 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|1,0,0]=2 2220 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|1,0,0]=2 2221 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210183_100000210624 [0,0,0,0,0,1|1,0,1]=3 2222 B9R0.4 CCCCC(=O)CC(C)C 1458a_100000210554_100000210211 [0,0,0,0,0,1|1,0,1]=3 2223 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,0,0,0,0,1|0,0,2]=3 2224 B9R0.4 CCCCC(=O)CC(F)F 1458a_100000210183_100011934356 [0,0,0,0,0,1|2,0,1]=4 2225 B9R0.4 CCCCC(=O)CN(C)C 1458a_100000750896_100000210211 [0,0,0,0,0,1|2,0,0]=3 2226 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,0,0,0,0,1|0,0,2]=3 2227 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,0,0,0,0,1|2,0,0]=3 2228 B9R0.4 CCCCC(=O)C[S+](C)C 1458a_200159257847_100000210211 [0,0,0,0,0,1|2,0,0]=3 2229 B9R0.4 CCCCC(=O)NC(C)C 11a_100138425928_100000210183 [0,0,0,0,0,1|1,0,1]=3 2230 B9R0.4 CCCCC(=O)NC(C)C 1626a_100138425928_100000210183 [0,0,0,0,0,1|1,0,1]=3 2231 B9R0.4 CCCCC(=O)NC(C)C 240690a_100138425928_100000210183 [0,0,0,0,0,1|1,0,1]=3 2232 B9R0.4 CCCCC(=O)NC(C)C 527a_100138425928_100000210183 [0,0,0,0,0,1|1,0,1]=3 2233 B9R0.4 CCCCC(C)NC(=O)C 11a_100000126638_100015343762 [0,0,0,0,0,1|1,0,1]=3 2234 B9R0.4 CCCCC(C)NC(=O)C 1626a_100000126638_100015343762 [0,0,0,0,0,1|1,0,1]=3 2235 B9R0.4 CCCCC(C)NC(=O)C 240690a_100000126638_100015343762 [0,0,0,0,0,1|1,0,1]=3 2236 B9R0.4 CCCCC(C)NC(=O)C 527a_100000126638_100103153847 [0,0,0,0,0,1|1,0,1]=3 2237 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000207549_100000747473 [0,0,0,0,0,1|3,0,0]=4 2238 B9R0.4 CCCCN(C)CC(=O)N 2230a_100000739694_100000210211 [0,0,0,0,0,1|3,0,0]=4 2239 B9R0.4 CCCCN(C)CC(=O)N 269982a_100000207549_100000187820 [0,0,0,0,0,1|3,0,0]=4 2240 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|3,0,0]=4 2241 B9R0.4 CCCCN(C)CC(=O)[O-] 269982a_100000207549_100020667443 [0,0,0,0,0,1|3,0,0]=4 2242 B9R0.4 CCCNC(=O)C=C(C)C 11a_100020643023_100000211388 [0,0,0,0,0,1|2,0,0]=3 2243 B9R0.4 CCCNC(=O)C=C(C)C 1626a_100020643023_100000211388 [0,0,0,0,0,1|2,0,0]=3 2244 B9R0.4 CCCNC(=O)C=C(C)C 240690a_100020643023_100000211388 [0,0,0,0,0,1|2,0,0]=3 2245 B9R0.4 CCCNC(=O)C=C(C)Cl 11a_100020643023_200042562850 [0,0,0,0,0,1|2,0,0]=3 2246 B9R0.4 CCCNC(=O)C=C(C)Cl 1626a_100020643023_200042562850 [0,0,0,0,0,1|2,0,0]=3 2247 B9R0.4 CCCNC(=O)C=C(C)Cl 240690a_100020643023_200042562850 [0,0,0,0,0,1|2,0,0]=3 2248 B9R0.4 CCCNC(=O)C=C(C)I 11a_100020643023_100025716642 [0,0,0,0,0,1|2,0,0]=3 2249 B9R0.4 CCCNC(=O)C=C(C)I 1626a_100020643023_100025716642 [0,0,0,0,0,1|2,0,0]=3 2250 B9R0.4 CCCNC(=O)C=C(Cl)Cl 1626a_100020643023_100000137448 [0,0,0,0,0,1|3,0,0]=4 2251 B9R0.4 CCCNC(=O)C=C(Cl)Cl 240690a_100020643023_100000137448 [0,0,0,0,0,1|3,0,0]=4 2252 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,0,0,0,0,1|1,0,0]=2 2253 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,0,0,0,0,1|2,0,0]=3 2254 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,0,0,0,0,1|2,0,0]=3 2255 B9R0.4 CCCNC(=O)CC(C)C 11a_100020643023_100000210554 [0,0,0,0,0,1|2,0,1]=4 2256 B9R0.4 CCCNC(=O)CC(C)C 1626a_100020643023_100000210554 [0,0,0,0,0,1|2,0,1]=4 2257 B9R0.4 CCCNC(=O)CC(C)C 240690a_100020643023_100000210554 [0,0,0,0,0,1|2,0,1]=4 2258 B9R0.4 CCCNC(=O)CC(C)C 527a_100020643023_100000210554 [0,0,0,0,0,1|2,0,1]=4 2259 B9R0.4 CCCNC(=O)CN(C)C 11a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 2260 B9R0.4 CCCNC(=O)CN(C)C 2230a_100000684209_200000210301 [0,0,0,0,0,1|3,0,0]=4 2261 B9R0.4 CCCNC(=O)CN(C)C 2230a_100102631434_100000183358 [0,0,0,0,0,1|3,0,0]=4 2262 B9R0.4 CCCNC(=O)CN(C)C 240690a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 2263 B9R0.4 CCCNC(=O)CN(C)C 269982a_100000684209_200000210301 [0,0,0,0,0,1|3,0,0]=4 2264 B9R0.4 CCCNC(=O)CN(C)C 269982a_100102631434_100000183358 [0,0,0,0,0,1|3,0,0]=4 2265 B9R0.4 CCCNC(=O)CN(C)C 527a_100020643023_100000750896 [0,0,0,0,0,1|3,0,0]=4 2266 B9R0.4 CCCNC(=O)CN(C)[13CH3] 2230a_100000684209_200025704644 [0,0,0,0,0,1|3,0,0]=4 2267 B9R0.4 CCCNC(=O)CN(C)[13CH3] 269982a_100000684209_200025704644 [0,0,0,0,0,1|3,0,0]=4 2268 B9R0.4 CCCNC(=O)C[C@@H](C)O 240690a_100020643023_100011933948 [0,0,0,0,0,1|1,0,2]=4 2269 B9R0.4 CCCNC(=O)C[S+](C)C 11a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 2270 B9R0.4 CCCNC(=O)C[S+](C)C 1626a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 2271 B9R0.4 CCCNC(=O)C[S+](C)C 240690a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 2272 B9R0.4 CCCNC(=O)C[S+](C)C 527a_100020643023_200159257847 [0,0,0,0,0,1|3,0,0]=4 2273 B9R0.4 CCCNC(=O)NC(C)C 2708a_100020643023_100138425928 [0,0,0,0,0,1|2,0,1]=4 2274 B9R0.4 CCCNC(=O)NC(C)C 2708a_100138425928_100020643023 [0,0,0,0,0,1|2,0,1]=4 2275 B9R0.4 CCCNC(=O)NC(C)C 273464a_100138425928_100020643023 [0,0,0,0,0,1|2,0,1]=4 2276 B9R0.4 CCCNC(=O)NC(C)C 512a_100020643023_100138425928 [0,0,0,0,0,1|2,0,1]=4 2277 B9R0.4 CCCNC(=O)NC(C)C 512a_100138425928_100020643023 [0,0,0,0,0,1|2,0,1]=4 2278 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,0,0,0,0,1|1,0,0]=2 2279 B9R0.4 CCCOC(=O)CN(C)C 2230a_100102631434_200011215008 [0,0,0,0,0,1|3,0,0]=4 2280 B9R0.4 CCCOC(=O)CN(C)C 269982a_100102631434_200011215008 [0,0,0,0,0,1|3,0,0]=4 2281 B9R0.4 CCCSC(C)OC(=O)C 62a_100000210303_100009818208 [0,0,0,0,0,1|2,0,1]=4 2282 B9R0.4 CCCSC(C)OC(=O)C 62a_100009818208_100000210303 [0,0,0,0,0,1|2,0,1]=4 2283 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,0,0,0,0,1|2,0,0]=3 2284 B9R0.4 CCNCC(=O)NC(C)C 2230a_100000168517_100000210202 [0,0,0,0,0,1|2,0,1]=4 2285 B9R0.4 CCNCC(=O)NC(C)C 2230a_100015525214_100000183996 [0,0,0,0,0,1|2,0,1]=4 2286 B9R0.4 CCNCC(=O)OC(C)C 2230a_100015525214_100011215430 [0,0,0,0,0,1|2,0,1]=4 2287 B9R0.4 CCNNC(=O)C=C(C)C 22a_100000756455_100000211388 [0,0,0,0,0,1|3,0,0]=4 2288 B9R0.4 CCNNC(=O)C=C(C)Cl 22a_100000756455_200042562850 [0,0,0,0,0,1|3,0,0]=4 2289 B9R0.4 CCNNC(=O)CC(=O)N 22a_100000756455_100134613110 [0,0,0,0,0,1|3,0,0]=4 2290 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,0,0,0,0,1|2,0,0]=3 2291 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,0,0,0,0,1|2,0,0]=3 2292 B9R0.4 CCOCC(=O)CC(C)C 1458a_100000211967_100000210624 [0,0,0,0,0,1|2,0,1]=4 2293 B9R0.4 CCOCC(=O)CC(C)O 1458a_100000211967_100011218427 [0,0,0,0,0,1|1,0,2]=4 2294 B9R0.4 CCOCC(=O)C[N+](=O)[O-] 1458a_100000211967_100000761209 [0,0,0,0,0,1|3,0,0]=4 2295 B9R0.4 CCOCC(=O)NC(C)C 11a_100138425928_100000211967 [0,0,0,0,0,1|2,0,1]=4 2296 B9R0.4 CCOCC(=O)NC(C)C 1626a_100138425928_100000211967 [0,0,0,0,0,1|2,0,1]=4 2297 B9R0.4 CCOCC(=O)NC(C)C 240690a_100138425928_100000211967 [0,0,0,0,0,1|2,0,1]=4 2298 B9R0.4 CCOCC(=O)NC(C)C 34a_100121572206_100000183996 [0,0,0,0,0,1|2,0,1]=4 2299 B9R0.4 CCOCC(=O)NC(C)C 527a_100138425928_100000211967 [0,0,0,0,0,1|2,0,1]=4 2300 B9R0.4 CCOCC(=O)OC(C)C 34a_100121572206_100011215430 [0,0,0,0,0,1|2,0,1]=4 2301 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,0,0,0,0,1|2,0,0]=3 2302 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,0,0,0,0,1|2,0,0]=3 2303 B9R0.4 CCSCC(=O)CC(C)C 1458a_100000230394_100000210624 [0,0,0,0,0,1|2,0,1]=4 2304 B9R0.4 CCSCC(=O)CC(C)O 1458a_100000230394_100011218427 [0,0,0,0,0,1|1,0,2]=4 2305 B9R0.4 CCSCC(=O)C[N+](=O)[O-] 1458a_100000230394_100000761209 [0,0,0,0,0,1|3,0,0]=4 2306 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,0,0,0,0,1|1,0,0]=2 2307 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,0,0,0,0,1|2,0,0]=3 2308 B9R0.4 CCSCC(=O)NC(C)C 11a_100138425928_100000230394 [0,0,0,0,0,1|2,0,1]=4 2309 B9R0.4 CCSCC(=O)NC(C)C 1626a_100138425928_100000230394 [0,0,0,0,0,1|2,0,1]=4 2310 B9R0.4 CCSCC(=O)NC(C)C 240690a_100138425928_100000230394 [0,0,0,0,0,1|2,0,1]=4 2311 B9R0.4 CCSCC(=O)NC(C)C 527a_100138425928_100000230394 [0,0,0,0,0,1|2,0,1]=4 2312 B9R0.4 CCSCC(=O)NC(C)C 62a_100000183996_100000210202 [0,0,0,0,0,1|2,0,1]=4 2313 B9R0.4 CCSCC(=O)NC(C)C 62a_100000210202_100000183996 [0,0,0,0,0,1|2,0,1]=4 2314 B9R0.4 CCSCC(=O)OC(C)C 62a_100000210202_100011215430 [0,0,0,0,0,1|2,0,1]=4 2315 B9R0.4 CCSCC(=O)OC(C)C 62a_100011215430_100000210202 [0,0,0,0,0,1|2,0,1]=4 2316 B9R0.4 CN(C)CC(=O)CCCF 1458a_100000750896_100011934791 [0,0,0,0,0,1|3,0,0]=4 2317 B9R0.4 CN(C)CC(=O)CCCO 1458a_100000750896_100011215043 [0,0,0,0,0,1|3,0,0]=4 2318 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,0,0,0,0,1|2,0,0]=3 2319 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,0,0,0,0,1|2,0,0]=3 2320 B9R0.4 CNCCC(=O)NC(C)C 2230a_106832991635_100000737564 [0,0,0,0,0,1|2,0,1]=4 2321 B9R0.4 CNCCC(=O)NC(C)C 7a_106832991635_100000737564 [0,0,0,0,0,1|2,0,1]=4 2322 B9R0.4 CNCCC(=O)OC(C)C 2230a_106832991635_100000760027 [0,0,0,0,0,1|2,0,1]=4 2323 B9R0.4 CNCCC(=O)OC(C)C 7a_106832991635_100000760027 [0,0,0,0,0,1|2,0,1]=4 2324 B9R0.4 COCCC(=O)C=C(C)C 1458a_100000211388_100000233755 [0,0,0,0,0,1|2,0,0]=3 2325 B9R0.4 COCCC(=O)C=C(C)Cl 1458a_200042562850_100000233755 [0,0,0,0,0,1|2,0,0]=3 2326 B9R0.4 COCCC(=O)C=C(C)I 1458a_100025716642_100000233755 [0,0,0,0,0,1|2,0,0]=3 2327 B9R0.4 COCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000233755 [0,0,0,0,0,1|3,0,0]=4 2328 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,0,0,0,0,1|2,0,0]=3 2329 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,0,0,0,0,1|2,0,0]=3 2330 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,0,0,0,0,1|2,0,0]=3 2331 B9R0.4 COCCC(=O)CC(C)C 1458a_100000210554_100000233755 [0,0,0,0,0,1|2,0,1]=4 2332 B9R0.4 COCCC(=O)CC(C)C 1458a_100000749529_100000210624 [0,0,0,0,0,1|2,0,1]=4 2333 B9R0.4 COCCC(=O)CC(C)O 1458a_100000749529_100011218427 [0,0,0,0,0,1|1,0,2]=4 2334 B9R0.4 COCCC(=O)CN(C)C 1458a_100000750896_100000233755 [0,0,0,0,0,1|3,0,0]=4 2335 B9R0.4 COCCC(=O)C[C@@H](C)O 1458a_100011933948_100000233755 [0,0,0,0,0,1|1,0,2]=4 2336 B9R0.4 COCCC(=O)C[N+](=O)[O-] 1458a_100000749529_100000761209 [0,0,0,0,0,1|3,0,0]=4 2337 B9R0.4 COCCC(=O)C[S+](C)C 1458a_200159257847_100000233755 [0,0,0,0,0,1|3,0,0]=4 2338 B9R0.4 COCCC(=O)NC(C)C 11a_100138425928_100000749529 [0,0,0,0,0,1|2,0,1]=4 2339 B9R0.4 COCCC(=O)NC(C)C 1626a_100138425928_100000749529 [0,0,0,0,0,1|2,0,1]=4 2340 B9R0.4 COCCC(=O)NC(C)C 240690a_100138425928_100000749529 [0,0,0,0,0,1|2,0,1]=4 2341 B9R0.4 COCCC(=O)NC(C)C 527a_100138425928_100000749529 [0,0,0,0,0,1|2,0,1]=4 2342 B9R0.4 CSCCC(=O)C=C(C)C 1458a_100000211388_100000751147 [0,0,0,0,0,1|2,0,0]=3 2343 B9R0.4 CSCCC(=O)C=C(C)Cl 1458a_200042562850_100000751147 [0,0,0,0,0,1|2,0,0]=3 2344 B9R0.4 CSCCC(=O)C=C(C)I 1458a_100025716642_100000751147 [0,0,0,0,0,1|2,0,0]=3 2345 B9R0.4 CSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000751147 [0,0,0,0,0,1|3,0,0]=4 2346 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,0,0,0,0,1|2,0,0]=3 2347 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,0,0,0,0,1|2,0,0]=3 2348 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,0,0,0,0,1|2,0,0]=3 2349 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000174002_100000210624 [0,0,0,0,0,1|2,0,1]=4 2350 B9R0.4 CSCCC(=O)CC(C)C 1458a_100000210554_100000751147 [0,0,0,0,0,1|2,0,1]=4 2351 B9R0.4 CSCCC(=O)CC(C)O 1458a_100000174002_100011218427 [0,0,0,0,0,1|1,0,2]=4 2352 B9R0.4 CSCCC(=O)CN(C)C 1458a_100000750896_100000751147 [0,0,0,0,0,1|3,0,0]=4 2353 B9R0.4 CSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000751147 [0,0,0,0,0,1|1,0,2]=4 2354 B9R0.4 CSCCC(=O)C[N+](=O)[O-] 1458a_100000174002_100000761209 [0,0,0,0,0,1|3,0,0]=4 2355 B9R0.4 CSCCC(=O)C[S+](C)C 1458a_200159257847_100000751147 [0,0,0,0,0,1|3,0,0]=4 2356 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,0,0,0,0,1|2,0,0]=3 2357 B9R0.4 CSCCC(=O)NC(C)C 11a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 2358 B9R0.4 CSCCC(=O)NC(C)C 1626a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 2359 B9R0.4 CSCCC(=O)NC(C)C 240690a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 2360 B9R0.4 CSCCC(=O)NC(C)C 527a_100138425928_100000174002 [0,0,0,0,0,1|2,0,1]=4 2361 B9R0.4 CSCCC(=O)NC(C)C 62a_100000737564_200000210301 [0,0,0,0,0,1|2,0,1]=4 2362 B9R0.4 CSCCC(=O)NC(C)C 62a_200000210301_100000737564 [0,0,0,0,0,1|2,0,1]=4 2363 B9R0.4 CSCCC(=O)OC(C)C 62a_100000760027_200000210301 [0,0,0,0,0,1|2,0,1]=4 2364 B9R0.4 CSCCC(=O)OC(C)C 62a_200000210301_100000760027 [0,0,0,0,0,1|2,0,1]=4 2365 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,0,0,0,0,1|1,0,2]=4 2366 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,0,0,0,0,1|1,0,2]=4 2367 B9R0.4 C[S+](C)CC(=O)CCCF 1458a_200159257847_100011934791 [0,0,0,0,0,1|3,0,0]=4 2368 B9R0.4 C[S+](C)CC(=O)CCCO 1458a_200159257847_100011215043 [0,0,0,0,0,1|3,0,0]=4 2369 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100011934036_100000187820 [0,0,0,0,0,1|2,0,1]=4 2370 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100134613110_100011215226 [0,0,0,0,0,1|2,0,1]=4 2371 B9R0.4 N#CCCC(=O)CC(=O)[O-] 1458a_100011934036_100020667443 [0,0,0,0,0,1|2,0,1]=4 2372 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,0,0,0,0,1|2,0,0]=3 2373 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,0,0,0,0,1|2,0,0]=3 2374 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,0,0,0,0,1|3,0,0]=4 2375 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,0,0,0,0,1|3,0,0]=4 2376 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,0,0,0,0,1|3,0,0]=4 2377 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,0,0,0,0,1|3,0,0]=4 2378 B9R0.4 NC(=O)NC(=O)CSCF 62a_100015361967_100000182717 [0,0,0,0,0,1|3,0,0]=4 2379 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,0,0,0,0,1|3,0,0]=4 2380 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,0,0,0,0,1|3,0,0]=4 2381 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,0,0,0,0,1|2,0,0]=3 2382 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|0,0,2]=4 2383 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|0,0,1]=3 2384 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|1,0,1]=4 2385 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|1,0,1]=4 2386 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|1,0,1]=4 2387 B6R0.1 CCC(=O)CCF 1458a_100000210414_100011217306 [2,0,0,0,0,0|1,0,1]=4 2388 B6R0.1 CCC(=O)CCO 1458a_100000210414_100000211926 [2,0,0,0,0,0|1,0,1]=4 2389 B6R0.1 CCC(=O)CCO 1458a_100011216618_100000210202 [2,0,0,0,0,0|1,0,1]=4 2390 B6R0.1 CCC(=O)CNC 7a_106832991635_100000747405 [2,0,0,0,0,0|1,0,1]=4 2391 B6R0.1 CCC(=O)COC 1458a_100000210968_100000210202 [2,0,0,0,0,0|1,0,1]=4 2392 B6R0.1 CCC(=O)COC 34a_100000725409_200000210301 [2,0,0,0,0,0|1,0,1]=4 2393 B6R0.1 CCC(=O)CO[13CH3] 34a_100000725409_200025704644 [2,0,0,0,0,0|1,0,1]=4 2394 B6R0.1 CCC(=O)CSC 1458a_100000184570_100000210202 [2,0,0,0,0,0|1,0,1]=4 2395 B6R0.1 CCC(=O)CSC 62a_100000747405_200000210301 [2,0,0,0,0,0|1,0,1]=4 2396 B6R0.1 CCC(=O)CSC 62a_200000210301_100000747405 [2,0,0,0,0,0|1,0,1]=4 2397 B6R0.1 CCC(=O)CS[13CH3] 62a_100000747405_200025704644 [2,0,0,0,0,0|1,0,1]=4 2398 B6R0.1 CCC(=O)CS[13CH3] 62a_200025704644_100000747405 [2,0,0,0,0,0|1,0,1]=4 2399 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|0,0,1]=3 2400 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|0,0,1]=3 2401 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 2402 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|0,0,2]=4 2403 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|1,0,0]=3 2404 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2405 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2406 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|1,0,0]=3 2407 B6R0.1 CCNC(=O)CC 11a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 2408 B6R0.1 CCNC(=O)CC 240690a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 2409 B6R0.1 CCNC(=O)CC 527a_100015525214_100000210414 [2,0,0,0,0,0|1,0,1]=4 2410 B6R0.1 CCNC(=O)NC 2708a_100015525214_106832991635 [2,0,0,0,0,0|2,0,0]=4 2411 B6R0.1 CCNC(=O)NC 2708a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2412 B6R0.1 CCNC(=O)NC 273464a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2413 B6R0.1 CCNC(=O)NC 273464a_100102657272_100015525214 [2,0,0,0,0,0|2,0,0]=4 2414 B6R0.1 CCNC(=O)NC 512a_100015525214_100102657272 [2,0,0,0,0,0|2,0,0]=4 2415 B6R0.1 CCNC(=O)NC 512a_106832991638_100015525214 [2,0,0,0,0,0|2,0,0]=4 2416 B6R0.1 CNC(=O)CCO 240690a_100102657272_100011216618 [2,0,0,0,0,0|2,0,0]=4 2417 B6R0.1 CNC(=O)CN[13CH3] 2230a_100000693194_200025704644 [2,0,0,0,0,0|2,0,0]=4 2418 B6R0.1 CNC(=O)COC 11a_106832991635_100000210968 [2,0,0,0,0,0|2,0,0]=4 2419 B6R0.1 CNC(=O)COC 1626a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2420 B6R0.1 CNC(=O)COC 240690a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2421 B6R0.1 CNC(=O)COC 34a_100000750040_200000210301 [2,0,0,0,0,0|2,0,0]=4 2422 B6R0.1 CNC(=O)COC 34a_100138415774_100000183359 [2,0,0,0,0,0|2,0,0]=4 2423 B6R0.1 CNC(=O)COC 527a_100102657272_100000210968 [2,0,0,0,0,0|2,0,0]=4 2424 B6R0.1 CNC(=O)CO[13CH3] 34a_100000750040_200025704644 [2,0,0,0,0,0|2,0,0]=4 2425 B6R0.1 CNC(=O)CSC 11a_106832991635_100000184570 [2,0,0,0,0,0|2,0,0]=4 2426 B6R0.1 CNC(=O)CSC 1626a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2427 B6R0.1 CNC(=O)CSC 240690a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2428 B6R0.1 CNC(=O)CSC 527a_100102657272_100000184570 [2,0,0,0,0,0|2,0,0]=4 2429 B6R0.1 CNC(=O)CSC 62a_100000183359_200000210301 [2,0,0,0,0,0|2,0,0]=4 2430 B6R0.1 CNC(=O)CSC 62a_200000210301_100000183359 [2,0,0,0,0,0|2,0,0]=4 2431 B6R0.1 CNC(=O)CS[13CH3] 62a_100000183359_200025704644 [2,0,0,0,0,0|2,0,0]=4 2432 B6R0.1 CNC(=O)CS[13CH3] 62a_200025704644_100000183359 [2,0,0,0,0,0|2,0,0]=4 2433 B6R0.1 CNCC(=O)NC 2230a_100000693194_200000210301 [2,0,0,0,0,0|2,0,0]=4 2434 B6R0.1 CNCC(=O)NC 2230a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2435 B6R0.1 CNCC(=O)NC 34a_100102657272_100000183359 [2,0,0,0,0,0|2,0,0]=4 2436 B6R0.1 CNCC(=O)NC 7a_106832991635_100000183359 [2,0,0,0,0,0|2,0,0]=4 2437 B6R0.1 CNCC(=O)OC 2230a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 2438 B6R0.1 CNCC(=O)OC 34a_100102657272_100000747449 [2,0,0,0,0,0|2,0,0]=4 2439 B6R0.1 CNCC(=O)OC 7a_106832991635_100000747449 [2,0,0,0,0,0|2,0,0]=4 2440 B6R0.1 COC(=O)CSC 62a_100000747449_200000210301 [2,0,0,0,0,0|2,0,0]=4 2441 B6R0.1 COC(=O)CSC 62a_200000210301_100000747449 [2,0,0,0,0,0|2,0,0]=4 2442 B6R0.1 COC(=O)CS[13CH3] 62a_100000747449_200025704644 [2,0,0,0,0,0|2,0,0]=4 2443 B6R0.1 COC(=O)CS[13CH3] 62a_200025704644_100000747449 [2,0,0,0,0,0|2,0,0]=4 2444 B6R0.1 COCC(=O)OC 34a_100138415774_100000747449 [2,0,0,0,0,0|2,0,0]=4 2445 B6R0.4 C#CCCC(=O)C 1458a_100000070787_100000753159 [2,0,0,0,0,0|0,0,2]=4 2446 B6R0.4 C#CCCC(=O)C 1458a_100000692101_200000210301 [2,0,0,0,0,0|0,0,2]=4 2447 B6R0.4 C#CCCC(=O)[13CH3] 1458a_100000692101_200025704644 [2,0,0,0,0,0|0,0,2]=4 2448 B6R0.4 C/C=C/CC(=O)C 1458a_100000070787_100102629194 [2,0,0,0,0,0|0,0,2]=4 2449 B6R0.4 C=C(Br)CCOC 34a_100009813270_200000210301 [2,0,0,0,0,0|2,0,0]=4 2450 B6R0.4 C=C(Br)CCO[13CH3] 34a_100009813270_200025704644 [2,0,0,0,0,0|2,0,0]=4 2451 B6R0.4 C=C(C)CCNC 2230a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2452 B6R0.4 C=C(C)CCNC 34a_100102657272_100000730704 [2,0,0,0,0,0|2,0,0]=4 2453 B6R0.4 C=C(C)CCNC 7a_106832991635_100000730704 [2,0,0,0,0,0|2,0,0]=4 2454 B6R0.4 C=C(C)CCOC 34a_100000764851_200000210301 [2,0,0,0,0,0|2,0,0]=4 2455 B6R0.4 C=C(C)CCOC 34a_100138415774_100000730704 [2,0,0,0,0,0|2,0,0]=4 2456 B6R0.4 C=C(C)CCO[13CH3] 34a_100000764851_200025704644 [2,0,0,0,0,0|2,0,0]=4 2457 B6R0.4 C=C(C)CCSC 62a_100000730704_200000210301 [2,0,0,0,0,0|2,0,0]=4 2458 B6R0.4 C=C(C)CCSC 62a_200000210301_100000730704 [2,0,0,0,0,0|2,0,0]=4 2459 B6R0.4 C=C(C)CCS[13CH3] 62a_100000730704_200025704644 [2,0,0,0,0,0|2,0,0]=4 2460 B6R0.4 C=C(C)CCS[13CH3] 62a_200025704644_100000730704 [2,0,0,0,0,0|2,0,0]=4 2461 B6R0.4 C=C(C)CNCC 2230a_100015525214_100000748629 [2,0,0,0,0,0|2,0,0]=4 2462 B6R0.4 C=C(C)COCC 34a_100000210245_100000210202 [2,0,0,0,0,0|2,0,0]=4 2463 B6R0.4 C=C(C)COCC 34a_100121572206_100000748629 [2,0,0,0,0,0|2,0,0]=4 2464 B6R0.4 C=C(C)CSCC 62a_100000210202_100000211660 [2,0,0,0,0,0|2,0,0]=4 2465 B6R0.4 C=C(C)CSCC 62a_100000748629_100000210202 [2,0,0,0,0,0|2,0,0]=4 2466 B6R0.4 C=C(F)CNCC 2230a_100015525214_100009893438 [2,0,0,0,0,0|2,0,0]=4 2467 B6R0.4 C=C(F)COCC 34a_100121572206_100009893438 [2,0,0,0,0,0|2,0,0]=4 2468 B6R0.4 C=C(F)COCC 34a_200010262243_100000210202 [2,0,0,0,0,0|2,0,0]=4 2469 B6R0.4 C=C(F)CSCC 62a_100000042424_100000210202 [2,0,0,0,0,0|2,0,0]=4 2470 B6R0.4 C=C(F)CSCC 62a_100000210202_100000042424 [2,0,0,0,0,0|2,0,0]=4 2471 B6R0.4 C=CCCC(=O)C 1458a_100000070787_100000754431 [2,0,0,0,0,0|0,0,2]=4 2472 B6R0.4 C=CCCC(=O)C 1458a_100000749702_200000210301 [2,0,0,0,0,0|0,0,2]=4 2473 B6R0.4 C=CCCC(=O)[13CH3] 1458a_100000749702_200025704644 [2,0,0,0,0,0|0,0,2]=4 2474 B6R0.4 CC#CCC(=O)C 1458a_100000070787_100000748600 [2,0,0,0,0,0|0,0,2]=4 2475 B6R0.4 CC(=CCN[13CH3])C 34a_100000718196_200025704644 [2,0,0,0,0,0|2,0,0]=4 2476 B6R0.4 CC(=CCO[13CH3])C 34a_100000753907_200025704644 [2,0,0,0,0,0|2,0,0]=4 2477 B6R0.4 CC(=CCS[13CH3])C 62a_100000761012_200025704644 [2,0,0,0,0,0|2,0,0]=4 2478 B6R0.4 CC(=CCS[13CH3])C 62a_200025704644_100000761012 [2,0,0,0,0,0|2,0,0]=4 2479 B6R0.4 CC(=O)CCC#N 1458a_100000070787_100011215226 [2,0,0,0,0,0|1,0,1]=4 2480 B6R0.4 CC(=O)CCC#N 1458a_100011934036_200000210301 [2,0,0,0,0,0|1,0,1]=4 2481 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,0]=3 2482 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,0]=3 2483 B6R0.4 CC(=O)CCO[13CH3] 34a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2484 B6R0.4 CC(=O)CCO[13CH3] 7a_100000759926_200025704644 [2,0,0,0,0,0|1,0,0]=3 2485 B6R0.4 CC(=O)CCS[13CH3] 62a_100000053229_200025704644 [2,0,0,0,0,0|1,0,0]=3 2486 B6R0.4 CC(=O)CCS[13CH3] 62a_200025704644_100000053229 [2,0,0,0,0,0|1,0,0]=3 2487 B6R0.4 CC(=O)COCF 34a_100000211253_100015361967 [2,0,0,0,0,0|2,0,0]=4 2488 B6R0.4 CC(=O)NCCF 11a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2489 B6R0.4 CC(=O)NCCF 1626a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2490 B6R0.4 CC(=O)NCCF 240690a_100000724931_100015343762 [2,0,0,0,0,0|2,0,0]=4 2491 B6R0.4 CC(=O)NCCF 527a_100000724931_100103153847 [2,0,0,0,0,0|2,0,0]=4 2492 B6R0.4 CC(=O)NCCO 240690a_100000210304_100015343762 [2,0,0,0,0,0|2,0,0]=4 2493 B6R0.4 CC(=O)NCCO 527a_100000210304_100103153847 [2,0,0,0,0,0|2,0,0]=4 2494 B6R0.4 CC(=O)OCS[13CH3] 62a_100000076356_200025704644 [2,0,0,0,0,0|2,0,0]=4 2495 B6R0.4 CC(=O)OCS[13CH3] 62a_200025704644_100000076356 [2,0,0,0,0,0|2,0,0]=4 2496 B6R0.4 CC=CCC(=O)C 1458a_100000070787_100000070051 [2,0,0,0,0,0|0,0,2]=4 2497 B6R0.4 CC=CCC(=O)C 1458a_100121576822_200000210301 [2,0,0,0,0,0|0,0,2]=4 2498 B6R0.4 CC=CCC(=O)[13CH3] 1458a_100121576822_200025704644 [2,0,0,0,0,0|0,0,2]=4 2499 B6R0.4 CCC#CC(=O)C 1458a_100011827653_200000210301 [2,0,0,0,0,0|0,0,2]=4 2500 B6R0.4 CCC#CC(=O)[13CH3] 1458a_100011827653_200025704644 [2,0,0,0,0,0|0,0,2]=4 2501 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|0,0,1]=3 2502 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|0,0,1]=3 2503 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|0,0,0]=2 2504 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|0,0,0]=2 2505 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|0,0,0]=2 2506 B6R0.4 CCCCN(C)C 2230a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 2507 B6R0.4 CCCCN(C)C 2230a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 2508 B6R0.4 CCCCN(C)C 269982a_100000207549_200000210301 [2,0,0,0,0,0|2,0,0]=4 2509 B6R0.4 CCCCN(C)C 269982a_100102631434_100000210211 [2,0,0,0,0,0|2,0,0]=4 2510 B6R0.4 CCCCN(C)[13CH3] 2230a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 2511 B6R0.4 CCCCN(C)[13CH3] 269982a_100000207549_200025704644 [2,0,0,0,0,0|2,0,0]=4 2512 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2513 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2514 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|1,0,0]=3 2515 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|1,0,0]=3 2516 B6R0.4 CCNCC(=O)N 2230a_100000711301_100000210202 [2,0,0,0,0,0|2,0,0]=4 2517 B6R0.4 CCNCC(=O)N 2230a_100015525214_100000747473 [2,0,0,0,0,0|2,0,0]=4 2518 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 2519 B6R0.4 CCNNC(=O)C 22a_100000756455_100000070787 [2,0,0,0,0,0|2,0,0]=4 2520 B6R0.4 CCOCC(=O)C 1458a_100000211967_200000210301 [2,0,0,0,0,0|1,0,0]=3 2521 B6R0.4 CCOCC(=O)C 34a_100000211253_100000210202 [2,0,0,0,0,0|1,0,0]=3 2522 B6R0.4 CCOCC(=O)N 34a_100121572206_100000187820 [2,0,0,0,0,0|2,0,0]=4 2523 B6R0.4 CCOCC(=O)[13CH3] 1458a_100000211967_200025704644 [2,0,0,0,0,0|1,0,0]=3 2524 B6R0.4 CCOCC(=O)[O-] 34a_100121572206_100020667443 [2,0,0,0,0,0|1,0,1]=4 2525 B6R0.4 CCSCC(=O)C 1458a_100000230394_200000210301 [2,0,0,0,0,0|1,0,0]=3 2526 B6R0.4 CCSCC(=O)N 62a_100000210202_100000747473 [2,0,0,0,0,0|2,0,0]=4 2527 B6R0.4 CCSCC(=O)N 62a_100000747473_100000210202 [2,0,0,0,0,0|2,0,0]=4 2528 B6R0.4 CCSCC(=O)[13CH3] 1458a_100000230394_200025704644 [2,0,0,0,0,0|1,0,0]=3 2529 B6R0.4 CCSCC(=O)[O-] 62a_100000210202_100020667443 [2,0,0,0,0,0|1,0,1]=4 2530 B6R0.4 CCSCC(=O)[O-] 62a_100020667443_100000210202 [2,0,0,0,0,0|1,0,1]=4 2531 B6R0.4 CNCC=C(C)C 2230a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 2532 B6R0.4 CNCC=C(C)C 34a_100000718196_200000210301 [2,0,0,0,0,0|2,0,0]=4 2533 B6R0.4 CNCC=C(C)C 34a_100102657272_100000761012 [2,0,0,0,0,0|2,0,0]=4 2534 B6R0.4 CNCC=C(C)C 7a_106832991635_100000761012 [2,0,0,0,0,0|2,0,0]=4 2535 B6R0.4 CNCCC(=O)C 7a_106832991635_100000053229 [2,0,0,0,0,0|1,0,0]=3 2536 B6R0.4 CNCCC(=O)N 2230a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2537 B6R0.4 CNCCC(=O)N 34a_100102657272_100000731001 [2,0,0,0,0,0|2,0,0]=4 2538 B6R0.4 CNCCC(=O)N 7a_106832991635_100000744528 [2,0,0,0,0,0|2,0,0]=4 2539 B6R0.4 CNCOC(=O)C 34a_100102657272_100009813279 [2,0,0,0,0,0|2,0,0]=4 2540 B6R0.4 COC=CC(=O)C 1458a_100016268678_200000210301 [2,0,0,0,0,0|1,0,1]=4 2541 B6R0.4 COC=CC(=O)[13CH3] 1458a_100016268678_200025704644 [2,0,0,0,0,0|1,0,1]=4 2542 B6R0.4 COCC=C(C)C 34a_100000753907_200000210301 [2,0,0,0,0,0|2,0,0]=4 2543 B6R0.4 COCC=C(C)C 34a_100138415774_100000761012 [2,0,0,0,0,0|2,0,0]=4 2544 B6R0.4 COCCC(=O)C 1458a_100000070787_100000233755 [2,0,0,0,0,0|1,0,0]=3 2545 B6R0.4 COCCC(=O)C 1458a_100000749529_200000210301 [2,0,0,0,0,0|1,0,0]=3 2546 B6R0.4 COCCC(=O)C 34a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2547 B6R0.4 COCCC(=O)C 7a_100000759926_200000210301 [2,0,0,0,0,0|1,0,0]=3 2548 B6R0.4 COCCC(=O)N 34a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2549 B6R0.4 COCCC(=O)N 34a_100138415774_100000731001 [2,0,0,0,0,0|2,0,0]=4 2550 B6R0.4 COCCC(=O)N 7a_100000757172_200000210301 [2,0,0,0,0,0|2,0,0]=4 2551 B6R0.4 COCCC(=O)[13CH3] 1458a_100000749529_200025704644 [2,0,0,0,0,0|1,0,0]=3 2552 B6R0.4 COCOC(=O)C 34a_100138415774_100009813279 [2,0,0,0,0,0|2,0,0]=4 2553 B6R0.4 CSCC=C(C)C 62a_100000761012_200000210301 [2,0,0,0,0,0|2,0,0]=4 2554 B6R0.4 CSCC=C(C)C 62a_200000210301_100000761012 [2,0,0,0,0,0|2,0,0]=4 2555 B6R0.4 CSCCC(=O)C 1458a_100000070787_100000751147 [2,0,0,0,0,0|1,0,0]=3 2556 B6R0.4 CSCCC(=O)C 1458a_100000174002_200000210301 [2,0,0,0,0,0|1,0,0]=3 2557 B6R0.4 CSCCC(=O)C 62a_100000053229_200000210301 [2,0,0,0,0,0|1,0,0]=3 2558 B6R0.4 CSCCC(=O)C 62a_200000210301_100000053229 [2,0,0,0,0,0|1,0,0]=3 2559 B6R0.4 CSCCC(=O)N 62a_100000744528_200000210301 [2,0,0,0,0,0|2,0,0]=4 2560 B6R0.4 CSCCC(=O)N 62a_200000210301_100000744528 [2,0,0,0,0,0|2,0,0]=4 2561 B6R0.4 CSCCC(=O)[13CH3] 1458a_100000174002_200025704644 [2,0,0,0,0,0|1,0,0]=3 2562 B6R0.4 CSCOC(=O)C 62a_100000076356_200000210301 [2,0,0,0,0,0|2,0,0]=4 2563 B6R0.4 CSCOC(=O)C 62a_200000210301_100000076356 [2,0,0,0,0,0|2,0,0]=4 2564 B6R0.4 [13CH3]C(=O)CCC#N 1458a_100011934036_200025704644 [2,0,0,0,0,0|1,0,1]=4 2565 B6R0.4 [13CH3]OCCC(=O)N 34a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2566 B6R0.4 [13CH3]OCCC(=O)N 7a_100000757172_200025704644 [2,0,0,0,0,0|2,0,0]=4 2567 B6R0.4 [13CH3]SCCC(=O)N 62a_100000744528_200025704644 [2,0,0,0,0,0|2,0,0]=4 2568 B6R0.4 [13CH3]SCCC(=O)N 62a_200025704644_100000744528 [2,0,0,0,0,0|2,0,0]=4 2569 B6R0.6 C/C=C/CCOC 34a_100016278192_200000210301 [2,0,0,0,0,0|1,0,0]=3 2570 B6R0.6 C/C=C/CCO[13CH3] 34a_100016278192_200025704644 [2,0,0,0,0,0|1,0,0]=3 2571 B6R0.6 C/C=C/COCC 34a_100016270725_100000210202 [2,0,0,0,0,0|1,0,0]=3 2572 B6R0.6 C/C=C/COCC 34a_100121572206_100102629194 [2,0,0,0,0,0|1,0,0]=3 2573 B6R0.6 C/C=C/COCF 34a_100016270725_100015361967 [2,0,0,0,0,0|2,0,0]=4 2574 B6R0.6 C/C=C/CSCC 62a_100000210202_100102629194 [2,0,0,0,0,0|1,0,0]=3 2575 B6R0.6 C/C=C/CSCC 62a_100102629194_100000210202 [2,0,0,0,0,0|1,0,0]=3 2576 B6R0.6 C/C=C/CSCF 62a_100015361967_100102629194 [2,0,0,0,0,0|2,0,0]=4 2577 B6R0.6 C/C=C/CSCF 62a_100102629194_100015361967 [2,0,0,0,0,0|2,0,0]=4 2578 B6R0.6 CC=CCNCC 2230a_100015525214_100000070051 [2,0,0,0,0,0|1,0,0]=3 2579 B6R0.6 CC=CCOCC 34a_100121572206_100000070051 [2,0,0,0,0,0|1,0,0]=3 2580 B6R0.6 CC=CCSCC 62a_100000070051_100000210202 [2,0,0,0,0,0|1,0,0]=3 2581 B6R0.6 CC=CCSCC 62a_100000210202_100000070051 [2,0,0,0,0,0|1,0,0]=3 2582 B6R0.6 CC=CCSCF 62a_100000070051_100015361967 [2,0,0,0,0,0|2,0,0]=4 2583 B6R0.6 CC=CCSCF 62a_100015361967_100000070051 [2,0,0,0,0,0|2,0,0]=4 2584 B6R0.6 CC=NNCCC 4a_100000740057_200000210099 [2,0,0,0,0,0|2,0,0]=4 2585 B6R0.6 CCCCCNC 2230a_100000209983_200000210301 [2,0,0,0,0,0|1,0,1]=4 2586 B6R0.6 CCCCCNC 2230a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2587 B6R0.6 CCCCCNC 34a_100102657272_100000718602 [2,0,0,0,0,0|1,0,1]=4 2588 B6R0.6 CCCCCNC 7a_106832991635_100000210326 [2,0,0,0,0,0|1,0,1]=4 2589 B6R0.6 CCCCCN[13CH3] 2230a_100000209983_200025704644 [2,0,0,0,0,0|1,0,1]=4 2590 B6R0.6 CCCCCOC 34a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2591 B6R0.6 CCCCCOC 34a_100138415774_100000718602 [2,0,0,0,0,0|1,0,1]=4 2592 B6R0.6 CCCCCOC 7a_100000210253_200000210301 [2,0,0,0,0,0|1,0,1]=4 2593 B6R0.6 CCCCCO[13CH3] 34a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2594 B6R0.6 CCCCCO[13CH3] 7a_100000210253_200025704644 [2,0,0,0,0,0|1,0,1]=4 2595 B6R0.6 CCCCCSC 62a_100000210326_200000210301 [2,0,0,0,0,0|1,0,1]=4 2596 B6R0.6 CCCCCSC 62a_200000210301_100000210326 [2,0,0,0,0,0|1,0,1]=4 2597 B6R0.6 CCCCCS[13CH3] 62a_100000210326_200025704644 [2,0,0,0,0,0|1,0,1]=4 2598 B6R0.6 CCCCCS[13CH3] 62a_200025704644_100000210326 [2,0,0,0,0,0|1,0,1]=4 2599 B6R0.6 CCCCNCC 2230a_100000102301_100000210202 [2,0,0,0,0,0|1,0,1]=4 2600 B6R0.6 CCCCNCC 2230a_100015525214_100000210211 [2,0,0,0,0,0|1,0,1]=4 2601 B6R0.6 CCCCNCC 7a_106832991798_100000210202 [2,0,0,0,0,0|1,0,1]=4 2602 B6R0.6 CCCCOCC 34a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2603 B6R0.6 CCCCOCC 34a_100121572206_100000210210 [2,0,0,0,0,0|1,0,1]=4 2604 B6R0.6 CCCCOCC 7a_100000210227_100000210202 [2,0,0,0,0,0|1,0,1]=4 2605 B6R0.6 CCCCSCC 62a_100000210202_100000210210 [2,0,0,0,0,0|1,0,1]=4 2606 B6R0.6 CCCCSCC 62a_100000210211_100000210202 [2,0,0,0,0,0|1,0,1]=4 2607 B6R0.6 CCCOCC=O 34a_100000210258_200009817547 [2,0,0,0,0,0|1,0,1]=4 2608 B6R0.6 CCCSCC=O 62a_100000210303_200015260668 [2,0,0,0,0,0|1,0,1]=4 2609 B6R0.6 CCCSCC=O 62a_200015260668_100000210303 [2,0,0,0,0,0|1,0,1]=4 2610 B6R0.6 CNCCCC=O 2230a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2611 B6R0.6 CNCCCC=O 7a_106832991635_200011292268 [2,0,0,0,0,0|1,0,1]=4 2612 B6R0.6 CSCCCC=O 62a_200000210301_200011292268 [2,0,0,0,0,0|1,0,1]=4 2613 B6R0.6 CSCCCC=O 62a_200011292268_200000210301 [2,0,0,0,0,0|1,0,1]=4 2614 B6R0.6 [13CH3]SCCCC=O 62a_200011292268_200025704644 [2,0,0,0,0,0|1,0,1]=4 2615 B6R0.6 [13CH3]SCCCC=O 62a_200025704644_200011292268 [2,0,0,0,0,0|1,0,1]=4 2616 B6R0.3 C/C=C(\C)/C(=O)C 1458a_100020587367_200000210301 [2,0,0,0,0,0|1,0,1]=4 2617 B6R0.3 C/C=C(\C)/C(=O)[13CH3] 1458a_100020587367_200025704644 [2,0,0,0,0,0|1,0,1]=4 2618 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|1,0,0]=3 2619 B6R0.3 C=C(C)C(=O)CF 1458a_100000185857_100015361967 [2,0,0,0,0,0|2,0,0]=4 2620 B6R0.3 C=C(C)C(=O)NC 11a_106832991635_100000185857 [2,0,0,0,0,0|2,0,0]=4 2621 B6R0.3 C=C(C)C(=O)NC 1626a_100102657272_100000185857 [2,0,0,0,0,0|2,0,0]=4 2622 B6R0.3 CCC(=O)C(C)C 1458a_100000210198_100000210202 [2,0,0,0,0,0|1,0,1]=4 2623 B6R0.3 CCC(=O)C(C)C 1458a_100000210414_100000210206 [2,0,0,0,0,0|1,0,1]=4 2624 B6R0.3 CCC(=O)C(C)F 1458a_100000062450_100000210202 [2,0,0,0,0,0|1,0,1]=4 2625 B6R0.3 CCC(=O)N(C)C 11a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 2626 B6R0.3 CCC(=O)N(C)C 1626a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 2627 B6R0.3 CCC(=O)N(C)C 240690a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 2628 B6R0.3 CCC(=O)N(C)C 527a_100102631434_100000210414 [2,0,0,0,0,0|2,0,0]=4 2629 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|0,0,2]=4 2630 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|0,0,2]=4 2631 B6R0.3 CCC(C)C(=O)C 1458a_100000070787_100000758301 [2,0,0,0,0,0|1,0,1]=4 2632 B6R0.3 CCC(C)C(=O)C 1458a_100011192722_200000210301 [2,0,0,0,0,0|1,0,1]=4 2633 B6R0.3 CCC(C)C(=O)[13CH3] 1458a_100011192722_200025704644 [2,0,0,0,0,0|1,0,1]=4 2634 B6R0.3 CCC(O)C(=O)C 1458a_100011196387_200000210301 [2,0,0,0,0,0|0,0,2]=4 2635 B6R0.3 CCC(O)C(=O)[13CH3] 1458a_100011196387_200025704644 [2,0,0,0,0,0|0,0,2]=4 2636 B6R0.3 CCN(C)C(=O)C 11a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2637 B6R0.3 CCN(C)C(=O)C 1626a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2638 B6R0.3 CCN(C)C(=O)C 240690a_100000225621_100015343762 [2,0,0,0,0,0|2,0,0]=4 2639 B6R0.3 CCN(C)C(=O)C 527a_100000225621_100103153847 [2,0,0,0,0,0|2,0,0]=4 2640 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|1,0,0]=3 2641 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [2,0,0,0,0,0|2,0,0]=4 2642 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|1,0,0]=3 2643 B8R0.1 C#CCC(=O)CCCC 1458a_100000210183_100000184674 [1,1,0,0,0,0|0,0,2]=4 2644 B8R0.1 C#CCC(=O)CCCC 1458a_100011220946_100000210211 [1,1,0,0,0,0|0,0,2]=4 2645 B8R0.1 C#CCCC(=O)C=CC 1458a_100000210699_100000753159 [1,1,0,0,0,0|0,0,2]=4 2646 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|0,0,1]=3 2647 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|0,0,1]=3 2648 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,1,0,0,0,0|1,0,1]=4 2649 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|1,0,1]=4 2650 B8R0.1 C=CCC(=O)CCOC 1458a_100000210193_100000233755 [1,1,0,0,0,0|1,0,1]=4 2651 B8R0.1 C=CCC(=O)CCOC 1458a_100000749529_100000210623 [1,1,0,0,0,0|1,0,1]=4 2652 B8R0.1 C=CCC(=O)CCSC 1458a_100000174002_100000210623 [1,1,0,0,0,0|1,0,1]=4 2653 B8R0.1 C=CCC(=O)CCSC 1458a_100000210193_100000751147 [1,1,0,0,0,0|1,0,1]=4 2654 B8R0.1 C=CCC(=O)COCC 1458a_100000211967_100000210623 [1,1,0,0,0,0|1,0,1]=4 2655 B8R0.1 C=CCC(=O)CSCC 1458a_100000230394_100000210623 [1,1,0,0,0,0|1,0,1]=4 2656 B8R0.1 C=CCC(=O)NCCC 11a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2657 B8R0.1 C=CCC(=O)NCCC 1626a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2658 B8R0.1 C=CCC(=O)NCCC 240690a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2659 B8R0.1 C=CCC(=O)NCCC 527a_100020643023_100000210193 [1,1,0,0,0,0|1,0,1]=4 2660 B8R0.1 C=CCCC(=O)C=CC 1458a_100000210699_100000754431 [1,1,0,0,0,0|0,0,2]=4 2661 B8R0.1 C=COC(=O)CNCC 2230a_100015525214_100000036128 [1,1,0,0,0,0|1,0,1]=4 2662 B8R0.1 C=COC(=O)COCC 34a_100121572206_100000036128 [1,1,0,0,0,0|1,0,1]=4 2663 B8R0.1 C=COC(=O)CSCC 62a_100000036128_100000210202 [1,1,0,0,0,0|1,0,1]=4 2664 B8R0.1 C=COC(=O)CSCC 62a_100000210202_100000036128 [1,1,0,0,0,0|1,0,1]=4 2665 B8R0.1 CC#CC(=O)CCCC 1458a_100000763181_100000210211 [1,1,0,0,0,0|0,0,1]=3 2666 B8R0.1 CC#CC(=O)CCCF 1458a_100000763181_100011934791 [1,1,0,0,0,0|1,0,1]=4 2667 B8R0.1 CC#CC(=O)CCCO 1458a_100000763181_100011215043 [1,1,0,0,0,0|1,0,1]=4 2668 B8R0.1 CC#CC(=O)CCOC 1458a_100000763181_100000233755 [1,1,0,0,0,0|1,0,1]=4 2669 B8R0.1 CC#CC(=O)CCSC 1458a_100000763181_100000751147 [1,1,0,0,0,0|1,0,1]=4 2670 B8R0.1 CC#CCC(=O)C=CC 1458a_100000210699_100000748600 [1,1,0,0,0,0|0,0,2]=4 2671 B8R0.1 CC=CC(=O)C/C=C/C 1458a_100000210699_100102629194 [1,1,0,0,0,0|0,0,2]=4 2672 B8R0.1 CC=CC(=O)CCC#N 1458a_100000210699_100011215226 [1,1,0,0,0,0|1,0,1]=4 2673 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|0,0,0]=2 2674 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|1,0,0]=3 2675 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|1,0,0]=3 2676 B8R0.1 CC=CC(=O)CCOC 1458a_100000210699_100000233755 [1,1,0,0,0,0|1,0,0]=3 2677 B8R0.1 CC=CC(=O)CCSC 1458a_100000210699_100000751147 [1,1,0,0,0,0|1,0,0]=3 2678 B8R0.1 CC=CC(=O)NCCC 11a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2679 B8R0.1 CC=CC(=O)NCCC 1626a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2680 B8R0.1 CC=CC(=O)NCCC 240690a_100020643023_100000210699 [1,1,0,0,0,0|1,0,0]=3 2681 B8R0.1 CC=CC(=O)NCCF 11a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2682 B8R0.1 CC=CC(=O)NCCF 1626a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2683 B8R0.1 CC=CC(=O)NCCF 240690a_100000724931_100000210699 [1,1,0,0,0,0|2,0,0]=4 2684 B8R0.1 CC=CC(=O)NCCO 240690a_100000210304_100000210699 [1,1,0,0,0,0|2,0,0]=4 2685 B8R0.1 CC=CC(=O)NNCC 22a_100000756455_100000210699 [1,1,0,0,0,0|2,0,0]=4 2686 B8R0.1 CC=CCC(=O)C=CC 1458a_100000210699_100000070051 [1,1,0,0,0,0|0,0,2]=4 2687 B8R0.1 CCCC(=O)CCCF 1458a_100000211992_100011934791 [1,1,0,0,0,0|1,0,1]=4 2688 B8R0.1 CCCC(=O)CCCO 1458a_100000211992_100011215043 [1,1,0,0,0,0|1,0,1]=4 2689 B8R0.1 CCCC(=O)CCOC 1458a_100000211992_100000233755 [1,1,0,0,0,0|1,0,1]=4 2690 B8R0.1 CCCC(=O)CCOC 1458a_100000749529_100000210303 [1,1,0,0,0,0|1,0,1]=4 2691 B8R0.1 CCCC(=O)CCSC 1458a_100000174002_100000210303 [1,1,0,0,0,0|1,0,1]=4 2692 B8R0.1 CCCC(=O)CCSC 1458a_100000211992_100000751147 [1,1,0,0,0,0|1,0,1]=4 2693 B8R0.1 CCCC(=O)CNCC 2230a_100015525214_100000747444 [1,1,0,0,0,0|1,0,1]=4 2694 B8R0.1 CCCC(=O)COCC 1458a_100000211967_100000210303 [1,1,0,0,0,0|1,0,1]=4 2695 B8R0.1 CCCC(=O)CSCC 1458a_100000230394_100000210303 [1,1,0,0,0,0|1,0,1]=4 2696 B8R0.1 CCCC(=O)CSCC 62a_100000210202_100000747444 [1,1,0,0,0,0|1,0,1]=4 2697 B8R0.1 CCCC(=O)CSCC 62a_100000747444_100000210202 [1,1,0,0,0,0|1,0,1]=4 2698 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|0,0,1]=3 2699 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|0,0,1]=3 2700 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|0,0,1]=3 2701 B8R0.1 CCCCC(=O)CC#N 1458a_100000210183_100011214920 [1,1,0,0,0,0|0,0,2]=4 2702 B8R0.1 CCCCC(=O)CC#N 1458a_100051588842_100000210211 [1,1,0,0,0,0|0,0,2]=4 2703 B8R0.1 CCCCC(=O)CCC 1458a_100000210183_100000210303 [1,1,0,0,0,0|0,0,1]=3 2704 B8R0.1 CCCCC(=O)CCC 1458a_100000211992_100000210211 [1,1,0,0,0,0|0,0,1]=3 2705 B8R0.1 CCCCC(=O)CCF 1458a_100000210183_100011217306 [1,1,0,0,0,0|0,0,1]=3 2706 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|0,0,1]=3 2707 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|0,0,1]=3 2708 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|0,0,1]=3 2709 B8R0.1 CCCCC(=O)CSC 1458a_100000184570_100000210211 [1,1,0,0,0,0|0,0,1]=3 2710 B8R0.1 CCCCC(=O)NCC 11a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 2711 B8R0.1 CCCCC(=O)NCC 240690a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 2712 B8R0.1 CCCCC(=O)NCC 527a_100015525214_100000210183 [1,1,0,0,0,0|0,0,1]=3 2713 B8R0.1 CCCCC(=O)NNC 22a_100016993582_100000210183 [1,1,0,0,0,0|1,0,0]=3 2714 B8R0.1 CCCCN(C)CC=O 2230a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2715 B8R0.1 CCCCN(C)CC=O 269982a_100000207549_200015260668 [1,1,0,0,0,0|2,0,0]=4 2716 B8R0.1 CCCNC(=O)C=CBr 1626a_100020643023_100016273825 [1,1,0,0,0,0|1,0,1]=4 2717 B8R0.1 CCCNC(=O)C=CBr 240690a_100020643023_100016273825 [1,1,0,0,0,0|1,0,1]=4 2718 B8R0.1 CCCNC(=O)C=CCl 11a_100020643023_200016279998 [1,1,0,0,0,0|1,0,1]=4 2719 B8R0.1 CCCNC(=O)C=CCl 1626a_100020643023_200016279998 [1,1,0,0,0,0|1,0,1]=4 2720 B8R0.1 CCCNC(=O)C=CCl 240690a_100020643023_200016279998 [1,1,0,0,0,0|1,0,1]=4 2721 B8R0.1 CCCNC(=O)C=CI 1626a_100020643023_100016256311 [1,1,0,0,0,0|1,0,1]=4 2722 B8R0.1 CCCNC(=O)CCC 11a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2723 B8R0.1 CCCNC(=O)CCC 1626a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2724 B8R0.1 CCCNC(=O)CCC 240690a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2725 B8R0.1 CCCNC(=O)CCC 527a_100020643023_100000211992 [1,1,0,0,0,0|1,0,1]=4 2726 B8R0.1 CCCNC(=O)CCO 240690a_100020643023_100011216618 [1,1,0,0,0,0|1,0,1]=4 2727 B8R0.1 CCCNC(=O)CNC 2230a_100000174927_200000210301 [1,1,0,0,0,0|1,0,1]=4 2728 B8R0.1 CCCNC(=O)CNC 2230a_106832991635_100000183358 [1,1,0,0,0,0|1,0,1]=4 2729 B8R0.1 CCCNC(=O)CNC 34a_100102657272_100000183358 [1,1,0,0,0,0|1,0,1]=4 2730 B8R0.1 CCCNC(=O)CNC 7a_106832991635_100000183358 [1,1,0,0,0,0|1,0,1]=4 2731 B8R0.1 CCCNC(=O)CN[13CH3] 2230a_100000174927_200025704644 [1,1,0,0,0,0|1,0,1]=4 2732 B8R0.1 CCCNC(=O)COC 11a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 2733 B8R0.1 CCCNC(=O)COC 1626a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 2734 B8R0.1 CCCNC(=O)COC 240690a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 2735 B8R0.1 CCCNC(=O)COC 34a_100138415774_100000183358 [1,1,0,0,0,0|1,0,1]=4 2736 B8R0.1 CCCNC(=O)COC 527a_100020643023_100000210968 [1,1,0,0,0,0|1,0,1]=4 2737 B8R0.1 CCCNC(=O)CSC 11a_100020643023_100000184570 [1,1,0,0,0,0|1,0,1]=4 2738 B8R0.1 CCCNC(=O)CSC 1626a_100020643023_100000184570 [1,1,0,0,0,0|1,0,1]=4 2739 B8R0.1 CCCNC(=O)CSC 240690a_100020643023_100000184570 [1,1,0,0,0,0|1,0,1]=4 2740 B8R0.1 CCCNC(=O)CSC 527a_100020643023_100000184570 [1,1,0,0,0,0|1,0,1]=4 2741 B8R0.1 CCCNC(=O)CSC 62a_100000183358_200000210301 [1,1,0,0,0,0|1,0,1]=4 2742 B8R0.1 CCCNC(=O)CSC 62a_200000210301_100000183358 [1,1,0,0,0,0|1,0,1]=4 2743 B8R0.1 CCCNC(=O)CS[13CH3] 62a_100000183358_200025704644 [1,1,0,0,0,0|1,0,1]=4 2744 B8R0.1 CCCNC(=O)CS[13CH3] 62a_200025704644_100000183358 [1,1,0,0,0,0|1,0,1]=4 2745 B8R0.1 CCCNC(=O)NCC 2708a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2746 B8R0.1 CCCNC(=O)NCC 2708a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2747 B8R0.1 CCCNC(=O)NCC 273464a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2748 B8R0.1 CCCNC(=O)NCC 273464a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2749 B8R0.1 CCCNC(=O)NCC 512a_100015525214_100020643023 [1,1,0,0,0,0|1,0,1]=4 2750 B8R0.1 CCCNC(=O)NCC 512a_100020643023_100015525214 [1,1,0,0,0,0|1,0,1]=4 2751 B8R0.1 CCCNC(=O)NNC 273464a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2752 B8R0.1 CCCNC(=O)NNC 512a_100016993582_100020643023 [1,1,0,0,0,0|2,0,0]=4 2753 B8R0.1 CCCNC(=O)NNC 512a_100020643023_100016993582 [1,1,0,0,0,0|2,0,0]=4 2754 B8R0.1 CCCOC(=O)CNC 2230a_106832991635_200011215008 [1,1,0,0,0,0|1,0,1]=4 2755 B8R0.1 CCCOC(=O)CNC 34a_100102657272_200011215008 [1,1,0,0,0,0|1,0,1]=4 2756 B8R0.1 CCCOC(=O)CNC 7a_106832991635_200011215008 [1,1,0,0,0,0|1,0,1]=4 2757 B8R0.1 CCCOC(=O)COC 34a_100138415774_200011215008 [1,1,0,0,0,0|1,0,1]=4 2758 B8R0.1 CCCOC(=O)CSC 62a_200000210301_200011215008 [1,1,0,0,0,0|1,0,1]=4 2759 B8R0.1 CCCOC(=O)CSC 62a_200011215008_200000210301 [1,1,0,0,0,0|1,0,1]=4 2760 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200011215008_200025704644 [1,1,0,0,0,0|1,0,1]=4 2761 B8R0.1 CCCOC(=O)CS[13CH3] 62a_200025704644_200011215008 [1,1,0,0,0,0|1,0,1]=4 2762 B8R0.1 CCNC(=O)CCNC 2230a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 2763 B8R0.1 CCNC(=O)CCNC 34a_100025743525_200000210301 [1,1,0,0,0,0|1,0,1]=4 2764 B8R0.1 CCNC(=O)CCNC 7a_106832991635_100000737597 [1,1,0,0,0,0|1,0,1]=4 2765 B8R0.1 CCNC(=O)CCN[13CH3] 34a_100025743525_200025704644 [1,1,0,0,0,0|1,0,1]=4 2766 B8R0.1 CCNC(=O)CCOC 11a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2767 B8R0.1 CCNC(=O)CCOC 240690a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2768 B8R0.1 CCNC(=O)CCOC 527a_100015525214_100000749529 [1,1,0,0,0,0|1,0,1]=4 2769 B8R0.1 CCNC(=O)CCSC 11a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2770 B8R0.1 CCNC(=O)CCSC 240690a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2771 B8R0.1 CCNC(=O)CCSC 527a_100015525214_100000174002 [1,1,0,0,0,0|1,0,1]=4 2772 B8R0.1 CCNC(=O)CCSC 62a_100000737597_200000210301 [1,1,0,0,0,0|1,0,1]=4 2773 B8R0.1 CCNC(=O)CCSC 62a_200000210301_100000737597 [1,1,0,0,0,0|1,0,1]=4 2774 B8R0.1 CCNC(=O)CCS[13CH3] 62a_100000737597_200025704644 [1,1,0,0,0,0|1,0,1]=4 2775 B8R0.1 CCNC(=O)CCS[13CH3] 62a_200025704644_100000737597 [1,1,0,0,0,0|1,0,1]=4 2776 B8R0.1 CCNC(=O)COCC 11a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2777 B8R0.1 CCNC(=O)COCC 240690a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2778 B8R0.1 CCNC(=O)COCC 34a_100121572206_100000183381 [1,1,0,0,0,0|1,0,1]=4 2779 B8R0.1 CCNC(=O)COCC 527a_100015525214_100000211967 [1,1,0,0,0,0|1,0,1]=4 2780 B8R0.1 CCNC(=O)CSCC 11a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2781 B8R0.1 CCNC(=O)CSCC 240690a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2782 B8R0.1 CCNC(=O)CSCC 527a_100015525214_100000230394 [1,1,0,0,0,0|1,0,1]=4 2783 B8R0.1 CCNC(=O)CSCC 62a_100000183381_100000210202 [1,1,0,0,0,0|1,0,1]=4 2784 B8R0.1 CCNC(=O)CSCC 62a_100000210202_100000183381 [1,1,0,0,0,0|1,0,1]=4 2785 B8R0.1 CCNCC(=O)NCC 2230a_100015525214_100000183381 [1,1,0,0,0,0|1,0,1]=4 2786 B8R0.1 CCNCC(=O)NCC 2230a_100016988866_100000210202 [1,1,0,0,0,0|1,0,1]=4 2787 B8R0.1 CCNCC(=O)NCO 2230a_100015525214_100000185155 [1,1,0,0,0,0|2,0,0]=4 2788 B8R0.1 CCNCC(=O)OCC 2230a_100015525214_100000188475 [1,1,0,0,0,0|1,0,1]=4 2789 B8R0.1 CCOC(=O)CCNC 2230a_106832991635_100011206558 [1,1,0,0,0,0|1,0,1]=4 2790 B8R0.1 CCOC(=O)CCNC 34a_100102657272_100000765890 [1,1,0,0,0,0|1,0,1]=4 2791 B8R0.1 CCOC(=O)CCNC 7a_106832991635_100011206558 [1,1,0,0,0,0|1,0,1]=4 2792 B8R0.1 CCOC(=O)CCOC 34a_100138415774_100000765890 [1,1,0,0,0,0|1,0,1]=4 2793 B8R0.1 CCOC(=O)CCSC 62a_100000765890_200000210301 [1,1,0,0,0,0|1,0,1]=4 2794 B8R0.1 CCOC(=O)CCSC 62a_200000210301_100000765890 [1,1,0,0,0,0|1,0,1]=4 2795 B8R0.1 CCOC(=O)CCS[13CH3] 62a_100000765890_200025704644 [1,1,0,0,0,0|1,0,1]=4 2796 B8R0.1 CCOC(=O)CCS[13CH3] 62a_200025704644_100000765890 [1,1,0,0,0,0|1,0,1]=4 2797 B8R0.1 CCOC(=O)CSCC 62a_100000188475_100000210202 [1,1,0,0,0,0|1,0,1]=4 2798 B8R0.1 CCOC(=O)CSCC 62a_100000210202_100000188475 [1,1,0,0,0,0|1,0,1]=4 2799 B8R0.1 CCOCC(=O)CCF 1458a_100000211967_100011217306 [1,1,0,0,0,0|1,0,1]=4 2800 B8R0.1 CCOCC(=O)CCO 1458a_100000211967_100000211926 [1,1,0,0,0,0|1,0,1]=4 2801 B8R0.1 CCOCC(=O)NCO 34a_100121572206_100000185155 [1,1,0,0,0,0|2,0,0]=4 2802 B8R0.1 CCOCC(=O)NNC 22a_100016993582_100000211967 [1,1,0,0,0,0|2,0,0]=4 2803 B8R0.1 CCOCC(=O)OCC 34a_100121572206_100000188475 [1,1,0,0,0,0|1,0,1]=4 2804 B8R0.1 CCSCC(=O)CCF 1458a_100000230394_100011217306 [1,1,0,0,0,0|1,0,1]=4 2805 B8R0.1 CCSCC(=O)CCO 1458a_100000230394_100000211926 [1,1,0,0,0,0|1,0,1]=4 2806 B8R0.1 CCSCC(=O)NCO 62a_100000185155_100000210202 [1,1,0,0,0,0|2,0,0]=4 2807 B8R0.1 CCSCC(=O)NCO 62a_100000210202_100000185155 [1,1,0,0,0,0|2,0,0]=4 2808 B8R0.1 CCSCC(=O)NNC 22a_100016993582_100000230394 [1,1,0,0,0,0|2,0,0]=4 2809 B8R0.1 CNNC(=O)CCOC 22a_100016993582_100000749529 [1,1,0,0,0,0|2,0,0]=4 2810 B8R0.1 CNNC(=O)CCSC 22a_100016993582_100000174002 [1,1,0,0,0,0|2,0,0]=4 2811 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|1,0,1]=4 2812 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 2813 B8R0.1 COCC(=O)CCSC 1458a_100000210968_100000751147 [1,1,0,0,0,0|1,0,1]=4 2814 B8R0.1 COCCC(=O)C=CBr 1458a_100016273825_100000233755 [1,1,0,0,0,0|1,0,1]=4 2815 B8R0.1 COCCC(=O)C=CCl 1458a_200016279998_100000233755 [1,1,0,0,0,0|1,0,1]=4 2816 B8R0.1 COCCC(=O)C=CI 1458a_100016256311_100000233755 [1,1,0,0,0,0|1,0,1]=4 2817 B8R0.1 COCCC(=O)CCF 1458a_100000749529_100011217306 [1,1,0,0,0,0|1,0,1]=4 2818 B8R0.1 COCCC(=O)CCO 1458a_100000749529_100000211926 [1,1,0,0,0,0|1,0,1]=4 2819 B8R0.1 COCCC(=O)CCO 1458a_100011216618_100000233755 [1,1,0,0,0,0|1,0,1]=4 2820 B8R0.1 COCCC(=O)COC 1458a_100000210968_100000233755 [1,1,0,0,0,0|1,0,1]=4 2821 B8R0.1 COCCC(=O)CSC 1458a_100000184570_100000233755 [1,1,0,0,0,0|1,0,1]=4 2822 B8R0.1 CSCC(=O)CCCF 1458a_100000184570_100011934791 [1,1,0,0,0,0|1,0,1]=4 2823 B8R0.1 CSCC(=O)CCCO 1458a_100000184570_100011215043 [1,1,0,0,0,0|1,0,1]=4 2824 B8R0.1 CSCCC(=O)C=CBr 1458a_100016273825_100000751147 [1,1,0,0,0,0|1,0,1]=4 2825 B8R0.1 CSCCC(=O)C=CCl 1458a_200016279998_100000751147 [1,1,0,0,0,0|1,0,1]=4 2826 B8R0.1 CSCCC(=O)C=CI 1458a_100016256311_100000751147 [1,1,0,0,0,0|1,0,1]=4 2827 B8R0.1 CSCCC(=O)CCF 1458a_100000174002_100011217306 [1,1,0,0,0,0|1,0,1]=4 2828 B8R0.1 CSCCC(=O)CCO 1458a_100000174002_100000211926 [1,1,0,0,0,0|1,0,1]=4 2829 B8R0.1 CSCCC(=O)CCO 1458a_100011216618_100000751147 [1,1,0,0,0,0|1,0,1]=4 2830 B8R0.1 CSCCC(=O)CSC 1458a_100000184570_100000751147 [1,1,0,0,0,0|1,0,1]=4 2831 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [1,1,0,0,0,0|1,0,1]=4 2832 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [1,1,0,0,0,0|1,0,1]=4 2833 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [1,1,0,0,0,0|1,0,1]=4 2834 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [1,1,0,0,0,0|1,0,1]=4 2835 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [1,1,0,0,0,0|1,0,1]=4 2836 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [1,1,0,0,0,0|1,0,1]=4 2837 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 2838 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 2839 B8R0.3 C#CC(=O)C(C)CCC 1458a_100000211873_100000766640 [1,1,0,0,0,0|0,0,2]=4 2840 B8R0.3 C/C=C(\C)/C(=O)CCC 1458a_100020587367_100000210303 [1,1,0,0,0,0|1,0,1]=4 2841 B8R0.3 C/C=C(\C)/C(C)NCC 269862a_100015525214_100020675665 [1,1,0,0,0,0|2,0,0]=4 2842 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|0,0,1]=3 2843 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [1,1,0,0,0,0|1,0,1]=4 2844 B8R0.3 C=CC(=O)C(C)COC 1458a_100000185746_100000765312 [1,1,0,0,0,0|1,0,1]=4 2845 B8R0.3 C=CC(=O)N(C)CCC 1626a_100000747261_100000185746 [1,1,0,0,0,0|1,0,1]=4 2846 B8R0.3 C=CC(=O)N(C)CCC 240690a_100000747261_200121576911 [1,1,0,0,0,0|1,0,1]=4 2847 B8R0.3 CCC(=O)C(C)CCO 1458a_100000210414_100009893172 [1,1,0,0,0,0|1,0,1]=4 2848 B8R0.3 CCC(=O)C(C)COC 1458a_100000210414_100000765312 [1,1,0,0,0,0|1,0,1]=4 2849 B8R0.3 CCC(=O)C(C)COC 1458a_100000751857_100000210202 [1,1,0,0,0,0|1,0,1]=4 2850 B8R0.3 CCC(=O)C(C)CSC 1458a_100000753918_100000210202 [1,1,0,0,0,0|1,0,1]=4 2851 B8R0.3 CCCC(=O)C(=O)NC 1458a_100011218921_100000210303 [1,1,0,0,0,0|1,0,1]=4 2852 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210414_100000766640 [1,1,0,0,0,0|0,0,1]=3 2853 B8R0.3 CCCC(C)C(=O)CC 1458a_100000210906_100000210202 [1,1,0,0,0,0|0,0,1]=3 2854 B8R0.3 CCCC(C)C(=O)CF 1458a_100000210906_100015361967 [1,1,0,0,0,0|1,0,1]=4 2855 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|0,0,2]=4 2856 B8R0.3 CCCC(C)C(=O)NC 11a_106832991635_100000210906 [1,1,0,0,0,0|1,0,0]=3 2857 B8R0.3 CCCC(C)C(=O)NC 1626a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 2858 B8R0.3 CCCC(C)C(=O)NC 240690a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 2859 B8R0.3 CCCC(C)C(=O)NC 527a_100102657272_100000210906 [1,1,0,0,0,0|1,0,0]=3 2860 B8R0.3 CCCN(C)C(=O)CC 11a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 2861 B8R0.3 CCCN(C)C(=O)CC 1626a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 2862 B8R0.3 CCCN(C)C(=O)CC 240690a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 2863 B8R0.3 CCCN(C)C(=O)CC 527a_100000747261_100000210414 [1,1,0,0,0,0|1,0,1]=4 2864 B8R0.3 CCCN(C)C(=O)NC 2708a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2865 B8R0.3 CCCN(C)C(=O)NC 273464a_100102657272_100000747261 [1,1,0,0,0,0|2,0,0]=4 2866 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [1,1,0,0,0,0|0,0,1]=3 2867 B8R0.3 CCC[C@H](O)C(=O)CF 1458a_100009822183_100015361967 [1,1,0,0,0,0|1,0,1]=4 2868 B8R0.3 CCC[C@H](O)C(=O)NC 240690a_100102657272_100009822183 [1,1,0,0,0,0|1,0,0]=3 2869 B8R0.3 CCNC(C)C(=O)CC 2230a_100015525214_100000742827 [1,1,0,0,0,0|1,0,1]=4 2870 B8R0.3 CCNC(C)C(=O)NC 2230a_100015525214_100000731044 [1,1,0,0,0,0|2,0,0]=4 2871 B8R0.3 CCNC(C)C(=O)OC 2230a_100015525214_100000211248 [1,1,0,0,0,0|2,0,0]=4 2872 B8R0.3 CCNC(F)C(=O)NC 2230a_100015525214_100009813575 [1,1,0,0,0,0|2,0,0]=4 2873 B8R0.3 CCN[C@H](C)C(=O)NC 2230a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 2874 B8R0.3 CCN[C@H](C)C(=O)NC 34a_100000684985_100000210202 [1,1,0,0,0,0|2,0,0]=4 2875 B8R0.3 CCOC(C)C(=O)CC 1458a_100000739345_100000210202 [1,1,0,0,0,0|1,0,1]=4 2876 B8R0.3 CCOC(C)C(=O)NC 11a_106832991635_100000739345 [1,1,0,0,0,0|2,0,0]=4 2877 B8R0.3 CCOC(C)C(=O)NC 1626a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 2878 B8R0.3 CCOC(C)C(=O)NC 240690a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 2879 B8R0.3 CCOC(C)C(=O)NC 34a_100121572206_100000731044 [1,1,0,0,0,0|2,0,0]=4 2880 B8R0.3 CCOC(C)C(=O)NC 527a_100102657272_100000739345 [1,1,0,0,0,0|2,0,0]=4 2881 B8R0.3 CCOC(C)C(=O)OC 34a_100011215400_100000210202 [1,1,0,0,0,0|2,0,0]=4 2882 B8R0.3 CCOC(C)C(=O)OC 34a_100121572206_100000211248 [1,1,0,0,0,0|2,0,0]=4 2883 B8R0.3 CCOC(F)C(=O)NC 34a_100121572206_100009813575 [1,1,0,0,0,0|2,0,0]=4 2884 B8R0.3 CCSC(C)C(=O)CC 1458a_100000230601_100000210202 [1,1,0,0,0,0|1,0,1]=4 2885 B8R0.3 CCSC(C)C(=O)CC 62a_100000210202_100000742827 [1,1,0,0,0,0|1,0,1]=4 2886 B8R0.3 CCSC(C)C(=O)CC 62a_100000742827_100000210202 [1,1,0,0,0,0|1,0,1]=4 2887 B8R0.3 CCSC(C)C(=O)NC 11a_106832991635_100000230601 [1,1,0,0,0,0|2,0,0]=4 2888 B8R0.3 CCSC(C)C(=O)NC 1626a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 2889 B8R0.3 CCSC(C)C(=O)NC 240690a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 2890 B8R0.3 CCSC(C)C(=O)NC 527a_100102657272_100000230601 [1,1,0,0,0,0|2,0,0]=4 2891 B8R0.3 CCSC(C)C(=O)NC 62a_100000209862_100000210202 [1,1,0,0,0,0|2,0,0]=4 2892 B8R0.3 CCSC(C)C(=O)NC 62a_100000210202_100000731044 [1,1,0,0,0,0|2,0,0]=4 2893 B8R0.3 CCSC(C)C(=O)OC 62a_100000210202_100000211248 [1,1,0,0,0,0|2,0,0]=4 2894 B8R0.3 CCSC(C)C(=O)OC 62a_100000211248_100000210202 [1,1,0,0,0,0|2,0,0]=4 2895 B8R0.3 CCSC(F)C(=O)NC 62a_100000210202_100009813575 [1,1,0,0,0,0|2,0,0]=4 2896 B8R0.3 CCSC(F)C(=O)NC 62a_100009813575_100000210202 [1,1,0,0,0,0|2,0,0]=4 2897 B8R0.3 CNC(=O)C(C)CN[13CH3] 2230a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2898 B8R0.3 CNC(=O)C(C)CN[13CH3] 34a_100015187722_200025704644 [1,1,0,0,0,0|2,0,0]=4 2899 B8R0.3 CNC(=O)C(C)COC 11a_106832991635_100000751857 [1,1,0,0,0,0|2,0,0]=4 2900 B8R0.3 CNC(=O)C(C)COC 1626a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2901 B8R0.3 CNC(=O)C(C)COC 240690a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2902 B8R0.3 CNC(=O)C(C)COC 527a_100102657272_100000751857 [1,1,0,0,0,0|2,0,0]=4 2903 B8R0.3 CNC(=O)C(C)CSC 11a_106832991635_100000753918 [1,1,0,0,0,0|2,0,0]=4 2904 B8R0.3 CNC(=O)C(C)CSC 1626a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2905 B8R0.3 CNC(=O)C(C)CSC 240690a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2906 B8R0.3 CNC(=O)C(C)CSC 527a_100102657272_100000753918 [1,1,0,0,0,0|2,0,0]=4 2907 B8R0.3 CNCC(C)C(=O)NC 2230a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2908 B8R0.3 CNCC(C)C(=O)NC 34a_100015187722_200000210301 [1,1,0,0,0,0|2,0,0]=4 2909 B8R0.3 CNCC(C)C(=O)OC 34a_100102657272_100000698445 [1,1,0,0,0,0|2,0,0]=4 2910 B8R0.3 COC(=O)C(C)CO[13CH3] 34a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2911 B8R0.3 COC(=O)C(C)CO[13CH3] 7a_100000749362_200025704644 [1,1,0,0,0,0|2,0,0]=4 2912 B8R0.3 COC(=O)C(C)CSC 62a_100000698445_200000210301 [1,1,0,0,0,0|2,0,0]=4 2913 B8R0.3 COC(=O)C(C)CSC 62a_200000210301_100000698445 [1,1,0,0,0,0|2,0,0]=4 2914 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_100000698445_200025704644 [1,1,0,0,0,0|2,0,0]=4 2915 B8R0.3 COC(=O)C(C)CS[13CH3] 62a_200025704644_100000698445 [1,1,0,0,0,0|2,0,0]=4 2916 B8R0.3 COC(=O)C(F)CO[13CH3] 34a_200009849844_200025704644 [1,1,0,0,0,0|2,0,0]=4 2917 B8R0.3 COC(=O)[C@H](N)CO[13CH3] 34a_100000003586_200025704644 [1,1,0,0,0,0|2,0,0]=4 2918 B8R0.3 COCC(C)C(=O)OC 34a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 2919 B8R0.3 COCC(C)C(=O)OC 34a_100138415774_100000698445 [1,1,0,0,0,0|2,0,0]=4 2920 B8R0.3 COCC(C)C(=O)OC 7a_100000749362_200000210301 [1,1,0,0,0,0|2,0,0]=4 2921 B8R0.3 COCC(F)C(=O)OC 34a_200009849844_200000210301 [1,1,0,0,0,0|2,0,0]=4 2922 B8R0.3 COC[C@@H](N)C(=O)OC 34a_100000003586_200000210301 [1,1,0,0,0,0|2,0,0]=4 2923 B8R0.6 C#CC(=O)CCCCC 1458a_100000211873_100000210326 [1,1,0,0,0,0|0,0,2]=4 2924 B8R0.6 C#CC(=O)CCCCF 1458a_100000211873_100000729493 [1,1,0,0,0,0|0,0,2]=4 2925 B8R0.6 C#CC(=O)CCCCO 1458a_100000211873_100000210776 [1,1,0,0,0,0|0,0,2]=4 2926 B8R0.6 C#CC(=O)CCCOC 1458a_100000211873_100000740836 [1,1,0,0,0,0|0,0,2]=4 2927 B8R0.6 C#CC(=O)CCOCC 1458a_100000211873_100011215890 [1,1,0,0,0,0|0,0,2]=4 2928 B8R0.6 C#CC(=O)CCSCC 1458a_100000211873_100000757381 [1,1,0,0,0,0|0,0,2]=4 2929 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [1,1,0,0,0,0|0,0,2]=4 2930 B8R0.6 C#CCCCC(=O)CC 1458a_100000210414_100000731252 [1,1,0,0,0,0|0,0,2]=4 2931 B8R0.6 C#CCCCC(=O)CC 1458a_100000690238_100000210202 [1,1,0,0,0,0|0,0,2]=4 2932 B8R0.6 C#CCCCC(=O)NC 11a_106832991635_100000690238 [1,1,0,0,0,0|1,0,1]=4 2933 B8R0.6 C#CCCCC(=O)NC 1626a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 2934 B8R0.6 C#CCCCC(=O)NC 240690a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 2935 B8R0.6 C#CCCCC(=O)NC 527a_100102657272_100000690238 [1,1,0,0,0,0|1,0,1]=4 2936 B8R0.6 C=CC(=O)C/C=C\CC 1458a_100000185746_100103147603 [1,1,0,0,0,0|0,0,2]=4 2937 B8R0.6 C=CC(=O)CC#CCC 1458a_100000185746_100009813939 [1,1,0,0,0,0|0,0,2]=4 2938 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [1,1,0,0,0,0|0,0,2]=4 2939 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|0,0,1]=3 2940 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|0,0,1]=3 2941 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|0,0,1]=3 2942 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|0,0,1]=3 2943 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|0,0,1]=3 2944 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|0,0,1]=3 2945 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|0,0,1]=3 2946 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|0,0,1]=3 2947 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [1,1,0,0,0,0|1,0,1]=4 2948 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [1,1,0,0,0,0|1,0,1]=4 2949 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [1,1,0,0,0,0|1,0,1]=4 2950 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [1,1,0,0,0,0|1,0,1]=4 2951 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [1,1,0,0,0,0|1,0,1]=4 2952 B8R0.6 C=CC(=O)NCCOC 1626a_100000209980_100000185746 [1,1,0,0,0,0|1,0,1]=4 2953 B8R0.6 C=CC(=O)NCCOC 240690a_100000209980_200121576911 [1,1,0,0,0,0|1,0,1]=4 2954 B8R0.6 C=CC(=O)NCCOC 34a_100011304386_200000210301 [1,1,0,0,0,0|1,0,1]=4 2955 B8R0.6 C=CC(=O)NCCO[13CH3] 34a_100011304386_200025704644 [1,1,0,0,0,0|1,0,1]=4 2956 B8R0.6 C=CC(=O)NCCSC 1626a_100020590264_100000185746 [1,1,0,0,0,0|1,0,1]=4 2957 B8R0.6 C=CC(=O)NCCSC 240690a_100020590264_200121576911 [1,1,0,0,0,0|1,0,1]=4 2958 B8R0.6 C=CC(=O)NNCCC 22a_100000740057_100000185746 [1,1,0,0,0,0|1,0,1]=4 2959 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,1,0,0,0,0|1,0,1]=4 2960 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,1,0,0,0,0|1,0,1]=4 2961 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,1,0,0,0,0|1,0,1]=4 2962 B8R0.6 C=CC(=O)OCCOC 34a_100138415774_100009813456 [1,1,0,0,0,0|1,0,1]=4 2963 B8R0.6 C=CC(=O)OCCSC 62a_100009813456_200000210301 [1,1,0,0,0,0|1,0,1]=4 2964 B8R0.6 C=CC(=O)OCCSC 62a_200000210301_100009813456 [1,1,0,0,0,0|1,0,1]=4 2965 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_100009813456_200025704644 [1,1,0,0,0,0|1,0,1]=4 2966 B8R0.6 C=CC(=O)OCCS[13CH3] 62a_200025704644_100009813456 [1,1,0,0,0,0|1,0,1]=4 2967 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,1,0,0,0,0|0,0,2]=4 2968 B8R0.6 C=CCCCC(=O)CC 1458a_100000210414_100000757094 [1,1,0,0,0,0|0,0,2]=4 2969 B8R0.6 C=CCCCC(=O)CC 1458a_100000766728_100000210202 [1,1,0,0,0,0|0,0,2]=4 2970 B8R0.6 C=CCCCC(=O)NC 11a_106832991635_100000766728 [1,1,0,0,0,0|1,0,1]=4 2971 B8R0.6 C=CCCCC(=O)NC 1626a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2972 B8R0.6 C=CCCCC(=O)NC 240690a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2973 B8R0.6 C=CCCCC(=O)NC 527a_100102657272_100000766728 [1,1,0,0,0,0|1,0,1]=4 2974 B8R0.6 CC/C=C/CC(=O)CC 1458a_100016274230_100000210202 [1,1,0,0,0,0|0,0,2]=4 2975 B8R0.6 CC/C=C/CC(=O)NC 11a_106832991635_100016274230 [1,1,0,0,0,0|1,0,1]=4 2976 B8R0.6 CC/C=C/CC(=O)NC 1626a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2977 B8R0.6 CC/C=C/CC(=O)NC 240690a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2978 B8R0.6 CC/C=C/CC(=O)NC 527a_100102657272_100016274230 [1,1,0,0,0,0|1,0,1]=4 2979 B8R0.6 CC/C=C\CC(=O)CC 1458a_100000210414_100103147603 [1,1,0,0,0,0|0,0,2]=4 2980 B8R0.6 CCC#CCC(=O)CC 1458a_100000210414_100009813939 [1,1,0,0,0,0|0,0,2]=4 2981 B8R0.6 CCC(=O)CCCC#N 1458a_100000075515_100000210202 [1,1,0,0,0,0|0,0,2]=4 2982 B8R0.6 CCC(=O)CCCC#N 1458a_100000210414_100000211468 [1,1,0,0,0,0|0,0,2]=4 2983 B8R0.6 CCC(=O)CCCCF 1458a_100000210414_100000729493 [1,1,0,0,0,0|0,0,1]=3 2984 B8R0.6 CCC(=O)CCCCO 1458a_100000210414_100000210776 [1,1,0,0,0,0|0,0,1]=3 2985 B8R0.6 CCC(=O)CCCCO 1458a_100000695505_100000210202 [1,1,0,0,0,0|0,0,1]=3 2986 B8R0.6 CCC(=O)CCCOC 1458a_100000210414_100000740836 [1,1,0,0,0,0|0,0,1]=3 2987 B8R0.6 CCC(=O)CCCOC 1458a_100000741012_100000210202 [1,1,0,0,0,0|0,0,1]=3 2988 B8R0.6 CCC(=O)CCCSC 1458a_100000173376_100000210202 [1,1,0,0,0,0|0,0,1]=3 2989 B8R0.6 CCC(=O)COCCF 34a_100000725409_100011217306 [1,1,0,0,0,0|1,0,1]=4 2990 B8R0.6 CCC(=O)COCCO 1458a_100000708028_100000210202 [1,1,0,0,0,0|1,0,1]=4 2991 B8R0.6 CCC(=O)COCCO 34a_100000725409_100000211926 [1,1,0,0,0,0|1,0,1]=4 2992 B8R0.6 CCC(=O)COCSC 34a_100000725409_100011218213 [1,1,0,0,0,0|1,0,1]=4 2993 B8R0.6 CCC(=O)CSCCF 62a_100000747405_100011217306 [1,1,0,0,0,0|1,0,1]=4 2994 B8R0.6 CCC(=O)CSCCF 62a_100011217306_100000747405 [1,1,0,0,0,0|1,0,1]=4 2995 B8R0.6 CCC(=O)CSCCO 62a_100000211926_100000747405 [1,1,0,0,0,0|1,0,1]=4 2996 B8R0.6 CCC(=O)CSCCO 62a_100000747405_100000211926 [1,1,0,0,0,0|1,0,1]=4 2997 B8R0.6 CCC(=O)CSCOC 62a_100000747405_100000766300 [1,1,0,0,0,0|1,0,1]=4 2998 B8R0.6 CCC(=O)CSCOC 62a_100000766300_100000747405 [1,1,0,0,0,0|1,0,1]=4 2999 B8R0.6 CCC(=O)CSCSC 62a_100000747405_100011218213 [1,1,0,0,0,0|1,0,1]=4 3000 B8R0.6 CCC(=O)CSCSC 62a_100011218213_100000747405 [1,1,0,0,0,0|1,0,1]=4 3001 B8R0.6 CCC(=O)NCCCF 11a_100015189416_100000210414 [1,1,0,0,0,0|1,0,1]=4 3002 B8R0.6 CCC(=O)NCCCF 1626a_100015189416_100000210414 [1,1,0,0,0,0|1,0,1]=4 3003 B8R0.6 CCC(=O)NCCCF 240690a_100015189416_100000210414 [1,1,0,0,0,0|1,0,1]=4 3004 B8R0.6 CCC(=O)NCCCF 527a_100015189416_100000210414 [1,1,0,0,0,0|1,0,1]=4 3005 B8R0.6 CCC(=O)NCCCO 240690a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 3006 B8R0.6 CCC(=O)NCCCO 527a_100000182051_100000210414 [1,1,0,0,0,0|1,0,1]=4 3007 B8R0.6 CCC(=O)NCCNC 34a_100132302217_200000210301 [1,1,0,0,0,0|1,0,1]=4 3008 B8R0.6 CCC(=O)NCCN[13CH3] 34a_100132302217_200025704644 [1,1,0,0,0,0|1,0,1]=4 3009 B8R0.6 CCC(=O)NCCOC 1626a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3010 B8R0.6 CCC(=O)NCCOC 240690a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3011 B8R0.6 CCC(=O)NCCOC 34a_200000158885_200000210301 [1,1,0,0,0,0|1,0,1]=4 3012 B8R0.6 CCC(=O)NCCOC 527a_100000209980_100000210414 [1,1,0,0,0,0|1,0,1]=4 3013 B8R0.6 CCC(=O)NCCOC 7a_200000158885_200000210301 [1,1,0,0,0,0|1,0,1]=4 3014 B8R0.6 CCC(=O)NCCO[13CH3] 34a_200000158885_200025704644 [1,1,0,0,0,0|1,0,1]=4 3015 B8R0.6 CCC(=O)NCCO[13CH3] 7a_200000158885_200025704644 [1,1,0,0,0,0|1,0,1]=4 3016 B8R0.6 CCC(=O)NCCSC 11a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 3017 B8R0.6 CCC(=O)NCCSC 1626a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 3018 B8R0.6 CCC(=O)NCCSC 240690a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 3019 B8R0.6 CCC(=O)NCCSC 527a_100020590264_100000210414 [1,1,0,0,0,0|1,0,1]=4 3020 B8R0.6 CCC(=O)OCCOC 7a_200000031056_200000210301 [1,1,0,0,0,0|1,0,1]=4 3021 B8R0.6 CCC(=O)OCCO[13CH3] 7a_200000031056_200025704644 [1,1,0,0,0,0|1,0,1]=4 3022 B8R0.6 CCCC#CC(=O)CC 1458a_200011218047_100000210202 [1,1,0,0,0,0|0,0,2]=4 3023 B8R0.6 CCCC#CC(=O)NC 240690a_100102657272_200011218047 [1,1,0,0,0,0|1,0,1]=4 3024 B8R0.6 CCCC=CC(=O)CC 1458a_100000212230_100000210202 [1,1,0,0,0,0|0,0,2]=4 3025 B8R0.6 CCCC=CC(=O)NC 11a_106832991635_100000212230 [1,1,0,0,0,0|1,0,1]=4 3026 B8R0.6 CCCC=CC(=O)NC 1626a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 3027 B8R0.6 CCCC=CC(=O)NC 240690a_100102657272_100000212230 [1,1,0,0,0,0|1,0,1]=4 3028 B8R0.6 CCCCCC(=O)CC 1458a_100000210414_100000210326 [1,1,0,0,0,0|0,0,1]=3 3029 B8R0.6 CCCCCC(=O)CC 1458a_100000212188_100000210202 [1,1,0,0,0,0|0,0,1]=3 3030 B8R0.6 CCCCCC(=O)CF 1458a_100000212188_100015361967 [1,1,0,0,0,0|1,0,1]=4 3031 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|0,0,2]=4 3032 B8R0.6 CCCCCC(=O)NC 11a_106832991635_100000212188 [1,1,0,0,0,0|1,0,0]=3 3033 B8R0.6 CCCCCC(=O)NC 1626a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3034 B8R0.6 CCCCCC(=O)NC 240690a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3035 B8R0.6 CCCCCC(=O)NC 527a_100102657272_100000212188 [1,1,0,0,0,0|1,0,0]=3 3036 B8R0.6 CCCCNC(=O)CC 11a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 3037 B8R0.6 CCCCNC(=O)CC 1626a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 3038 B8R0.6 CCCCNC(=O)CC 240690a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 3039 B8R0.6 CCCCNC(=O)CC 527a_100000102301_100000210414 [1,1,0,0,0,0|0,0,1]=3 3040 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|0,0,2]=4 3041 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|0,0,2]=4 3042 B8R0.6 CCCCNC(=O)NC 2708a_100000102301_106832991635 [1,1,0,0,0,0|1,0,0]=3 3043 B8R0.6 CCCCNC(=O)NC 2708a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 3044 B8R0.6 CCCCNC(=O)NC 273464a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 3045 B8R0.6 CCCCNC(=O)NC 273464a_100102657272_100000102301 [1,1,0,0,0,0|1,0,0]=3 3046 B8R0.6 CCCCNC(=O)NC 512a_100000102301_100102657272 [1,1,0,0,0,0|1,0,0]=3 3047 B8R0.6 CCCCNC(=O)NC 512a_106832991638_100000102301 [1,1,0,0,0,0|1,0,0]=3 3048 B8R0.6 CCCNCC(=O)NC 2230a_100000693194_100000210303 [1,1,0,0,0,0|1,0,0]=3 3049 B8R0.6 CCCNNC(=O)CC 22a_100000740057_100000210414 [1,1,0,0,0,0|1,0,1]=4 3050 B8R0.6 CCCNNC(=O)NC 273464a_100102657272_100000740057 [1,1,0,0,0,0|2,0,0]=4 3051 B8R0.6 CCCNNC(=O)NC 512a_100000740057_100102657272 [1,1,0,0,0,0|2,0,0]=4 3052 B8R0.6 CCCNNC(=O)NC 512a_106832991638_100000740057 [1,1,0,0,0,0|2,0,0]=4 3053 B8R0.6 CCCOCC(=O)CC 1458a_100000745993_100000210202 [1,1,0,0,0,0|0,0,1]=3 3054 B8R0.6 CCCOCC(=O)CC 34a_100000725409_100000210303 [1,1,0,0,0,0|0,0,1]=3 3055 B8R0.6 CCCOCC(=O)CF 1458a_100000745993_100015361967 [1,1,0,0,0,0|1,0,1]=4 3056 B8R0.6 CCCOCC(=O)NC 11a_106832991635_100000745993 [1,1,0,0,0,0|1,0,0]=3 3057 B8R0.6 CCCOCC(=O)NC 1626a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 3058 B8R0.6 CCCOCC(=O)NC 240690a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 3059 B8R0.6 CCCOCC(=O)NC 34a_100000210258_100000183359 [1,1,0,0,0,0|1,0,0]=3 3060 B8R0.6 CCCOCC(=O)NC 34a_100000750040_100000210303 [1,1,0,0,0,0|1,0,0]=3 3061 B8R0.6 CCCOCC(=O)NC 527a_100102657272_100000745993 [1,1,0,0,0,0|1,0,0]=3 3062 B8R0.6 CCCOCC(=O)OC 34a_100000210258_100000747449 [1,1,0,0,0,0|1,0,0]=3 3063 B8R0.6 CCCSCC(=O)CC 1458a_100000217233_100000210202 [1,1,0,0,0,0|0,0,1]=3 3064 B8R0.6 CCCSCC(=O)CC 62a_100000210303_100000747405 [1,1,0,0,0,0|0,0,1]=3 3065 B8R0.6 CCCSCC(=O)CC 62a_100000747405_100000210303 [1,1,0,0,0,0|0,0,1]=3 3066 B8R0.6 CCCSCC(=O)CF 1458a_100000217233_100015361967 [1,1,0,0,0,0|1,0,1]=4 3067 B8R0.6 CCCSCC(=O)NC 11a_106832991635_100000217233 [1,1,0,0,0,0|1,0,0]=3 3068 B8R0.6 CCCSCC(=O)NC 1626a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 3069 B8R0.6 CCCSCC(=O)NC 240690a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 3070 B8R0.6 CCCSCC(=O)NC 527a_100102657272_100000217233 [1,1,0,0,0,0|1,0,0]=3 3071 B8R0.6 CCCSCC(=O)NC 62a_100000183359_100000210303 [1,1,0,0,0,0|1,0,0]=3 3072 B8R0.6 CCCSCC(=O)NC 62a_100000210303_100000183359 [1,1,0,0,0,0|1,0,0]=3 3073 B8R0.6 CCCSCC(=O)OC 62a_100000210303_100000747449 [1,1,0,0,0,0|1,0,0]=3 3074 B8R0.6 CCCSCC(=O)OC 62a_100000747449_100000210303 [1,1,0,0,0,0|1,0,0]=3 3075 B8R0.6 CCNCCC(=O)NC 2230a_100000738227_100000210202 [1,1,0,0,0,0|1,0,0]=3 3076 B8R0.6 CCNCCC(=O)NC 2230a_100015525214_100000737683 [1,1,0,0,0,0|1,0,0]=3 3077 B8R0.6 CCNCCC(=O)NC 34a_100000738227_100000210202 [1,1,0,0,0,0|1,0,0]=3 3078 B8R0.6 CCNCCC(=O)OC 2230a_100015525214_100000204255 [1,1,0,0,0,0|1,0,0]=3 3079 B8R0.6 CCOCCC(=O)CC 1458a_100000210414_100011215890 [1,1,0,0,0,0|0,0,1]=3 3080 B8R0.6 CCOCCC(=O)CC 1458a_100000749530_100000210202 [1,1,0,0,0,0|0,0,1]=3 3081 B8R0.6 CCOCCC(=O)CF 1458a_100000749530_100015361967 [1,1,0,0,0,0|1,0,1]=4 3082 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|0,0,2]=4 3083 B8R0.6 CCOCCC(=O)NC 11a_106832991635_100000749530 [1,1,0,0,0,0|1,0,0]=3 3084 B8R0.6 CCOCCC(=O)NC 1626a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 3085 B8R0.6 CCOCCC(=O)NC 240690a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 3086 B8R0.6 CCOCCC(=O)NC 34a_100000754576_100000210202 [1,1,0,0,0,0|1,0,0]=3 3087 B8R0.6 CCOCCC(=O)NC 34a_100121572206_100012179268 [1,1,0,0,0,0|1,0,0]=3 3088 B8R0.6 CCOCCC(=O)NC 527a_100102657272_100000749530 [1,1,0,0,0,0|1,0,0]=3 3089 B8R0.6 CCOCCC(=O)OC 34a_100121572206_100000742370 [1,1,0,0,0,0|1,0,0]=3 3090 B8R0.6 CCSCCC(=O)CC 1458a_100000210414_100000757381 [1,1,0,0,0,0|0,0,1]=3 3091 B8R0.6 CCSCCC(=O)CC 1458a_100000230768_100000210202 [1,1,0,0,0,0|0,0,1]=3 3092 B8R0.6 CCSCCC(=O)CF 1458a_100000230768_100015361967 [1,1,0,0,0,0|1,0,1]=4 3093 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|0,0,2]=4 3094 B8R0.6 CCSCCC(=O)NC 11a_106832991635_100000230768 [1,1,0,0,0,0|1,0,0]=3 3095 B8R0.6 CCSCCC(=O)NC 1626a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 3096 B8R0.6 CCSCCC(=O)NC 240690a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 3097 B8R0.6 CCSCCC(=O)NC 527a_100102657272_100000230768 [1,1,0,0,0,0|1,0,0]=3 3098 B8R0.6 CCSCCC(=O)NC 62a_100000210202_100000737683 [1,1,0,0,0,0|1,0,0]=3 3099 B8R0.6 CCSCCC(=O)NC 62a_100000737683_100000210202 [1,1,0,0,0,0|1,0,0]=3 3100 B8R0.6 CCSCCC(=O)OC 62a_100000204255_100000210202 [1,1,0,0,0,0|1,0,0]=3 3101 B8R0.6 CCSCCC(=O)OC 62a_100000210202_100000204255 [1,1,0,0,0,0|1,0,0]=3 3102 B8R0.6 CCSCOC(=O)OC 62a_100000210202_100000139417 [1,1,0,0,0,0|2,0,0]=4 3103 B8R0.6 CNC(=O)CCCC#N 11a_106832991635_100000075515 [1,1,0,0,0,0|1,0,1]=4 3104 B8R0.6 CNC(=O)CCCC#N 1626a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 3105 B8R0.6 CNC(=O)CCCC#N 240690a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 3106 B8R0.6 CNC(=O)CCCC#N 527a_100102657272_100000075515 [1,1,0,0,0,0|1,0,1]=4 3107 B8R0.6 CNC(=O)CCCCO 1626a_100102657272_100000695505 [1,1,0,0,0,0|1,0,0]=3 3108 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|1,0,0]=3 3109 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|1,0,0]=3 3110 B8R0.6 CNC(=O)CCCOC 11a_106832991635_100000741012 [1,1,0,0,0,0|1,0,0]=3 3111 B8R0.6 CNC(=O)CCCOC 1626a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 3112 B8R0.6 CNC(=O)CCCOC 240690a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 3113 B8R0.6 CNC(=O)CCCOC 34a_100138415774_100000741757 [1,1,0,0,0,0|1,0,0]=3 3114 B8R0.6 CNC(=O)CCCOC 527a_100102657272_100000741012 [1,1,0,0,0,0|1,0,0]=3 3115 B8R0.6 CNC(=O)CCCSC 11a_106832991635_100000173376 [1,1,0,0,0,0|1,0,0]=3 3116 B8R0.6 CNC(=O)CCCSC 1626a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 3117 B8R0.6 CNC(=O)CCCSC 240690a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 3118 B8R0.6 CNC(=O)CCCSC 527a_100102657272_100000173376 [1,1,0,0,0,0|1,0,0]=3 3119 B8R0.6 CNC(=O)CCCSC 62a_100000741757_200000210301 [1,1,0,0,0,0|1,0,0]=3 3120 B8R0.6 CNC(=O)CCCSC 62a_200000210301_100000741757 [1,1,0,0,0,0|1,0,0]=3 3121 B8R0.6 CNC(=O)CCCS[13CH3] 62a_100000741757_200025704644 [1,1,0,0,0,0|1,0,0]=3 3122 B8R0.6 CNC(=O)CCCS[13CH3] 62a_200025704644_100000741757 [1,1,0,0,0,0|1,0,0]=3 3123 B8R0.6 CNC(=O)CCNCF 34a_100000738227_100015361967 [1,1,0,0,0,0|2,0,0]=4 3124 B8R0.6 CNC(=O)CCOCF 34a_100000754576_100015361967 [1,1,0,0,0,0|2,0,0]=4 3125 B8R0.6 CNC(=O)CCSCF 62a_100000737683_100015361967 [1,1,0,0,0,0|2,0,0]=4 3126 B8R0.6 CNC(=O)CCSCF 62a_100015361967_100000737683 [1,1,0,0,0,0|2,0,0]=4 3127 B8R0.6 CNC(=O)CNCCF 2230a_100000693194_100011217306 [1,1,0,0,0,0|2,0,0]=4 3128 B8R0.6 CNC(=O)CNCCF 34a_100000724931_100000183359 [1,1,0,0,0,0|2,0,0]=4 3129 B8R0.6 CNC(=O)CNCCO 2230a_100000693194_100000211926 [1,1,0,0,0,0|2,0,0]=4 3130 B8R0.6 CNC(=O)CNCCO 2230a_100016997473_100000183359 [1,1,0,0,0,0|2,0,0]=4 3131 B8R0.6 CNC(=O)CNCCO 34a_100016990907_100000183359 [1,1,0,0,0,0|2,0,0]=4 3132 B8R0.6 CNC(=O)CNCOC 2230a_100000693194_100000766300 [1,1,0,0,0,0|2,0,0]=4 3133 B8R0.6 CNC(=O)CNCSC 2230a_100000693194_100011218213 [1,1,0,0,0,0|2,0,0]=4 3134 B8R0.6 CNC(=O)COCCBr 34a_100000211926_100000183359 [1,1,0,0,0,0|2,0,0]=4 3135 B8R0.6 CNC(=O)COCCF 34a_100000750040_100011217306 [1,1,0,0,0,0|2,0,0]=4 3136 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [1,1,0,0,0,0|2,0,0]=4 3137 B8R0.6 CNC(=O)COCCO 1626a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 3138 B8R0.6 CNC(=O)COCCO 240690a_100102657272_100000708028 [1,1,0,0,0,0|2,0,0]=4 3139 B8R0.6 CNC(=O)COCCO 34a_100000750040_100000211926 [1,1,0,0,0,0|2,0,0]=4 3140 B8R0.6 CNC(=O)COCSC 34a_100000750040_100011218213 [1,1,0,0,0,0|2,0,0]=4 3141 B8R0.6 CNC(=O)CSCCF 62a_100000183359_100011217306 [1,1,0,0,0,0|2,0,0]=4 3142 B8R0.6 CNC(=O)CSCCF 62a_100011217306_100000183359 [1,1,0,0,0,0|2,0,0]=4 3143 B8R0.6 CNC(=O)CSCCO 62a_100000183359_100000211926 [1,1,0,0,0,0|2,0,0]=4 3144 B8R0.6 CNC(=O)CSCCO 62a_100000211926_100000183359 [1,1,0,0,0,0|2,0,0]=4 3145 B8R0.6 CNC(=O)CSCOC 62a_100000183359_100000766300 [1,1,0,0,0,0|2,0,0]=4 3146 B8R0.6 CNC(=O)CSCOC 62a_100000766300_100000183359 [1,1,0,0,0,0|2,0,0]=4 3147 B8R0.6 CNC(=O)CSCSC 62a_100000183359_100011218213 [1,1,0,0,0,0|2,0,0]=4 3148 B8R0.6 CNC(=O)CSCSC 62a_100011218213_100000183359 [1,1,0,0,0,0|2,0,0]=4 3149 B8R0.6 CNC(=O)NCCCF 2708a_100015189416_106832991635 [1,1,0,0,0,0|2,0,0]=4 3150 B8R0.6 CNC(=O)NCCCF 2708a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 3151 B8R0.6 CNC(=O)NCCCF 273464a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 3152 B8R0.6 CNC(=O)NCCCF 273464a_100102657272_100015189416 [1,1,0,0,0,0|2,0,0]=4 3153 B8R0.6 CNC(=O)NCCCF 512a_100015189416_100102657272 [1,1,0,0,0,0|2,0,0]=4 3154 B8R0.6 CNC(=O)NCCCF 512a_106832991638_100015189416 [1,1,0,0,0,0|2,0,0]=4 3155 B8R0.6 CNC(=O)NCCCO 2708a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 3156 B8R0.6 CNC(=O)NCCCO 273464a_100000182051_100102657272 [1,1,0,0,0,0|2,0,0]=4 3157 B8R0.6 CNC(=O)NCCCO 273464a_100102657272_100000182051 [1,1,0,0,0,0|2,0,0]=4 3158 B8R0.6 CNC(=O)NCCCO 512a_106832991638_100000182051 [1,1,0,0,0,0|2,0,0]=4 3159 B8R0.6 CNC(=O)NCCN[13CH3] 34a_100015205895_200025704644 [1,1,0,0,0,0|2,0,0]=4 3160 B8R0.6 CNC(=O)NCCOC 2708a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 3161 B8R0.6 CNC(=O)NCCOC 273464a_100000209980_100102657272 [1,1,0,0,0,0|2,0,0]=4 3162 B8R0.6 CNC(=O)NCCOC 273464a_100102657272_100000209980 [1,1,0,0,0,0|2,0,0]=4 3163 B8R0.6 CNC(=O)NCCSC 2708a_100020590264_106832991635 [1,1,0,0,0,0|2,0,0]=4 3164 B8R0.6 CNC(=O)NCCSC 2708a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 3165 B8R0.6 CNC(=O)NCCSC 273464a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 3166 B8R0.6 CNC(=O)NCCSC 273464a_100102657272_100020590264 [1,1,0,0,0,0|2,0,0]=4 3167 B8R0.6 CNC(=O)NCCSC 512a_100020590264_100102657272 [1,1,0,0,0,0|2,0,0]=4 3168 B8R0.6 CNC(=O)NCCSC 512a_106832991638_100020590264 [1,1,0,0,0,0|2,0,0]=4 3169 B8R0.6 CNC(=O)OCCOC 34a_100138415774_200011997002 [1,1,0,0,0,0|2,0,0]=4 3170 B8R0.6 CNC(=O)OCCSC 62a_200000210301_200011997002 [1,1,0,0,0,0|2,0,0]=4 3171 B8R0.6 CNC(=O)OCCSC 62a_200011997002_200000210301 [1,1,0,0,0,0|2,0,0]=4 3172 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200011997002_200025704644 [1,1,0,0,0,0|2,0,0]=4 3173 B8R0.6 CNC(=O)OCCS[13CH3] 62a_200025704644_200011997002 [1,1,0,0,0,0|2,0,0]=4 3174 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|1,0,0]=3 3175 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|1,0,0]=3 3176 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|1,0,0]=3 3177 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|1,0,0]=3 3178 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|1,0,0]=3 3179 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 3180 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|1,0,0]=3 3181 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|1,0,0]=3 3182 B8R0.6 CNCCNC(=O)NC 34a_100015205895_200000210301 [1,1,0,0,0,0|2,0,0]=4 3183 B8R0.6 CNCCOC(=O)NC 34a_100102657272_200011997002 [1,1,0,0,0,0|2,0,0]=4 3184 B8R0.6 CNCCOC(=O)NC 7a_106832991635_200011997002 [1,1,0,0,0,0|2,0,0]=4 3185 B8R0.6 COC(=O)CCCSC 62a_100011218270_200000210301 [1,1,0,0,0,0|1,0,0]=3 3186 B8R0.6 COC(=O)CCCSC 62a_200000210301_100011218270 [1,1,0,0,0,0|1,0,0]=3 3187 B8R0.6 COC(=O)CCCS[13CH3] 62a_100011218270_200025704644 [1,1,0,0,0,0|1,0,0]=3 3188 B8R0.6 COC(=O)CCCS[13CH3] 62a_200025704644_100011218270 [1,1,0,0,0,0|1,0,0]=3 3189 B8R0.6 COC(=O)CCSCF 62a_100000204255_100015361967 [1,1,0,0,0,0|2,0,0]=4 3190 B8R0.6 COC(=O)CCSCF 62a_100015361967_100000204255 [1,1,0,0,0,0|2,0,0]=4 3191 B8R0.6 COC(=O)CNCCF 34a_100000724931_100000747449 [1,1,0,0,0,0|2,0,0]=4 3192 B8R0.6 COC(=O)CNCCO 2230a_100016997473_100000747449 [1,1,0,0,0,0|2,0,0]=4 3193 B8R0.6 COC(=O)CNCCO 34a_100016990907_100000747449 [1,1,0,0,0,0|2,0,0]=4 3194 B8R0.6 COC(=O)COCCBr 34a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 3195 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|2,0,0]=4 3196 B8R0.6 COC(=O)CSCCF 62a_100000747449_100011217306 [1,1,0,0,0,0|2,0,0]=4 3197 B8R0.6 COC(=O)CSCCF 62a_100011217306_100000747449 [1,1,0,0,0,0|2,0,0]=4 3198 B8R0.6 COC(=O)CSCCO 62a_100000211926_100000747449 [1,1,0,0,0,0|2,0,0]=4 3199 B8R0.6 COC(=O)CSCCO 62a_100000747449_100000211926 [1,1,0,0,0,0|2,0,0]=4 3200 B8R0.6 COC(=O)CSCSC 62a_100000747449_100011218213 [1,1,0,0,0,0|2,0,0]=4 3201 B8R0.6 COC(=O)CSCSC 62a_100011218213_100000747449 [1,1,0,0,0,0|2,0,0]=4 3202 B8R0.6 COC(=O)NCCO[13CH3] 34a_100000757965_200025704644 [1,1,0,0,0,0|2,0,0]=4 3203 B8R0.6 COC(=O)OCCO[13CH3] 34a_100010262106_200025704644 [1,1,0,0,0,0|2,0,0]=4 3204 B8R0.6 COCCCC(=O)CF 1458a_100000741012_100015361967 [1,1,0,0,0,0|1,0,1]=4 3205 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|0,0,2]=4 3206 B8R0.6 COCCCC(=O)NN 34a_100000211488_200000210301 [1,1,0,0,0,0|2,0,0]=4 3207 B8R0.6 COCCCC(=O)OC 34a_100138415774_100000742333 [1,1,0,0,0,0|1,0,0]=3 3208 B8R0.6 COCCNC(=O)OC 34a_100000757965_200000210301 [1,1,0,0,0,0|2,0,0]=4 3209 B8R0.6 COCCOC(=O)OC 34a_100010262106_200000210301 [1,1,0,0,0,0|2,0,0]=4 3210 B8R0.6 COCSCC(=O)OC 62a_100000747449_100000766300 [1,1,0,0,0,0|2,0,0]=4 3211 B8R0.6 COCSCC(=O)OC 62a_100000766300_100000747449 [1,1,0,0,0,0|2,0,0]=4 3212 B8R0.6 CSCCCC(=O)CF 1458a_100000173376_100015361967 [1,1,0,0,0,0|1,0,1]=4 3213 B8R0.6 O=C(CF)CCCCO 1458a_100000695505_100015361967 [1,1,0,0,0,0|1,0,1]=4 3214 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|0,0,2]=4 3215 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|0,0,2]=4 3216 B8R0.6 [13CH3]OCCCC(=O)NN 34a_100000211488_200025704644 [1,1,0,0,0,0|2,0,0]=4 3217 B8R0.9 C#CC(=O)CCC(C)C 1458a_100000211873_100000210312 [1,1,0,0,0,0|0,0,2]=4 3218 B8R0.9 C#CC(=O)CCC(C)O 1458a_100000211873_100012276601 [1,1,0,0,0,0|0,0,2]=4 3219 B8R0.9 C=C(C)CCC(=O)CC 1458a_100000210414_100000730704 [1,1,0,0,0,0|0,0,2]=4 3220 B8R0.9 C=C(C)CCC(=O)CC 1458a_200000688413_100000210202 [1,1,0,0,0,0|0,0,2]=4 3221 B8R0.9 C=C(C)CCC(=O)NC 11a_106832991635_200000688413 [1,1,0,0,0,0|1,0,1]=4 3222 B8R0.9 C=C(C)CCC(=O)NC 1626a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3223 B8R0.9 C=C(C)CCC(=O)NC 240690a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3224 B8R0.9 C=C(C)CCC(=O)NC 527a_100102657272_200000688413 [1,1,0,0,0,0|1,0,1]=4 3225 B8R0.9 C=CC(=O)CCC(=C)C 1458a_100000185746_100000730704 [1,1,0,0,0,0|0,0,2]=4 3226 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|0,0,1]=3 3227 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|0,0,1]=3 3228 B8R0.9 C=CC(=O)NCC(C)C 1626a_100000210953_100000185746 [1,1,0,0,0,0|1,0,1]=4 3229 B8R0.9 C=CC(=O)NCC(C)C 240690a_100000210953_200121576911 [1,1,0,0,0,0|1,0,1]=4 3230 B8R0.9 C=CC(=O)NCC(C)O 240690a_100000210904_200121576911 [1,1,0,0,0,0|1,0,1]=4 3231 B8R0.9 CC(C)CCC(=O)CF 1458a_100000181311_100015361967 [1,1,0,0,0,0|1,0,1]=4 3232 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|0,0,2]=4 3233 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|0,0,2]=4 3234 B8R0.9 CCC(=O)CCC(C)C 1458a_100000181311_100000210202 [1,1,0,0,0,0|0,0,1]=3 3235 B8R0.9 CCC(=O)CCC(C)C 1458a_100000210414_100000210312 [1,1,0,0,0,0|0,0,1]=3 3236 B8R0.9 CCC(=O)CCC(C)O 1458a_100000210414_100012276601 [1,1,0,0,0,0|0,0,1]=3 3237 B8R0.9 CCC(=O)CC[S+](C)C 1458a_100009452791_100000210202 [1,1,0,0,0,0|1,0,1]=4 3238 B8R0.9 CCC(=O)COC(C)C 1458a_100000745533_100000210202 [1,1,0,0,0,0|1,0,1]=4 3239 B8R0.9 CCC(=O)COC(C)C 34a_100000725409_100000210206 [1,1,0,0,0,0|1,0,1]=4 3240 B8R0.9 CCC(=O)CSC(C)C 1458a_100000241585_100000210202 [1,1,0,0,0,0|1,0,1]=4 3241 B8R0.9 CCC(=O)CSC(C)C 62a_100000210206_100000747405 [1,1,0,0,0,0|1,0,1]=4 3242 B8R0.9 CCC(=O)CSC(C)C 62a_100000747405_100000210206 [1,1,0,0,0,0|1,0,1]=4 3243 B8R0.9 CCC(=O)NCC(C)C 11a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3244 B8R0.9 CCC(=O)NCC(C)C 1626a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3245 B8R0.9 CCC(=O)NCC(C)C 240690a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3246 B8R0.9 CCC(=O)NCC(C)C 527a_100000210953_100000210414 [1,1,0,0,0,0|1,0,1]=4 3247 B8R0.9 CCC(=O)NCC(C)O 11a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3248 B8R0.9 CCC(=O)NCC(C)O 240690a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3249 B8R0.9 CCC(=O)NCC(C)O 527a_100000210904_100000210414 [1,1,0,0,0,0|1,0,1]=4 3250 B8R0.9 CNC(=O)CCC(=O)C 1458a_100011309844_200000210301 [1,1,0,0,0,0|1,0,1]=4 3251 B8R0.9 CNC(=O)CCC(=O)[13CH3] 1458a_100011309844_200025704644 [1,1,0,0,0,0|1,0,1]=4 3252 B8R0.9 CNC(=O)CCC(C)C 11a_106832991635_100000181311 [1,1,0,0,0,0|1,0,0]=3 3253 B8R0.9 CNC(=O)CCC(C)C 1626a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3254 B8R0.9 CNC(=O)CCC(C)C 240690a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3255 B8R0.9 CNC(=O)CCC(C)C 527a_100102657272_100000181311 [1,1,0,0,0,0|1,0,0]=3 3256 B8R0.9 CNC(=O)CCC(C)O 1626a_100102657272_100000718519 [1,1,0,0,0,0|1,0,0]=3 3257 B8R0.9 CNC(=O)CCN(C)C 11a_106832991635_100000689311 [1,1,0,0,0,0|2,0,0]=4 3258 B8R0.9 CNC(=O)CCN(C)C 2230a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3259 B8R0.9 CNC(=O)CCN(C)C 2230a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3260 B8R0.9 CNC(=O)CCN(C)C 240690a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3261 B8R0.9 CNC(=O)CCN(C)C 269982a_100000750875_200000210301 [1,1,0,0,0,0|2,0,0]=4 3262 B8R0.9 CNC(=O)CCN(C)C 269982a_100102631434_100000737683 [1,1,0,0,0,0|2,0,0]=4 3263 B8R0.9 CNC(=O)CCN(C)C 527a_100102657272_100000689311 [1,1,0,0,0,0|2,0,0]=4 3264 B8R0.9 CNC(=O)CCN(C)[13CH3] 2230a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3265 B8R0.9 CNC(=O)CCN(C)[13CH3] 269982a_100000750875_200025704644 [1,1,0,0,0,0|2,0,0]=4 3266 B8R0.9 CNC(=O)CC[S+](C)C 11a_106832991635_100009452791 [1,1,0,0,0,0|2,0,0]=4 3267 B8R0.9 CNC(=O)CC[S+](C)C 1626a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 3268 B8R0.9 CNC(=O)CC[S+](C)C 240690a_100102657272_100009452791 [1,1,0,0,0,0|2,0,0]=4 3269 B8R0.9 CNC(=O)CNC(C)C 2230a_100000693194_100000210206 [1,1,0,0,0,0|2,0,0]=4 3270 B8R0.9 CNC(=O)CNC(C)C 2230a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 3271 B8R0.9 CNC(=O)CNC(C)C 34a_100138425928_100000183359 [1,1,0,0,0,0|2,0,0]=4 3272 B8R0.9 CNC(=O)COC(C)C 11a_106832991635_100000745533 [1,1,0,0,0,0|2,0,0]=4 3273 B8R0.9 CNC(=O)COC(C)C 1626a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3274 B8R0.9 CNC(=O)COC(C)C 240690a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3275 B8R0.9 CNC(=O)COC(C)C 34a_100000212225_100000183359 [1,1,0,0,0,0|2,0,0]=4 3276 B8R0.9 CNC(=O)COC(C)C 34a_100000750040_100000210206 [1,1,0,0,0,0|2,0,0]=4 3277 B8R0.9 CNC(=O)COC(C)C 527a_100102657272_100000745533 [1,1,0,0,0,0|2,0,0]=4 3278 B8R0.9 CNC(=O)CSC(C)C 11a_106832991635_100000241585 [1,1,0,0,0,0|2,0,0]=4 3279 B8R0.9 CNC(=O)CSC(C)C 1626a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3280 B8R0.9 CNC(=O)CSC(C)C 240690a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3281 B8R0.9 CNC(=O)CSC(C)C 527a_100102657272_100000241585 [1,1,0,0,0,0|2,0,0]=4 3282 B8R0.9 CNC(=O)CSC(C)C 62a_100000183359_100000210206 [1,1,0,0,0,0|2,0,0]=4 3283 B8R0.9 CNC(=O)CSC(C)C 62a_100000210206_100000183359 [1,1,0,0,0,0|2,0,0]=4 3284 B8R0.9 CNC(=O)NCC(C)C 2708a_100000210953_106832991635 [1,1,0,0,0,0|2,0,0]=4 3285 B8R0.9 CNC(=O)NCC(C)C 2708a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 3286 B8R0.9 CNC(=O)NCC(C)C 273464a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 3287 B8R0.9 CNC(=O)NCC(C)C 273464a_100102657272_100000210953 [1,1,0,0,0,0|2,0,0]=4 3288 B8R0.9 CNC(=O)NCC(C)C 512a_100000210953_100102657272 [1,1,0,0,0,0|2,0,0]=4 3289 B8R0.9 CNC(=O)NCC(C)C 512a_106832991638_100000210953 [1,1,0,0,0,0|2,0,0]=4 3290 B8R0.9 CNC(=O)NCC(C)O 2708a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 3291 B8R0.9 CNC(=O)NCC(C)O 273464a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 3292 B8R0.9 CNC(=O)NCC(C)O 273464a_100102657272_100000210904 [1,1,0,0,0,0|2,0,0]=4 3293 B8R0.9 CNC(=O)NCC(C)O 512a_100000210904_100102657272 [1,1,0,0,0,0|2,0,0]=4 3294 B8R0.9 CNC(=O)NCC(C)O 512a_106832991638_100000210904 [1,1,0,0,0,0|2,0,0]=4 3295 B8R0.9 COC(=O)CCC(=O)C 1458a_100000187943_200000210301 [1,1,0,0,0,0|1,0,1]=4 3296 B8R0.9 COC(=O)CCC(=O)[13CH3] 1458a_100000187943_200025704644 [1,1,0,0,0,0|1,0,1]=4 3297 B8R0.9 COC(=O)CCN(C)C 2230a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 3298 B8R0.9 COC(=O)CCN(C)C 269982a_100025711912_200000210301 [1,1,0,0,0,0|2,0,0]=4 3299 B8R0.9 COC(=O)CCN(C)C 269982a_100102631434_100000204255 [1,1,0,0,0,0|2,0,0]=4 3300 B8R0.9 COC(=O)CCN(C)[13CH3] 269982a_100025711912_200025704644 [1,1,0,0,0,0|2,0,0]=4 3301 B8R0.9 COC(=O)CNC(C)C 2230a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3302 B8R0.9 COC(=O)CNC(C)C 34a_100138425928_100000747449 [1,1,0,0,0,0|2,0,0]=4 3303 B8R0.9 COC(=O)COC(C)C 34a_100000212225_100000747449 [1,1,0,0,0,0|2,0,0]=4 3304 B8R0.9 COC(=O)CSC(C)C 62a_100000210206_100000747449 [1,1,0,0,0,0|2,0,0]=4 3305 B8R0.9 COC(=O)CSC(C)C 62a_100000747449_100000210206 [1,1,0,0,0,0|2,0,0]=4 3306 B8R0.11 CCCOC(C=O)C=O 34a_100000210258_100000736813 [1,1,0,0,0,0|1,0,1]=4 3307 B8R0.11 CCCSC(C=O)C=O 62a_100000210303_100000736813 [1,1,0,0,0,0|1,0,1]=4 3308 B8R0.11 CCCSC(C=O)C=O 62a_100000736813_100000210303 [1,1,0,0,0,0|1,0,1]=4 3309 B8R0.19 C#CC(=O)CC(C)CC 1458a_100000211873_100000748023 [1,1,0,0,0,0|0,0,2]=4 3310 B8R0.19 C#CC(=O)CC(O)CC 1458a_100000211873_100011218378 [1,1,0,0,0,0|0,0,2]=4 3311 B8R0.19 C#CC(=O)C[C@@H](C)CC 1458a_100000211873_100009816398 [1,1,0,0,0,0|0,0,2]=4 3312 B8R0.19 C=CC(=O)CC(=O)CC 1458a_100000185746_100000747405 [1,1,0,0,0,0|0,0,2]=4 3313 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|0,0,1]=3 3314 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|0,0,1]=3 3315 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|0,0,1]=3 3316 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|1,0,1]=4 3317 B8R0.19 C=CC(=O)NC(C)CC 1626a_100000209981_100000185746 [1,1,0,0,0,0|1,0,1]=4 3318 B8R0.19 C=CC(=O)NC(C)CC 240690a_100000209981_200121576911 [1,1,0,0,0,0|1,0,1]=4 3319 B8R0.19 CCC(=O)CC(=O)CC 1458a_100000210414_100000747405 [1,1,0,0,0,0|0,0,2]=4 3320 B8R0.19 CCC(=O)CC(=O)NC 1458a_100000210414_100000183359 [1,1,0,0,0,0|1,0,1]=4 3321 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000210414_100000747449 [1,1,0,0,0,0|1,0,1]=4 3322 B8R0.19 CCC(=O)CC(=O)OC 1458a_100000211351_100000210202 [1,1,0,0,0,0|1,0,1]=4 3323 B8R0.19 CCC(=O)CC(C)CC 1458a_100000210414_100000748023 [1,1,0,0,0,0|0,0,1]=3 3324 B8R0.19 CCC(=O)CC(C)CC 1458a_100000708755_100000210202 [1,1,0,0,0,0|0,0,1]=3 3325 B8R0.19 CCC(=O)CC(O)CC 1458a_100000210414_100011218378 [1,1,0,0,0,0|0,0,1]=3 3326 B8R0.19 CCC(=O)CC(O)CC 1458a_100011667805_100000210202 [1,1,0,0,0,0|0,0,1]=3 3327 B8R0.19 CCC(=O)CN(C)CC 1458a_100116209913_100000210202 [1,1,0,0,0,0|1,0,1]=4 3328 B8R0.19 CCC(=O)CN(C)CC 269982a_100000225621_100000747405 [1,1,0,0,0,0|1,0,1]=4 3329 B8R0.19 CCC(=O)C[C@@H](C)CC 1458a_100000210414_100009816398 [1,1,0,0,0,0|0,0,1]=3 3330 B8R0.19 CCC(=O)C[C@@H](C)CO 1458a_100000210414_100000059175 [1,1,0,0,0,0|1,0,1]=4 3331 B8R0.19 CCC(=O)NC(C)CC 11a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3332 B8R0.19 CCC(=O)NC(C)CC 1626a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3333 B8R0.19 CCC(=O)NC(C)CC 240690a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3334 B8R0.19 CCC(=O)NC(C)CC 527a_100000209981_100000210414 [1,1,0,0,0,0|1,0,1]=4 3335 B8R0.19 CCC(C)CC(=O)CF 1458a_100000708755_100015361967 [1,1,0,0,0,0|1,0,1]=4 3336 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|0,0,2]=4 3337 B8R0.19 CCC(C)CC(=O)NC 11a_106832991635_100000708755 [1,1,0,0,0,0|1,0,0]=3 3338 B8R0.19 CCC(C)CC(=O)NC 1626a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3339 B8R0.19 CCC(C)CC(=O)NC 240690a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3340 B8R0.19 CCC(C)CC(=O)NC 527a_100102657272_100000708755 [1,1,0,0,0,0|1,0,0]=3 3341 B8R0.19 CCC(C)NC(=O)NC 2708a_100000209981_106832991635 [1,1,0,0,0,0|2,0,0]=4 3342 B8R0.19 CCC(C)NC(=O)NC 2708a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 3343 B8R0.19 CCC(C)NC(=O)NC 273464a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 3344 B8R0.19 CCC(C)NC(=O)NC 273464a_100102657272_100000209981 [1,1,0,0,0,0|2,0,0]=4 3345 B8R0.19 CCC(C)NC(=O)NC 512a_100000209981_100102657272 [1,1,0,0,0,0|2,0,0]=4 3346 B8R0.19 CCC(C)NC(=O)NC 512a_106832991638_100000209981 [1,1,0,0,0,0|2,0,0]=4 3347 B8R0.19 CCC(O)CC(=O)CF 1458a_100011667805_100015361967 [1,1,0,0,0,0|1,0,1]=4 3348 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|0,0,2]=4 3349 B8R0.19 CCC(O)CC(=O)NC 1626a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 3350 B8R0.19 CCC(O)CC(=O)NC 240690a_100102657272_100011667805 [1,1,0,0,0,0|1,0,0]=3 3351 B8R0.19 CCN(C)CC(=O)NC 2230a_100000189611_100000210202 [1,1,0,0,0,0|2,0,0]=4 3352 B8R0.19 CCN(C)CC(=O)NC 2230a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 3353 B8R0.19 CCN(C)CC(=O)NC 240690a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 3354 B8R0.19 CCN(C)CC(=O)NC 269982a_100000225621_100000183359 [1,1,0,0,0,0|2,0,0]=4 3355 B8R0.19 CCN(C)CC(=O)NC 527a_100102657272_100116209913 [1,1,0,0,0,0|2,0,0]=4 3356 B8R0.19 CCN(C)CC(=O)OC 2230a_100000198492_100000210202 [1,1,0,0,0,0|2,0,0]=4 3357 B8R0.19 CCN(C)CC(=O)OC 2230a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3358 B8R0.19 CCN(C)CC(=O)OC 269982a_100000225621_100000747449 [1,1,0,0,0,0|2,0,0]=4 3359 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|0,0,2]=4 3360 B8R0.19 CNC(C)CC(=O)OC 2230a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 3361 B8R0.19 CNC(C)CC(=O)OC 34a_100102657272_100009817358 [1,1,0,0,0,0|2,0,0]=4 3362 B8R0.19 CNC(C)CC(=O)OC 7a_106832991635_100009817358 [1,1,0,0,0,0|2,0,0]=4 3363 B8R0.19 COC(=O)CC(C)OC 34a_100138415774_100009817358 [1,1,0,0,0,0|2,0,0]=4 3364 B8R0.19 COC(=O)CC(C)SC 62a_100009817358_200000210301 [1,1,0,0,0,0|2,0,0]=4 3365 B8R0.19 COC(=O)CC(C)SC 62a_200000210301_100009817358 [1,1,0,0,0,0|2,0,0]=4 3366 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_100009817358_200025704644 [1,1,0,0,0,0|2,0,0]=4 3367 B8R0.19 COC(=O)CC(C)S[13CH3] 62a_200025704644_100009817358 [1,1,0,0,0,0|2,0,0]=4 3368 B8R0.25 CCCCS(=O)(=O)NC 270084a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 3369 B8R0.25 CCCCS(=O)(=O)NC 274078a_100102657272_100000212082 [1,1,0,0,0,0|2,0,0]=4 3370 B8R0.25 CCCCS(=O)(=O)NC 40a_100102657272_100000054263 [1,1,0,0,0,0|2,0,0]=4 3371 B8R0.5 C=C(CCC)CC(=O)C 1458a_100000138376_200000210301 [1,1,0,0,0,0|0,0,2]=4 3372 B8R0.5 C=C(CCC)CC(=O)[13CH3] 1458a_100000138376_200025704644 [1,1,0,0,0,0|0,0,2]=4 3373 B8R0.5 CC(=O)N[C@H](C)CCO 240690a_100000706166_100015343762 [1,1,0,0,0,0|2,0,0]=4 3374 B8R0.5 CC(=O)N[C@H](C)CCO 527a_100000706166_100103153847 [1,1,0,0,0,0|2,0,0]=4 3375 B8R0.5 CCCC(=CC(=O)C)C 1458a_100020676950_200000210301 [1,1,0,0,0,0|0,0,1]=3 3376 B8R0.5 CCCC(=CC(=O)[13CH3])C 1458a_100020676950_200025704644 [1,1,0,0,0,0|0,0,1]=3 3377 B8R0.5 CCCC(=O)C=C(C)C 1458a_100000211388_100000210303 [1,1,0,0,0,0|1,0,1]=4 3378 B8R0.5 CCCC(=O)C=C(C)Cl 1458a_200042562850_100000210303 [1,1,0,0,0,0|1,0,1]=4 3379 B8R0.5 CCCC(=O)C=C(C)I 1458a_100025716642_100000210303 [1,1,0,0,0,0|1,0,1]=4 3380 B8R0.5 CCCC(=O)CC(=O)C 1458a_100000070787_100000747444 [1,1,0,0,0,0|0,0,2]=4 3381 B8R0.5 CCCC(C)CC(=O)C 1458a_100000070787_100011216630 [1,1,0,0,0,0|0,0,1]=3 3382 B8R0.5 CCCC(C)CC(=O)C 1458a_100000748435_200000210301 [1,1,0,0,0,0|0,0,1]=3 3383 B8R0.5 CCCC(C)CC(=O)[13CH3] 1458a_100000748435_200025704644 [1,1,0,0,0,0|0,0,1]=3 3384 B8R0.5 CCCC(C)NC(=O)C 11a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3385 B8R0.5 CCCC(C)NC(=O)C 1626a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3386 B8R0.5 CCCC(C)NC(=O)C 240690a_100000741246_100015343762 [1,1,0,0,0,0|1,0,0]=3 3387 B8R0.5 CCCC(C)NC(=O)C 527a_100000741246_100103153847 [1,1,0,0,0,0|1,0,0]=3 3388 B8R0.5 CCCS(=O)CC(=O)C 1458a_100011387404_200000210301 [1,1,0,0,0,0|1,0,1]=4 3389 B8R0.5 CCCS(=O)CC(=O)[13CH3] 1458a_100011387404_200025704644 [1,1,0,0,0,0|1,0,1]=4 3390 B8R0.5 CCOC(C)C=C(C)C 34a_100000717055_100000210202 [1,1,0,0,0,0|2,0,0]=4 3391 B8R0.5 CCSC(C)CC(=O)C 1458a_200011311441_200000210301 [1,1,0,0,0,0|1,0,1]=4 3392 B8R0.5 CCSC(C)CC(=O)[13CH3] 1458a_200011311441_200025704644 [1,1,0,0,0,0|1,0,1]=4 3393 B8R0.5 CCSC(C)OC(=O)C 62a_100000210202_100009818208 [1,1,0,0,0,0|2,0,0]=4 3394 B8R0.5 CCSC(C)OC(=O)C 62a_100009818208_100000210202 [1,1,0,0,0,0|2,0,0]=4 3395 B8R0.5 COC[C@@H](C)NC(=O)C 11a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 3396 B8R0.5 COC[C@@H](C)NC(=O)C 1626a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 3397 B8R0.5 COC[C@@H](C)NC(=O)C 240690a_100000764878_100015343762 [1,1,0,0,0,0|2,0,0]=4 3398 B8R0.5 COC[C@@H](C)NC(=O)C 527a_100000764878_100103153847 [1,1,0,0,0,0|2,0,0]=4 3399 B8R0.7 C#CCCCCC(=O)C 1458a_100000070787_100010269958 [1,1,0,0,0,0|0,0,2]=4 3400 B8R0.7 C#CCCCCC(=O)C 1458a_100000696528_200000210301 [1,1,0,0,0,0|0,0,2]=4 3401 B8R0.7 C#CCCCCC(=O)[13CH3] 1458a_100000696528_200025704644 [1,1,0,0,0,0|0,0,2]=4 3402 B8R0.7 C#CCCCNC(=O)C 11a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 3403 B8R0.7 C#CCCCNC(=O)C 1626a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 3404 B8R0.7 C#CCCCNC(=O)C 240690a_100000718082_100015343762 [1,1,0,0,0,0|1,0,1]=4 3405 B8R0.7 C#CCCCNC(=O)C 527a_100000718082_100103153847 [1,1,0,0,0,0|1,0,1]=4 3406 B8R0.7 C=C(C)C=NNCCC 4a_100000740057_100000210575 [1,1,0,0,0,0|2,0,0]=4 3407 B8R0.7 C=C(C)CCOCCC 34a_100000210258_100000730704 [1,1,0,0,0,0|1,0,1]=4 3408 B8R0.7 C=C(C)CCOCCC 34a_100000764851_100000210303 [1,1,0,0,0,0|1,0,1]=4 3409 B8R0.7 C=C(C)CCSCCC 62a_100000210303_100000730704 [1,1,0,0,0,0|1,0,1]=4 3410 B8R0.7 C=C(C)CCSCCC 62a_100000730704_100000210303 [1,1,0,0,0,0|1,0,1]=4 3411 B8R0.7 C=C(C)CNCCCC 2230a_100000102301_100000748629 [1,1,0,0,0,0|1,0,1]=4 3412 B8R0.7 C=C(C)CNCCCC 7a_106832991798_100000748629 [1,1,0,0,0,0|1,0,1]=4 3413 B8R0.7 C=C(C)COCCCC 34a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3414 B8R0.7 C=C(C)COCCCC 34a_100000210245_100000210210 [1,1,0,0,0,0|1,0,1]=4 3415 B8R0.7 C=C(C)COCCCC 7a_100000210227_100000748629 [1,1,0,0,0,0|1,0,1]=4 3416 B8R0.7 C=C(C)CSCCCC 62a_100000210211_100000211660 [1,1,0,0,0,0|1,0,1]=4 3417 B8R0.7 C=C(C)CSCCCC 62a_100000748629_100000210210 [1,1,0,0,0,0|1,0,1]=4 3418 B8R0.7 C=CCCCCC(=O)C 1458a_100000070787_100011215482 [1,1,0,0,0,0|0,0,2]=4 3419 B8R0.7 C=CCCCCC(=O)C 1458a_100011215552_200000210301 [1,1,0,0,0,0|0,0,2]=4 3420 B8R0.7 C=CCCCCC(=O)[13CH3] 1458a_100011215552_200025704644 [1,1,0,0,0,0|0,0,2]=4 3421 B8R0.7 C=CCCCNC(=O)C 11a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 3422 B8R0.7 C=CCCCNC(=O)C 1626a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 3423 B8R0.7 C=CCCCNC(=O)C 240690a_100000700776_100015343762 [1,1,0,0,0,0|1,0,1]=4 3424 B8R0.7 C=CCCCNC(=O)C 527a_100000700776_100103153847 [1,1,0,0,0,0|1,0,1]=4 3425 B8R0.7 CC(=CCCSCF)C 62a_100011217483_100015361967 [1,1,0,0,0,0|2,0,0]=4 3426 B8R0.7 CC(=CCCSCF)C 62a_100015361967_100011217483 [1,1,0,0,0,0|2,0,0]=4 3427 B8R0.7 CC(=CCNCCF)C 34a_100000718196_100011217306 [1,1,0,0,0,0|2,0,0]=4 3428 B8R0.7 CC(=CCNCCF)C 34a_100000724931_100000761012 [1,1,0,0,0,0|2,0,0]=4 3429 B8R0.7 CC(=CCNCCO)C 2230a_100016997473_100000761012 [1,1,0,0,0,0|2,0,0]=4 3430 B8R0.7 CC(=CCNCCO)C 34a_100000718196_100000211926 [1,1,0,0,0,0|2,0,0]=4 3431 B8R0.7 CC(=CCNCCO)C 34a_100016990907_100000761012 [1,1,0,0,0,0|2,0,0]=4 3432 B8R0.7 CC(=CCOCCBr)C 34a_100000211926_100000761012 [1,1,0,0,0,0|2,0,0]=4 3433 B8R0.7 CC(=CCOCCF)C 34a_100000753907_100011217306 [1,1,0,0,0,0|2,0,0]=4 3434 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|2,0,0]=4 3435 B8R0.7 CC(=CCOCCO)C 34a_100000753907_100000211926 [1,1,0,0,0,0|2,0,0]=4 3436 B8R0.7 CC(=CCSCCF)C 62a_100000761012_100011217306 [1,1,0,0,0,0|2,0,0]=4 3437 B8R0.7 CC(=CCSCCF)C 62a_100011217306_100000761012 [1,1,0,0,0,0|2,0,0]=4 3438 B8R0.7 CC(=CCSCCO)C 62a_100000211926_100000761012 [1,1,0,0,0,0|2,0,0]=4 3439 B8R0.7 CC(=CCSCCO)C 62a_100000761012_100000211926 [1,1,0,0,0,0|2,0,0]=4 3440 B8R0.7 CC(=O)CCCCC#N 1458a_100000070787_100000211819 [1,1,0,0,0,0|0,0,2]=4 3441 B8R0.7 CC(=O)CCCCCF 1458a_100000070787_100000729378 [1,1,0,0,0,0|0,0,1]=3 3442 B8R0.7 CC(=O)CCCCCO 1458a_100000070787_100000746330 [1,1,0,0,0,0|0,0,1]=3 3443 B8R0.7 CC(=O)CCCCCO 1458a_100102619762_200000210301 [1,1,0,0,0,0|0,0,1]=3 3444 B8R0.7 CC(=O)CCCCS[13CH3] 62a_100000735457_200025704644 [1,1,0,0,0,0|0,0,1]=3 3445 B8R0.7 CC(=O)CCCCS[13CH3] 62a_200025704644_100000735457 [1,1,0,0,0,0|0,0,1]=3 3446 B8R0.7 CC(=O)CCCOCF 34a_100000759063_100015361967 [1,1,0,0,0,0|1,0,1]=4 3447 B8R0.7 CC(=O)CCCOCF 7a_100000759063_100015361967 [1,1,0,0,0,0|1,0,1]=4 3448 B8R0.7 CC(=O)CCCSCF 62a_100011215641_100015361967 [1,1,0,0,0,0|1,0,1]=4 3449 B8R0.7 CC(=O)CCCSCF 62a_100015361967_100011215641 [1,1,0,0,0,0|1,0,1]=4 3450 B8R0.7 CC(=O)CCOCCF 34a_100000759926_100011217306 [1,1,0,0,0,0|1,0,1]=4 3451 B8R0.7 CC(=O)CCOCCF 7a_100000759926_100011217306 [1,1,0,0,0,0|1,0,1]=4 3452 B8R0.7 CC(=O)CCOCCO 1458a_100000070787_100011215305 [1,1,0,0,0,0|1,0,1]=4 3453 B8R0.7 CC(=O)CCOCCO 1458a_100011229844_200000210301 [1,1,0,0,0,0|1,0,1]=4 3454 B8R0.7 CC(=O)CCOCCO 34a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 3455 B8R0.7 CC(=O)CCOCCO 7a_100000759926_100000211926 [1,1,0,0,0,0|1,0,1]=4 3456 B8R0.7 CC(=O)CCSCCF 62a_100000053229_100011217306 [1,1,0,0,0,0|1,0,1]=4 3457 B8R0.7 CC(=O)CCSCCF 62a_100011217306_100000053229 [1,1,0,0,0,0|1,0,1]=4 3458 B8R0.7 CC(=O)CCSCCO 62a_100000053229_100000211926 [1,1,0,0,0,0|1,0,1]=4 3459 B8R0.7 CC(=O)CCSCCO 62a_100000211926_100000053229 [1,1,0,0,0,0|1,0,1]=4 3460 B8R0.7 CC(=O)COCCCF 34a_100000211253_100011934791 [1,1,0,0,0,0|1,0,1]=4 3461 B8R0.7 CC(=O)COCCCO 34a_100000211253_100000230001 [1,1,0,0,0,0|1,0,1]=4 3462 B8R0.7 CC(=O)NCCCCO 240690a_100000750430_100015343762 [1,1,0,0,0,0|1,0,0]=3 3463 B8R0.7 CC(=O)NCCCCO 527a_100000750430_100103153847 [1,1,0,0,0,0|1,0,0]=3 3464 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|1,0,0]=3 3465 B8R0.7 CC(=O)NCCCO[13CH3] 34a_100000752032_200025704644 [1,1,0,0,0,0|1,0,0]=3 3466 B8R0.7 CC(=O)NCCOCF 34a_100000158858_100015361967 [1,1,0,0,0,0|2,0,0]=4 3467 B8R0.7 CC(=O)NCCSCF 62a_100000189650_100015361967 [1,1,0,0,0,0|2,0,0]=4 3468 B8R0.7 CC(=O)NCCSCF 62a_100015361967_100000189650 [1,1,0,0,0,0|2,0,0]=4 3469 B8R0.7 CC(=O)OCCCS[13CH3] 62a_100000042594_200025704644 [1,1,0,0,0,0|1,0,0]=3 3470 B8R0.7 CC(=O)OCCCS[13CH3] 62a_200025704644_100000042594 [1,1,0,0,0,0|1,0,0]=3 3471 B8R0.7 CC(=O)OCCSCF 62a_100009814007_100015361967 [1,1,0,0,0,0|2,0,0]=4 3472 B8R0.7 CC(=O)OCCSCF 62a_100015361967_100009814007 [1,1,0,0,0,0|2,0,0]=4 3473 B8R0.7 CC(=O)OCNCCF 34a_100000724931_100009813279 [1,1,0,0,0,0|2,0,0]=4 3474 B8R0.7 CC(=O)OCNCCO 34a_100016990907_100009813279 [1,1,0,0,0,0|2,0,0]=4 3475 B8R0.7 CC(=O)OCOCCBr 34a_100000211926_100009813279 [1,1,0,0,0,0|2,0,0]=4 3476 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,1,0,0,0,0|2,0,0]=4 3477 B8R0.7 CC(=O)OCSCCF 62a_100000076356_100011217306 [1,1,0,0,0,0|2,0,0]=4 3478 B8R0.7 CC(=O)OCSCCF 62a_100011217306_100000076356 [1,1,0,0,0,0|2,0,0]=4 3479 B8R0.7 CC(=O)OCSCCO 62a_100000076356_100000211926 [1,1,0,0,0,0|2,0,0]=4 3480 B8R0.7 CC(=O)OCSCCO 62a_100000211926_100000076356 [1,1,0,0,0,0|2,0,0]=4 3481 B8R0.7 CC(=O)SCCCS[13CH3] 62a_100000038929_200025704644 [1,1,0,0,0,0|1,0,0]=3 3482 B8R0.7 CC(=O)SCCCS[13CH3] 62a_200025704644_100000038929 [1,1,0,0,0,0|1,0,0]=3 3483 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200025704644_200135323944 [1,1,0,0,0,0|1,1,0]=4 3484 B8R0.7 CC(=S)OCCCS[13CH3] 62a_200135323944_200025704644 [1,1,0,0,0,0|1,1,0]=4 3485 B8R0.7 CC/C=C\CCC(=O)C 1458a_100000070787_100015370543 [1,1,0,0,0,0|0,0,2]=4 3486 B8R0.7 CCC/C=C/CC(=O)C 1458a_200016266809_200000210301 [1,1,0,0,0,0|0,0,1]=3 3487 B8R0.7 CCC/C=C/CC(=O)[13CH3] 1458a_200016266809_200025704644 [1,1,0,0,0,0|0,0,1]=3 3488 B8R0.7 CCCC=NNC(=O)C 4a_100000189765_100000185831 [1,1,0,0,0,0|1,0,1]=4 3489 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|0,0,0]=2 3490 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|0,0,0]=2 3491 B8R0.7 CCCCCCC(=O)C 1458a_100000070787_100000210757 [1,1,0,0,0,0|0,0,1]=3 3492 B8R0.7 CCCCCCC(=O)C 1458a_100102632555_200000210301 [1,1,0,0,0,0|0,0,1]=3 3493 B8R0.7 CCCCCCC(=O)[13CH3] 1458a_100102632555_200025704644 [1,1,0,0,0,0|0,0,1]=3 3494 B8R0.7 CCCCCNC(=O)C 11a_100000209983_100015343762 [1,1,0,0,0,0|0,0,1]=3 3495 B8R0.7 CCCCCNC(=O)C 1626a_100000209983_100015343762 [1,1,0,0,0,0|0,0,1]=3 3496 B8R0.7 CCCCCNC(=O)C 240690a_100000209983_100015343762 [1,1,0,0,0,0|0,0,1]=3 3497 B8R0.7 CCCCCNC(=O)C 527a_100000209983_100103153847 [1,1,0,0,0,0|0,0,1]=3 3498 B8R0.7 CCCCNCC(=O)N 2230a_100000102301_100000747473 [1,1,0,0,0,0|1,0,1]=4 3499 B8R0.7 CCCCNCC(=O)N 2230a_100000711301_100000210211 [1,1,0,0,0,0|1,0,1]=4 3500 B8R0.7 CCCCNCC(=O)N 7a_106832991798_100000187820 [1,1,0,0,0,0|1,0,1]=4 3501 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 3502 B8R0.7 CCCCNNC(=O)C 22a_100025702795_100000070787 [1,1,0,0,0,0|1,0,0]=3 3503 B8R0.7 CCCCOCC(=O)C 1458a_100000070787_100011995733 [1,1,0,0,0,0|0,0,1]=3 3504 B8R0.7 CCCCOCC(=O)C 1458a_100000757543_200000210301 [1,1,0,0,0,0|0,0,1]=3 3505 B8R0.7 CCCCOCC(=O)C 34a_100000211253_100000210210 [1,1,0,0,0,0|0,0,1]=3 3506 B8R0.7 CCCCOCC(=O)N 34a_100000210227_100000187820 [1,1,0,0,0,0|1,0,1]=4 3507 B8R0.7 CCCCOCC(=O)N 7a_100000210227_100000187820 [1,1,0,0,0,0|1,0,1]=4 3508 B8R0.7 CCCCOCC(=O)[13CH3] 1458a_100000757543_200025704644 [1,1,0,0,0,0|0,0,1]=3 3509 B8R0.7 CCCCOCC(=O)[O-] 34a_100000210227_100020667443 [1,1,0,0,0,0|1,0,1]=4 3510 B8R0.7 CCCCSCC(=O)C 1458a_100000191162_200000210301 [1,1,0,0,0,0|0,0,1]=3 3511 B8R0.7 CCCCSCC(=O)N 62a_100000210211_100000747473 [1,1,0,0,0,0|1,0,1]=4 3512 B8R0.7 CCCCSCC(=O)N 62a_100000747473_100000210210 [1,1,0,0,0,0|1,0,1]=4 3513 B8R0.7 CCCCSCC(=O)[13CH3] 1458a_100000191162_200025704644 [1,1,0,0,0,0|0,0,1]=3 3514 B8R0.7 CCCCSCC(=O)[O-] 62a_100000210211_100020667443 [1,1,0,0,0,0|1,0,1]=4 3515 B8R0.7 CCCCSCC(=O)[O-] 62a_100020667443_100000210210 [1,1,0,0,0,0|1,0,1]=4 3516 B8R0.7 CCCNCC=C(C)C 34a_100000718196_100000210303 [1,1,0,0,0,0|1,0,0]=3 3517 B8R0.7 CCCOCC=C(C)C 34a_100000210258_100000761012 [1,1,0,0,0,0|1,0,0]=3 3518 B8R0.7 CCCOCC=C(C)C 34a_100000753907_100000210303 [1,1,0,0,0,0|1,0,0]=3 3519 B8R0.7 CCCOCCC(=O)C 1458a_100000070787_100011215938 [1,1,0,0,0,0|0,0,1]=3 3520 B8R0.7 CCCOCCC(=O)C 34a_100000759926_100000210303 [1,1,0,0,0,0|0,0,1]=3 3521 B8R0.7 CCCOCCC(=O)C 7a_100000759926_100000210303 [1,1,0,0,0,0|0,0,1]=3 3522 B8R0.7 CCCOCCC(=O)N 34a_100000210258_100000731001 [1,1,0,0,0,0|1,0,1]=4 3523 B8R0.7 CCCOCCC(=O)N 34a_100000757172_100000210303 [1,1,0,0,0,0|1,0,1]=4 3524 B8R0.7 CCCOCCC(=O)N 7a_100000757172_100000210303 [1,1,0,0,0,0|1,0,1]=4 3525 B8R0.7 CCCOCOC(=O)C 34a_100000210258_100009813279 [1,1,0,0,0,0|1,0,0]=3 3526 B8R0.7 CCCSCC=C(C)C 62a_100000210303_100000761012 [1,1,0,0,0,0|1,0,0]=3 3527 B8R0.7 CCCSCC=C(C)C 62a_100000761012_100000210303 [1,1,0,0,0,0|1,0,0]=3 3528 B8R0.7 CCCSCCC(=O)C 62a_100000053229_100000210303 [1,1,0,0,0,0|0,0,1]=3 3529 B8R0.7 CCCSCCC(=O)C 62a_100000210303_100000053229 [1,1,0,0,0,0|0,0,1]=3 3530 B8R0.7 CCCSCCC(=O)N 62a_100000210303_100000744528 [1,1,0,0,0,0|1,0,1]=4 3531 B8R0.7 CCCSCCC(=O)N 62a_100000744528_100000210303 [1,1,0,0,0,0|1,0,1]=4 3532 B8R0.7 CCCSCOC(=O)C 62a_100000076356_100000210303 [1,1,0,0,0,0|1,0,0]=3 3533 B8R0.7 CCCSCOC(=O)C 62a_100000210303_100000076356 [1,1,0,0,0,0|1,0,0]=3 3534 B8R0.7 CCNCCC=C(C)C 2230a_100015525214_100011217483 [1,1,0,0,0,0|1,0,0]=3 3535 B8R0.7 CCNCCC=C(F)F 2230a_100015525214_200009816681 [1,1,0,0,0,0|2,0,0]=4 3536 B8R0.7 CCNCCCC(=O)N 34a_100000739312_100000210202 [1,1,0,0,0,0|1,0,1]=4 3537 B8R0.7 CCNCCCS(=O)C 2230a_200000753449_100000210202 [1,1,0,0,0,0|1,0,1]=4 3538 B8R0.7 CCNCCNC(=O)C 2230a_100000209853_100000210202 [1,1,0,0,0,0|1,0,0]=3 3539 B8R0.7 CCNCCNC(=O)C 2230a_100015525214_100000189650 [1,1,0,0,0,0|1,0,0]=3 3540 B8R0.7 CCNCCNC(=O)N 2230a_100015525214_200000034859 [1,1,0,0,0,0|2,0,0]=4 3541 B8R0.7 CCNCCNC(=O)N 34a_100020590234_100000210202 [1,1,0,0,0,0|2,0,0]=4 3542 B8R0.7 CCOCCC=C(C)C 34a_100121572206_100011217483 [1,1,0,0,0,0|1,0,0]=3 3543 B8R0.7 CCOCCC=C(F)F 34a_100121572206_200009816681 [1,1,0,0,0,0|2,0,0]=4 3544 B8R0.7 CCOCCCC(=O)C 1458a_100000070787_100012232248 [1,1,0,0,0,0|0,0,1]=3 3545 B8R0.7 CCOCCCC(=O)C 34a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 3546 B8R0.7 CCOCCCC(=O)C 34a_100121572206_100000685027 [1,1,0,0,0,0|0,0,1]=3 3547 B8R0.7 CCOCCCC(=O)C 7a_100000759063_100000210202 [1,1,0,0,0,0|0,0,1]=3 3548 B8R0.7 CCOCCCC(=O)N 34a_100121572206_100102525003 [1,1,0,0,0,0|1,0,1]=4 3549 B8R0.7 CCOCCNC(=O)C 11a_100011200944_100015343762 [1,1,0,0,0,0|1,0,0]=3 3550 B8R0.7 CCOCCNC(=O)C 1626a_102516460346_100015343762 [1,1,0,0,0,0|1,0,0]=3 3551 B8R0.7 CCOCCNC(=O)C 240690a_100011200944_100015343762 [1,1,0,0,0,0|1,0,0]=3 3552 B8R0.7 CCOCCNC(=O)C 34a_100000158858_100000210202 [1,1,0,0,0,0|1,0,0]=3 3553 B8R0.7 CCOCCNC(=O)C 527a_100011200944_100103153847 [1,1,0,0,0,0|1,0,0]=3 3554 B8R0.7 CCOCCNC(=O)N 34a_100000181757_100000210202 [1,1,0,0,0,0|2,0,0]=4 3555 B8R0.7 CCOCCOC(=O)C 34a_100121572206_100009814007 [1,1,0,0,0,0|1,0,0]=3 3556 B8R0.7 CCOCCOC(=O)N 34a_100121572206_200011214921 [1,1,0,0,0,0|2,0,0]=4 3557 B8R0.7 CCOCCOC(=O)N 7a_100000766696_100000210202 [1,1,0,0,0,0|2,0,0]=4 3558 B8R0.7 CCSCCC=C(C)C 62a_100000210202_100011217483 [1,1,0,0,0,0|1,0,0]=3 3559 B8R0.7 CCSCCC=C(C)C 62a_100011217483_100000210202 [1,1,0,0,0,0|1,0,0]=3 3560 B8R0.7 CCSCCC=C(F)F 62a_100000210202_200009816681 [1,1,0,0,0,0|2,0,0]=4 3561 B8R0.7 CCSCCC=C(F)F 62a_200009816681_100000210202 [1,1,0,0,0,0|2,0,0]=4 3562 B8R0.7 CCSCCCC(=O)C 62a_100000210202_100011215641 [1,1,0,0,0,0|0,0,1]=3 3563 B8R0.7 CCSCCCC(=O)C 62a_100011215641_100000210202 [1,1,0,0,0,0|0,0,1]=3 3564 B8R0.7 CCSCCCC(=O)N 62a_100000210202_100102525003 [1,1,0,0,0,0|1,0,1]=4 3565 B8R0.7 CCSCCCC(=O)N 62a_100102525003_100000210202 [1,1,0,0,0,0|1,0,1]=4 3566 B8R0.7 CCSCCNC(=O)C 11a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3567 B8R0.7 CCSCCNC(=O)C 1626a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3568 B8R0.7 CCSCCNC(=O)C 240690a_100000106463_100015343762 [1,1,0,0,0,0|1,0,0]=3 3569 B8R0.7 CCSCCNC(=O)C 527a_100000106463_100103153847 [1,1,0,0,0,0|1,0,0]=3 3570 B8R0.7 CCSCCNC(=O)C 62a_100000189650_100000210202 [1,1,0,0,0,0|1,0,0]=3 3571 B8R0.7 CCSCCNC(=O)C 62a_100000210202_100000189650 [1,1,0,0,0,0|1,0,0]=3 3572 B8R0.7 CCSCCNC(=O)N 62a_100000210202_200000034859 [1,1,0,0,0,0|2,0,0]=4 3573 B8R0.7 CCSCCNC(=O)N 62a_200000034859_100000210202 [1,1,0,0,0,0|2,0,0]=4 3574 B8R0.7 CCSCCOC(=O)C 62a_100000210202_100009814007 [1,1,0,0,0,0|1,0,0]=3 3575 B8R0.7 CCSCCOC(=O)C 62a_100009814007_100000210202 [1,1,0,0,0,0|1,0,0]=3 3576 B8R0.7 CCSCCOC(=O)N 62a_100000210202_200011214921 [1,1,0,0,0,0|2,0,0]=4 3577 B8R0.7 CCSCCOC(=O)N 62a_200011214921_100000210202 [1,1,0,0,0,0|2,0,0]=4 3578 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|0,0,1]=3 3579 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|0,0,1]=3 3580 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,1]=4 3581 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|1,0,0]=3 3582 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|1,0,0]=3 3583 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|1,0,0]=3 3584 B8R0.7 CNCCCOC(=S)C 2230a_106832991635_200135323944 [1,1,0,0,0,0|1,1,0]=4 3585 B8R0.7 CNCCCOC(=S)C 34a_100102657272_200135323944 [1,1,0,0,0,0|1,1,0]=4 3586 B8R0.7 CNCCCOC(=S)C 7a_106832991635_200135323944 [1,1,0,0,0,0|1,1,0]=4 3587 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|1,0,0]=3 3588 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|1,0,0]=3 3589 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|1,0,0]=3 3590 B8R0.7 COCCCCC(=O)C 1458a_100000070787_100000755781 [1,1,0,0,0,0|0,0,1]=3 3591 B8R0.7 COCCCCC(=O)C 34a_100138415774_100009817362 [1,1,0,0,0,0|0,0,1]=3 3592 B8R0.7 COCCCCC(=O)N 34a_100012022536_200000210301 [1,1,0,0,0,0|1,0,1]=4 3593 B8R0.7 COCCCCC(=O)N 7a_100012022536_200000210301 [1,1,0,0,0,0|1,0,1]=4 3594 B8R0.7 COCCCNC(=O)C 1626a_100150723488_100015343762 [1,1,0,0,0,0|1,0,0]=3 3595 B8R0.7 COCCCNC(=O)C 240690a_100150723488_100015343762 [1,1,0,0,0,0|1,0,0]=3 3596 B8R0.7 COCCCNC(=O)C 34a_100000752032_200000210301 [1,1,0,0,0,0|1,0,0]=3 3597 B8R0.7 COCCCNC(=O)C 527a_100150723488_100103153847 [1,1,0,0,0,0|1,0,0]=3 3598 B8R0.7 COCCCOC(=O)C 34a_100138415774_100000042594 [1,1,0,0,0,0|1,0,0]=3 3599 B8R0.7 COCCCOC(=S)C 34a_100138415774_200135323944 [1,1,0,0,0,0|1,1,0]=4 3600 B8R0.7 COCCCSC(=O)C 34a_100138415774_100000038929 [1,1,0,0,0,0|1,0,0]=3 3601 B8R0.7 COCCNNC(=O)C 22a_100000741390_100000070787 [1,1,0,0,0,0|2,0,0]=4 3602 B8R0.7 COCCOCC(=O)C 1458a_100000211095_200000210301 [1,1,0,0,0,0|1,0,1]=4 3603 B8R0.7 COCCOCC(=O)C 34a_100000211253_100011201679 [1,1,0,0,0,0|1,0,1]=4 3604 B8R0.7 COCCOCC(=O)[13CH3] 1458a_100000211095_200025704644 [1,1,0,0,0,0|1,0,1]=4 3605 B8R0.7 COCSCC=C(C)C 62a_100000761012_100000766300 [1,1,0,0,0,0|2,0,0]=4 3606 B8R0.7 COCSCC=C(C)C 62a_100000766300_100000761012 [1,1,0,0,0,0|2,0,0]=4 3607 B8R0.7 COCSCCC(=O)C 62a_100000053229_100000766300 [1,1,0,0,0,0|1,0,1]=4 3608 B8R0.7 COCSCCC(=O)C 62a_100000766300_100000053229 [1,1,0,0,0,0|1,0,1]=4 3609 B8R0.7 COCSCOC(=O)C 62a_100000076356_100000766300 [1,1,0,0,0,0|2,0,0]=4 3610 B8R0.7 COCSCOC(=O)C 62a_100000766300_100000076356 [1,1,0,0,0,0|2,0,0]=4 3611 B8R0.7 CSCCCCC(=O)C 62a_100000735457_200000210301 [1,1,0,0,0,0|0,0,1]=3 3612 B8R0.7 CSCCCCC(=O)C 62a_200000210301_100000735457 [1,1,0,0,0,0|0,0,1]=3 3613 B8R0.7 CSCCCNC(=O)C 11a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3614 B8R0.7 CSCCCNC(=O)C 1626a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3615 B8R0.7 CSCCCNC(=O)C 240690a_100000749238_100015343762 [1,1,0,0,0,0|1,0,0]=3 3616 B8R0.7 CSCCCNC(=O)C 527a_100000749238_100103153847 [1,1,0,0,0,0|1,0,0]=3 3617 B8R0.7 CSCCCOC(=O)C 62a_100000042594_200000210301 [1,1,0,0,0,0|1,0,0]=3 3618 B8R0.7 CSCCCOC(=O)C 62a_200000210301_100000042594 [1,1,0,0,0,0|1,0,0]=3 3619 B8R0.7 CSCCCOC(=S)C 62a_200000210301_200135323944 [1,1,0,0,0,0|1,1,0]=4 3620 B8R0.7 CSCCCOC(=S)C 62a_200135323944_200000210301 [1,1,0,0,0,0|1,1,0]=4 3621 B8R0.7 CSCCCSC(=O)C 62a_100000038929_200000210301 [1,1,0,0,0,0|1,0,0]=3 3622 B8R0.7 CSCCCSC(=O)C 62a_200000210301_100000038929 [1,1,0,0,0,0|1,0,0]=3 3623 B8R0.7 CSCCOCC(=O)C 34a_100000211253_100000212216 [1,1,0,0,0,0|1,0,1]=4 3624 B8R0.7 CSCNCC=C(C)C 34a_100000718196_100011218213 [1,1,0,0,0,0|2,0,0]=4 3625 B8R0.7 CSCOCC=C(C)C 34a_100000753907_100011218213 [1,1,0,0,0,0|2,0,0]=4 3626 B8R0.7 CSCOCCC(=O)C 34a_100000759926_100011218213 [1,1,0,0,0,0|1,0,1]=4 3627 B8R0.7 CSCSCC=C(C)C 62a_100000761012_100011218213 [1,1,0,0,0,0|2,0,0]=4 3628 B8R0.7 CSCSCC=C(C)C 62a_100011218213_100000761012 [1,1,0,0,0,0|2,0,0]=4 3629 B8R0.7 CSCSCCC(=O)C 62a_100000053229_100011218213 [1,1,0,0,0,0|1,0,1]=4 3630 B8R0.7 CSCSCCC(=O)C 62a_100011218213_100000053229 [1,1,0,0,0,0|1,0,1]=4 3631 B8R0.7 CSCSCOC(=O)C 62a_100000076356_100011218213 [1,1,0,0,0,0|2,0,0]=4 3632 B8R0.7 CSCSCOC(=O)C 62a_100011218213_100000076356 [1,1,0,0,0,0|2,0,0]=4 3633 B8R0.7 [13CH3]C(=O)CCCCCO 1458a_100102619762_200025704644 [1,1,0,0,0,0|0,0,1]=3 3634 B8R0.7 [13CH3]C(=O)CCOCCO 1458a_100011229844_200025704644 [1,1,0,0,0,0|1,0,1]=4 3635 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,1]=4 3636 B8R0.7 [13CH3]OCCCCC(=O)N 34a_100012022536_200025704644 [1,1,0,0,0,0|1,0,1]=4 3637 B8R0.7 [13CH3]OCCCCC(=O)N 7a_100012022536_200025704644 [1,1,0,0,0,0|1,0,1]=4 3638 B8R0.21 CCCCNS(=O)(=O)C 40a_100000102301_100000738038 [1,1,0,0,0,0|2,0,0]=4 3639 B8R0.28 CC(=CCCN(C)C)C 2230a_100102631434_100011217483 [1,1,0,0,0,0|2,0,0]=4 3640 B8R0.28 CC(=CCCN(C)C)C 269982a_100102631434_100011217483 [1,1,0,0,0,0|2,0,0]=4 3641 B8R0.28 CC(=CCNC(C)C)C 2230a_100138425928_100000761012 [1,1,0,0,0,0|2,0,0]=4 3642 B8R0.28 CC(=CCNC(C)C)C 34a_100000718196_100000210206 [1,1,0,0,0,0|2,0,0]=4 3643 B8R0.28 CC(=CCNC(C)C)C 34a_100138425928_100000761012 [1,1,0,0,0,0|2,0,0]=4 3644 B8R0.28 CC(=CCOC(C)C)C 34a_100000212225_100000761012 [1,1,0,0,0,0|2,0,0]=4 3645 B8R0.28 CC(=CCOC(C)C)C 34a_100000753907_100000210206 [1,1,0,0,0,0|2,0,0]=4 3646 B8R0.28 CC(=CCSC(C)C)C 62a_100000210206_100000761012 [1,1,0,0,0,0|2,0,0]=4 3647 B8R0.28 CC(=CCSC(C)C)C 62a_100000761012_100000210206 [1,1,0,0,0,0|2,0,0]=4 3648 B8R0.28 CC(=O)C=CCN(C)C 1458a_100000754359_200000210301 [1,1,0,0,0,0|1,0,1]=4 3649 B8R0.28 CC(=O)CCC=C(C)C 1458a_100000070787_100011217483 [1,1,0,0,0,0|1,0,1]=4 3650 B8R0.28 CC(=O)CCCC(=O)C 1458a_100000070787_100011215641 [1,1,0,0,0,0|0,0,2]=4 3651 B8R0.28 CC(=O)CCCC(C)C 1458a_100000070787_100011214892 [1,1,0,0,0,0|0,0,1]=3 3652 B8R0.28 CC(=O)CCCC(C)C 1458a_100011216857_200000210301 [1,1,0,0,0,0|0,0,1]=3 3653 B8R0.28 CC(=O)CCCC(C)O 1458a_100000070787_200000718107 [1,1,0,0,0,0|0,0,1]=3 3654 B8R0.28 CC(=O)CCCN(C)C 1458a_100000070787_100000695564 [1,1,0,0,0,0|1,0,1]=4 3655 B8R0.28 CC(=O)CCCN(C)C 269982a_100102631434_100011215641 [1,1,0,0,0,0|1,0,1]=4 3656 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000070787_100000189650 [1,1,0,0,0,0|1,0,1]=4 3657 B8R0.28 CC(=O)CCNC(=O)C 1458a_100000183196_200000210301 [1,1,0,0,0,0|1,0,1]=4 3658 B8R0.28 CC(=O)CCOC(=O)C 1458a_100000070787_100009814007 [1,1,0,0,0,0|1,0,1]=4 3659 B8R0.28 CC(=O)CCOC(C)C 1458a_100000070787_100000211751 [1,1,0,0,0,0|1,0,1]=4 3660 B8R0.28 CC(=O)CCOC(C)C 34a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 3661 B8R0.28 CC(=O)CCOC(C)C 7a_100000759926_100000210206 [1,1,0,0,0,0|1,0,1]=4 3662 B8R0.28 CC(=O)CCSC(=O)C 1458a_100000048949_200000210301 [1,1,0,0,0,0|1,0,1]=4 3663 B8R0.28 CC(=O)CCSC(C)C 1458a_100000070787_100000730970 [1,1,0,0,0,0|1,0,1]=4 3664 B8R0.28 CC(=O)CCSC(C)C 62a_100000053229_100000210206 [1,1,0,0,0,0|1,0,1]=4 3665 B8R0.28 CC(=O)CCSC(C)C 62a_100000210206_100000053229 [1,1,0,0,0,0|1,0,1]=4 3666 B8R0.28 CC(=O)COCC(C)C 1458a_100011223364_200000210301 [1,1,0,0,0,0|1,0,1]=4 3667 B8R0.28 CC(=O)COCC(C)C 34a_100000211253_100000210624 [1,1,0,0,0,0|1,0,1]=4 3668 B8R0.28 CC(=O)COCC(C)O 34a_100000211253_100011218427 [1,1,0,0,0,0|1,0,1]=4 3669 B8R0.28 CC(=O)COC[C@@H](C)O 34a_100000211253_100009817552 [1,1,0,0,0,0|1,0,1]=4 3670 B8R0.28 CC(=O)NCCC(=O)[13CH3] 1458a_100000183196_200025704644 [1,1,0,0,0,0|1,0,1]=4 3671 B8R0.28 CC(=O)NCCC(C)C 11a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3672 B8R0.28 CC(=O)NCCC(C)C 1626a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3673 B8R0.28 CC(=O)NCCC(C)C 240690a_100000210545_100015343762 [1,1,0,0,0,0|1,0,0]=3 3674 B8R0.28 CC(=O)NCCC(C)C 527a_100000210545_100103153847 [1,1,0,0,0,0|1,0,0]=3 3675 B8R0.28 CC(=O)NCCC(C)O 240690a_200000755665_100015343762 [1,1,0,0,0,0|1,0,0]=3 3676 B8R0.28 CC(=O)NCCC(C)O 527a_200000755665_100103153847 [1,1,0,0,0,0|1,0,0]=3 3677 B8R0.28 CC(=O)NCCN(C)C 2230a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 3678 B8R0.28 CC(=O)NCCN(C)C 240690a_100000210585_100015343762 [1,1,0,0,0,0|2,0,0]=4 3679 B8R0.28 CC(=O)NCCN(C)C 269982a_100102631434_100000189650 [1,1,0,0,0,0|2,0,0]=4 3680 B8R0.28 CC(=O)NCCN(C)C 527a_100000210585_100103153847 [1,1,0,0,0,0|2,0,0]=4 3681 B8R0.28 CC(=O)NNCC(C)C 22a_100000696102_100000070787 [1,1,0,0,0,0|2,0,0]=4 3682 B8R0.28 CC(=O)NNCC(C)O 22a_200000730056_100000070787 [1,1,0,0,0,0|2,0,0]=4 3683 B8R0.28 CC(=O)OCCN(C)C 269982a_100102631434_100009814007 [1,1,0,0,0,0|2,0,0]=4 3684 B8R0.28 CC(=O)OCNC(C)C 34a_100138425928_100009813279 [1,1,0,0,0,0|2,0,0]=4 3685 B8R0.28 CC(=O)OCOC(C)C 34a_100000212225_100009813279 [1,1,0,0,0,0|2,0,0]=4 3686 B8R0.28 CC(=O)OCSC(C)C 62a_100000076356_100000210206 [1,1,0,0,0,0|2,0,0]=4 3687 B8R0.28 CC(=O)OCSC(C)C 62a_100000210206_100000076356 [1,1,0,0,0,0|2,0,0]=4 3688 B8R0.28 CC(=O)SCCC(=O)[13CH3] 1458a_100000048949_200025704644 [1,1,0,0,0,0|1,0,1]=4 3689 B8R0.28 CC(C)CCCC(=O)[13CH3] 1458a_100011216857_200025704644 [1,1,0,0,0,0|0,0,1]=3 3690 B8R0.28 CC(C)COCC(=O)[13CH3] 1458a_100011223364_200025704644 [1,1,0,0,0,0|1,0,1]=4 3691 B8R0.28 CN(C)CC=CC(=O)[13CH3] 1458a_100000754359_200025704644 [1,1,0,0,0,0|1,0,1]=4 3692 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,1,0,0,0,0|1,0,0]=3 3693 B8R0.2 C=C(C)C(=O)N(C)CC 11a_100000225621_100000185857 [1,1,0,0,0,0|2,0,0]=4 3694 B8R0.2 C=C(C)C(=O)N(C)CC 1626a_100000225621_100000185857 [1,1,0,0,0,0|2,0,0]=4 3695 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100000210198_100000758301 [1,1,0,0,0,0|1,0,1]=4 3696 B8R0.2 CCC(C)C(=O)C(C)C 1458a_100011192722_100000210206 [1,1,0,0,0,0|1,0,1]=4 3697 B8R0.2 CCC(C)C(=O)C(C)F 1458a_100000062450_100000758301 [1,1,0,0,0,0|1,0,1]=4 3698 B8R0.2 CCC(C)C(=O)N(C)C 11a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 3699 B8R0.2 CCC(C)C(=O)N(C)C 1626a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 3700 B8R0.2 CCC(C)C(=O)N(C)C 240690a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 3701 B8R0.2 CCC(C)C(=O)N(C)C 527a_100102631434_100011192722 [1,1,0,0,0,0|2,0,0]=4 3702 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|0,0,2]=4 3703 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|0,0,2]=4 3704 B8R0.2 CCC(C)N(C)C(=O)C 11a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 3705 B8R0.2 CCC(C)N(C)C(=O)C 1626a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 3706 B8R0.2 CCC(C)N(C)C(=O)C 240690a_100000741768_100015343762 [1,1,0,0,0,0|2,0,0]=4 3707 B8R0.2 CCC(C)N(C)C(=O)C 527a_100000741768_100103153847 [1,1,0,0,0,0|2,0,0]=4 3708 B8R0.2 CCC(O)C(=O)C(C)C 1458a_100011196387_100000210206 [1,1,0,0,0,0|1,0,1]=4 3709 B8R0.2 CCC(O)C(=O)N(C)C 240690a_100102631434_100011196387 [1,1,0,0,0,0|2,0,0]=4 3710 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [1,1,0,0,0,0|2,0,0]=4 3711 B8R0.12 CCCC(C)(C)C(=O)C 1458a_100011215034_200000210301 [1,1,0,0,0,0|1,0,1]=4 3712 B8R0.12 CCCC(C)(C)C(=O)[13CH3] 1458a_100011215034_200025704644 [1,1,0,0,0,0|1,0,1]=4 3713 B8R0.14 CCCC(=O)C(C)(C)C 1458a_106744555173_100000210303 [1,1,0,0,0,0|1,0,1]=4 3714 B8R0.14 CCCC(=O)C(C)(C)F 1458a_100000765255_100000210303 [1,1,0,0,0,0|1,0,1]=4 3715 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|0,0,2]=4 3716 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,1,0,0,0,0|1,0,1]=4 3717 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,1,0,0,0,0|1,0,1]=4 3718 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,1,0,0,0,0|1,0,1]=4 3719 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 3720 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 3721 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,1,0,0,0,0|2,0,0]=4 3722 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,1,0,0,0,0|2,0,0]=4 3723 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|1,0,0]=3 3724 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|1,0,0]=3 3725 B8R0.23 C=C(C)C(=O)CC(F)F 1458a_100000185857_100011934356 [1,1,0,0,0,0|2,0,0]=4 3726 B8R0.23 C=C(C)C(=O)NC(C)C 11a_100138425928_100000185857 [1,1,0,0,0,0|2,0,0]=4 3727 B8R0.23 C=C(C)C(=O)NC(C)C 1626a_100138425928_100000185857 [1,1,0,0,0,0|2,0,0]=4 3728 B8R0.23 C=C(C)CC(=O)C(=C)C 1458a_100000185857_100000748629 [1,1,0,0,0,0|1,0,1]=4 3729 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [1,1,0,0,0,0|1,0,0]=3 3730 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [1,1,0,0,0,0|1,0,0]=3 3731 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,1,0,0,0,0|1,0,1]=4 3732 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|0,0,1]=3 3733 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 3734 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 3735 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [1,1,0,0,0,0|2,0,0]=4 3736 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [1,1,0,0,0,0|2,0,0]=4 3737 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [1,1,0,0,0,0|2,0,0]=4 3738 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [1,1,0,0,0,0|2,0,0]=4 3739 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,1,0,0,0,0|0,0,2]=4 3740 B8R0.23 CC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000210206 [1,1,0,0,0,0|1,0,1]=4 3741 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210198_100000210624 [1,1,0,0,0,0|1,0,1]=4 3742 B8R0.23 CC(C)CC(=O)C(C)C 1458a_100000210554_100000210206 [1,1,0,0,0,0|1,0,1]=4 3743 B8R0.23 CC(C)CC(=O)C(C)F 1458a_100000062450_100000210624 [1,1,0,0,0,0|1,0,1]=4 3744 B8R0.23 CC(C)CC(=O)N(C)C 11a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 3745 B8R0.23 CC(C)CC(=O)N(C)C 1626a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 3746 B8R0.23 CC(C)CC(=O)N(C)C 240690a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 3747 B8R0.23 CC(C)CC(=O)N(C)C 527a_100102631434_100000210554 [1,1,0,0,0,0|2,0,0]=4 3748 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|0,0,2]=4 3749 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|0,0,2]=4 3750 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,1,0,0,0,0|0,0,2]=4 3751 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [1,1,0,0,0,0|2,0,0]=4 3752 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [1,1,0,0,0,0|1,0,0]=3 3753 B8R0.23 CC(O)CC(=O)C(C)C 1458a_100000210198_100011218427 [1,1,0,0,0,0|1,0,1]=4 3754 B8R0.23 CC(O)CC(=O)C(C)F 1458a_100000062450_100011218427 [1,1,0,0,0,0|1,0,1]=4 3755 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|0,0,2]=4 3756 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|0,0,2]=4 3757 B8R0.23 C[C@@H](O)CC(=O)N(C)C 240690a_100102631434_100011933948 [1,1,0,0,0,0|2,0,0]=4 3758 B10R0.6 C#CCCCC(=O)C=C(C)C 1458a_100000211388_100000731252 [0,1,0,0,0,1|1,0,1]=4 3759 B10R0.6 C#CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000731252 [0,1,0,0,0,1|1,0,1]=4 3760 B10R0.6 C#CCCCC(=O)C=C(C)I 1458a_100025716642_100000731252 [0,1,0,0,0,1|1,0,1]=4 3761 B10R0.6 C#CCCCC(=O)CC(=C)C 1458a_100000690238_100000748629 [0,1,0,0,0,1|1,0,1]=4 3762 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100000690238_100000187820 [0,1,0,0,0,1|1,0,1]=4 3763 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100134613110_100000731252 [0,1,0,0,0,1|1,0,1]=4 3764 B10R0.6 C#CCCCC(=O)CC(=O)[O-] 1458a_100000690238_100020667443 [0,1,0,0,0,1|1,0,1]=4 3765 B10R0.6 C#CCSCC(=O)NC(=O)C 62a_100000038162_100000183797 [0,1,0,0,0,1|0,0,2]=4 3766 B10R0.6 C=C(C)CC(=O)C#CCCC 1458a_200011218047_100000748629 [0,1,0,0,0,1|1,0,1]=4 3767 B10R0.6 C=C(C)CC(=O)C/C=C/CC 1458a_100016274230_100000748629 [0,1,0,0,0,1|1,0,1]=4 3768 B10R0.6 C=C(C)CC(=O)C=CCCC 1458a_100000212230_100000748629 [0,1,0,0,0,1|1,0,1]=4 3769 B10R0.6 C=C(C)CC(=O)CCCC#N 1458a_100000075515_100000748629 [0,1,0,0,0,1|1,0,1]=4 3770 B10R0.6 C=C(C)CC(=O)CCCCC 1458a_100000212188_100000748629 [0,1,0,0,0,1|1,0,0]=3 3771 B10R0.6 C=C(C)CC(=O)CCCCO 1458a_100000695505_100000748629 [0,1,0,0,0,1|1,0,0]=3 3772 B10R0.6 C=C(C)CC(=O)CCCOC 1458a_100000741012_100000748629 [0,1,0,0,0,1|1,0,0]=3 3773 B10R0.6 C=C(C)CC(=O)CCCSC 1458a_100000173376_100000748629 [0,1,0,0,0,1|1,0,0]=3 3774 B10R0.6 C=C(C)CC(=O)CCOCC 1458a_100000749530_100000748629 [0,1,0,0,0,1|1,0,0]=3 3775 B10R0.6 C=C(C)CC(=O)CCSCC 1458a_100000230768_100000748629 [0,1,0,0,0,1|1,0,0]=3 3776 B10R0.6 C=C(C)CC(=O)COCCC 1458a_100000745993_100000748629 [0,1,0,0,0,1|1,0,0]=3 3777 B10R0.6 C=C(C)CC(=O)COCCO 1458a_100000708028_100000748629 [0,1,0,0,0,1|2,0,0]=4 3778 B10R0.6 C=C(C)CC(=O)CSCCC 1458a_100000217233_100000748629 [0,1,0,0,0,1|1,0,0]=3 3779 B10R0.6 C=C(F)CC(=O)CCCCC 1458a_100000212188_100009893438 [0,1,0,0,0,1|1,0,1]=4 3780 B10R0.6 C=C(F)CC(=O)CCCCO 1458a_100000695505_100009893438 [0,1,0,0,0,1|1,0,1]=4 3781 B10R0.6 C=C(F)CC(=O)CCCOC 1458a_100000741012_100009893438 [0,1,0,0,0,1|1,0,1]=4 3782 B10R0.6 C=C(F)CC(=O)CCCSC 1458a_100000173376_100009893438 [0,1,0,0,0,1|1,0,1]=4 3783 B10R0.6 C=C(F)CC(=O)CCOCC 1458a_100000749530_100009893438 [0,1,0,0,0,1|1,0,1]=4 3784 B10R0.6 C=C(F)CC(=O)CCSCC 1458a_100000230768_100009893438 [0,1,0,0,0,1|1,0,1]=4 3785 B10R0.6 C=C(F)CC(=O)COCCC 1458a_100000745993_100009893438 [0,1,0,0,0,1|1,0,1]=4 3786 B10R0.6 C=C(F)CC(=O)CSCCC 1458a_100000217233_100009893438 [0,1,0,0,0,1|1,0,1]=4 3787 B10R0.6 C=CCCCC(=O)C=C(C)C 1458a_100000211388_100000757094 [0,1,0,0,0,1|1,0,1]=4 3788 B10R0.6 C=CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000757094 [0,1,0,0,0,1|1,0,1]=4 3789 B10R0.6 C=CCCCC(=O)C=C(C)I 1458a_100025716642_100000757094 [0,1,0,0,0,1|1,0,1]=4 3790 B10R0.6 C=CCCCC(=O)CC(=C)C 1458a_100000766728_100000748629 [0,1,0,0,0,1|1,0,1]=4 3791 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,1,0,0,0,1|1,0,1]=4 3792 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,1,0,0,0,1|1,0,1]=4 3793 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,1,0,0,0,1|1,0,1]=4 3794 B10R0.6 C=CCSCC(=O)NC(=O)C 62a_100000210623_100000183797 [0,1,0,0,0,1|0,0,2]=4 3795 B10R0.6 CC(=CC(=O)CCCC#N)C 1458a_100000211388_100000211468 [0,1,0,0,0,1|1,0,1]=4 3796 B10R0.6 CC(=CC(=O)CCCC#N)Cl 1458a_200042562850_100000211468 [0,1,0,0,0,1|1,0,1]=4 3797 B10R0.6 CC(=CC(=O)CCCC#N)I 1458a_100025716642_100000211468 [0,1,0,0,0,1|1,0,1]=4 3798 B10R0.6 CC(=CC(=O)CCCCF)C 1458a_100000211388_100000729493 [0,1,0,0,0,1|1,0,0]=3 3799 B10R0.6 CC(=CC(=O)CCCCF)Cl 1458a_200042562850_100000729493 [0,1,0,0,0,1|1,0,0]=3 3800 B10R0.6 CC(=CC(=O)CCCCF)I 1458a_100025716642_100000729493 [0,1,0,0,0,1|1,0,0]=3 3801 B10R0.6 CC(=CC(=O)CCCCO)C 1458a_100000211388_100000210776 [0,1,0,0,0,1|1,0,0]=3 3802 B10R0.6 CC(=CC(=O)CCCCO)Cl 1458a_200042562850_100000210776 [0,1,0,0,0,1|1,0,0]=3 3803 B10R0.6 CC(=CC(=O)CCCCO)I 1458a_100025716642_100000210776 [0,1,0,0,0,1|1,0,0]=3 3804 B10R0.6 CC(=CC(=O)NCCCF)C 11a_100015189416_100000211388 [0,1,0,0,0,1|2,0,0]=4 3805 B10R0.6 CC(=CC(=O)NCCCF)C 1626a_100015189416_100000211388 [0,1,0,0,0,1|2,0,0]=4 3806 B10R0.6 CC(=CC(=O)NCCCF)C 240690a_100015189416_100000211388 [0,1,0,0,0,1|2,0,0]=4 3807 B10R0.6 CC(=CC(=O)NCCCF)Cl 11a_100015189416_200042562850 [0,1,0,0,0,1|2,0,0]=4 3808 B10R0.6 CC(=CC(=O)NCCCF)Cl 1626a_100015189416_200042562850 [0,1,0,0,0,1|2,0,0]=4 3809 B10R0.6 CC(=CC(=O)NCCCF)Cl 240690a_100015189416_200042562850 [0,1,0,0,0,1|2,0,0]=4 3810 B10R0.6 CC(=CC(=O)NCCCF)I 11a_100015189416_100025716642 [0,1,0,0,0,1|2,0,0]=4 3811 B10R0.6 CC(=CC(=O)NCCCF)I 1626a_100015189416_100025716642 [0,1,0,0,0,1|2,0,0]=4 3812 B10R0.6 CC(=CC(=O)NCCCO)C 240690a_100000182051_100000211388 [0,1,0,0,0,1|2,0,0]=4 3813 B10R0.6 CC(=CC(=O)NCCCO)Cl 240690a_100000182051_200042562850 [0,1,0,0,0,1|2,0,0]=4 3814 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_100000102702_200025704644 [0,1,0,0,0,1|1,0,0]=3 3815 B10R0.6 CC(=O)CC(=O)OCCS[13CH3] 62a_200025704644_100000102702 [0,1,0,0,0,1|1,0,0]=3 3816 B10R0.6 CC(=O)NC(=O)CSCC#N 62a_100011215382_100000183797 [0,1,0,0,0,1|1,0,1]=4 3817 B10R0.6 CC(=O)NC(=O)CSCC=O 62a_200015260668_100000183797 [0,1,0,0,0,1|1,0,1]=4 3818 B10R0.6 CC(=O)NC(=O)CSCCF 62a_100011217306_100000183797 [0,1,0,0,0,1|1,0,0]=3 3819 B10R0.6 CC(=O)NC(=O)CSCCO 62a_100000211926_100000183797 [0,1,0,0,0,1|1,0,0]=3 3820 B10R0.6 CC(C)CC(=O)CCCCF 1458a_100000210554_100000729493 [0,1,0,0,0,1|1,0,1]=4 3821 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000210554_100000210776 [0,1,0,0,0,1|1,0,1]=4 3822 B10R0.6 CC(C)CC(=O)CCCCO 1458a_100000695505_100000210624 [0,1,0,0,0,1|1,0,1]=4 3823 B10R0.6 CC(C)NC(=O)CCCCO 1626a_100138425928_100000695505 [0,1,0,0,0,1|1,0,1]=4 3824 B10R0.6 CC(O)CC(=O)CCCCO 1458a_100000695505_100011218427 [0,1,0,0,0,1|0,0,2]=4 3825 B10R0.6 CC/C=C/CC(=O)CC(=O)N 1458a_100016274230_100000187820 [0,1,0,0,0,1|1,0,1]=4 3826 B10R0.6 CC/C=C/CC(=O)CC(=O)[O-] 1458a_100016274230_100020667443 [0,1,0,0,0,1|1,0,1]=4 3827 B10R0.6 CC/C=C\CC(=O)C=C(C)C 1458a_100000211388_100103147603 [0,1,0,0,0,1|1,0,1]=4 3828 B10R0.6 CC/C=C\CC(=O)C=C(C)Cl 1458a_200042562850_100103147603 [0,1,0,0,0,1|1,0,1]=4 3829 B10R0.6 CC/C=C\CC(=O)C=C(C)I 1458a_100025716642_100103147603 [0,1,0,0,0,1|1,0,1]=4 3830 B10R0.6 CC/C=C\CC(=O)CC(=O)N 1458a_100134613110_100103147603 [0,1,0,0,0,1|1,0,1]=4 3831 B10R0.6 CCC#CCC(=O)C=C(C)C 1458a_100000211388_100009813939 [0,1,0,0,0,1|1,0,1]=4 3832 B10R0.6 CCC#CCC(=O)C=C(C)Cl 1458a_200042562850_100009813939 [0,1,0,0,0,1|1,0,1]=4 3833 B10R0.6 CCC#CCC(=O)C=C(C)I 1458a_100025716642_100009813939 [0,1,0,0,0,1|1,0,1]=4 3834 B10R0.6 CCC#CCC(=O)CC(=O)N 1458a_100134613110_100009813939 [0,1,0,0,0,1|1,0,1]=4 3835 B10R0.6 CCCC#CC(=O)CC(=O)N 1458a_200011218047_100000187820 [0,1,0,0,0,1|1,0,1]=4 3836 B10R0.6 CCCC#CC(=O)CC(=O)[O-] 1458a_200011218047_100020667443 [0,1,0,0,0,1|1,0,1]=4 3837 B10R0.6 CCCC=CC(=O)CC(=O)N 1458a_100000212230_100000187820 [0,1,0,0,0,1|1,0,1]=4 3838 B10R0.6 CCCC=CC(=O)CC(=O)[O-] 1458a_100000212230_100020667443 [0,1,0,0,0,1|1,0,1]=4 3839 B10R0.6 CCCCCC(=O)C=C(C)C 1458a_100000211388_100000210326 [0,1,0,0,0,1|1,0,0]=3 3840 B10R0.6 CCCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210326 [0,1,0,0,0,1|1,0,0]=3 3841 B10R0.6 CCCCCC(=O)C=C(C)I 1458a_100025716642_100000210326 [0,1,0,0,0,1|1,0,0]=3 3842 B10R0.6 CCCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210326 [0,1,0,0,0,1|2,0,0]=4 3843 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,1|0,0,0]=2 3844 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,1|1,0,0]=3 3845 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,1|1,0,0]=3 3846 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,1|1,0,0]=3 3847 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000210554_100000210326 [0,1,0,0,0,1|1,0,1]=4 3848 B10R0.6 CCCCCC(=O)CC(C)C 1458a_100000212188_100000210624 [0,1,0,0,0,1|1,0,1]=4 3849 B10R0.6 CCCCCC(=O)CC(C)O 1458a_100000212188_100011218427 [0,1,0,0,0,1|0,0,2]=4 3850 B10R0.6 CCCCCC(=O)CN(C)C 1458a_100000750896_100000210326 [0,1,0,0,0,1|2,0,0]=4 3851 B10R0.6 CCCCCC(=O)CN(C)C 2230a_100102631434_200012276598 [0,1,0,0,0,1|2,0,0]=4 3852 B10R0.6 CCCCCC(=O)CN(C)C 269982a_100102631434_200012276598 [0,1,0,0,0,1|2,0,0]=4 3853 B10R0.6 CCCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210326 [0,1,0,0,0,1|0,0,2]=4 3854 B10R0.6 CCCCCC(=O)C[N+](=O)[O-] 1458a_100000212188_100000761209 [0,1,0,0,0,1|2,0,0]=4 3855 B10R0.6 CCCCCC(=O)C[S+](C)C 1458a_200159257847_100000210326 [0,1,0,0,0,1|2,0,0]=4 3856 B10R0.6 CCCCCC(=O)NC(C)C 11a_100138425928_100000212188 [0,1,0,0,0,1|1,0,1]=4 3857 B10R0.6 CCCCCC(=O)NC(C)C 1626a_100138425928_100000212188 [0,1,0,0,0,1|1,0,1]=4 3858 B10R0.6 CCCCCC(=O)NC(C)C 240690a_100138425928_100000212188 [0,1,0,0,0,1|1,0,1]=4 3859 B10R0.6 CCCCCC(=O)NC(C)C 527a_100138425928_100000212188 [0,1,0,0,0,1|1,0,1]=4 3860 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [0,1,0,0,0,1|1,0,1]=4 3861 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [0,1,0,0,0,1|1,0,1]=4 3862 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [0,1,0,0,0,1|1,0,1]=4 3863 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [0,1,0,0,0,1|1,0,1]=4 3864 B10R0.6 CCCCNC(=O)C=C(C)C 11a_100000102301_100000211388 [0,1,0,0,0,1|1,0,0]=3 3865 B10R0.6 CCCCNC(=O)C=C(C)C 1626a_100000102301_100000211388 [0,1,0,0,0,1|1,0,0]=3 3866 B10R0.6 CCCCNC(=O)C=C(C)C 240690a_100000102301_100000211388 [0,1,0,0,0,1|1,0,0]=3 3867 B10R0.6 CCCCNC(=O)C=C(C)Cl 11a_100000102301_200042562850 [0,1,0,0,0,1|1,0,0]=3 3868 B10R0.6 CCCCNC(=O)C=C(C)Cl 1626a_100000102301_200042562850 [0,1,0,0,0,1|1,0,0]=3 3869 B10R0.6 CCCCNC(=O)C=C(C)Cl 240690a_100000102301_200042562850 [0,1,0,0,0,1|1,0,0]=3 3870 B10R0.6 CCCCNC(=O)C=C(C)I 11a_100000102301_100025716642 [0,1,0,0,0,1|1,0,0]=3 3871 B10R0.6 CCCCNC(=O)C=C(C)I 1626a_100000102301_100025716642 [0,1,0,0,0,1|1,0,0]=3 3872 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 1626a_100000102301_100000137448 [0,1,0,0,0,1|2,0,0]=4 3873 B10R0.6 CCCCNC(=O)C=C(Cl)Cl 240690a_100000102301_100000137448 [0,1,0,0,0,1|2,0,0]=4 3874 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,1|0,0,0]=2 3875 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,1,0,0,0,1|1,0,0]=3 3876 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,1,0,0,0,1|1,0,0]=3 3877 B10R0.6 CCCCNC(=O)CC(C)C 11a_100000102301_100000210554 [0,1,0,0,0,1|1,0,1]=4 3878 B10R0.6 CCCCNC(=O)CC(C)C 1626a_100000102301_100000210554 [0,1,0,0,0,1|1,0,1]=4 3879 B10R0.6 CCCCNC(=O)CC(C)C 240690a_100000102301_100000210554 [0,1,0,0,0,1|1,0,1]=4 3880 B10R0.6 CCCCNC(=O)CC(C)C 527a_100000102301_100000210554 [0,1,0,0,0,1|1,0,1]=4 3881 B10R0.6 CCCCNC(=O)CN(C)C 11a_100000102301_100000750896 [0,1,0,0,0,1|2,0,0]=4 3882 B10R0.6 CCCCNC(=O)CN(C)C 2230a_100102631434_100000182744 [0,1,0,0,0,1|2,0,0]=4 3883 B10R0.6 CCCCNC(=O)CN(C)C 2230a_200000213093_200000210301 [0,1,0,0,0,1|2,0,0]=4 3884 B10R0.6 CCCCNC(=O)CN(C)C 240690a_100000102301_100000750896 [0,1,0,0,0,1|2,0,0]=4 3885 B10R0.6 CCCCNC(=O)CN(C)C 269982a_100102631434_100000182744 [0,1,0,0,0,1|2,0,0]=4 3886 B10R0.6 CCCCNC(=O)CN(C)C 269982a_200000213093_200000210301 [0,1,0,0,0,1|2,0,0]=4 3887 B10R0.6 CCCCNC(=O)CN(C)C 527a_100000102301_100000750896 [0,1,0,0,0,1|2,0,0]=4 3888 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 2230a_200000213093_200025704644 [0,1,0,0,0,1|2,0,0]=4 3889 B10R0.6 CCCCNC(=O)CN(C)[13CH3] 269982a_200000213093_200025704644 [0,1,0,0,0,1|2,0,0]=4 3890 B10R0.6 CCCCNC(=O)C[C@@H](C)O 240690a_100000102301_100011933948 [0,1,0,0,0,1|0,0,2]=4 3891 B10R0.6 CCCCNC(=O)C[S+](C)C 11a_100000102301_200159257847 [0,1,0,0,0,1|2,0,0]=4 3892 B10R0.6 CCCCNC(=O)C[S+](C)C 1626a_100000102301_200159257847 [0,1,0,0,0,1|2,0,0]=4 3893 B10R0.6 CCCCNC(=O)C[S+](C)C 240690a_100000102301_200159257847 [0,1,0,0,0,1|2,0,0]=4 3894 B10R0.6 CCCCNC(=O)C[S+](C)C 527a_100000102301_200159257847 [0,1,0,0,0,1|2,0,0]=4 3895 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100000102301_100138425928 [0,1,0,0,0,1|1,0,1]=4 3896 B10R0.6 CCCCNC(=O)NC(C)C 2708a_100138425928_100000102301 [0,1,0,0,0,1|1,0,1]=4 3897 B10R0.6 CCCCNC(=O)NC(C)C 273464a_100138425928_100000102301 [0,1,0,0,0,1|1,0,1]=4 3898 B10R0.6 CCCCNC(=O)NC(C)C 512a_100000102301_100138425928 [0,1,0,0,0,1|1,0,1]=4 3899 B10R0.6 CCCCNC(=O)NC(C)C 512a_100138425928_100000102301 [0,1,0,0,0,1|1,0,1]=4 3900 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,1|0,0,0]=2 3901 B10R0.6 CCCCOC(=O)CN(C)C 2230a_100102631434_100000211628 [0,1,0,0,0,1|2,0,0]=4 3902 B10R0.6 CCCCOC(=O)CN(C)C 269982a_100102631434_100000211628 [0,1,0,0,0,1|2,0,0]=4 3903 B10R0.6 CCCCSC(C)OC(=O)C 62a_100000210211_100009818208 [0,1,0,0,0,1|1,0,1]=4 3904 B10R0.6 CCCCSC(C)OC(=O)C 62a_100009818208_100000210210 [0,1,0,0,0,1|1,0,1]=4 3905 B10R0.6 CCCNCC(=O)NC(C)C 2230a_100000168517_100000210303 [0,1,0,0,0,1|1,0,1]=4 3906 B10R0.6 CCCNNC(=O)C=C(C)C 22a_100000740057_100000211388 [0,1,0,0,0,1|2,0,0]=4 3907 B10R0.6 CCCNNC(=O)C=C(C)Cl 22a_100000740057_200042562850 [0,1,0,0,0,1|2,0,0]=4 3908 B10R0.6 CCCNNC(=O)CC(=O)N 22a_100000740057_100134613110 [0,1,0,0,0,1|2,0,0]=4 3909 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,1,0,0,0,1|1,0,0]=3 3910 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,1,0,0,0,1|1,0,0]=3 3911 B10R0.6 CCCOCC(=O)CC(C)C 1458a_100000745993_100000210624 [0,1,0,0,0,1|1,0,1]=4 3912 B10R0.6 CCCOCC(=O)CC(C)O 1458a_100000745993_100011218427 [0,1,0,0,0,1|0,0,2]=4 3913 B10R0.6 CCCOCC(=O)C[N+](=O)[O-] 1458a_100000745993_100000761209 [0,1,0,0,0,1|2,0,0]=4 3914 B10R0.6 CCCOCC(=O)NC(C)C 11a_100138425928_100000745993 [0,1,0,0,0,1|1,0,1]=4 3915 B10R0.6 CCCOCC(=O)NC(C)C 1626a_100138425928_100000745993 [0,1,0,0,0,1|1,0,1]=4 3916 B10R0.6 CCCOCC(=O)NC(C)C 240690a_100138425928_100000745993 [0,1,0,0,0,1|1,0,1]=4 3917 B10R0.6 CCCOCC(=O)NC(C)C 34a_100000210258_100000183996 [0,1,0,0,0,1|1,0,1]=4 3918 B10R0.6 CCCOCC(=O)NC(C)C 527a_100138425928_100000745993 [0,1,0,0,0,1|1,0,1]=4 3919 B10R0.6 CCCOCC(=O)OC(C)C 34a_100000210258_100011215430 [0,1,0,0,0,1|1,0,1]=4 3920 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,1,0,0,0,1|1,0,0]=3 3921 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,1,0,0,0,1|1,0,0]=3 3922 B10R0.6 CCCSCC(=O)CC(C)C 1458a_100000217233_100000210624 [0,1,0,0,0,1|1,0,1]=4 3923 B10R0.6 CCCSCC(=O)CC(C)O 1458a_100000217233_100011218427 [0,1,0,0,0,1|0,0,2]=4 3924 B10R0.6 CCCSCC(=O)C[N+](=O)[O-] 1458a_100000217233_100000761209 [0,1,0,0,0,1|2,0,0]=4 3925 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,1|0,0,0]=2 3926 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,1,0,0,0,1|1,0,0]=3 3927 B10R0.6 CCCSCC(=O)NC(C)C 11a_100138425928_100000217233 [0,1,0,0,0,1|1,0,1]=4 3928 B10R0.6 CCCSCC(=O)NC(C)C 1626a_100138425928_100000217233 [0,1,0,0,0,1|1,0,1]=4 3929 B10R0.6 CCCSCC(=O)NC(C)C 240690a_100138425928_100000217233 [0,1,0,0,0,1|1,0,1]=4 3930 B10R0.6 CCCSCC(=O)NC(C)C 527a_100138425928_100000217233 [0,1,0,0,0,1|1,0,1]=4 3931 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000183996_100000210303 [0,1,0,0,0,1|1,0,1]=4 3932 B10R0.6 CCCSCC(=O)NC(C)C 62a_100000210303_100000183996 [0,1,0,0,0,1|1,0,1]=4 3933 B10R0.6 CCCSCC(=O)OC(C)C 62a_100000210303_100011215430 [0,1,0,0,0,1|1,0,1]=4 3934 B10R0.6 CCCSCC(=O)OC(C)C 62a_100011215430_100000210303 [0,1,0,0,0,1|1,0,1]=4 3935 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,1,0,0,0,1|1,0,0]=3 3936 B10R0.6 CCNCCC(=O)NC(C)C 2230a_100015525214_100000737564 [0,1,0,0,0,1|1,0,1]=4 3937 B10R0.6 CCNCCC(=O)OC(C)C 2230a_100015525214_100000760027 [0,1,0,0,0,1|1,0,1]=4 3938 B10R0.6 CCOCCC(=O)C=C(C)C 1458a_100000211388_100011215890 [0,1,0,0,0,1|1,0,0]=3 3939 B10R0.6 CCOCCC(=O)C=C(C)Cl 1458a_200042562850_100011215890 [0,1,0,0,0,1|1,0,0]=3 3940 B10R0.6 CCOCCC(=O)C=C(C)I 1458a_100025716642_100011215890 [0,1,0,0,0,1|1,0,0]=3 3941 B10R0.6 CCOCCC(=O)C=C(Cl)Cl 1458a_100000137448_100011215890 [0,1,0,0,0,1|2,0,0]=4 3942 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,1,0,0,0,1|1,0,0]=3 3943 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,1,0,0,0,1|1,0,0]=3 3944 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,1,0,0,0,1|1,0,0]=3 3945 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000210554_100011215890 [0,1,0,0,0,1|1,0,1]=4 3946 B10R0.6 CCOCCC(=O)CC(C)C 1458a_100000749530_100000210624 [0,1,0,0,0,1|1,0,1]=4 3947 B10R0.6 CCOCCC(=O)CC(C)O 1458a_100000749530_100011218427 [0,1,0,0,0,1|0,0,2]=4 3948 B10R0.6 CCOCCC(=O)CN(C)C 1458a_100000750896_100011215890 [0,1,0,0,0,1|2,0,0]=4 3949 B10R0.6 CCOCCC(=O)C[C@@H](C)O 1458a_100011933948_100011215890 [0,1,0,0,0,1|0,0,2]=4 3950 B10R0.6 CCOCCC(=O)C[N+](=O)[O-] 1458a_100000749530_100000761209 [0,1,0,0,0,1|2,0,0]=4 3951 B10R0.6 CCOCCC(=O)C[S+](C)C 1458a_200159257847_100011215890 [0,1,0,0,0,1|2,0,0]=4 3952 B10R0.6 CCOCCC(=O)NC(C)C 11a_100138425928_100000749530 [0,1,0,0,0,1|1,0,1]=4 3953 B10R0.6 CCOCCC(=O)NC(C)C 1626a_100138425928_100000749530 [0,1,0,0,0,1|1,0,1]=4 3954 B10R0.6 CCOCCC(=O)NC(C)C 240690a_100138425928_100000749530 [0,1,0,0,0,1|1,0,1]=4 3955 B10R0.6 CCOCCC(=O)NC(C)C 527a_100138425928_100000749530 [0,1,0,0,0,1|1,0,1]=4 3956 B10R0.6 CCSCCC(=O)C=C(C)C 1458a_100000211388_100000757381 [0,1,0,0,0,1|1,0,0]=3 3957 B10R0.6 CCSCCC(=O)C=C(C)Cl 1458a_200042562850_100000757381 [0,1,0,0,0,1|1,0,0]=3 3958 B10R0.6 CCSCCC(=O)C=C(C)I 1458a_100025716642_100000757381 [0,1,0,0,0,1|1,0,0]=3 3959 B10R0.6 CCSCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000757381 [0,1,0,0,0,1|2,0,0]=4 3960 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,1,0,0,0,1|1,0,0]=3 3961 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,1,0,0,0,1|1,0,0]=3 3962 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,1,0,0,0,1|1,0,0]=3 3963 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000210554_100000757381 [0,1,0,0,0,1|1,0,1]=4 3964 B10R0.6 CCSCCC(=O)CC(C)C 1458a_100000230768_100000210624 [0,1,0,0,0,1|1,0,1]=4 3965 B10R0.6 CCSCCC(=O)CC(C)O 1458a_100000230768_100011218427 [0,1,0,0,0,1|0,0,2]=4 3966 B10R0.6 CCSCCC(=O)CN(C)C 1458a_100000750896_100000757381 [0,1,0,0,0,1|2,0,0]=4 3967 B10R0.6 CCSCCC(=O)C[C@@H](C)O 1458a_100011933948_100000757381 [0,1,0,0,0,1|0,0,2]=4 3968 B10R0.6 CCSCCC(=O)C[N+](=O)[O-] 1458a_100000230768_100000761209 [0,1,0,0,0,1|2,0,0]=4 3969 B10R0.6 CCSCCC(=O)C[S+](C)C 1458a_200159257847_100000757381 [0,1,0,0,0,1|2,0,0]=4 3970 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,1,0,0,0,1|1,0,0]=3 3971 B10R0.6 CCSCCC(=O)NC(C)C 11a_100138425928_100000230768 [0,1,0,0,0,1|1,0,1]=4 3972 B10R0.6 CCSCCC(=O)NC(C)C 1626a_100138425928_100000230768 [0,1,0,0,0,1|1,0,1]=4 3973 B10R0.6 CCSCCC(=O)NC(C)C 240690a_100138425928_100000230768 [0,1,0,0,0,1|1,0,1]=4 3974 B10R0.6 CCSCCC(=O)NC(C)C 527a_100138425928_100000230768 [0,1,0,0,0,1|1,0,1]=4 3975 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000210202_100000737564 [0,1,0,0,0,1|1,0,1]=4 3976 B10R0.6 CCSCCC(=O)NC(C)C 62a_100000737564_100000210202 [0,1,0,0,0,1|1,0,1]=4 3977 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000210202_100000760027 [0,1,0,0,0,1|1,0,1]=4 3978 B10R0.6 CCSCCC(=O)OC(C)C 62a_100000760027_100000210202 [0,1,0,0,0,1|1,0,1]=4 3979 B10R0.6 CN(C)CC(=O)CCCCF 1458a_100000750896_100000729493 [0,1,0,0,0,1|2,0,0]=4 3980 B10R0.6 CN(C)CC(=O)CCCCO 1458a_100000750896_100000210776 [0,1,0,0,0,1|2,0,0]=4 3981 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,1,0,0,0,1|1,0,0]=3 3982 B10R0.6 COCCCC(=O)C=C(C)C 1458a_100000211388_100000740836 [0,1,0,0,0,1|1,0,0]=3 3983 B10R0.6 COCCCC(=O)C=C(C)Cl 1458a_200042562850_100000740836 [0,1,0,0,0,1|1,0,0]=3 3984 B10R0.6 COCCCC(=O)C=C(C)I 1458a_100025716642_100000740836 [0,1,0,0,0,1|1,0,0]=3 3985 B10R0.6 COCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000740836 [0,1,0,0,0,1|2,0,0]=4 3986 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,1,0,0,0,1|1,0,0]=3 3987 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,1,0,0,0,1|1,0,0]=3 3988 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,1,0,0,0,1|1,0,0]=3 3989 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000210554_100000740836 [0,1,0,0,0,1|1,0,1]=4 3990 B10R0.6 COCCCC(=O)CC(C)C 1458a_100000741012_100000210624 [0,1,0,0,0,1|1,0,1]=4 3991 B10R0.6 COCCCC(=O)CC(C)O 1458a_100000741012_100011218427 [0,1,0,0,0,1|0,0,2]=4 3992 B10R0.6 COCCCC(=O)CN(C)C 1458a_100000750896_100000740836 [0,1,0,0,0,1|2,0,0]=4 3993 B10R0.6 COCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000740836 [0,1,0,0,0,1|0,0,2]=4 3994 B10R0.6 COCCCC(=O)C[N+](=O)[O-] 1458a_100000741012_100000761209 [0,1,0,0,0,1|2,0,0]=4 3995 B10R0.6 COCCCC(=O)C[S+](C)C 1458a_200159257847_100000740836 [0,1,0,0,0,1|2,0,0]=4 3996 B10R0.6 COCCCC(=O)NC(C)C 11a_100138425928_100000741012 [0,1,0,0,0,1|1,0,1]=4 3997 B10R0.6 COCCCC(=O)NC(C)C 1626a_100138425928_100000741012 [0,1,0,0,0,1|1,0,1]=4 3998 B10R0.6 COCCCC(=O)NC(C)C 240690a_100138425928_100000741012 [0,1,0,0,0,1|1,0,1]=4 3999 B10R0.6 COCCCC(=O)NC(C)C 527a_100138425928_100000741012 [0,1,0,0,0,1|1,0,1]=4 4000 B10R0.6 COCCNC(=O)C=C(C)C 1626a_100000209980_100000211388 [0,1,0,0,0,1|2,0,0]=4 4001 B10R0.6 COCCNC(=O)C=C(C)C 240690a_100000209980_100000211388 [0,1,0,0,0,1|2,0,0]=4 4002 B10R0.6 COCCNC(=O)C=C(C)Cl 1626a_100000209980_200042562850 [0,1,0,0,0,1|2,0,0]=4 4003 B10R0.6 COCCNC(=O)C=C(C)Cl 240690a_100000209980_200042562850 [0,1,0,0,0,1|2,0,0]=4 4004 B10R0.6 COCCNC(=O)C=C(C)I 1626a_100000209980_100025716642 [0,1,0,0,0,1|2,0,0]=4 4005 B10R0.6 COCCNC(=O)CC(=O)C 1458a_100000070787_100000183275 [0,1,0,0,0,1|1,0,0]=3 4006 B10R0.6 COCCNC(=O)CC(=O)N 240690a_100000209980_100134613110 [0,1,0,0,0,1|2,0,0]=4 4007 B10R0.6 COCCNC(=O)CC(=O)N 527a_100000209980_100134613110 [0,1,0,0,0,1|2,0,0]=4 4008 B10R0.6 COCCOC(=O)CC(=O)C 1458a_100000070787_200000040189 [0,1,0,0,0,1|1,0,0]=3 4009 B10R0.6 COCCOC(=O)CC(=O)C 34a_100138415774_100000102702 [0,1,0,0,0,1|1,0,0]=3 4010 B10R0.6 COCSCC(=O)NC(=O)C 62a_100000766300_100000183797 [0,1,0,0,0,1|1,0,0]=3 4011 B10R0.6 COCSCC(=O)NC(=O)N 62a_100000766300_100000182717 [0,1,0,0,0,1|2,0,0]=4 4012 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,1,0,0,0,1|1,0,0]=3 4013 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,1,0,0,0,1|1,0,0]=3 4014 B10R0.6 CSCCCC(=O)CC(C)C 1458a_100000173376_100000210624 [0,1,0,0,0,1|1,0,1]=4 4015 B10R0.6 CSCCCC(=O)CC(C)O 1458a_100000173376_100011218427 [0,1,0,0,0,1|0,0,2]=4 4016 B10R0.6 CSCCCC(=O)C[N+](=O)[O-] 1458a_100000173376_100000761209 [0,1,0,0,0,1|2,0,0]=4 4017 B10R0.6 CSCCCC(=O)NC(C)C 11a_100138425928_100000173376 [0,1,0,0,0,1|1,0,1]=4 4018 B10R0.6 CSCCCC(=O)NC(C)C 1626a_100138425928_100000173376 [0,1,0,0,0,1|1,0,1]=4 4019 B10R0.6 CSCCCC(=O)NC(C)C 240690a_100138425928_100000173376 [0,1,0,0,0,1|1,0,1]=4 4020 B10R0.6 CSCCCC(=O)NC(C)C 527a_100138425928_100000173376 [0,1,0,0,0,1|1,0,1]=4 4021 B10R0.6 CSCCNC(=O)C=C(C)C 11a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 4022 B10R0.6 CSCCNC(=O)C=C(C)C 1626a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 4023 B10R0.6 CSCCNC(=O)C=C(C)C 240690a_100020590264_100000211388 [0,1,0,0,0,1|2,0,0]=4 4024 B10R0.6 CSCCNC(=O)C=C(C)Cl 11a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 4025 B10R0.6 CSCCNC(=O)C=C(C)Cl 1626a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 4026 B10R0.6 CSCCNC(=O)C=C(C)Cl 240690a_100020590264_200042562850 [0,1,0,0,0,1|2,0,0]=4 4027 B10R0.6 CSCCNC(=O)C=C(C)I 11a_100020590264_100025716642 [0,1,0,0,0,1|2,0,0]=4 4028 B10R0.6 CSCCNC(=O)C=C(C)I 1626a_100020590264_100025716642 [0,1,0,0,0,1|2,0,0]=4 4029 B10R0.6 CSCCNC(=O)CC(=O)N 240690a_100020590264_100134613110 [0,1,0,0,0,1|2,0,0]=4 4030 B10R0.6 CSCCNC(=O)CC(=O)N 527a_100020590264_100134613110 [0,1,0,0,0,1|2,0,0]=4 4031 B10R0.6 CSCCOC(=O)CC(=O)C 62a_100000102702_200000210301 [0,1,0,0,0,1|1,0,0]=3 4032 B10R0.6 CSCCOC(=O)CC(=O)C 62a_200000210301_100000102702 [0,1,0,0,0,1|1,0,0]=3 4033 B10R0.6 CSCCOC(=O)NC(=O)N 62a_200000210301_100000054987 [0,1,0,0,0,1|2,0,0]=4 4034 B10R0.6 CSCSCC(=O)NC(=O)C 62a_100011218213_100000183797 [0,1,0,0,0,1|1,0,0]=3 4035 B10R0.6 CSCSCC(=O)NC(=O)N 62a_100011218213_100000182717 [0,1,0,0,0,1|2,0,0]=4 4036 B10R0.6 C[C@@H](O)CC(=O)CCCCF 1458a_100011933948_100000729493 [0,1,0,0,0,1|0,0,2]=4 4037 B10R0.6 C[C@@H](O)CC(=O)CCCCO 1458a_100011933948_100000210776 [0,1,0,0,0,1|0,0,2]=4 4038 B10R0.6 C[S+](C)CC(=O)CCCCF 1458a_200159257847_100000729493 [0,1,0,0,0,1|2,0,0]=4 4039 B10R0.6 C[S+](C)CC(=O)CCCCO 1458a_200159257847_100000210776 [0,1,0,0,0,1|2,0,0]=4 4040 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100000075515_100000187820 [0,1,0,0,0,1|1,0,1]=4 4041 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100134613110_100000211468 [0,1,0,0,0,1|1,0,1]=4 4042 B10R0.6 N#CCCCC(=O)CC(=O)[O-] 1458a_100000075515_100020667443 [0,1,0,0,0,1|1,0,1]=4 4043 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,1,0,0,0,1|1,0,0]=3 4044 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,1,0,0,0,1|1,0,0]=3 4045 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,1,0,0,0,1|1,0,0]=3 4046 B10R0.6 NC(=O)CC(=O)COCCO 1458a_100000708028_100000187820 [0,1,0,0,0,1|2,0,0]=4 4047 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [0,1,0,0,0,1|2,0,0]=4 4048 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [0,1,0,0,0,1|2,0,0]=4 4049 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [0,1,0,0,0,1|2,0,0]=4 4050 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [0,1,0,0,0,1|2,0,0]=4 4051 B10R0.6 NC(=O)NC(=O)CCSCF 62a_100015361967_100000237605 [0,1,0,0,0,1|2,0,0]=4 4052 B10R0.6 NC(=O)NC(=O)CNCCO 2230a_100016997473_100000182717 [0,1,0,0,0,1|2,0,0]=4 4053 B10R0.6 NC(=O)NC(=O)CSCCF 62a_100011217306_100000182717 [0,1,0,0,0,1|2,0,0]=4 4054 B10R0.6 NC(=O)NC(=O)CSCCO 62a_100000211926_100000182717 [0,1,0,0,0,1|2,0,0]=4 4055 B10R0.6 O=C(C=C(Cl)Cl)CCCCF 1458a_100000137448_100000729493 [0,1,0,0,0,1|2,0,0]=4 4056 B10R0.6 O=C(C=C(Cl)Cl)CCCCO 1458a_100000137448_100000210776 [0,1,0,0,0,1|2,0,0]=4 4057 B10R0.6 O=C(CCCCO)C[N+](=O)[O-] 1458a_100000695505_100000761209 [0,1,0,0,0,1|2,0,0]=4 4058 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,1,0,0,0,1|1,0,0]=3 4059 B10R0.6 O=C([O-])CC(=O)COCCO 1458a_100000708028_100020667443 [0,1,0,0,0,1|2,0,0]=4 4060 B10R0.6 [13CH3]SCCOC(=O)NC(=O)N 62a_200025704644_100000054987 [0,1,0,0,0,1|2,0,0]=4 4061 B10R0.18 C#CC(=O)CC(=O)NCCC 1458a_100000211873_100000183358 [0,1,0,0,0,1|1,0,1]=4 4062 B10R0.18 C#CC(=O)CC(=O)OCCC 1458a_100000211873_200011215008 [0,1,0,0,0,1|1,0,1]=4 4063 B10R0.18 C#CC(C)NC(=O)CCCC 11a_100000707721_100000210183 [0,1,0,0,0,1|1,0,1]=4 4064 B10R0.18 C#CC(C)NC(=O)CCCC 1626a_100000707721_100000210183 [0,1,0,0,0,1|1,0,1]=4 4065 B10R0.18 C#CC(C)NC(=O)CCCC 240690a_100000707721_100000210183 [0,1,0,0,0,1|1,0,1]=4 4066 B10R0.18 C#CC(C)NC(=O)CCCC 527a_100000707721_100000210183 [0,1,0,0,0,1|1,0,1]=4 4067 B10R0.18 C#CCCC(=O)CC(=O)CC 1458a_100000692101_100000747405 [0,1,0,0,0,1|0,0,2]=4 4068 B10R0.18 C#CCCC(=O)CC(=O)NC 1458a_100000692101_100000183359 [0,1,0,0,0,1|0,0,2]=4 4069 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,1,0,0,0,1|0,0,2]=4 4070 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,1,0,0,0,1|0,0,2]=4 4071 B10R0.18 C/C=C/CC(=O)CC(=O)OC 1458a_100000211351_100102629194 [0,1,0,0,0,1|0,0,2]=4 4072 B10R0.18 C=C(C#N)CC(=O)CCCC 1458a_100000210183_100000694840 [0,1,0,0,0,1|1,0,1]=4 4073 B10R0.18 C=CC(=O)CC(=O)NCCC 1458a_100000185746_100000183358 [0,1,0,0,0,1|1,0,1]=4 4074 B10R0.18 C=CC(=O)CC(=O)OCCC 1458a_100000185746_200011215008 [0,1,0,0,0,1|1,0,1]=4 4075 B10R0.18 C=CC(C)CC(=O)CCCC 1458a_100011934298_100000210211 [0,1,0,0,0,1|1,0,1]=4 4076 B10R0.18 C=CCCC(=O)CC(=O)CC 1458a_100000749702_100000747405 [0,1,0,0,0,1|0,0,2]=4 4077 B10R0.18 C=CCCC(=O)CC(=O)NC 1458a_100000749702_100000183359 [0,1,0,0,0,1|0,0,2]=4 4078 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,1,0,0,0,1|0,0,2]=4 4079 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,1,0,0,0,1|0,0,2]=4 4080 B10R0.18 CC#CCC(=O)CC(=O)OC 1458a_100000211351_100000748600 [0,1,0,0,0,1|0,0,2]=4 4081 B10R0.18 CC=CCC(=O)CC(=O)CC 1458a_100121576822_100000747405 [0,1,0,0,0,1|0,0,2]=4 4082 B10R0.18 CC=CCC(=O)CC(=O)NC 1458a_100121576822_100000183359 [0,1,0,0,0,1|0,0,2]=4 4083 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100000211351_100000070051 [0,1,0,0,0,1|0,0,2]=4 4084 B10R0.18 CC=CCC(=O)CC(=O)OC 1458a_100121576822_100000747449 [0,1,0,0,0,1|0,0,2]=4 4085 B10R0.18 CCC#CC(=O)CC(=O)CC 1458a_100011827653_100000747405 [0,1,0,0,0,1|0,0,2]=4 4086 B10R0.18 CCC#CC(=O)CC(=O)NC 1458a_100011827653_100000183359 [0,1,0,0,0,1|0,0,2]=4 4087 B10R0.18 CCC#CC(=O)CC(=O)OC 1458a_100011827653_100000747449 [0,1,0,0,0,1|0,0,2]=4 4088 B10R0.18 CCC(=CC(=O)CCCF)C 1458a_100020758463_100011934791 [0,1,0,0,0,1|2,0,0]=4 4089 B10R0.18 CCC(=CC(=O)CCCO)C 1458a_100020758463_100011215043 [0,1,0,0,0,1|2,0,0]=4 4090 B10R0.18 CCC(=CC(=O)CCOC)C 1458a_100020758463_100000233755 [0,1,0,0,0,1|2,0,0]=4 4091 B10R0.18 CCC(=CC(=O)CCSC)C 1458a_100020758463_100000751147 [0,1,0,0,0,1|2,0,0]=4 4092 B10R0.18 CCC(=O)CC(=O)CCC#N 1458a_100011934036_100000747405 [0,1,0,0,0,1|1,0,1]=4 4093 B10R0.18 CCC(=O)CC(=O)CCOC 1458a_100000749529_100000747405 [0,1,0,0,0,1|1,0,0]=3 4094 B10R0.18 CCC(=O)CC(=O)CCSC 1458a_100000174002_100000747405 [0,1,0,0,0,1|1,0,0]=3 4095 B10R0.18 CCC=CC(=O)CC(=O)CC 1458a_100000212282_100000747405 [0,1,0,0,0,1|0,0,2]=4 4096 B10R0.18 CCC=CC(=O)CC(=O)NC 1458a_100000212282_100000183359 [0,1,0,0,0,1|0,0,2]=4 4097 B10R0.18 CCC=CC(=O)CC(=O)OC 1458a_100000212282_100000747449 [0,1,0,0,0,1|0,0,2]=4 4098 B10R0.18 CCCCC(=O)C=C(C)CC 1458a_100020758463_100000210211 [0,1,0,0,0,1|1,0,0]=3 4099 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,1|0,0,0]=2 4100 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,1,0,0,0,1|0,0,0]=2 4101 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|0,0,0]=2 4102 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|0,0,0]=2 4103 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000210183_100000748023 [0,1,0,0,0,1|1,0,1]=4 4104 B10R0.18 CCCCC(=O)CC(C)CC 1458a_100000708755_100000210211 [0,1,0,0,0,1|1,0,1]=4 4105 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100000210183_100011218378 [0,1,0,0,0,1|0,0,2]=4 4106 B10R0.18 CCCCC(=O)CC(O)CC 1458a_100011667805_100000210211 [0,1,0,0,0,1|0,0,2]=4 4107 B10R0.18 CCCCC(=O)CN(C)CC 1458a_100116209913_100000210211 [0,1,0,0,0,1|2,0,0]=4 4108 B10R0.18 CCCCC(=O)C[C@@H](C)CC 1458a_100000210183_100009816398 [0,1,0,0,0,1|1,0,1]=4 4109 B10R0.18 CCCCC(=O)C[C@@H](C)CO 1458a_100000210183_100000059175 [0,1,0,0,0,1|0,0,2]=4 4110 B10R0.18 CCCCC(=O)NC(C)C#N 11a_100000737613_100000210183 [0,1,0,0,0,1|1,0,1]=4 4111 B10R0.18 CCCCC(=O)NC(C)C#N 1626a_100000737613_100000210183 [0,1,0,0,0,1|1,0,1]=4 4112 B10R0.18 CCCCC(=O)NC(C)C#N 527a_100000737613_100000210183 [0,1,0,0,0,1|1,0,1]=4 4113 B10R0.18 CCCCC(=O)NC(C)CC 11a_100000209981_100000210183 [0,1,0,0,0,1|1,0,1]=4 4114 B10R0.18 CCCCC(=O)NC(C)CC 1626a_100000209981_100000210183 [0,1,0,0,0,1|1,0,1]=4 4115 B10R0.18 CCCCC(=O)NC(C)CC 240690a_100000209981_100000210183 [0,1,0,0,0,1|1,0,1]=4 4116 B10R0.18 CCCCC(=O)NC(C)CC 527a_100000209981_100000210183 [0,1,0,0,0,1|1,0,1]=4 4117 B10R0.18 CCCCC(=O)N[C@H](C)CF 11a_100102880703_100000210183 [0,1,0,0,0,1|1,0,1]=4 4118 B10R0.18 CCCCC(=O)N[C@H](C)CF 1626a_100102880703_100000210183 [0,1,0,0,0,1|1,0,1]=4 4119 B10R0.18 CCCCC(=O)N[C@H](C)CF 240690a_100102880703_100000210183 [0,1,0,0,0,1|1,0,1]=4 4120 B10R0.18 CCCCC(=O)N[C@H](C)CF 527a_100102880703_100000210183 [0,1,0,0,0,1|1,0,1]=4 4121 B10R0.18 CCCCC(=O)N[C@H](C)CO 240690a_100000737577_100000210183 [0,1,0,0,0,1|0,0,2]=4 4122 B10R0.18 CCCCC(=O)N[C@H](C)CO 527a_100000737577_100000210183 [0,1,0,0,0,1|0,0,2]=4 4123 B10R0.18 CCCCC(C)NC(=O)CC 11a_100000126638_100000210414 [0,1,0,0,0,1|1,0,1]=4 4124 B10R0.18 CCCCC(C)NC(=O)CC 1626a_100000126638_100000210414 [0,1,0,0,0,1|1,0,1]=4 4125 B10R0.18 CCCCC(C)NC(=O)CC 240690a_100000126638_100000210414 [0,1,0,0,0,1|1,0,1]=4 4126 B10R0.18 CCCCC(C)NC(=O)CC 527a_100000126638_100000210414 [0,1,0,0,0,1|1,0,1]=4 4127 B10R0.18 CCCCC(C)NC(=O)CO 240690a_100000126638_100000210174 [0,1,0,0,0,1|1,0,1]=4 4128 B10R0.18 CCCCC(C)NC(=O)CO 527a_100000126638_100000210174 [0,1,0,0,0,1|1,0,1]=4 4129 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100000126638_106832991635 [0,1,0,0,0,1|1,0,1]=4 4130 B10R0.18 CCCCC(C)NC(=O)NC 2708a_100102657272_100000126638 [0,1,0,0,0,1|1,0,1]=4 4131 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100000126638_100102657272 [0,1,0,0,0,1|1,0,1]=4 4132 B10R0.18 CCCCC(C)NC(=O)NC 273464a_100102657272_100000126638 [0,1,0,0,0,1|1,0,1]=4 4133 B10R0.18 CCCCC(C)NC(=O)NC 512a_100000126638_100102657272 [0,1,0,0,0,1|1,0,1]=4 4134 B10R0.18 CCCCC(C)NC(=O)NC 512a_106832991638_100000126638 [0,1,0,0,0,1|1,0,1]=4 4135 B10R0.18 CCCCN(C)CC(=O)CC 269982a_100000207549_100000747405 [0,1,0,0,0,1|2,0,0]=4 4136 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000189611_100000210211 [0,1,0,0,0,1|2,0,0]=4 4137 B10R0.18 CCCCN(C)CC(=O)NC 2230a_100000207549_100000183359 [0,1,0,0,0,1|2,0,0]=4 4138 B10R0.18 CCCCN(C)CC(=O)NC 269982a_100000207549_100000183359 [0,1,0,0,0,1|2,0,0]=4 4139 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000198492_100000210211 [0,1,0,0,0,1|2,0,0]=4 4140 B10R0.18 CCCCN(C)CC(=O)OC 2230a_100000207549_100000747449 [0,1,0,0,0,1|2,0,0]=4 4141 B10R0.18 CCCCN(C)CC(=O)OC 269982a_100000207549_100000747449 [0,1,0,0,0,1|2,0,0]=4 4142 B10R0.18 CCCNC(=O)C=C(C)CC 11a_100020643023_100020758463 [0,1,0,0,0,1|2,0,0]=4 4143 B10R0.18 CCCNC(=O)C=C(C)CC 1626a_100020643023_100020758463 [0,1,0,0,0,1|2,0,0]=4 4144 B10R0.18 CCCNC(=O)C=C(C)CC 240690a_100020643023_100020758463 [0,1,0,0,0,1|2,0,0]=4 4145 B10R0.18 CCCNC(=O)CC(=O)CC 1458a_100000210414_100000183358 [0,1,0,0,0,1|1,0,0]=3 4146 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,1,0,0,0,1|1,0,0]=3 4147 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,1,0,0,0,1|1,0,0]=3 4148 B10R0.18 CCCOC(=O)CC(=O)CC 1458a_100000210414_200011215008 [0,1,0,0,0,1|1,0,0]=3 4149 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,1,0,0,0,1|1,0,0]=3 4150 B10R0.18 CCNNC(=O)CC(=O)OC 22a_100000756455_100000211351 [0,1,0,0,0,1|2,0,0]=4 4151 B10R0.18 CCOCC(=O)CC(=O)CC 1458a_100000211967_100000747405 [0,1,0,0,0,1|1,0,0]=3 4152 B10R0.18 CCOCC(=O)CC(=O)NC 1458a_100000211967_100000183359 [0,1,0,0,0,1|1,0,0]=3 4153 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,1,0,0,0,1|1,0,0]=3 4154 B10R0.18 CCSCC(=O)CC(=O)CC 1458a_100000230394_100000747405 [0,1,0,0,0,1|1,0,0]=3 4155 B10R0.18 CCSCC(=O)CC(=O)NC 1458a_100000230394_100000183359 [0,1,0,0,0,1|1,0,0]=3 4156 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,1,0,0,0,1|1,0,0]=3 4157 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,1,0,0,0,1|1,0,0]=3 4158 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,1,0,0,0,1|1,0,0]=3 4159 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,1,0,0,0,1|1,0,0]=3 4160 B10R0.18 CNC(=O)CC(=O)CCC#N 1458a_100011934036_100000183359 [0,1,0,0,0,1|1,0,1]=4 4161 B10R0.18 CNC(=O)CC(=O)CCOC 1458a_100000749529_100000183359 [0,1,0,0,0,1|1,0,0]=3 4162 B10R0.18 CNC(=O)CC(=O)CCSC 1458a_100000174002_100000183359 [0,1,0,0,0,1|1,0,0]=3 4163 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,1,0,0,0,1|1,0,1]=4 4164 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,1,0,0,0,1|1,0,1]=4 4165 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,1,0,0,0,1|1,0,0]=3 4166 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,1,0,0,0,1|1,0,0]=3 4167 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,1,0,0,0,1|1,0,0]=3 4168 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,1,0,0,0,1|1,0,0]=3 4169 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,1,0,0,0,1|2,0,0]=4 4170 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,1,0,0,0,1|2,0,0]=4 4171 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,1,0,0,0,1|2,0,0]=4 4172 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,1,0,0,0,1|2,0,0]=4 4173 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [0,1,0,0,0,1|2,0,0]=4 4174 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,1,0,0,0,1|1,0,0]=3 4175 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,1,0,0,0,1|1,0,0]=3 4176 B10R0.28 CCCCC(=O)CC(C)(C)C 1458a_100000211214_100000210211 [0,1,0,0,0,1|1,0,1]=4 4177 B10R0.28 CCCCC(=O)CC(C)(C)O 1458a_100000693243_100000210211 [0,1,0,0,0,1|0,0,2]=4 4178 B10R0.28 CCCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000210211 [0,1,0,0,0,1|1,0,0]=3 4179 B10R0.28 CCCCC(=O)CS(=O)(=O)N 1458a_100000210183_100000741382 [0,1,0,0,0,1|2,0,0]=4 4180 B10R0.28 CCCCC(=O)CS(=O)(=O)[O-] 1458a_100000210183_100009817235 [0,1,0,0,0,1|2,0,0]=4 4181 B10R0.28 CCCCC(=O)C[N+](C)(C)C 1458a_100000033712_100000210211 [0,1,0,0,0,1|2,0,0]=4 4182 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100000210183_100000233785 [0,1,0,0,0,1|1,1,0]=4 4183 B10R0.28 CCCCC(=O)C[Si](C)(C)C 1458a_100011218504_100000210211 [0,1,0,0,0,1|1,1,0]=4 4184 B10R0.28 CCCCC(=O)NC(C)(C)C 11a_100000715429_100000210183 [0,1,0,0,0,1|1,0,1]=4 4185 B10R0.28 CCCCC(=O)NC(C)(C)C 1626a_100000715429_100000210183 [0,1,0,0,0,1|1,0,1]=4 4186 B10R0.28 CCCCC(=O)NC(C)(C)C 240690a_100000715429_100000210183 [0,1,0,0,0,1|1,0,1]=4 4187 B10R0.28 CCCCC(=O)NC(C)(C)C 527a_100000715429_100000210183 [0,1,0,0,0,1|1,0,1]=4 4188 B10R0.28 CCCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000210183 [0,1,0,0,0,1|1,0,0]=3 4189 B10R0.28 CCCNC(=O)CS(=O)(=O)C 11a_100020643023_100000744497 [0,1,0,0,0,1|2,0,0]=4 4190 B10R0.28 CCCNC(=O)CS(=O)(=O)C 240690a_100020643023_100000744497 [0,1,0,0,0,1|2,0,0]=4 4191 B10R0.28 CCCNC(=O)CS(=O)(=O)C 527a_100020643023_100000744497 [0,1,0,0,0,1|2,0,0]=4 4192 B10R0.28 CCOCC(=O)NS(=O)(=O)C 2740a_100000171171_100000211967 [0,1,0,0,0,1|2,0,0]=4 4193 B10R0.28 CCSCC(=O)NS(=O)(=O)C 2740a_100000171171_100000230394 [0,1,0,0,0,1|2,0,0]=4 4194 B10R0.28 CCSCC(=O)NS(=O)(=O)C 62a_100000210202_100009907230 [0,1,0,0,0,1|2,0,0]=4 4195 B10R0.28 CCSCC(=O)NS(=O)(=O)C 62a_100009907230_100000210202 [0,1,0,0,0,1|2,0,0]=4 4196 B10R0.28 COCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000233755 [0,1,0,0,0,1|2,0,0]=4 4197 B10R0.28 COCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000749529 [0,1,0,0,0,1|2,0,0]=4 4198 B10R0.28 CS(=O)(=O)CC(=O)CCCF 1458a_100000744497_100011934791 [0,1,0,0,0,1|2,0,0]=4 4199 B10R0.28 CS(=O)(=O)CC(=O)CCCO 1458a_100000744497_100011215043 [0,1,0,0,0,1|2,0,0]=4 4200 B10R0.28 CSCCC(=O)CS(=O)(=O)C 1458a_100000744497_100000751147 [0,1,0,0,0,1|2,0,0]=4 4201 B10R0.28 CSCCC(=O)NS(=O)(=O)C 2740a_100000171171_100000174002 [0,1,0,0,0,1|2,0,0]=4 4202 B10R0.32 C=C(C)CC(=O)C(C)CCC 1458a_100000210906_100000748629 [0,1,0,0,0,1|1,0,0]=3 4203 B10R0.32 C=C(C)CC(=O)C(C)COC 1458a_100000751857_100000748629 [0,1,0,0,0,1|2,0,0]=4 4204 B10R0.32 C=C(C)CC(=O)C(C)CSC 1458a_100000753918_100000748629 [0,1,0,0,0,1|2,0,0]=4 4205 B10R0.32 C=C(C)CC(=O)C(C)OCC 1458a_100000739345_100000748629 [0,1,0,0,0,1|2,0,0]=4 4206 B10R0.32 C=C(C)CC(=O)C(C)SCC 1458a_100000230601_100000748629 [0,1,0,0,0,1|2,0,0]=4 4207 B10R0.32 C=C(C)CC(=O)[C@@H](O)CCC 1458a_100009822183_100000748629 [0,1,0,0,0,1|1,0,0]=3 4208 B10R0.32 C=C(F)CC(=O)C(C)CCC 1458a_100000210906_100009893438 [0,1,0,0,0,1|1,0,1]=4 4209 B10R0.32 C=C(F)CC(=O)[C@@H](O)CCC 1458a_100009822183_100009893438 [0,1,0,0,0,1|1,0,1]=4 4210 B10R0.32 CC(=CC(=O)C(C)CCO)C 1458a_100000211388_100009893172 [0,1,0,0,0,1|2,0,0]=4 4211 B10R0.32 CC(=CC(=O)C(C)CCO)Cl 1458a_200042562850_100009893172 [0,1,0,0,0,1|2,0,0]=4 4212 B10R0.32 CC(=CC(=O)C(C)CCO)I 1458a_100025716642_100009893172 [0,1,0,0,0,1|2,0,0]=4 4213 B10R0.32 CC(CCO)C(=O)CC(=O)N 1458a_100134613110_100009893172 [0,1,0,0,0,1|2,0,0]=4 4214 B10R0.32 CCCC(C)C(=O)C=C(C)C 1458a_100000211388_100000766640 [0,1,0,0,0,1|1,0,0]=3 4215 B10R0.32 CCCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000766640 [0,1,0,0,0,1|1,0,0]=3 4216 B10R0.32 CCCC(C)C(=O)C=C(C)I 1458a_100025716642_100000766640 [0,1,0,0,0,1|1,0,0]=3 4217 B10R0.32 CCCC(C)C(=O)C=C(Cl)Cl 1458a_100000137448_100000766640 [0,1,0,0,0,1|2,0,0]=4 4218 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,1,0,0,0,1|1,0,0]=3 4219 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,1,0,0,0,1|1,0,0]=3 4220 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,1,0,0,0,1|1,0,0]=3 4221 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210554_100000766640 [0,1,0,0,0,1|1,0,1]=4 4222 B10R0.32 CCCC(C)C(=O)CC(C)C 1458a_100000210906_100000210624 [0,1,0,0,0,1|1,0,1]=4 4223 B10R0.32 CCCC(C)C(=O)CC(C)O 1458a_100000210906_100011218427 [0,1,0,0,0,1|0,0,2]=4 4224 B10R0.32 CCCC(C)C(=O)CN(C)C 1458a_100000750896_100000766640 [0,1,0,0,0,1|2,0,0]=4 4225 B10R0.32 CCCC(C)C(=O)C[C@@H](C)O 1458a_100011933948_100000766640 [0,1,0,0,0,1|0,0,2]=4 4226 B10R0.32 CCCC(C)C(=O)C[N+](=O)[O-] 1458a_100000210906_100000761209 [0,1,0,0,0,1|2,0,0]=4 4227 B10R0.32 CCCC(C)C(=O)C[S+](C)C 1458a_200159257847_100000766640 [0,1,0,0,0,1|2,0,0]=4 4228 B10R0.32 CCCC(C)C(=O)NC(C)C 11a_100138425928_100000210906 [0,1,0,0,0,1|1,0,1]=4 4229 B10R0.32 CCCC(C)C(=O)NC(C)C 1626a_100138425928_100000210906 [0,1,0,0,0,1|1,0,1]=4 4230 B10R0.32 CCCC(C)C(=O)NC(C)C 240690a_100138425928_100000210906 [0,1,0,0,0,1|1,0,1]=4 4231 B10R0.32 CCCC(C)C(=O)NC(C)C 527a_100138425928_100000210906 [0,1,0,0,0,1|1,0,1]=4 4232 B10R0.32 CCCN(C)C(=O)C=C(C)C 11a_100000747261_100000211388 [0,1,0,0,0,1|2,0,0]=4 4233 B10R0.32 CCCN(C)C(=O)C=C(C)C 1626a_100000747261_100000211388 [0,1,0,0,0,1|2,0,0]=4 4234 B10R0.32 CCCN(C)C(=O)C=C(C)C 240690a_100000747261_100000211388 [0,1,0,0,0,1|2,0,0]=4 4235 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 11a_100000747261_200042562850 [0,1,0,0,0,1|2,0,0]=4 4236 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 1626a_100000747261_200042562850 [0,1,0,0,0,1|2,0,0]=4 4237 B10R0.32 CCCN(C)C(=O)C=C(C)Cl 240690a_100000747261_200042562850 [0,1,0,0,0,1|2,0,0]=4 4238 B10R0.32 CCCN(C)C(=O)C=C(C)I 11a_100000747261_100025716642 [0,1,0,0,0,1|2,0,0]=4 4239 B10R0.32 CCCN(C)C(=O)C=C(C)I 1626a_100000747261_100025716642 [0,1,0,0,0,1|2,0,0]=4 4240 B10R0.32 CCCN(C)C(=O)CC(=O)N 240690a_100000747261_100134613110 [0,1,0,0,0,1|2,0,0]=4 4241 B10R0.32 CCCN(C)C(=O)CC(=O)N 527a_100000747261_100134613110 [0,1,0,0,0,1|2,0,0]=4 4242 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,1,0,0,0,1|1,0,0]=3 4243 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,1,0,0,0,1|1,0,0]=3 4244 B10R0.32 CCC[C@H](O)C(=O)CC(C)C 1458a_100009822183_100000210624 [0,1,0,0,0,1|1,0,1]=4 4245 B10R0.32 CCC[C@H](O)C(=O)CC(C)O 1458a_100009822183_100011218427 [0,1,0,0,0,1|0,0,2]=4 4246 B10R0.32 CCC[C@H](O)C(=O)C[N+](=O)[O-] 1458a_100009822183_100000761209 [0,1,0,0,0,1|2,0,0]=4 4247 B10R0.32 CCC[C@H](O)C(=O)NC(C)C 240690a_100138425928_100009822183 [0,1,0,0,0,1|1,0,1]=4 4248 B10R0.32 CCNC(C)C(=O)NC(=O)N 2230a_100015525214_100000183865 [0,1,0,0,0,1|2,0,0]=4 4249 B10R0.32 CCOC(C)C(=O)CC(=O)N 1458a_100000739345_100000187820 [0,1,0,0,0,1|2,0,0]=4 4250 B10R0.32 CCOC(C)C(=O)CC(=O)[O-] 1458a_100000739345_100020667443 [0,1,0,0,0,1|2,0,0]=4 4251 B10R0.32 CCSC(C)C(=O)CC(=O)N 1458a_100000230601_100000187820 [0,1,0,0,0,1|2,0,0]=4 4252 B10R0.32 CCSC(C)C(=O)CC(=O)[O-] 1458a_100000230601_100020667443 [0,1,0,0,0,1|2,0,0]=4 4253 B10R0.32 CCSC(C)C(=O)NC(=O)N 62a_100000183865_100000210202 [0,1,0,0,0,1|2,0,0]=4 4254 B10R0.32 CCSC(C)C(=O)NC(=O)N 62a_100000210202_100000183865 [0,1,0,0,0,1|2,0,0]=4 4255 B10R0.32 COCC(C)C(=O)C=C(C)C 1458a_100000211388_100000765312 [0,1,0,0,0,1|2,0,0]=4 4256 B10R0.32 COCC(C)C(=O)C=C(C)Cl 1458a_200042562850_100000765312 [0,1,0,0,0,1|2,0,0]=4 4257 B10R0.32 COCC(C)C(=O)C=C(C)I 1458a_100025716642_100000765312 [0,1,0,0,0,1|2,0,0]=4 4258 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100000751857_100000187820 [0,1,0,0,0,1|2,0,0]=4 4259 B10R0.32 COCC(C)C(=O)CC(=O)N 1458a_100134613110_100000765312 [0,1,0,0,0,1|2,0,0]=4 4260 B10R0.32 COCC(C)C(=O)CC(=O)[O-] 1458a_100000751857_100020667443 [0,1,0,0,0,1|2,0,0]=4 4261 B10R0.32 CSCC(C)C(=O)CC(=O)N 1458a_100000753918_100000187820 [0,1,0,0,0,1|2,0,0]=4 4262 B10R0.32 CSCC(C)C(=O)CC(=O)[O-] 1458a_100000753918_100020667443 [0,1,0,0,0,1|2,0,0]=4 4263 B10R0.44 C=C(C)CC(=O)CC(C)CC 1458a_100000708755_100000748629 [0,1,0,0,0,1|1,0,0]=3 4264 B10R0.44 C=C(C)CC(=O)CC(O)CC 1458a_100011667805_100000748629 [0,1,0,0,0,1|1,0,0]=3 4265 B10R0.44 C=C(C)CC(=O)CN(C)CC 1458a_100116209913_100000748629 [0,1,0,0,0,1|2,0,0]=4 4266 B10R0.44 C=C(F)CC(=O)CC(C)CC 1458a_100000708755_100009893438 [0,1,0,0,0,1|1,0,1]=4 4267 B10R0.44 C=C(F)CC(=O)CC(O)CC 1458a_100011667805_100009893438 [0,1,0,0,0,1|1,0,1]=4 4268 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)C 1458a_100000211388_100000059175 [0,1,0,0,0,1|2,0,0]=4 4269 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)Cl 1458a_200042562850_100000059175 [0,1,0,0,0,1|2,0,0]=4 4270 B10R0.44 CC(=CC(=O)C[C@@H](C)CO)I 1458a_100025716642_100000059175 [0,1,0,0,0,1|2,0,0]=4 4271 B10R0.44 CC(=O)NC(=O)CC(=O)CO 1458a_100000210174_100000183797 [0,1,0,0,0,1|1,0,1]=4 4272 B10R0.44 CCC(=O)CC(=O)C=C(C)C 1458a_100000211388_100000747405 [0,1,0,0,0,1|1,0,1]=4 4273 B10R0.44 CCC(=O)CC(=O)C=C(C)Cl 1458a_200042562850_100000747405 [0,1,0,0,0,1|1,0,1]=4 4274 B10R0.44 CCC(=O)CC(=O)C=C(C)I 1458a_100025716642_100000747405 [0,1,0,0,0,1|1,0,1]=4 4275 B10R0.44 CCC(=O)CC(=O)CC(=O)N 1458a_100134613110_100000747405 [0,1,0,0,0,1|1,0,1]=4 4276 B10R0.44 CCC(=O)CC(=O)NC(=O)C 1458a_100000210414_100000183797 [0,1,0,0,0,1|0,0,1]=3 4277 B10R0.44 CCC(=O)CC(=O)NC(=O)N 1458a_100000210414_100000182717 [0,1,0,0,0,1|1,0,1]=4 4278 B10R0.44 CCC(C)CC(=O)C=C(C)C 1458a_100000211388_100000748023 [0,1,0,0,0,1|1,0,0]=3 4279 B10R0.44 CCC(C)CC(=O)C=C(C)Cl 1458a_200042562850_100000748023 [0,1,0,0,0,1|1,0,0]=3 4280 B10R0.44 CCC(C)CC(=O)C=C(C)I 1458a_100025716642_100000748023 [0,1,0,0,0,1|1,0,0]=3 4281 B10R0.44 CCC(C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100000748023 [0,1,0,0,0,1|2,0,0]=4 4282 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,1|1,0,0]=3 4283 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,1|1,0,0]=3 4284 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,1|1,0,0]=3 4285 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000210554_100000748023 [0,1,0,0,0,1|1,0,1]=4 4286 B10R0.44 CCC(C)CC(=O)CC(C)C 1458a_100000708755_100000210624 [0,1,0,0,0,1|1,0,1]=4 4287 B10R0.44 CCC(C)CC(=O)CC(C)O 1458a_100000708755_100011218427 [0,1,0,0,0,1|0,0,2]=4 4288 B10R0.44 CCC(C)CC(=O)CN(C)C 1458a_100000750896_100000748023 [0,1,0,0,0,1|2,0,0]=4 4289 B10R0.44 CCC(C)CC(=O)C[C@@H](C)O 1458a_100011933948_100000748023 [0,1,0,0,0,1|0,0,2]=4 4290 B10R0.44 CCC(C)CC(=O)C[N+](=O)[O-] 1458a_100000708755_100000761209 [0,1,0,0,0,1|2,0,0]=4 4291 B10R0.44 CCC(C)CC(=O)C[S+](C)C 1458a_200159257847_100000748023 [0,1,0,0,0,1|2,0,0]=4 4292 B10R0.44 CCC(C)CC(=O)NC(C)C 11a_100138425928_100000708755 [0,1,0,0,0,1|1,0,1]=4 4293 B10R0.44 CCC(C)CC(=O)NC(C)C 1626a_100138425928_100000708755 [0,1,0,0,0,1|1,0,1]=4 4294 B10R0.44 CCC(C)CC(=O)NC(C)C 240690a_100138425928_100000708755 [0,1,0,0,0,1|1,0,1]=4 4295 B10R0.44 CCC(C)CC(=O)NC(C)C 527a_100138425928_100000708755 [0,1,0,0,0,1|1,0,1]=4 4296 B10R0.44 CCC(C)CC(C)NC(=O)C 11a_100000763565_100015343762 [0,1,0,0,0,1|1,0,1]=4 4297 B10R0.44 CCC(C)CC(C)NC(=O)C 1626a_100000763565_100015343762 [0,1,0,0,0,1|1,0,1]=4 4298 B10R0.44 CCC(C)CC(C)NC(=O)C 240690a_100000763565_100015343762 [0,1,0,0,0,1|1,0,1]=4 4299 B10R0.44 CCC(C)CC(C)NC(=O)C 527a_100000763565_100103153847 [0,1,0,0,0,1|1,0,1]=4 4300 B10R0.44 CCC(C)NC(=O)C=C(C)C 11a_100000209981_100000211388 [0,1,0,0,0,1|2,0,0]=4 4301 B10R0.44 CCC(C)NC(=O)C=C(C)C 1626a_100000209981_100000211388 [0,1,0,0,0,1|2,0,0]=4 4302 B10R0.44 CCC(C)NC(=O)C=C(C)C 240690a_100000209981_100000211388 [0,1,0,0,0,1|2,0,0]=4 4303 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 11a_100000209981_200042562850 [0,1,0,0,0,1|2,0,0]=4 4304 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 1626a_100000209981_200042562850 [0,1,0,0,0,1|2,0,0]=4 4305 B10R0.44 CCC(C)NC(=O)C=C(C)Cl 240690a_100000209981_200042562850 [0,1,0,0,0,1|2,0,0]=4 4306 B10R0.44 CCC(C)NC(=O)C=C(C)I 11a_100000209981_100025716642 [0,1,0,0,0,1|2,0,0]=4 4307 B10R0.44 CCC(C)NC(=O)C=C(C)I 1626a_100000209981_100025716642 [0,1,0,0,0,1|2,0,0]=4 4308 B10R0.44 CCC(C)NC(=O)CC(=O)C 1458a_100000070787_100000182745 [0,1,0,0,0,1|1,0,0]=3 4309 B10R0.44 CCC(C)NC(=O)CC(=O)N 240690a_100000209981_100134613110 [0,1,0,0,0,1|2,0,0]=4 4310 B10R0.44 CCC(C)NC(=O)CC(=O)N 527a_100000209981_100134613110 [0,1,0,0,0,1|2,0,0]=4 4311 B10R0.44 CCC(O)CC(=O)C=C(C)C 1458a_100000211388_100011218378 [0,1,0,0,0,1|1,0,0]=3 4312 B10R0.44 CCC(O)CC(=O)C=C(C)Cl 1458a_200042562850_100011218378 [0,1,0,0,0,1|1,0,0]=3 4313 B10R0.44 CCC(O)CC(=O)C=C(C)I 1458a_100025716642_100011218378 [0,1,0,0,0,1|1,0,0]=3 4314 B10R0.44 CCC(O)CC(=O)C=C(Cl)Cl 1458a_100000137448_100011218378 [0,1,0,0,0,1|2,0,0]=4 4315 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,1,0,0,0,1|1,0,0]=3 4316 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,1,0,0,0,1|1,0,0]=3 4317 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,1,0,0,0,1|1,0,0]=3 4318 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100000210554_100011218378 [0,1,0,0,0,1|1,0,1]=4 4319 B10R0.44 CCC(O)CC(=O)CC(C)C 1458a_100011667805_100000210624 [0,1,0,0,0,1|1,0,1]=4 4320 B10R0.44 CCC(O)CC(=O)CC(C)O 1458a_100011667805_100011218427 [0,1,0,0,0,1|0,0,2]=4 4321 B10R0.44 CCC(O)CC(=O)CN(C)C 1458a_100000750896_100011218378 [0,1,0,0,0,1|2,0,0]=4 4322 B10R0.44 CCC(O)CC(=O)C[C@@H](C)O 1458a_100011933948_100011218378 [0,1,0,0,0,1|0,0,2]=4 4323 B10R0.44 CCC(O)CC(=O)C[N+](=O)[O-] 1458a_100011667805_100000761209 [0,1,0,0,0,1|2,0,0]=4 4324 B10R0.44 CCC(O)CC(=O)C[S+](C)C 1458a_200159257847_100011218378 [0,1,0,0,0,1|2,0,0]=4 4325 B10R0.44 CCC(O)CC(=O)NC(C)C 1626a_100138425928_100011667805 [0,1,0,0,0,1|1,0,1]=4 4326 B10R0.44 CCC(O)CC(=O)NC(C)C 240690a_100138425928_100011667805 [0,1,0,0,0,1|1,0,1]=4 4327 B10R0.44 CCN(C)CC(=O)CC(=O)N 1458a_100116209913_100000187820 [0,1,0,0,0,1|2,0,0]=4 4328 B10R0.44 CCN(C)CC(=O)CC(=O)[O-] 1458a_100116209913_100020667443 [0,1,0,0,0,1|2,0,0]=4 4329 B10R0.44 CCN(C)CC(=O)NC(=O)C 269982a_100000225621_100000183797 [0,1,0,0,0,1|1,0,0]=3 4330 B10R0.44 CCN(C)CC(=O)NC(=O)N 2230a_100000225621_100000182717 [0,1,0,0,0,1|2,0,0]=4 4331 B10R0.44 CCN(C)CC(=O)NC(=O)N 269982a_100000225621_100000182717 [0,1,0,0,0,1|2,0,0]=4 4332 B10R0.44 CC[C@H](C)CC(=O)C=C(C)C 1458a_100000211388_100009816398 [0,1,0,0,0,1|1,0,0]=3 4333 B10R0.44 CC[C@H](C)CC(=O)C=C(C)Cl 1458a_200042562850_100009816398 [0,1,0,0,0,1|1,0,0]=3 4334 B10R0.44 CC[C@H](C)CC(=O)C=C(C)I 1458a_100025716642_100009816398 [0,1,0,0,0,1|1,0,0]=3 4335 B10R0.44 CC[C@H](C)CC(=O)C=C(Cl)Cl 1458a_100000137448_100009816398 [0,1,0,0,0,1|2,0,0]=4 4336 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,1|1,0,0]=3 4337 B10R0.44 CC[C@H](C)CC(=O)CC(C)C 1458a_100000210554_100009816398 [0,1,0,0,0,1|1,0,1]=4 4338 B10R0.44 CC[C@H](C)CC(=O)CN(C)C 1458a_100000750896_100009816398 [0,1,0,0,0,1|2,0,0]=4 4339 B10R0.44 CC[C@H](C)CC(=O)C[C@@H](C)O 1458a_100011933948_100009816398 [0,1,0,0,0,1|0,0,2]=4 4340 B10R0.44 CC[C@H](C)CC(=O)C[S+](C)C 1458a_200159257847_100009816398 [0,1,0,0,0,1|2,0,0]=4 4341 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,1,0,0,0,1|2,0,0]=4 4342 B10R0.81 C#CCCC(=O)C(C)C(=O)C 1458a_100000692101_100000179758 [0,1,0,0,0,1|0,0,2]=4 4343 B10R0.81 C=CCCC(=O)C(C)C(=O)C 1458a_100000749702_100000179758 [0,1,0,0,0,1|0,0,2]=4 4344 B10R0.81 CC(=O)C(C)C(=O)CCC#N 1458a_100011934036_100000179758 [0,1,0,0,0,1|1,0,1]=4 4345 B10R0.81 CC=CCC(=O)C(C)C(=O)C 1458a_100121576822_100000179758 [0,1,0,0,0,1|0,0,2]=4 4346 B10R0.81 CCC#CC(=O)C(C)C(=O)C 1458a_100011827653_100000179758 [0,1,0,0,0,1|0,0,2]=4 4347 B10R0.81 CCC=CC(=O)C(C)C(=O)C 1458a_100000212282_100000179758 [0,1,0,0,0,1|0,0,2]=4 4348 B10R0.81 CCCCC(=O)C(=O)N(C)C 1458a_100011218876_100000210211 [0,1,0,0,0,1|2,0,0]=4 4349 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,1|0,0,0]=2 4350 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,1,0,0,0,1|1,0,0]=3 4351 B10R0.81 CCCCC(=O)C(C)C(C)C 1458a_100000755409_100000210211 [0,1,0,0,0,1|1,0,1]=4 4352 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,1,0,0,0,1|1,0,0]=3 4353 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,1,0,0,0,1|1,0,0]=3 4354 B10R0.81 CCCCC(=O)N(C)C(C)C 11a_200000211004_100000210183 [0,1,0,0,0,1|1,0,1]=4 4355 B10R0.81 CCCCC(=O)N(C)C(C)C 1626a_200000211004_100000210183 [0,1,0,0,0,1|1,0,1]=4 4356 B10R0.81 CCCCC(=O)N(C)C(C)C 240690a_200000211004_100000210183 [0,1,0,0,0,1|1,0,1]=4 4357 B10R0.81 CCCCC(=O)N(C)C(C)C 527a_200000211004_100000210183 [0,1,0,0,0,1|1,0,1]=4 4358 B10R0.81 CCCCC(=O)[C@H](C)N(C)C 1458a_100009822176_100000210211 [0,1,0,0,0,1|2,0,0]=4 4359 B10R0.81 CCCCC(=O)[C@H](O)C(C)C 1458a_100000691806_100000210211 [0,1,0,0,0,1|1,0,1]=4 4360 B10R0.81 CCCCN(C)C(C)C(=O)C 2230a_100000207549_100009814033 [0,1,0,0,0,1|2,0,0]=4 4361 B10R0.81 CCCCN(C)C(C)C(=O)C 269982a_100000207549_100009814033 [0,1,0,0,0,1|2,0,0]=4 4362 B10R0.81 CCCNC(=O)C(C)C(=O)C 1458a_100000070787_100000230305 [0,1,0,0,0,1|1,0,0]=3 4363 B10R0.81 CCCOC(=O)C(C)C(=O)C 1458a_100000070787_100000760410 [0,1,0,0,0,1|1,0,0]=3 4364 B10R0.81 CCOCC(=O)C(C)C(=O)C 1458a_100000211967_100000179758 [0,1,0,0,0,1|1,0,0]=3 4365 B10R0.81 CCOCC(=O)C(C)C(=O)N 1458a_100000211967_100000702099 [0,1,0,0,0,1|2,0,0]=4 4366 B10R0.81 CCOCC(=O)C(F)C(=O)N 1458a_100000211967_100009813875 [0,1,0,0,0,1|2,0,0]=4 4367 B10R0.81 CCOCC(=O)C(F)C(=O)[O-] 1458a_100000211967_100020610796 [0,1,0,0,0,1|2,0,0]=4 4368 B10R0.81 CCSCC(=O)C(C)C(=O)C 1458a_100000230394_100000179758 [0,1,0,0,0,1|1,0,0]=3 4369 B10R0.81 CCSCC(=O)C(C)C(=O)N 1458a_100000230394_100000702099 [0,1,0,0,0,1|2,0,0]=4 4370 B10R0.81 CCSCC(=O)C(F)C(=O)N 1458a_100000230394_100009813875 [0,1,0,0,0,1|2,0,0]=4 4371 B10R0.81 CCSCC(=O)C(F)C(=O)[O-] 1458a_100000230394_100020610796 [0,1,0,0,0,1|2,0,0]=4 4372 B10R0.81 COCCC(=O)C(C)C(=O)C 1458a_100000749529_100000179758 [0,1,0,0,0,1|1,0,0]=3 4373 B10R0.81 COCCC(=O)C(C)C(=O)N 1458a_100000749529_100000702099 [0,1,0,0,0,1|2,0,0]=4 4374 B10R0.81 COCCC(=O)C(F)C(=O)N 1458a_100000749529_100009813875 [0,1,0,0,0,1|2,0,0]=4 4375 B10R0.81 COCCC(=O)C(F)C(=O)[O-] 1458a_100000749529_100020610796 [0,1,0,0,0,1|2,0,0]=4 4376 B10R0.81 CSCCC(=O)C(C)C(=O)C 1458a_100000174002_100000179758 [0,1,0,0,0,1|1,0,0]=3 4377 B10R0.81 CSCCC(=O)C(C)C(=O)N 1458a_100000174002_100000702099 [0,1,0,0,0,1|2,0,0]=4 4378 B10R0.81 CSCCC(=O)C(F)C(=O)N 1458a_100000174002_100009813875 [0,1,0,0,0,1|2,0,0]=4 4379 B10R0.81 CSCCC(=O)C(F)C(=O)[O-] 1458a_100000174002_100020610796 [0,1,0,0,0,1|2,0,0]=4 4380 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [0,1,0,0,0,1|1,0,1]=4 4381 B10R0.87 CCCC[C@@H](CO)NC(=O)C 240690a_100011934283_100015343762 [0,1,0,0,0,1|0,0,2]=4 4382 B10R0.87 CCCC[C@@H](CO)NC(=O)C 527a_100011934283_100103153847 [0,1,0,0,0,1|0,0,2]=4 4383 B10R0.96 C=C(C)CC(=O)CCC(C)C 1458a_100000181311_100000748629 [0,1,0,0,0,1|1,0,0]=3 4384 B10R0.96 C=C(C)CC(=O)CC[S+](C)C 1458a_100009452791_100000748629 [0,1,0,0,0,1|2,0,0]=4 4385 B10R0.96 C=C(C)CC(=O)COC(C)C 1458a_100000745533_100000748629 [0,1,0,0,0,1|2,0,0]=4 4386 B10R0.96 C=C(C)CC(=O)CSC(C)C 1458a_100000241585_100000748629 [0,1,0,0,0,1|2,0,0]=4 4387 B10R0.96 C=C(C)CCC(=O)C=C(C)C 1458a_100000211388_100000730704 [0,1,0,0,0,1|1,0,1]=4 4388 B10R0.96 C=C(C)CCC(=O)C=C(C)Cl 1458a_200042562850_100000730704 [0,1,0,0,0,1|1,0,1]=4 4389 B10R0.96 C=C(C)CCC(=O)C=C(C)I 1458a_100025716642_100000730704 [0,1,0,0,0,1|1,0,1]=4 4390 B10R0.96 C=C(C)CCC(=O)CC(=C)C 1458a_200000688413_100000748629 [0,1,0,0,0,1|1,0,1]=4 4391 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_100134613110_100000730704 [0,1,0,0,0,1|1,0,1]=4 4392 B10R0.96 C=C(C)CCC(=O)CC(=O)N 1458a_200000688413_100000187820 [0,1,0,0,0,1|1,0,1]=4 4393 B10R0.96 C=C(C)CCC(=O)CC(=O)[O-] 1458a_200000688413_100020667443 [0,1,0,0,0,1|1,0,1]=4 4394 B10R0.96 C=C(F)CC(=O)CCC(C)C 1458a_100000181311_100009893438 [0,1,0,0,0,1|1,0,1]=4 4395 B10R0.96 CC(=CC(=O)CCC(C)C)C 1458a_100000211388_100000210312 [0,1,0,0,0,1|1,0,0]=3 4396 B10R0.96 CC(=CC(=O)CCC(C)C)Cl 1458a_200042562850_100000210312 [0,1,0,0,0,1|1,0,0]=3 4397 B10R0.96 CC(=CC(=O)CCC(C)C)I 1458a_100025716642_100000210312 [0,1,0,0,0,1|1,0,0]=3 4398 B10R0.96 CC(=CC(=O)CCC(C)O)C 1458a_100000211388_100012276601 [0,1,0,0,0,1|1,0,0]=3 4399 B10R0.96 CC(=CC(=O)CCC(C)O)Cl 1458a_200042562850_100012276601 [0,1,0,0,0,1|1,0,0]=3 4400 B10R0.96 CC(=CC(=O)CCC(C)O)I 1458a_100025716642_100012276601 [0,1,0,0,0,1|1,0,0]=3 4401 B10R0.96 CC(=CC(=O)NCC(C)C)C 11a_100000210953_100000211388 [0,1,0,0,0,1|2,0,0]=4 4402 B10R0.96 CC(=CC(=O)NCC(C)C)C 1626a_100000210953_100000211388 [0,1,0,0,0,1|2,0,0]=4 4403 B10R0.96 CC(=CC(=O)NCC(C)C)C 240690a_100000210953_100000211388 [0,1,0,0,0,1|2,0,0]=4 4404 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 11a_100000210953_200042562850 [0,1,0,0,0,1|2,0,0]=4 4405 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 1626a_100000210953_200042562850 [0,1,0,0,0,1|2,0,0]=4 4406 B10R0.96 CC(=CC(=O)NCC(C)C)Cl 240690a_100000210953_200042562850 [0,1,0,0,0,1|2,0,0]=4 4407 B10R0.96 CC(=CC(=O)NCC(C)C)I 11a_100000210953_100025716642 [0,1,0,0,0,1|2,0,0]=4 4408 B10R0.96 CC(=CC(=O)NCC(C)C)I 1626a_100000210953_100025716642 [0,1,0,0,0,1|2,0,0]=4 4409 B10R0.96 CC(=CC(=O)NCC(C)O)C 11a_100000210904_100000211388 [0,1,0,0,0,1|2,0,0]=4 4410 B10R0.96 CC(=CC(=O)NCC(C)O)C 240690a_100000210904_100000211388 [0,1,0,0,0,1|2,0,0]=4 4411 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 11a_100000210904_200042562850 [0,1,0,0,0,1|2,0,0]=4 4412 B10R0.96 CC(=CC(=O)NCC(C)O)Cl 240690a_100000210904_200042562850 [0,1,0,0,0,1|2,0,0]=4 4413 B10R0.96 CC(=CC(=O)NCC(C)O)I 11a_100000210904_100025716642 [0,1,0,0,0,1|2,0,0]=4 4414 B10R0.96 CC(=O)CC(=O)NCC(C)C 1458a_100000070787_100000183291 [0,1,0,0,0,1|1,0,0]=3 4415 B10R0.96 CC(=O)NC(=O)CSC(C)C 62a_100000210206_100000183797 [0,1,0,0,0,1|1,0,0]=3 4416 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,1,0,0,0,1|1,0,1]=4 4417 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,1,0,0,0,1|1,0,1]=4 4418 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,1,0,0,0,1|1,0,1]=4 4419 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,1,0,0,0,1|1,0,1]=4 4420 B10R0.96 CC(C)CC(=O)CCC(C)O 1458a_100000210554_100012276601 [0,1,0,0,0,1|1,0,1]=4 4421 B10R0.96 CC(C)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210312 [0,1,0,0,0,1|2,0,0]=4 4422 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,1|1,0,0]=3 4423 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,1|1,0,0]=3 4424 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,1|1,0,0]=3 4425 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000181311_100000210624 [0,1,0,0,0,1|1,0,1]=4 4426 B10R0.96 CC(C)CCC(=O)CC(C)C 1458a_100000210554_100000210312 [0,1,0,0,0,1|1,0,1]=4 4427 B10R0.96 CC(C)CCC(=O)CC(C)O 1458a_100000181311_100011218427 [0,1,0,0,0,1|0,0,2]=4 4428 B10R0.96 CC(C)CCC(=O)CN(C)C 1458a_100000750896_100000210312 [0,1,0,0,0,1|2,0,0]=4 4429 B10R0.96 CC(C)CCC(=O)C[C@@H](C)O 1458a_100011933948_100000210312 [0,1,0,0,0,1|0,0,2]=4 4430 B10R0.96 CC(C)CCC(=O)C[N+](=O)[O-] 1458a_100000181311_100000761209 [0,1,0,0,0,1|2,0,0]=4 4431 B10R0.96 CC(C)CCC(=O)C[S+](C)C 1458a_200159257847_100000210312 [0,1,0,0,0,1|2,0,0]=4 4432 B10R0.96 CC(C)CCC(=O)NC(C)C 11a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 4433 B10R0.96 CC(C)CCC(=O)NC(C)C 1626a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 4434 B10R0.96 CC(C)CCC(=O)NC(C)C 240690a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 4435 B10R0.96 CC(C)CCC(=O)NC(C)C 527a_100138425928_100000181311 [0,1,0,0,0,1|1,0,1]=4 4436 B10R0.96 CC(C)CNC(=O)CC(=O)N 240690a_100000210953_100134613110 [0,1,0,0,0,1|2,0,0]=4 4437 B10R0.96 CC(C)CNC(=O)CC(=O)N 527a_100000210953_100134613110 [0,1,0,0,0,1|2,0,0]=4 4438 B10R0.96 CC(C)NCC(=O)NC(=O)N 2230a_100138425928_100000182717 [0,1,0,0,0,1|2,0,0]=4 4439 B10R0.96 CC(C)OCC(=O)CC(=O)N 1458a_100000745533_100000187820 [0,1,0,0,0,1|2,0,0]=4 4440 B10R0.96 CC(C)OCC(=O)CC(=O)[O-] 1458a_100000745533_100020667443 [0,1,0,0,0,1|2,0,0]=4 4441 B10R0.96 CC(C)SCC(=O)CC(=O)N 1458a_100000241585_100000187820 [0,1,0,0,0,1|2,0,0]=4 4442 B10R0.96 CC(C)SCC(=O)CC(=O)[O-] 1458a_100000241585_100020667443 [0,1,0,0,0,1|2,0,0]=4 4443 B10R0.96 CC(C)SCC(=O)NC(=O)N 62a_100000210206_100000182717 [0,1,0,0,0,1|2,0,0]=4 4444 B10R0.96 CC(O)CCC(=O)C=C(Cl)Cl 1458a_100000137448_100012276601 [0,1,0,0,0,1|2,0,0]=4 4445 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,1,0,0,0,1|1,0,0]=3 4446 B10R0.96 CC(O)CCC(=O)CN(C)C 1458a_100000750896_100012276601 [0,1,0,0,0,1|2,0,0]=4 4447 B10R0.96 CC(O)CCC(=O)C[C@@H](C)O 1458a_100011933948_100012276601 [0,1,0,0,0,1|0,0,2]=4 4448 B10R0.96 CC(O)CCC(=O)C[S+](C)C 1458a_200159257847_100012276601 [0,1,0,0,0,1|2,0,0]=4 4449 B10R0.96 CC(O)CCC(=O)NC(C)C 1626a_100138425928_100000718519 [0,1,0,0,0,1|1,0,1]=4 4450 B10R0.96 CC(O)CNC(=O)CC(=O)N 240690a_100000210904_100134613110 [0,1,0,0,0,1|2,0,0]=4 4451 B10R0.96 CC(O)CNC(=O)CC(=O)N 527a_100000210904_100134613110 [0,1,0,0,0,1|2,0,0]=4 4452 B10R0.96 CN(C)CCC(=O)NC(=O)N 2230a_100102631434_100000237605 [0,1,0,0,0,1|2,0,0]=4 4453 B10R0.96 CN(C)CCC(=O)NC(=O)N 269982a_100102631434_100000237605 [0,1,0,0,0,1|2,0,0]=4 4454 B10R0.96 C[S+](C)CCC(=O)CC(=O)N 1458a_100009452791_100000187820 [0,1,0,0,0,1|2,0,0]=4 4455 B10R0.96 C[S+](C)CCC(=O)CC(=O)[O-] 1458a_100009452791_100020667443 [0,1,0,0,0,1|2,0,0]=4 4456 B10R0.122 CCCCS(=O)(=O)NC(=O)C 2740a_100000178431_100015343762 [0,1,0,0,0,1|1,0,0]=3 4457 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [0,1,0,0,0,1|1,1,0]=4 4458 B10R0.5 CC(C)(C)C(=O)CCCCF 1458a_106744555173_100000729493 [0,2,0,0,0,0|1,0,1]=4 4459 B10R0.5 CC(C)(C)C(=O)CCCCO 1458a_106744555173_100000210776 [0,2,0,0,0,0|1,0,1]=4 4460 B10R0.5 CC(C)(F)C(=O)CCCCF 1458a_100000765255_100000729493 [0,2,0,0,0,0|1,0,1]=4 4461 B10R0.5 CC(C)(F)C(=O)CCCCO 1458a_100000765255_100000210776 [0,2,0,0,0,0|1,0,1]=4 4462 B10R0.5 CC(C)(O)C(=O)CCCCF 1458a_100000242741_100000729493 [0,2,0,0,0,0|0,0,2]=4 4463 B10R0.5 CC(C)(O)C(=O)CCCCO 1458a_100000242741_100000210776 [0,2,0,0,0,0|0,0,2]=4 4464 B10R0.5 CCCCCC(=O)C(C)(C)C 1458a_106744555173_100000210326 [0,2,0,0,0,0|1,0,1]=4 4465 B10R0.5 CCCCCC(=O)C(C)(C)F 1458a_100000765255_100000210326 [0,2,0,0,0,0|1,0,1]=4 4466 B10R0.5 CCCCCC(=O)C(C)(C)O 1458a_100000242741_100000210326 [0,2,0,0,0,0|0,0,2]=4 4467 B10R0.5 CCCCNC(=O)C(C)(C)C 11a_100000102301_106744555173 [0,2,0,0,0,0|1,0,1]=4 4468 B10R0.5 CCCCNC(=O)C(C)(C)C 1626a_100000102301_106744555173 [0,2,0,0,0,0|1,0,1]=4 4469 B10R0.5 CCCCNC(=O)C(C)(C)C 240690a_100000102301_106744555173 [0,2,0,0,0,0|1,0,1]=4 4470 B10R0.5 CCCCNC(=O)C(C)(C)C 527a_100000102301_106744555173 [0,2,0,0,0,0|1,0,1]=4 4471 B10R0.5 CCCCNC(=O)C(C)(C)F 11a_100000102301_100000765255 [0,2,0,0,0,0|1,0,1]=4 4472 B10R0.5 CCCCNC(=O)C(C)(C)F 1626a_100000102301_100000765255 [0,2,0,0,0,0|1,0,1]=4 4473 B10R0.5 CCCCNC(=O)C(C)(C)F 240690a_100000102301_100000765255 [0,2,0,0,0,0|1,0,1]=4 4474 B10R0.5 CCCCNC(=O)C(C)(C)F 527a_100000102301_100000765255 [0,2,0,0,0,0|1,0,1]=4 4475 B10R0.5 CCCCNC(=O)C(C)(C)O 240690a_100000102301_100000242741 [0,2,0,0,0,0|0,0,2]=4 4476 B10R0.5 CCCCNC(=O)C(C)(F)F 11a_100000102301_100000042251 [0,2,0,0,0,0|1,0,1]=4 4477 B10R0.5 CCCCNC(=O)C(C)(F)F 1626a_100000102301_100000042251 [0,2,0,0,0,0|1,0,1]=4 4478 B10R0.5 CCCCNC(=O)C(C)(F)F 240690a_100000102301_100000042251 [0,2,0,0,0,0|1,0,1]=4 4479 B10R0.5 CCCCNC(=O)C(C)(F)F 527a_100000102301_100000042251 [0,2,0,0,0,0|1,0,1]=4 4480 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_100000210258_100000229897 [0,2,0,0,0,0|1,0,1]=4 4481 B10R0.5 CCCOCC(=O)C(C)(C)C 34a_200011592769_100000210303 [0,2,0,0,0,0|1,0,1]=4 4482 B10R0.5 CCCOCC(=O)C(C)(C)C 7a_200011592769_100000210303 [0,2,0,0,0,0|1,0,1]=4 4483 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210303_100000210923 [0,2,0,0,0,0|1,0,1]=4 4484 B10R0.5 CCCSCC(=O)C(C)(C)C 62a_100000210923_100000210303 [0,2,0,0,0,0|1,0,1]=4 4485 B10R0.5 CCOCCC(=O)C(C)(C)C 1458a_106744555173_100011215890 [0,2,0,0,0,0|1,0,1]=4 4486 B10R0.5 CCOCCC(=O)C(C)(C)F 1458a_100000765255_100011215890 [0,2,0,0,0,0|1,0,1]=4 4487 B10R0.5 CCOCCC(=O)C(C)(C)O 1458a_100000242741_100011215890 [0,2,0,0,0,0|0,0,2]=4 4488 B10R0.5 CCSCCC(=O)C(C)(C)C 1458a_106744555173_100000757381 [0,2,0,0,0,0|1,0,1]=4 4489 B10R0.5 CCSCCC(=O)C(C)(C)F 1458a_100000765255_100000757381 [0,2,0,0,0,0|1,0,1]=4 4490 B10R0.5 CCSCCC(=O)C(C)(C)O 1458a_100000242741_100000757381 [0,2,0,0,0,0|0,0,2]=4 4491 B10R0.5 COCCCC(=O)C(C)(C)C 1458a_106744555173_100000740836 [0,2,0,0,0,0|1,0,1]=4 4492 B10R0.5 COCCCC(=O)C(C)(C)F 1458a_100000765255_100000740836 [0,2,0,0,0,0|1,0,1]=4 4493 B10R0.5 COCCCC(=O)C(C)(C)O 1458a_100000242741_100000740836 [0,2,0,0,0,0|0,0,2]=4 4494 B10R0.12 CC(C)CCC(=O)C(C)(C)C 1458a_106744555173_100000210312 [0,2,0,0,0,0|1,0,1]=4 4495 B10R0.12 CC(C)CCC(=O)C(C)(C)F 1458a_100000765255_100000210312 [0,2,0,0,0,0|1,0,1]=4 4496 B10R0.12 CC(C)CCC(=O)C(C)(C)O 1458a_100000242741_100000210312 [0,2,0,0,0,0|0,0,2]=4 4497 B10R0.12 CC(O)CCC(=O)C(C)(C)C 1458a_106744555173_100012276601 [0,2,0,0,0,0|1,0,1]=4 4498 B10R0.12 CC(O)CCC(=O)C(C)(C)F 1458a_100000765255_100012276601 [0,2,0,0,0,0|1,0,1]=4 4499 B10R0.12 CC(O)CCC(=O)C(C)(C)O 1458a_100000242741_100012276601 [0,2,0,0,0,0|0,0,2]=4 4500 B10R0.40 C#CC(C)(C)C(=O)CCCC 1458a_100000079900_100000210211 [0,2,0,0,0,0|1,0,1]=4 4501 B10R0.40 C#CC(C)(C)C(=O)CCCC 1458a_100000210183_100000038118 [0,2,0,0,0,0|1,0,1]=4 4502 B10R0.40 C=CC(C)(C)C(=O)CCCC 1458a_100012027013_100000210211 [0,2,0,0,0,0|1,0,1]=4 4503 B10R0.40 CCCCC(=O)C(C)(C)C#N 1458a_100000740761_100000210211 [0,2,0,0,0,0|1,0,1]=4 4504 B10R0.40 CCCCC(=O)C(C)(C)CC 1458a_100000749717_100000210211 [0,2,0,0,0,0|1,0,1]=4 4505 B10R0.40 CCCCC(=O)C(C)(C)CF 1458a_100000138116_100000210211 [0,2,0,0,0,0|1,0,1]=4 4506 B10R0.40 CCCCC(=O)C(C)(C)CO 1458a_100000749806_100000210211 [0,2,0,0,0,0|0,0,2]=4 4507 B10R0.40 CCCCC(=O)C(C)(C)OC 1458a_100000753492_100000210211 [0,2,0,0,0,0|0,0,2]=4 4508 B10R0.40 CCCCC(=O)C(C)(O)CC 1458a_100011219770_100000210211 [0,2,0,0,0,0|0,0,2]=4 4509 B10R0.40 CCCCC(=O)C(F)(F)CC 1458a_100000061896_100000210211 [0,2,0,0,0,0|1,0,1]=4 4510 B10R0.52 CCC(C)CC(=O)C(C)(C)C 1458a_106744555173_100000748023 [0,2,0,0,0,0|1,0,1]=4 4511 B10R0.52 CCC(C)CC(=O)C(C)(C)F 1458a_100000765255_100000748023 [0,2,0,0,0,0|1,0,1]=4 4512 B10R0.52 CCC(C)CC(=O)C(C)(C)O 1458a_100000242741_100000748023 [0,2,0,0,0,0|0,0,2]=4 4513 B10R0.52 CCC(O)CC(=O)C(C)(C)C 1458a_106744555173_100011218378 [0,2,0,0,0,0|1,0,1]=4 4514 B10R0.52 CCC(O)CC(=O)C(C)(C)F 1458a_100000765255_100011218378 [0,2,0,0,0,0|1,0,1]=4 4515 B10R0.52 CCC(O)CC(=O)C(C)(C)O 1458a_100000242741_100011218378 [0,2,0,0,0,0|0,0,2]=4 4516 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)C 1458a_106744555173_100009816398 [0,2,0,0,0,0|1,0,1]=4 4517 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)F 1458a_100000765255_100009816398 [0,2,0,0,0,0|1,0,1]=4 4518 B10R0.52 CC[C@H](C)CC(=O)C(C)(C)O 1458a_100000242741_100009816398 [0,2,0,0,0,0|0,0,2]=4 4519 B10R0.100 CCCC(C)C(=O)C(C)(C)C 1458a_106744555173_100000766640 [0,2,0,0,0,0|1,0,1]=4 4520 B10R0.100 CCCC(C)C(=O)C(C)(C)F 1458a_100000765255_100000766640 [0,2,0,0,0,0|1,0,1]=4 4521 B10R0.100 CCCC(C)C(=O)C(C)(C)O 1458a_100000242741_100000766640 [0,2,0,0,0,0|0,0,2]=4 4522 B10R0.13 C=C(C)C(=O)C(C)CC(C)C 1458a_100000185857_100000731052 [0,2,0,0,0,0|1,0,0]=3 4523 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 11a_100000747067_100000185857 [0,2,0,0,0,0|2,0,0]=4 4524 B10R0.13 C=C(C)C(=O)N(C)CC(C)C 1626a_100000747067_100000185857 [0,2,0,0,0,0|2,0,0]=4 4525 B10R0.13 CC(=O)N(C)C(C)CC(C)C 11a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 4526 B10R0.13 CC(=O)N(C)C(C)CC(C)C 1626a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 4527 B10R0.13 CC(=O)N(C)C(C)CC(C)C 240690a_100000745462_100015343762 [0,2,0,0,0,0|2,0,0]=4 4528 B10R0.13 CC(=O)N(C)C(C)CC(C)C 527a_100000745462_100103153847 [0,2,0,0,0,0|2,0,0]=4 4529 B10R0.13 CC(C)CC(C)C(=O)C(C)C 1458a_100000210198_100000731052 [0,2,0,0,0,0|1,0,1]=4 4530 B10R0.13 CC(C)CC(C)C(=O)C(C)F 1458a_100000062450_100000731052 [0,2,0,0,0,0|1,0,1]=4 4531 B10R0.13 CC(C)CC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000731052 [0,2,0,0,0,0|0,0,2]=4 4532 B10R0.13 CC(C)CC(C)C(=O)[C@H](C)O 1458a_217856618621_100000731052 [0,2,0,0,0,0|0,0,2]=4 4533 B10R0.13 CC(C)CN(C)C(=O)C(=O)N 240690a_100000747067_100011215815 [0,2,0,0,0,0|2,0,0]=4 4534 B10R0.13 CC(C)C[C@H](O)C(=O)C(C)C 1458a_100012027011_100000210206 [0,2,0,0,0,0|1,0,1]=4 4535 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 1626a_100102631434_100012027011 [0,2,0,0,0,0|2,0,0]=4 4536 B10R0.13 CC(C)C[C@H](O)C(=O)N(C)C 240690a_100102631434_100012027011 [0,2,0,0,0,0|2,0,0]=4 4537 B10R0.13 CC(O)CN(C)C(=O)C(=O)N 240690a_100000227577_100011215815 [0,2,0,0,0,0|2,0,0]=4 4538 B10R0.25 C=C(C)C(=O)C(CC)CCC 1458a_100000185857_100011219200 [0,2,0,0,0,0|1,0,0]=3 4539 B10R0.25 C=C(C)C(=O)N(CC)CCC 11a_100000226822_100000185857 [0,2,0,0,0,0|2,0,0]=4 4540 B10R0.25 C=C(C)C(=O)N(CC)CCC 1626a_100000226822_100000185857 [0,2,0,0,0,0|2,0,0]=4 4541 B10R0.25 CCCC(C#N)N(C)C(=O)C 11a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 4542 B10R0.25 CCCC(C#N)N(C)C(=O)C 1626a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 4543 B10R0.25 CCCC(C#N)N(C)C(=O)C 240690a_100000727963_100015343762 [0,2,0,0,0,0|2,0,0]=4 4544 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100000210198_100011219200 [0,2,0,0,0,0|1,0,1]=4 4545 B10R0.25 CCCC(CC)C(=O)C(C)C 1458a_100011416436_100000210206 [0,2,0,0,0,0|1,0,1]=4 4546 B10R0.25 CCCC(CC)C(=O)C(C)F 1458a_100000062450_100011219200 [0,2,0,0,0,0|1,0,1]=4 4547 B10R0.25 CCCC(CC)C(=O)N(C)C 11a_100102631434_100011416436 [0,2,0,0,0,0|2,0,0]=4 4548 B10R0.25 CCCC(CC)C(=O)N(C)C 1626a_100102631434_100011416436 [0,2,0,0,0,0|2,0,0]=4 4549 B10R0.25 CCCC(CC)C(=O)N(C)C 240690a_100102631434_100011416436 [0,2,0,0,0,0|2,0,0]=4 4550 B10R0.25 CCCC(CC)C(=O)N(C)C 527a_100102631434_100011416436 [0,2,0,0,0,0|2,0,0]=4 4551 B10R0.25 CCCC(CC)C(=O)[C@@H](C)O 1458a_100000717761_100011219200 [0,2,0,0,0,0|0,0,2]=4 4552 B10R0.25 CCCC(CC)C(=O)[C@H](C)O 1458a_217856618621_100011219200 [0,2,0,0,0,0|0,0,2]=4 4553 B10R0.25 CCCN(CC)C(=O)C(=O)N 240690a_100000226822_100011215815 [0,2,0,0,0,0|2,0,0]=4 4554 B10R0.35 C#CC(C)C(=O)C(C)CCC 1458a_100000210906_200000035995 [0,2,0,0,0,0|1,0,1]=4 4555 B10R0.35 C#CC(C)C(=O)[C@@H](O)CCC 1458a_100009822183_200000035995 [0,2,0,0,0,0|1,0,1]=4 4556 B10R0.35 C/C=C(\C)/C(=O)C(C)CCC 1458a_100020587367_100000766640 [0,2,0,0,0,0|1,0,0]=3 4557 B10R0.35 C/C=C(\C)/C(=O)C(C)CCO 1458a_100020587367_100009893172 [0,2,0,0,0,0|2,0,0]=4 4558 B10R0.35 C/C=C(\C)/C(=O)C(C)COC 1458a_100020587367_100000765312 [0,2,0,0,0,0|2,0,0]=4 4559 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 11a_100000747261_100020587367 [0,2,0,0,0,0|2,0,0]=4 4560 B10R0.35 C/C=C(\C)/C(=O)N(C)CCC 1626a_100000747261_100020587367 [0,2,0,0,0,0|2,0,0]=4 4561 B10R0.35 C=CC(C)C(=O)C(C)CCC 1458a_100011216780_100000766640 [0,2,0,0,0,0|1,0,1]=4 4562 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|0,0,0]=2 4563 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000210906_100000703298 [0,2,0,0,0,0|1,0,1]=4 4564 B10R0.35 CCCC(C)C(=O)C(C)C#N 1458a_100000753662_100000766640 [0,2,0,0,0,0|1,0,1]=4 4565 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100000210906_100000758301 [0,2,0,0,0,0|1,0,1]=4 4566 B10R0.35 CCCC(C)C(=O)C(C)CC 1458a_100011192722_100000766640 [0,2,0,0,0,0|1,0,1]=4 4567 B10R0.35 CCCC(C)C(=O)C(C)OC 1458a_100000743197_100000766640 [0,2,0,0,0,0|0,0,2]=4 4568 B10R0.35 CCCC(C)C(=O)C(C)SC 1458a_100000149566_100000766640 [0,2,0,0,0,0|0,1,1]=4 4569 B10R0.35 CCCC(C)C(=O)C(O)CC 1458a_100011196387_100000766640 [0,2,0,0,0,0|0,0,2]=4 4570 B10R0.35 CCCC(C)C(=O)C(O)CO 1458a_100011215603_100000766640 [0,2,0,0,0,0|0,0,2]=4 4571 B10R0.35 CCCC(C)C(=O)N(C)CC 11a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 4572 B10R0.35 CCCC(C)C(=O)N(C)CC 1626a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 4573 B10R0.35 CCCC(C)C(=O)N(C)CC 240690a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 4574 B10R0.35 CCCC(C)C(=O)N(C)CC 527a_100000225621_100000210906 [0,2,0,0,0,0|2,0,0]=4 4575 B10R0.35 CCCN(C)C(=O)C(=O)NC 1626a_100000747261_100011218921 [0,2,0,0,0,0|1,0,0]=3 4576 B10R0.35 CCCN(C)C(=O)C(=O)NC 240690a_100000747261_100011218921 [0,2,0,0,0,0|1,0,0]=3 4577 B10R0.35 CCCN(C)C(=O)C(=O)NC 527a_100000747261_100011218921 [0,2,0,0,0,0|1,0,0]=3 4578 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 4579 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 4580 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 4581 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|1,0,0]=3 4582 B10R0.35 CCC[C@H](O)C(=O)C(C)C#N 1458a_100009822183_100000703298 [0,2,0,0,0,0|1,0,1]=4 4583 B10R0.35 CCC[C@H](O)C(=O)C(C)CC 1458a_100009822183_100000758301 [0,2,0,0,0,0|1,0,1]=4 4584 B10R0.35 CCC[C@H](O)C(=O)N(C)CC 240690a_100000225621_100009822183 [0,2,0,0,0,0|2,0,0]=4 4585 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|1,0,0]=3 4586 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|1,0,0]=3 4587 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|1,0,0]=3 4588 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|1,0,0]=3 4589 B10R0.35 CNC(=O)C(=O)C(C)CC#N 1458a_100011218921_100009813641 [0,2,0,0,0,0|1,0,1]=4 4590 B10R0.35 CNC(=O)C(=O)C(C)CCO 1458a_100011218921_100009893172 [0,2,0,0,0,0|1,0,0]=3 4591 B10R0.35 CNC(=O)C(=O)C(C)COC 1458a_100011218921_100000765312 [0,2,0,0,0,0|1,0,0]=3 4592 B10R0.35 CNC(=O)C(=O)N(C)CCO 240690a_100000210263_100011218921 [0,2,0,0,0,0|2,0,0]=4 4593 B10R0.35 CNC(=O)C(=O)N(C)CCO 527a_100000210263_100011218921 [0,2,0,0,0,0|2,0,0]=4 4594 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100000692041_100015361967 [0,2,0,0,0,0|2,0,0]=4 4595 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100015361967_100000692041 [0,2,0,0,0,0|2,0,0]=4 4596 B10R0.35 COC(=O)C(=O)N(C)CCO 240690a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 4597 B10R0.35 COC(=O)C(=O)N(C)CCO 527a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 4598 B10R0.56 C=C(C)C(=O)C(C)C(=O)CC 1458a_100000185857_100000742827 [0,2,0,0,0,0|1,0,1]=4 4599 B10R0.56 C=C(C)C(=O)N(C)C(C)CC 11a_100000741768_100000185857 [0,2,0,0,0,0|2,0,0]=4 4600 B10R0.56 C=C(C)C(=O)N(C)C(C)CC 1626a_100000741768_100000185857 [0,2,0,0,0,0|2,0,0]=4 4601 B10R0.56 CCC(C)N(C)C(=O)C(=O)N 240690a_100000741768_100011215815 [0,2,0,0,0,0|2,0,0]=4 4602 B10R0.104 CCCC(C)(C)C(=O)C(C)C 1458a_100011215034_100000210206 [0,2,0,0,0,0|1,0,1]=4 4603 B10R0.104 CCCC(C)(C)C(=O)N(C)C 11a_100102631434_100011215034 [0,2,0,0,0,0|2,0,0]=4 4604 B10R0.104 CCCC(C)(C)C(=O)N(C)C 1626a_100102631434_100011215034 [0,2,0,0,0,0|2,0,0]=4 4605 B10R0.104 CCCC(C)(C)C(=O)N(C)C 240690a_100102631434_100011215034 [0,2,0,0,0,0|2,0,0]=4 4606 B10R0.104 CCCC(C)(C)C(=O)N(C)C 527a_100102631434_100011215034 [0,2,0,0,0,0|2,0,0]=4 4607 B10R0.43 CC(=O)C(C)(C)CCC(C)C 1458a_100000070787_200000037585 [0,2,0,0,0,0|1,0,1]=4 4608 B10R0.57 C#CC(C)C(=O)CCC(C)C 1458a_100000181311_200000035995 [0,2,0,0,0,0|1,0,1]=4 4609 B10R0.57 C/C=C(\C)/C(=O)CCC(C)C 1458a_100020587367_100000210312 [0,2,0,0,0,0|1,0,0]=3 4610 B10R0.57 C/C=C(\C)/C(=O)CCC(C)O 1458a_100020587367_100012276601 [0,2,0,0,0,0|1,0,0]=3 4611 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 11a_100000210953_100020587367 [0,2,0,0,0,0|2,0,0]=4 4612 B10R0.57 C/C=C(\C)/C(=O)NCC(C)C 1626a_100000210953_100020587367 [0,2,0,0,0,0|2,0,0]=4 4613 B10R0.57 C/C=C(\C)/C(=O)NCC(C)O 11a_100000210904_100020587367 [0,2,0,0,0,0|2,0,0]=4 4614 B10R0.57 C=C(C)CCC(=O)/C(=C/C)/C 1458a_100020587367_100000730704 [0,2,0,0,0,0|1,0,1]=4 4615 B10R0.57 C=C(C)CCC(=O)C(=O)NC 1458a_100011218921_100000730704 [0,2,0,0,0,0|0,0,1]=3 4616 B10R0.57 C=C(C)CNC(=O)C(=O)NC 1626a_100000765925_100011218921 [0,2,0,0,0,0|1,0,1]=4 4617 B10R0.57 C=C(C)CNC(=O)C(=O)NC 240690a_100000765925_100011218921 [0,2,0,0,0,0|1,0,1]=4 4618 B10R0.57 C=C(C)CNC(=O)C(=O)NC 527a_100000765925_100011218921 [0,2,0,0,0,0|1,0,1]=4 4619 B10R0.57 C=C(C)CNC(=O)C(=O)OC 11a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 4620 B10R0.57 C=C(C)CNC(=O)C(=O)OC 1626a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 4621 B10R0.57 C=C(C)CNC(=O)C(=O)OC 240690a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 4622 B10R0.57 C=C(C)CNC(=O)C(=O)OC 527a_100000765925_100000024059 [0,2,0,0,0,0|1,0,1]=4 4623 B10R0.57 C=C(CNC(C)C)C(=O)OC 34a_100138425928_100009813391 [0,2,0,0,0,0|2,0,0]=4 4624 B10R0.57 C=C(COC(C)C)C(=O)OC 34a_100000212225_100009813391 [0,2,0,0,0,0|2,0,0]=4 4625 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100000210206_100009813391 [0,2,0,0,0,0|2,0,0]=4 4626 B10R0.57 C=C(CSC(C)C)C(=O)OC 62a_100009813391_100000210206 [0,2,0,0,0,0|2,0,0]=4 4627 B10R0.57 C=CC(C)C(=O)CCC(C)C 1458a_100011216780_100000210312 [0,2,0,0,0,0|1,0,1]=4 4628 B10R0.57 C=CC(C)C(=O)CCC(C)O 1458a_100011216780_100012276601 [0,2,0,0,0,0|1,0,1]=4 4629 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000181311_100000703298 [0,2,0,0,0,0|1,0,1]=4 4630 B10R0.57 CC(C)CCC(=O)C(C)C#N 1458a_100000753662_100000210312 [0,2,0,0,0,0|1,0,1]=4 4631 B10R0.57 CC(C)CCC(=O)C(O)CO 1458a_100011215603_100000210312 [0,2,0,0,0,0|0,0,2]=4 4632 B10R0.57 CC(C)CCC(C)C(=O)CO 1458a_100000210174_100011261404 [0,2,0,0,0,0|1,0,1]=4 4633 B10R0.57 CC(C)CCN(C)C(=O)CO 240690a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 4634 B10R0.57 CC(C)CCN(C)C(=O)CO 527a_100000742789_100000210174 [0,2,0,0,0,0|2,0,0]=4 4635 B10R0.57 CC(C)CNC(=O)C(=O)CF 1458a_200011297155_100015361967 [0,2,0,0,0,0|1,0,0]=3 4636 B10R0.57 CC(O)CCC(=O)C(C)C#N 1458a_100000753662_100012276601 [0,2,0,0,0,0|1,0,1]=4 4637 B10R0.57 CC(O)CCC(=O)C(O)CO 1458a_100011215603_100012276601 [0,2,0,0,0,0|0,0,2]=4 4638 B10R0.57 CCC(=O)C(=O)NCC(C)C 1458a_200011297155_100000210202 [0,2,0,0,0,0|1,0,0]=3 4639 B10R0.57 CCC(=O)C(C)CCC(C)C 1458a_100000210414_100011261404 [0,2,0,0,0,0|1,0,1]=4 4640 B10R0.57 CCC(=O)N(C)CCC(C)C 11a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 4641 B10R0.57 CCC(=O)N(C)CCC(C)C 1626a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 4642 B10R0.57 CCC(=O)N(C)CCC(C)C 240690a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 4643 B10R0.57 CCC(=O)N(C)CCC(C)C 527a_100000742789_100000210414 [0,2,0,0,0,0|2,0,0]=4 4644 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100000181311_100000758301 [0,2,0,0,0,0|1,0,1]=4 4645 B10R0.57 CCC(C)C(=O)CCC(C)C 1458a_100011192722_100000210312 [0,2,0,0,0,0|1,0,1]=4 4646 B10R0.57 CCC(C)C(=O)CCC(C)O 1458a_100011192722_100012276601 [0,2,0,0,0,0|1,0,1]=4 4647 B10R0.57 CCC(O)C(=O)CCC(C)C 1458a_100011196387_100000210312 [0,2,0,0,0,0|0,0,2]=4 4648 B10R0.57 CCC(O)C(=O)CCC(C)O 1458a_100011196387_100012276601 [0,2,0,0,0,0|0,0,2]=4 4649 B10R0.57 CCN(C)C(=O)CCC(C)C 11a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 4650 B10R0.57 CCN(C)C(=O)CCC(C)C 1626a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 4651 B10R0.57 CCN(C)C(=O)CCC(C)C 240690a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 4652 B10R0.57 CCN(C)C(=O)CCC(C)C 527a_100000225621_100000181311 [0,2,0,0,0,0|2,0,0]=4 4653 B10R0.57 CCN(C)C(=O)CCC(C)O 1626a_100000225621_100000718519 [0,2,0,0,0,0|2,0,0]=4 4654 B10R0.57 CNC(=O)C(=O)CC=C(C)C 1458a_100011218921_100000761012 [0,2,0,0,0,0|0,0,2]=4 4655 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|0,0,0]=2 4656 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|0,0,0]=2 4657 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100000210953_100011218921 [0,2,0,0,0,0|1,0,0]=3 4658 B10R0.57 CNC(=O)C(=O)NCC(C)C 1626a_100102657272_200011297155 [0,2,0,0,0,0|1,0,0]=3 4659 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100000210953_100011218921 [0,2,0,0,0,0|1,0,0]=3 4660 B10R0.57 CNC(=O)C(=O)NCC(C)C 240690a_100102657272_200011297155 [0,2,0,0,0,0|1,0,0]=3 4661 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100000210953_100011218921 [0,2,0,0,0,0|1,0,0]=3 4662 B10R0.57 CNC(=O)C(=O)NCC(C)C 527a_100102657272_200011297155 [0,2,0,0,0,0|1,0,0]=3 4663 B10R0.57 CNC(=O)C(=O)NCC(C)O 240690a_100000210904_100011218921 [0,2,0,0,0,0|1,0,0]=3 4664 B10R0.57 CNC(=O)C(=O)NCC(C)O 527a_100000210904_100011218921 [0,2,0,0,0,0|1,0,0]=3 4665 B10R0.57 CNC(=O)C(=O)NCC(F)F 1626a_100000765723_100011218921 [0,2,0,0,0,0|2,0,0]=4 4666 B10R0.57 CNC(=O)C(=O)NCC(F)F 240690a_100000765723_100011218921 [0,2,0,0,0,0|2,0,0]=4 4667 B10R0.57 CNC(=O)C(=O)NCC(F)F 527a_100000765723_100011218921 [0,2,0,0,0,0|2,0,0]=4 4668 B10R0.57 CNC(=O)C(=O)NNC(C)C 22a_100000741168_100011218921 [0,2,0,0,0,0|2,0,0]=4 4669 B10R0.57 CNC(=O)N(C)CCC(C)C 2708a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 4670 B10R0.57 CNC(=O)N(C)CCC(C)C 273464a_100102657272_100000742789 [0,2,0,0,0,0|2,0,0]=4 4671 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|1,0,0]=3 4672 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|1,0,0]=3 4673 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|1,0,0]=3 4674 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|1,0,0]=3 4675 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 4676 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 4677 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 4678 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|1,0,0]=3 4679 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 4680 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 4681 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|1,0,0]=3 4682 B10R0.57 COC(=O)C(=O)NCC(F)F 11a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 4683 B10R0.57 COC(=O)C(=O)NCC(F)F 1626a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 4684 B10R0.57 COC(=O)C(=O)NCC(F)F 240690a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 4685 B10R0.57 COC(=O)C(=O)NCC(F)F 527a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 4686 B10R0.57 COC(C)C(=O)CCC(C)C 1458a_100000743197_100000210312 [0,2,0,0,0,0|0,0,2]=4 4687 B10R0.57 COC(C)C(=O)CCC(C)O 1458a_100000743197_100012276601 [0,2,0,0,0,0|0,0,2]=4 4688 B10R0.57 CSC(C)C(=O)CCC(C)C 1458a_100000149566_100000210312 [0,2,0,0,0,0|0,1,1]=4 4689 B10R0.57 CSC(C)C(=O)CCC(C)O 1458a_100000149566_100012276601 [0,2,0,0,0,0|0,1,1]=4 4690 B10R0.82 C#CC(C)NCC(=O)C(=O)C 34a_100000707721_100011261029 [0,2,0,0,0,0|1,0,0]=3 4691 B10R0.82 C#CC(C)SCC(=O)C(=O)C 62a_200000035995_100011261029 [0,2,0,0,0,0|1,0,0]=3 4692 B10R0.82 C#C[C@@H](C)OCC(=O)C(=O)C 34a_100009815206_100011261029 [0,2,0,0,0,0|1,0,0]=3 4693 B10R0.82 C=C(Br)C(=O)NCC(C)CC 11a_100020588543_100009813364 [0,2,0,0,0,0|1,0,1]=4 4694 B10R0.82 C=C(Br)C(=O)NCC(C)CC 1626a_100020588543_100009813364 [0,2,0,0,0,0|1,0,1]=4 4695 B10R0.82 C=C(Br)C(=O)NCC(O)CC 11a_100011218483_100009813364 [0,2,0,0,0,0|1,0,1]=4 4696 B10R0.82 C=C(C)C(=O)NCC(=O)CC 1458a_100000076187_100000210202 [0,2,0,0,0,0|1,0,1]=4 4697 B10R0.82 C=C(C)C(=O)NCC(C)CC 11a_100020588543_100000185857 [0,2,0,0,0,0|1,0,0]=3 4698 B10R0.82 C=C(C)C(=O)NCC(C)CC 1626a_100020588543_100000185857 [0,2,0,0,0,0|1,0,0]=3 4699 B10R0.82 C=C(C)C(=O)NCC(C)OC 34a_100000065599_200000210301 [0,2,0,0,0,0|2,0,0]=4 4700 B10R0.82 C=C(C)C(=O)NCC(C)O[13CH3] 34a_100000065599_200025704644 [0,2,0,0,0,0|2,0,0]=4 4701 B10R0.82 C=C(C)C(=O)NCC(O)CC 11a_100011218483_100000185857 [0,2,0,0,0,0|1,0,0]=3 4702 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 11a_100020591295_100000185857 [0,2,0,0,0,0|2,0,0]=4 4703 B10R0.82 C=C(C)C(=O)NC[C@@H](C)OC 1626a_100020591295_100000185857 [0,2,0,0,0,0|2,0,0]=4 4704 B10R0.82 C=C(C)C(=O)NNC(C)CC 22a_100000718999_100000185857 [0,2,0,0,0,0|2,0,0]=4 4705 B10R0.82 C=C(C)C(=O)OCC(C)OC 7a_100000061822_200000210301 [0,2,0,0,0,0|2,0,0]=4 4706 B10R0.82 C=C(C)C(=O)OCC(C)O[13CH3] 7a_100000061822_200025704644 [0,2,0,0,0,0|2,0,0]=4 4707 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 11a_100020588543_100000039160 [0,2,0,0,0,0|1,0,1]=4 4708 B10R0.82 C=C(Cl)C(=O)NCC(C)CC 1626a_100020588543_100000039160 [0,2,0,0,0,0|1,0,1]=4 4709 B10R0.82 C=C(Cl)C(=O)NCC(O)CC 11a_100011218483_100000039160 [0,2,0,0,0,0|1,0,1]=4 4710 B10R0.82 C=C(F)C(=O)NCC(C)CC 11a_100020588543_100000036797 [0,2,0,0,0,0|1,0,1]=4 4711 B10R0.82 C=C(F)C(=O)NCC(C)CC 1626a_100020588543_100000036797 [0,2,0,0,0,0|1,0,1]=4 4712 B10R0.82 C=C(F)C(=O)NCC(O)CC 11a_100011218483_100000036797 [0,2,0,0,0,0|1,0,1]=4 4713 B10R0.82 C=CC(C)OCC(=O)C(=O)C 34a_100000695699_100011261029 [0,2,0,0,0,0|1,0,0]=3 4714 B10R0.82 C=CC(C)SCC(=O)C(=O)C 62a_100011215867_100011261029 [0,2,0,0,0,0|1,0,0]=3 4715 B10R0.82 CC(=O)C(=O)COC(C)C#N 34a_100011218135_100011261029 [0,2,0,0,0,0|1,0,0]=3 4716 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,2,0,0,0,0|1,0,0]=3 4717 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,0]=3 4718 B10R0.82 CC(=O)C(=O)CSC(C)C#N 62a_100000703298_100011261029 [0,2,0,0,0,0|1,0,0]=3 4719 B10R0.82 CC(=O)C(=O)CSC(C)C#N 62a_100011261029_100000703298 [0,2,0,0,0,0|1,0,0]=3 4720 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,2,0,0,0,0|1,0,0]=3 4721 B10R0.82 CC(=O)C(=O)CSC(F)C#N 62a_100011261029_200000117898 [0,2,0,0,0,0|1,0,1]=4 4722 B10R0.82 CC(=O)C(=O)CSC(F)C#N 62a_200000117898_100011261029 [0,2,0,0,0,0|1,0,1]=4 4723 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,2,0,0,0,0|1,0,0]=3 4724 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,2,0,0,0,0|1,0,0]=3 4725 B10R0.82 CC(CO)CNC(=O)C(=O)N 240690a_100000744482_100011215815 [0,2,0,0,0,0|2,0,0]=4 4726 B10R0.82 CCC(=O)CCC(=O)N(C)C 1458a_100011200748_100000210202 [0,2,0,0,0,0|2,0,0]=4 4727 B10R0.82 CCC(=O)CCN(C)C(=O)C 1458a_100011216537_100000210202 [0,2,0,0,0,0|2,0,0]=4 4728 B10R0.82 CCC(C)CCC(=O)C(C)C 1458a_100000701222_100000210206 [0,2,0,0,0,0|1,0,1]=4 4729 B10R0.82 CCC(C)CCC(=O)N(C)C 11a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4730 B10R0.82 CCC(C)CCC(=O)N(C)C 1626a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4731 B10R0.82 CCC(C)CCC(=O)N(C)C 240690a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4732 B10R0.82 CCC(C)CCC(=O)N(C)C 527a_100102631434_100000701222 [0,2,0,0,0,0|2,0,0]=4 4733 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,2,0,0,0,0|1,0,0]=3 4734 B10R0.82 CCC(C)CNC(=O)C(C)C 11a_100020588543_100000210198 [0,2,0,0,0,0|1,0,1]=4 4735 B10R0.82 CCC(C)CNC(=O)C(C)C 1626a_100020588543_100000210198 [0,2,0,0,0,0|1,0,1]=4 4736 B10R0.82 CCC(C)CNC(=O)C(C)C 240690a_100020588543_100000210198 [0,2,0,0,0,0|1,0,1]=4 4737 B10R0.82 CCC(C)CNC(=O)C(C)C 527a_100020588543_100000210198 [0,2,0,0,0,0|1,0,1]=4 4738 B10R0.82 CCC(C)CNC(=O)C(C)F 11a_100020588543_100000062450 [0,2,0,0,0,0|1,0,1]=4 4739 B10R0.82 CCC(C)CNC(=O)C(C)F 1626a_100020588543_100000062450 [0,2,0,0,0,0|1,0,1]=4 4740 B10R0.82 CCC(C)CNC(=O)C(C)F 240690a_100020588543_100000062450 [0,2,0,0,0,0|1,0,1]=4 4741 B10R0.82 CCC(C)CNC(=O)C(C)F 527a_100020588543_100000062450 [0,2,0,0,0,0|1,0,1]=4 4742 B10R0.82 CCC(C)CNC(=O)N(C)C 2708a_100020588543_100102631434 [0,2,0,0,0,0|2,0,0]=4 4743 B10R0.82 CCC(C)CNC(=O)[C@@H](C)O 240690a_100020588543_100000717761 [0,2,0,0,0,0|0,0,2]=4 4744 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 1626a_100020588543_217856618621 [0,2,0,0,0,0|0,0,2]=4 4745 B10R0.82 CCC(C)CNC(=O)[C@H](C)O 240690a_100020588543_217856618621 [0,2,0,0,0,0|0,0,2]=4 4746 B10R0.82 CCC(C)CNC(C)C(=O)C 2230a_100020588543_100009814033 [0,2,0,0,0,0|1,0,1]=4 4747 B10R0.82 CCC(C)COC(C)C(=O)C 34a_100000212229_100000748023 [0,2,0,0,0,0|1,0,1]=4 4748 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100000748023_100009814033 [0,2,0,0,0,0|1,0,1]=4 4749 B10R0.82 CCC(C)CSC(C)C(=O)C 62a_100009814033_100000748023 [0,2,0,0,0,0|1,0,1]=4 4750 B10R0.82 CCC(C)NCC(=O)C(C)C 2230a_100000209981_100000753385 [0,2,0,0,0,0|1,0,1]=4 4751 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100000209981_100000185267 [0,2,0,0,0,0|2,0,0]=4 4752 B10R0.82 CCC(C)NCC(=O)N(C)C 2230a_100015183351_100000758301 [0,2,0,0,0,0|2,0,0]=4 4753 B10R0.82 CCC(C)NNC(=O)C(=O)N 22a_100000718999_100011215815 [0,2,0,0,0,0|2,0,0]=4 4754 B10R0.82 CCC(C)OCC(=O)C(C)C 7a_100000210228_100000753385 [0,2,0,0,0,0|1,0,1]=4 4755 B10R0.82 CCC(C)OCC(=O)N(C)C 7a_100000210228_100000692301 [0,2,0,0,0,0|2,0,0]=4 4756 B10R0.82 CCC(C)OCC(C)C(=O)C 34a_100000032740_100011215416 [0,2,0,0,0,0|1,0,1]=4 4757 B10R0.82 CCC(C)OCC(C)C(=O)C 7a_100000032740_100000758301 [0,2,0,0,0,0|1,0,1]=4 4758 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|0,0,0]=2 4759 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|0,0,0]=2 4760 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000753385_100000758301 [0,2,0,0,0,0|1,0,1]=4 4761 B10R0.82 CCC(C)SCC(=O)C(C)C 62a_100000758301_100000753385 [0,2,0,0,0,0|1,0,1]=4 4762 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000692301_100000758301 [0,2,0,0,0,0|2,0,0]=4 4763 B10R0.82 CCC(C)SCC(=O)N(C)C 62a_100000758301_100000692301 [0,2,0,0,0,0|2,0,0]=4 4764 B10R0.82 CCC(O)CCC(=O)N(C)C 1626a_100102631434_203496584001 [0,2,0,0,0,0|2,0,0]=4 4765 B10R0.82 CCC(O)CCC(=O)N(C)C 240690a_100102631434_203496584001 [0,2,0,0,0,0|2,0,0]=4 4766 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,2,0,0,0,0|1,0,0]=3 4767 B10R0.82 CCC(O)CNC(=O)C(C)C 11a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 4768 B10R0.82 CCC(O)CNC(=O)C(C)C 240690a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 4769 B10R0.82 CCC(O)CNC(=O)C(C)C 527a_100011218483_100000210198 [0,2,0,0,0,0|1,0,1]=4 4770 B10R0.82 CCC(O)CNC(=O)C(C)F 11a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 4771 B10R0.82 CCC(O)CNC(=O)C(C)F 240690a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 4772 B10R0.82 CCC(O)CNC(=O)C(C)F 527a_100011218483_100000062450 [0,2,0,0,0,0|1,0,1]=4 4773 B10R0.82 CCC(O)CNC(=O)[C@@H](C)O 240690a_100011218483_100000717761 [0,2,0,0,0,0|0,0,2]=4 4774 B10R0.82 CCC(O)CNC(=O)[C@H](C)O 240690a_100011218483_217856618621 [0,2,0,0,0,0|0,0,2]=4 4775 B10R0.82 CCC(O)CNC(C)C(=O)C 2230a_100011218483_100009814033 [0,2,0,0,0,0|1,0,1]=4 4776 B10R0.82 CCC(O)COC(C)C(=O)C 34a_100000212229_100011218378 [0,2,0,0,0,0|1,0,1]=4 4777 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100009814033_100011218378 [0,2,0,0,0,0|1,0,1]=4 4778 B10R0.82 CCC(O)CSC(C)C(=O)C 62a_100011218378_100009814033 [0,2,0,0,0,0|1,0,1]=4 4779 B10R0.82 CCN(C)CCC(=O)C(C)C 1458a_100000755305_100000210206 [0,2,0,0,0,0|1,0,1]=4 4780 B10R0.82 CCN(C)CCC(=O)N(C)C 2230a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 4781 B10R0.82 CCN(C)CCC(=O)N(C)C 240690a_100102631434_100000755305 [0,2,0,0,0,0|2,0,0]=4 4782 B10R0.82 CCN(C)CCC(=O)N(C)C 269982a_100000225621_100000737620 [0,2,0,0,0,0|2,0,0]=4 4783 B10R0.82 CCS(=O)CCC(=O)C(C)C 1458a_100011387550_100000210206 [0,2,0,0,0,0|1,0,1]=4 4784 B10R0.82 CCS(=O)CCC(=O)N(C)C 11a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 4785 B10R0.82 CCS(=O)CCC(=O)N(C)C 1626a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 4786 B10R0.82 CCS(=O)CCC(=O)N(C)C 240690a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 4787 B10R0.82 CCS(=O)CCC(=O)N(C)C 527a_100102631434_100011387550 [0,2,0,0,0,0|2,0,0]=4 4788 B10R0.82 CC[C@H](C)COC(C)C(=O)C 34a_100000212229_100009816398 [0,2,0,0,0,0|1,0,1]=4 4789 B10R0.82 CC[C@H](C)COC(C)C(=O)C 7a_100009816381_100000179758 [0,2,0,0,0,0|1,0,1]=4 4790 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009814033_100009816398 [0,2,0,0,0,0|1,0,1]=4 4791 B10R0.82 CC[C@H](C)CSC(C)C(=O)C 62a_100009816398_100009814033 [0,2,0,0,0,0|1,0,1]=4 4792 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100009879195_100011261029 [0,2,0,0,0,0|1,0,0]=3 4793 B10R0.82 COC(C)SCC(=O)C(=O)C 62a_100011261029_100009879195 [0,2,0,0,0,0|1,0,0]=3 4794 B10R0.82 CO[C@H](C)CNC(=O)C(=O)N 240690a_100020591295_100011215815 [0,2,0,0,0,0|2,0,0]=4 4795 B10R0.82 NC(=O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100011215815 [0,2,0,0,0,0|2,0,0]=4 4796 B10R0.82 NC(=O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011215815 [0,2,0,0,0,0|2,0,0]=4 4797 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4798 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4799 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,2,0,0,0,0|2,0,0]=4 4800 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,2,0,0,0,0|2,0,0]=4 4801 B10R0.92 C=C(C)C(=O)CCC(C)(C)C 1458a_100000185857_100000755188 [0,2,0,0,0,0|1,0,0]=3 4802 B10R0.92 C=C(C)C(=O)CCC(F)(F)F 1458a_100000185857_100011219754 [0,2,0,0,0,0|2,0,0]=4 4803 B10R0.92 C=C(C)C(=O)CCS(=O)(=O)C 1458a_100000185857_100000731031 [0,2,0,0,0,0|2,0,0]=4 4804 B10R0.92 C=C(C)C(=O)CC[N+](C)(C)C 1458a_100000185857_100000085578 [0,2,0,0,0,0|2,0,0]=4 4805 B10R0.92 C=C(C)C(=O)CC[Si](C)(C)C 1458a_100000185857_200000733723 [0,2,0,0,0,0|1,1,0]=4 4806 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 11a_100000743828_100000185857 [0,2,0,0,0,0|2,0,0]=4 4807 B10R0.92 C=C(C)C(=O)NCC(C)(C)C 1626a_100000743828_100000185857 [0,2,0,0,0,0|2,0,0]=4 4808 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 11a_100020643315_100000185857 [0,2,0,0,0,0|2,0,0]=4 4809 B10R0.92 C=C(C)C(=O)NCC(C)(C)F 1626a_100020643315_100000185857 [0,2,0,0,0,0|2,0,0]=4 4810 B10R0.92 C=C(C)C(=O)NCC(C)(C)O 1626a_100000751335_100000185857 [0,2,0,0,0,0|2,0,0]=4 4811 B10R0.92 C=C(C)C(=O)NCC(C)(F)F 11a_100000731000_100000185857 [0,2,0,0,0,0|2,0,0]=4 4812 B10R0.92 C=C(C)C(=O)NCC(C)(F)F 1626a_100000731000_100000185857 [0,2,0,0,0,0|2,0,0]=4 4813 B10R0.92 CC(=O)C(=O)COC(C)(C)C 34a_100015890283_100011261029 [0,2,0,0,0,0|1,0,0]=3 4814 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100000211941_100011261029 [0,2,0,0,0,0|1,0,0]=3 4815 B10R0.92 CC(=O)C(=O)CSC(C)(C)C 62a_100011261029_100000211941 [0,2,0,0,0,0|1,0,0]=3 4816 B10R0.92 CC(=O)C(=O)CSC(F)(F)F 62a_100011261029_200103152311 [0,2,0,0,0,0|2,0,0]=4 4817 B10R0.92 CC(=O)C(=O)CSC(F)(F)F 62a_200000243211_100011261029 [0,2,0,0,0,0|2,0,0]=4 4818 B10R0.92 CC(C)(C)CNC(=O)C(=O)N 240690a_100000743828_100011215815 [0,2,0,0,0,0|2,0,0]=4 4819 B10R0.92 CC(C)(F)CNC(=O)C(=O)N 240690a_100020643315_100011215815 [0,2,0,0,0,0|2,0,0]=4 4820 B10R0.92 CC(C)(O)CNC(=O)C(=O)N 240690a_100000751335_100011215815 [0,2,0,0,0,0|2,0,0]=4 4821 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000210198_100000755188 [0,2,0,0,0,0|1,0,1]=4 4822 B10R0.92 CC(C)C(=O)CCC(C)(C)C 1458a_100000757465_100000210206 [0,2,0,0,0,0|1,0,1]=4 4823 B10R0.92 CC(C)C(=O)CCC(C)(F)F 1458a_100000030992_100000210206 [0,2,0,0,0,0|1,0,1]=4 4824 B10R0.92 CC(F)(F)CNC(=O)C(=O)N 240690a_100000731000_100011215815 [0,2,0,0,0,0|2,0,0]=4 4825 B10R0.92 CC(F)C(=O)CCC(C)(C)C 1458a_100000062450_100000755188 [0,2,0,0,0,0|1,0,1]=4 4826 B10R0.92 CN(C)C(=O)CCC(C)(C)C 11a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 4827 B10R0.92 CN(C)C(=O)CCC(C)(C)C 1626a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 4828 B10R0.92 CN(C)C(=O)CCC(C)(C)C 240690a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 4829 B10R0.92 CN(C)C(=O)CCC(C)(C)C 527a_100102631434_100000757465 [0,2,0,0,0,0|2,0,0]=4 4830 B10R0.92 CN(C)C(=O)CCC(C)(F)F 11a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 4831 B10R0.92 CN(C)C(=O)CCC(C)(F)F 1626a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 4832 B10R0.92 CN(C)C(=O)CCC(C)(F)F 240690a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 4833 B10R0.92 CN(C)C(=O)CCC(C)(F)F 527a_100102631434_100000030992 [0,2,0,0,0,0|2,0,0]=4 4834 B10R0.92 C[C@@H](O)C(=O)CCC(C)(C)C 1458a_100000717761_100000755188 [0,2,0,0,0,0|0,0,2]=4 4835 B10R0.92 C[C@H](O)C(=O)CCC(C)(C)C 1458a_217856618621_100000755188 [0,2,0,0,0,0|0,0,2]=4 4836 B10R0.93 C=C(C)C(=O)CC(=O)C(=O)C 1458a_100000185857_100011261029 [0,2,0,0,0,0|0,0,2]=4 4837 B10R0.93 C=C(C)C(=O)CC(=O)C(C)C 1458a_100000185857_100000753385 [0,2,0,0,0,0|1,0,1]=4 4838 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 11a_100000211541_100000185857 [0,2,0,0,0,0|2,0,0]=4 4839 B10R0.93 C=C(C)C(=O)NC(C)C(C)C 1626a_100000211541_100000185857 [0,2,0,0,0,0|2,0,0]=4 4840 B10R0.93 CC(=O)C(=O)CC(=O)C(C)C 1458a_100000210198_100011261029 [0,2,0,0,0,0|0,0,1]=3 4841 B10R0.93 CC(=O)C(=O)CC(=O)C(C)F 1458a_100000062450_100011261029 [0,2,0,0,0,0|0,0,1]=3 4842 B10R0.93 CC(=O)C(=O)CC(=O)C(O)O 1458a_100000233687_100011261029 [0,2,0,0,0,0|1,0,1]=4 4843 B10R0.93 CC(=O)C(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100011261029 [0,2,0,0,0,0|0,0,1]=3 4844 B10R0.93 CC(=O)C(=O)CC(=O)[C@H](C)O 1458a_217856618621_100011261029 [0,2,0,0,0,0|0,0,1]=3 4845 B10R0.93 CC(=O)C(=O)CN(C)C(C)C 269982a_200000211004_100011261029 [0,2,0,0,0,0|1,0,0]=3 4846 B10R0.93 CC(C)C(C)NC(=O)C(=O)N 240690a_100000211541_100011215815 [0,2,0,0,0,0|2,0,0]=4 4847 B10R0.19 C#CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000184674 [0,2,0,0,0,0|1,0,1]=4 4848 B10R0.19 C#CCC(=O)C(=O)NCCC 1458a_200011297150_100000184674 [0,2,0,0,0,0|1,0,0]=3 4849 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100000725509_100000184674 [0,2,0,0,0,0|1,0,1]=4 4850 B10R0.19 C#CCC(=O)C(C)CCCC 1458a_100011220946_200011215066 [0,2,0,0,0,0|1,0,1]=4 4851 B10R0.19 C#CCC(=O)C(O)CCCC 1458a_100000720857_100000184674 [0,2,0,0,0,0|0,0,2]=4 4852 B10R0.19 C#CCC(=O)N(C)CCCC 1626a_100000207549_100011220946 [0,2,0,0,0,0|2,0,0]=4 4853 B10R0.19 C#CCC(=O)N(C)CCCC 527a_100000207549_100011220946 [0,2,0,0,0,0|2,0,0]=4 4854 B10R0.19 C#CCCC(=O)C(=O)NCC 1458a_200011297158_100000753159 [0,2,0,0,0,0|0,0,2]=4 4855 B10R0.19 C#CCN(C)C(=O)CCCC 11a_100000225692_100000210183 [0,2,0,0,0,0|2,0,0]=4 4856 B10R0.19 C#CCN(C)C(=O)CCCC 1626a_100000225692_100000210183 [0,2,0,0,0,0|2,0,0]=4 4857 B10R0.19 C#CCN(C)C(=O)CCCC 527a_100000225692_100000210183 [0,2,0,0,0,0|2,0,0]=4 4858 B10R0.19 C/C=C/CC(=O)C(=O)NCC 1458a_200011297158_100102629194 [0,2,0,0,0,0|0,0,2]=4 4859 B10R0.19 C=C(COCC)C(=O)OCC 34a_100121572206_100000755967 [0,2,0,0,0,0|2,0,0]=4 4860 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000210202_100000755967 [0,2,0,0,0,0|2,0,0]=4 4861 B10R0.19 C=C(CSCC)C(=O)OCC 62a_100000755967_100000210202 [0,2,0,0,0,0|2,0,0]=4 4862 B10R0.19 C=CCC(=O)/C(=C/CCC)/C 1458a_200020648666_100000210623 [0,2,0,0,0,0|1,0,1]=4 4863 B10R0.19 C=CCC(=O)C(=O)NCCC 1458a_200011297150_100000210623 [0,2,0,0,0,0|1,0,0]=3 4864 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000210193_200011215066 [0,2,0,0,0,0|1,0,1]=4 4865 B10R0.19 C=CCC(=O)C(C)CCCC 1458a_100000725509_100000210623 [0,2,0,0,0,0|1,0,1]=4 4866 B10R0.19 C=CCC(=O)C(O)CCCC 1458a_100000720857_100000210623 [0,2,0,0,0,0|0,0,2]=4 4867 B10R0.19 C=CCC(=O)N(C)CCCC 11a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 4868 B10R0.19 C=CCC(=O)N(C)CCCC 1626a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 4869 B10R0.19 C=CCC(=O)N(C)CCCC 240690a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 4870 B10R0.19 C=CCC(=O)N(C)CCCC 527a_100000207549_100000210193 [0,2,0,0,0,0|2,0,0]=4 4871 B10R0.19 C=CCC(C)C(=O)CCCC 1458a_100011216819_100000210211 [0,2,0,0,0,0|1,0,1]=4 4872 B10R0.19 C=CCCC(=O)C(=O)NCC 1458a_200011297158_100000754431 [0,2,0,0,0,0|0,0,2]=4 4873 B10R0.19 C=CCN(C)C(=O)CCCC 11a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 4874 B10R0.19 C=CCN(C)C(=O)CCCC 1626a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 4875 B10R0.19 C=CCN(C)C(=O)CCCC 240690a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 4876 B10R0.19 C=CCN(C)C(=O)CCCC 527a_100000225617_100000210183 [0,2,0,0,0,0|2,0,0]=4 4877 B10R0.19 CC#CC(=O)C(C)CCCC 1458a_100000763181_200011215066 [0,2,0,0,0,0|1,0,1]=4 4878 B10R0.19 CC#CCC(=O)C(=O)NCC 1458a_200011297158_100000748600 [0,2,0,0,0,0|0,0,2]=4 4879 B10R0.19 CC/C=C(\C)/C(=O)CCCC 1458a_100016988807_100000210211 [0,2,0,0,0,0|1,0,0]=3 4880 B10R0.19 CC/C=C(\C)/C(=O)CCCF 1458a_100016988807_100011934791 [0,2,0,0,0,0|2,0,0]=4 4881 B10R0.19 CC/C=C(\C)/C(=O)CCCO 1458a_100016988807_100011215043 [0,2,0,0,0,0|2,0,0]=4 4882 B10R0.19 CC/C=C(\C)/C(=O)CCOC 1458a_100016988807_100000233755 [0,2,0,0,0,0|2,0,0]=4 4883 B10R0.19 CC/C=C(\C)/C(=O)CCSC 1458a_100016988807_100000751147 [0,2,0,0,0,0|2,0,0]=4 4884 B10R0.19 CC/C=C(\C)/C(=O)NCCC 11a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 4885 B10R0.19 CC/C=C(\C)/C(=O)NCCC 1626a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 4886 B10R0.19 CC/C=C(\C)/C(=O)NCCC 240690a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 4887 B10R0.19 CC/C=C(\C)/C(=O)NCCC 527a_100020643023_100016988807 [0,2,0,0,0,0|2,0,0]=4 4888 B10R0.19 CC=CC(=O)C(C)CCCC 1458a_100000210699_200011215066 [0,2,0,0,0,0|1,0,1]=4 4889 B10R0.19 CC=CC(=O)N(C)CCCC 11a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 4890 B10R0.19 CC=CC(=O)N(C)CCCC 1626a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 4891 B10R0.19 CC=CC(=O)N(C)CCCC 240690a_100000207549_100000210699 [0,2,0,0,0,0|2,0,0]=4 4892 B10R0.19 CC=CCC(=O)C(=O)NCC 1458a_200011297158_100000070051 [0,2,0,0,0,0|0,0,2]=4 4893 B10R0.19 CCC/C=C(\C)/C(=O)CC#N 1458a_200020648666_100011214920 [0,2,0,0,0,0|1,0,1]=4 4894 B10R0.19 CCC/C=C(\C)/C(=O)CCC 1458a_200020648666_100000210303 [0,2,0,0,0,0|1,0,1]=4 4895 B10R0.19 CCC/C=C(\C)/C(=O)CCF 1458a_200020648666_100011217306 [0,2,0,0,0,0|1,0,1]=4 4896 B10R0.19 CCC/C=C(\C)/C(=O)CCO 1458a_200020648666_100000211926 [0,2,0,0,0,0|1,0,1]=4 4897 B10R0.19 CCC/C=C(\C)/C(=O)NCC 11a_100015525214_200020648666 [0,2,0,0,0,0|1,0,1]=4 4898 B10R0.19 CCC/C=C(\C)/C(=O)NCC 240690a_100015525214_200020648666 [0,2,0,0,0,0|1,0,1]=4 4899 B10R0.19 CCC/C=C(\C)/C(=O)NNC 22a_100016993582_200020648666 [0,2,0,0,0,0|1,0,1]=4 4900 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|0,0,1]=3 4901 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|0,0,0]=2 4902 B10R0.19 CCCCC(=O)C(C)CC#N 1458a_100000210183_100009813641 [0,2,0,0,0,0|1,0,1]=4 4903 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210183_100000766640 [0,2,0,0,0,0|1,0,1]=4 4904 B10R0.19 CCCCC(=O)C(C)CCC 1458a_100000210906_100000210211 [0,2,0,0,0,0|1,0,1]=4 4905 B10R0.19 CCCCC(=O)C(C)CCO 1458a_100000210183_100009893172 [0,2,0,0,0,0|0,0,2]=4 4906 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000210183_100000765312 [0,2,0,0,0,0|0,0,2]=4 4907 B10R0.19 CCCCC(=O)C(C)COC 1458a_100000751857_100000210211 [0,2,0,0,0,0|0,0,2]=4 4908 B10R0.19 CCCCC(=O)C(C)CSC 1458a_100000753918_100000210211 [0,2,0,0,0,0|0,1,1]=4 4909 B10R0.19 CCCCC(=O)C(C)OCC 1458a_100000739345_100000210211 [0,2,0,0,0,0|0,0,2]=4 4910 B10R0.19 CCCCC(=O)C(C)SCC 1458a_100000230601_100000210211 [0,2,0,0,0,0|0,1,1]=4 4911 B10R0.19 CCCCC(=O)N(C)CC#N 11a_100000748184_100000210183 [0,2,0,0,0,0|2,0,0]=4 4912 B10R0.19 CCCCC(=O)N(C)CC#N 1626a_100000748184_100000210183 [0,2,0,0,0,0|2,0,0]=4 4913 B10R0.19 CCCCC(=O)N(C)CCC 11a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4914 B10R0.19 CCCCC(=O)N(C)CCC 1626a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4915 B10R0.19 CCCCC(=O)N(C)CCC 240690a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4916 B10R0.19 CCCCC(=O)N(C)CCC 527a_100000747261_100000210183 [0,2,0,0,0,0|2,0,0]=4 4917 B10R0.19 CCCCC(=O)N(C)CCO 240690a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 4918 B10R0.19 CCCCC(=O)N(C)CCO 527a_100000210263_100000210183 [0,2,0,0,0,0|1,0,1]=4 4919 B10R0.19 CCCCC(=O)[C@@H](O)CCC 1458a_100009822183_100000210211 [0,2,0,0,0,0|0,0,2]=4 4920 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100000725509_100011214920 [0,2,0,0,0,0|1,0,1]=4 4921 B10R0.19 CCCCC(C)C(=O)CC#N 1458a_100051588842_200011215066 [0,2,0,0,0,0|1,0,1]=4 4922 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000211992_200011215066 [0,2,0,0,0,0|1,0,1]=4 4923 B10R0.19 CCCCC(C)C(=O)CCC 1458a_100000725509_100000210303 [0,2,0,0,0,0|1,0,1]=4 4924 B10R0.19 CCCCC(C)C(=O)CCF 1458a_100000725509_100011217306 [0,2,0,0,0,0|1,0,1]=4 4925 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100000725509_100000211926 [0,2,0,0,0,0|1,0,1]=4 4926 B10R0.19 CCCCC(C)C(=O)CCO 1458a_100011216618_200011215066 [0,2,0,0,0,0|1,0,1]=4 4927 B10R0.19 CCCCC(C)C(=O)COC 1458a_100000210968_200011215066 [0,2,0,0,0,0|1,0,1]=4 4928 B10R0.19 CCCCC(C)C(=O)CSC 1458a_100000184570_200011215066 [0,2,0,0,0,0|1,0,1]=4 4929 B10R0.19 CCCCC(C)C(=O)NCC 11a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 4930 B10R0.19 CCCCC(C)C(=O)NCC 240690a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 4931 B10R0.19 CCCCC(C)C(=O)NCC 527a_100015525214_100000725509 [0,2,0,0,0,0|1,0,1]=4 4932 B10R0.19 CCCCC(C)C(=O)NNC 22a_100016993582_100000725509 [0,2,0,0,0,0|1,0,1]=4 4933 B10R0.19 CCCCC(O)C(=O)CC#N 1458a_100000720857_100011214920 [0,2,0,0,0,0|0,0,2]=4 4934 B10R0.19 CCCCC(O)C(=O)CCC 1458a_100000720857_100000210303 [0,2,0,0,0,0|0,0,2]=4 4935 B10R0.19 CCCCC(O)C(=O)CCF 1458a_100000720857_100011217306 [0,2,0,0,0,0|0,0,2]=4 4936 B10R0.19 CCCCC(O)C(=O)CCO 1458a_100000720857_100000211926 [0,2,0,0,0,0|0,0,2]=4 4937 B10R0.19 CCCCC(O)C(=O)NCC 240690a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 4938 B10R0.19 CCCCC(O)C(=O)NCC 527a_100015525214_100000720857 [0,2,0,0,0,0|0,0,2]=4 4939 B10R0.19 CCCCC(O)C(=O)NNC 22a_100016993582_100000720857 [0,2,0,0,0,0|0,0,2]=4 4940 B10R0.19 CCCCN(C)C(=O)CC#N 1626a_100000207549_100051588842 [0,2,0,0,0,0|2,0,0]=4 4941 B10R0.19 CCCCN(C)C(=O)CC#N 240690a_100000207549_100051588842 [0,2,0,0,0,0|2,0,0]=4 4942 B10R0.19 CCCCN(C)C(=O)CCC 11a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4943 B10R0.19 CCCCN(C)C(=O)CCC 1626a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4944 B10R0.19 CCCCN(C)C(=O)CCC 240690a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4945 B10R0.19 CCCCN(C)C(=O)CCC 527a_100000207549_100000211992 [0,2,0,0,0,0|2,0,0]=4 4946 B10R0.19 CCCCN(C)C(=O)CCO 240690a_100000207549_100011216618 [0,2,0,0,0,0|2,0,0]=4 4947 B10R0.19 CCCCN(C)C(=O)CNC 2230a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 4948 B10R0.19 CCCCN(C)C(=O)CNC 34a_100102657272_100000230175 [0,2,0,0,0,0|2,0,0]=4 4949 B10R0.19 CCCCN(C)C(=O)CNC 7a_106832991635_100000230175 [0,2,0,0,0,0|2,0,0]=4 4950 B10R0.19 CCCCN(C)C(=O)COC 11a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 4951 B10R0.19 CCCCN(C)C(=O)COC 1626a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 4952 B10R0.19 CCCCN(C)C(=O)COC 240690a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 4953 B10R0.19 CCCCN(C)C(=O)COC 34a_100138415774_100000230175 [0,2,0,0,0,0|2,0,0]=4 4954 B10R0.19 CCCCN(C)C(=O)COC 527a_100000207549_100000210968 [0,2,0,0,0,0|2,0,0]=4 4955 B10R0.19 CCCCN(C)C(=O)CSC 11a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 4956 B10R0.19 CCCCN(C)C(=O)CSC 1626a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 4957 B10R0.19 CCCCN(C)C(=O)CSC 240690a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 4958 B10R0.19 CCCCN(C)C(=O)CSC 527a_100000207549_100000184570 [0,2,0,0,0,0|2,0,0]=4 4959 B10R0.19 CCCCN(C)C(=O)CSC 62a_100000230175_200000210301 [0,2,0,0,0,0|2,0,0]=4 4960 B10R0.19 CCCCN(C)C(=O)CSC 62a_200000210301_100000230175 [0,2,0,0,0,0|2,0,0]=4 4961 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_100000230175_200025704644 [0,2,0,0,0,0|2,0,0]=4 4962 B10R0.19 CCCCN(C)C(=O)CS[13CH3] 62a_200025704644_100000230175 [0,2,0,0,0,0|2,0,0]=4 4963 B10R0.19 CCCCN(C)C(=O)NCC 2708a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4964 B10R0.19 CCCCN(C)C(=O)NCC 273464a_100015525214_100000207549 [0,2,0,0,0,0|2,0,0]=4 4965 B10R0.19 CCCNC(=O)/C(=N/OC)/C 11a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 4966 B10R0.19 CCCNC(=O)/C(=N/OC)/C 240690a_100020643023_100160996864 [0,2,0,0,0,0|1,0,1]=4 4967 B10R0.19 CCCNC(=O)C(=O)CC#N 1458a_200011297150_100011214920 [0,2,0,0,0,0|1,0,0]=3 4968 B10R0.19 CCCNC(=O)C(=O)CCC 1458a_200011297150_100000210303 [0,2,0,0,0,0|1,0,0]=3 4969 B10R0.19 CCCNC(=O)C(=O)CCF 1458a_200011297150_100011217306 [0,2,0,0,0,0|1,0,0]=3 4970 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|1,0,0]=3 4971 B10R0.19 CCCNC(=O)C(=O)NCC 1626a_100020643023_200011297158 [0,2,0,0,0,0|1,0,0]=3 4972 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100015525214_200011297150 [0,2,0,0,0,0|1,0,0]=3 4973 B10R0.19 CCCNC(=O)C(=O)NCC 240690a_100020643023_200011297158 [0,2,0,0,0,0|1,0,0]=3 4974 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100015525214_200011297150 [0,2,0,0,0,0|1,0,0]=3 4975 B10R0.19 CCCNC(=O)C(=O)NCC 527a_100020643023_200011297158 [0,2,0,0,0,0|1,0,0]=3 4976 B10R0.19 CCCNC(=O)C(=O)NNC 22a_100016993582_200011297150 [0,2,0,0,0,0|1,0,0]=3 4977 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 4978 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 4979 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|1,0,0]=3 4980 B10R0.19 CCNC(=O)C(=O)CCC#N 1458a_200011297158_100011215226 [0,2,0,0,0,0|1,0,1]=4 4981 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,2,0,0,0,0|1,0,0]=3 4982 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,2,0,0,0,0|1,0,0]=3 4983 B10R0.19 CCNC(=O)C(=O)CCOC 1458a_200011297158_100000233755 [0,2,0,0,0,0|1,0,0]=3 4984 B10R0.19 CCNC(=O)C(=O)CCSC 1458a_200011297158_100000751147 [0,2,0,0,0,0|1,0,0]=3 4985 B10R0.19 CCNC(=O)C(=O)NCCF 1626a_100000724931_200011297158 [0,2,0,0,0,0|2,0,0]=4 4986 B10R0.19 CCNC(=O)C(=O)NCCF 240690a_100000724931_200011297158 [0,2,0,0,0,0|2,0,0]=4 4987 B10R0.19 CCNC(=O)C(=O)NCCF 527a_100000724931_200011297158 [0,2,0,0,0,0|2,0,0]=4 4988 B10R0.19 CCNC(=O)C(=O)NCCO 240690a_100000210304_200011297158 [0,2,0,0,0,0|2,0,0]=4 4989 B10R0.19 CCNC(=O)C(=O)NCCO 527a_100000210304_200011297158 [0,2,0,0,0,0|2,0,0]=4 4990 B10R0.19 CCNNC(=O)C(=O)NCC 22a_100000756455_200011297158 [0,2,0,0,0,0|2,0,0]=4 4991 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|1,0,0]=3 4992 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|1,0,0]=3 4993 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,2,0,0,0,0|2,0,0]=4 4994 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,2,0,0,0,0|2,0,0]=4 4995 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 4996 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 4997 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 4998 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|2,0,0]=4 4999 B10R0.19 CO/N=C(\C)/C(=O)CCCF 1458a_100160996864_100011934791 [0,2,0,0,0,0|1,0,1]=4 5000 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,2,0,0,0,0|1,0,1]=4 5001 B10R0.19 CO/N=C(\C)/C(=O)CCSC 1458a_100160996864_100000751147 [0,2,0,0,0,0|1,0,1]=4 5002 B10R0.19 COCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000233755 [0,2,0,0,0,0|1,0,1]=4 5003 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000210183_100000210505 [0,2,0,0,0,0|1,0,1]=4 5004 B10R0.21 CCCCC(=O)C(CC)CC 1458a_100000211163_100000210211 [0,2,0,0,0,0|1,0,1]=4 5005 B10R0.21 CCCCC(=O)C(CC)OC 1458a_100000747056_100000210211 [0,2,0,0,0,0|0,0,2]=4 5006 B10R0.21 CCCCC(=O)C(OC)OC 1458a_100000046285_100000210211 [0,2,0,0,0,0|0,0,2]=4 5007 B10R0.21 CCCCC(=O)N(CC)CC 11a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5008 B10R0.21 CCCCC(=O)N(CC)CC 1626a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5009 B10R0.21 CCCCC(=O)N(CC)CC 240690a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5010 B10R0.21 CCCCC(=O)N(CC)CC 527a_100000724800_100000210183 [0,2,0,0,0,0|2,0,0]=4 5011 B10R0.46 C#CC(C)C(=O)CC(C)CC 1458a_100000708755_200000035995 [0,2,0,0,0,0|1,0,1]=4 5012 B10R0.46 C#CC(C)C(=O)CC(O)CC 1458a_100011667805_200000035995 [0,2,0,0,0,0|1,0,1]=4 5013 B10R0.46 C/C=C(\C)/C(=O)CC(=O)CC 1458a_100020587367_100000747405 [0,2,0,0,0,0|1,0,1]=4 5014 B10R0.46 C/C=C(\C)/C(=O)CC(C)CC 1458a_100020587367_100000748023 [0,2,0,0,0,0|1,0,0]=3 5015 B10R0.46 C/C=C(\C)/C(=O)CC(O)CC 1458a_100020587367_100011218378 [0,2,0,0,0,0|1,0,0]=3 5016 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CC 1458a_100020587367_100009816398 [0,2,0,0,0,0|1,0,0]=3 5017 B10R0.46 C/C=C(\C)/C(=O)C[C@@H](C)CO 1458a_100020587367_100000059175 [0,2,0,0,0,0|2,0,0]=4 5018 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 11a_100000209981_100020587367 [0,2,0,0,0,0|2,0,0]=4 5019 B10R0.46 C/C=C(\C)/C(=O)NC(C)CC 1626a_100000209981_100020587367 [0,2,0,0,0,0|2,0,0]=4 5020 B10R0.46 C=CC(C)C(=O)CC(C)CC 1458a_100011216780_100000748023 [0,2,0,0,0,0|1,0,1]=4 5021 B10R0.46 C=CC(C)C(=O)CC(O)CC 1458a_100011216780_100011218378 [0,2,0,0,0,0|1,0,1]=4 5022 B10R0.46 C=CC(C)C(=O)C[C@@H](C)CC 1458a_100011216780_100009816398 [0,2,0,0,0,0|1,0,1]=4 5023 B10R0.46 CCC(=O)C(=O)NC(C)CC 1458a_200011297154_100000210202 [0,2,0,0,0,0|1,0,0]=3 5024 B10R0.46 CCC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000747405 [0,2,0,0,0,0|0,0,1]=3 5025 B10R0.46 CCC(=O)N(C)CC(C)CC 11a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 5026 B10R0.46 CCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 5027 B10R0.46 CCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 5028 B10R0.46 CCC(=O)N(C)CC(C)CC 527a_100000753921_100000210414 [0,2,0,0,0,0|2,0,0]=4 5029 B10R0.46 CCC(C)C(=O)C[C@@H](C)CC 1458a_100011192722_100009816398 [0,2,0,0,0,0|1,0,1]=4 5030 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|0,0,0]=2 5031 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000708755_100000703298 [0,2,0,0,0,0|1,0,1]=4 5032 B10R0.46 CCC(C)CC(=O)C(C)C#N 1458a_100000753662_100000748023 [0,2,0,0,0,0|1,0,1]=4 5033 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100000708755_100000758301 [0,2,0,0,0,0|1,0,1]=4 5034 B10R0.46 CCC(C)CC(=O)C(C)CC 1458a_100011192722_100000748023 [0,2,0,0,0,0|1,0,1]=4 5035 B10R0.46 CCC(C)CC(=O)C(C)OC 1458a_100000743197_100000748023 [0,2,0,0,0,0|0,0,2]=4 5036 B10R0.46 CCC(C)CC(=O)C(C)SC 1458a_100000149566_100000748023 [0,2,0,0,0,0|0,1,1]=4 5037 B10R0.46 CCC(C)CC(=O)C(O)CC 1458a_100011196387_100000748023 [0,2,0,0,0,0|0,0,2]=4 5038 B10R0.46 CCC(C)CC(=O)C(O)CO 1458a_100011215603_100000748023 [0,2,0,0,0,0|0,0,2]=4 5039 B10R0.46 CCC(C)CC(=O)N(C)CC 11a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 5040 B10R0.46 CCC(C)CC(=O)N(C)CC 1626a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 5041 B10R0.46 CCC(C)CC(=O)N(C)CC 240690a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 5042 B10R0.46 CCC(C)CC(=O)N(C)CC 527a_100000225621_100000708755 [0,2,0,0,0,0|2,0,0]=4 5043 B10R0.46 CCC(C)CN(C)C(=O)CO 240690a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 5044 B10R0.46 CCC(C)CN(C)C(=O)CO 527a_100000753921_100000210174 [0,2,0,0,0,0|2,0,0]=4 5045 B10R0.46 CCC(C)CN(C)C(=O)NC 2708a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 5046 B10R0.46 CCC(C)CN(C)C(=O)NC 273464a_100102657272_100000753921 [0,2,0,0,0,0|2,0,0]=4 5047 B10R0.46 CCC(C)NC(=O)C(=O)CF 1458a_200011297154_100015361967 [0,2,0,0,0,0|1,0,0]=3 5048 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100000209981_100011218921 [0,2,0,0,0,0|1,0,0]=3 5049 B10R0.46 CCC(C)NC(=O)C(=O)NC 1626a_100102657272_200011297154 [0,2,0,0,0,0|1,0,0]=3 5050 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100000209981_100011218921 [0,2,0,0,0,0|1,0,0]=3 5051 B10R0.46 CCC(C)NC(=O)C(=O)NC 240690a_100102657272_200011297154 [0,2,0,0,0,0|1,0,0]=3 5052 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100000209981_100011218921 [0,2,0,0,0,0|1,0,0]=3 5053 B10R0.46 CCC(C)NC(=O)C(=O)NC 527a_100102657272_200011297154 [0,2,0,0,0,0|1,0,0]=3 5054 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 5055 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 5056 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 5057 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|1,0,0]=3 5058 B10R0.46 CCC(O)C(=O)C[C@@H](C)CC 1458a_100011196387_100009816398 [0,2,0,0,0,0|0,0,2]=4 5059 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|0,0,0]=2 5060 B10R0.46 CCC(O)CC(=O)C(C)C#N 1458a_100000753662_100011218378 [0,2,0,0,0,0|1,0,1]=4 5061 B10R0.46 CCC(O)CC(=O)C(C)C#N 1458a_100011667805_100000703298 [0,2,0,0,0,0|1,0,1]=4 5062 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011192722_100011218378 [0,2,0,0,0,0|1,0,1]=4 5063 B10R0.46 CCC(O)CC(=O)C(C)CC 1458a_100011667805_100000758301 [0,2,0,0,0,0|1,0,1]=4 5064 B10R0.46 CCC(O)CC(=O)C(C)OC 1458a_100000743197_100011218378 [0,2,0,0,0,0|0,0,2]=4 5065 B10R0.46 CCC(O)CC(=O)C(C)SC 1458a_100000149566_100011218378 [0,2,0,0,0,0|0,1,1]=4 5066 B10R0.46 CCC(O)CC(=O)C(O)CC 1458a_100011196387_100011218378 [0,2,0,0,0,0|0,0,2]=4 5067 B10R0.46 CCC(O)CC(=O)C(O)CO 1458a_100011215603_100011218378 [0,2,0,0,0,0|0,0,2]=4 5068 B10R0.46 CCC(O)CC(=O)N(C)CC 1626a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 5069 B10R0.46 CCC(O)CC(=O)N(C)CC 240690a_100000225621_100011667805 [0,2,0,0,0,0|2,0,0]=4 5070 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|0,0,0]=2 5071 B10R0.46 CC[C@H](C)CC(=O)C(C)C#N 1458a_100000753662_100009816398 [0,2,0,0,0,0|1,0,1]=4 5072 B10R0.46 CC[C@H](C)CC(=O)C(C)OC 1458a_100000743197_100009816398 [0,2,0,0,0,0|0,0,2]=4 5073 B10R0.46 CC[C@H](C)CC(=O)C(C)SC 1458a_100000149566_100009816398 [0,2,0,0,0,0|0,1,1]=4 5074 B10R0.46 CC[C@H](C)CC(=O)C(O)CO 1458a_100011215603_100009816398 [0,2,0,0,0,0|0,0,2]=4 5075 B10R0.46 CNC(=O)C(=O)CC(=O)OC 1458a_100011218921_100000747449 [0,2,0,0,0,0|1,0,1]=4 5076 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|1,0,0]=3 5077 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 5078 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 5079 B10R0.46 CNC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100011218921 [0,2,0,0,0,0|2,0,0]=4 5080 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100011218921 [0,2,0,0,0,0|2,0,0]=4 5081 B10R0.46 CNC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100011218921 [0,2,0,0,0,0|2,0,0]=4 5082 B10R0.46 CNC(=O)CC(=O)C(=O)NC 1458a_100011218921_100000183359 [0,2,0,0,0,0|1,0,1]=4 5083 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 5084 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 5085 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 5086 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 5087 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 5088 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 5089 B10R0.83 C#CC(C)C(=O)CCCCC 1458a_100000212188_200000035995 [0,2,0,0,0,0|1,0,1]=4 5090 B10R0.83 C#CC(C)C(=O)CCCCO 1458a_100000695505_200000035995 [0,2,0,0,0,0|1,0,1]=4 5091 B10R0.83 C#CC(C)C(=O)CCCOC 1458a_100000741012_200000035995 [0,2,0,0,0,0|1,0,1]=4 5092 B10R0.83 C#CC(C)C(=O)CCCSC 1458a_100000173376_200000035995 [0,2,0,0,0,0|1,0,1]=4 5093 B10R0.83 C#CC(C)C(=O)CCOCC 1458a_100000749530_200000035995 [0,2,0,0,0,0|1,0,1]=4 5094 B10R0.83 C#CC(C)C(=O)CCSCC 1458a_100000230768_200000035995 [0,2,0,0,0,0|1,0,1]=4 5095 B10R0.83 C#CC(C)C(=O)COCCC 1458a_100000745993_200000035995 [0,2,0,0,0,0|1,0,1]=4 5096 B10R0.83 C#CC(C)C(=O)CSCCC 1458a_100000217233_200000035995 [0,2,0,0,0,0|1,0,1]=4 5097 B10R0.83 C#CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000731252 [0,2,0,0,0,0|1,0,1]=4 5098 B10R0.83 C#CCCCC(=O)C(=O)NC 1458a_100011218921_100000731252 [0,2,0,0,0,0|0,0,1]=3 5099 B10R0.83 C#CCCNC(=O)C(=O)NC 1626a_100000755551_100011218921 [0,2,0,0,0,0|0,0,2]=4 5100 B10R0.83 C#CCCNC(=O)C(=O)NC 240690a_100000755551_100011218921 [0,2,0,0,0,0|0,0,2]=4 5101 B10R0.83 C#CCCNC(=O)C(=O)NC 527a_100000755551_100011218921 [0,2,0,0,0,0|0,0,2]=4 5102 B10R0.83 C#CCCNC(=O)C(=O)OC 11a_100000755551_100000024059 [0,2,0,0,0,0|0,0,2]=4 5103 B10R0.83 C#CCCNC(=O)C(=O)OC 1626a_100000755551_100000024059 [0,2,0,0,0,0|0,0,2]=4 5104 B10R0.83 C#CCCNC(=O)C(=O)OC 240690a_100000755551_100000024059 [0,2,0,0,0,0|0,0,2]=4 5105 B10R0.83 C#CCCNC(=O)C(=O)OC 527a_100000755551_100000024059 [0,2,0,0,0,0|0,0,2]=4 5106 B10R0.83 C#CCNCC(=O)C(=O)OC 34a_100000212058_100011610305 [0,2,0,0,0,0|0,0,2]=4 5107 B10R0.83 C#CCOCC(=O)C(=O)OC 34a_100000210247_100011610305 [0,2,0,0,0,0|0,0,2]=4 5108 B10R0.83 C#CCSCC(=O)C(=O)OC 62a_100000038162_100011610305 [0,2,0,0,0,0|0,0,2]=4 5109 B10R0.83 C/C=C(\C)/C(=O)C/C=C\CC 1458a_100020587367_100103147603 [0,2,0,0,0,0|1,0,1]=4 5110 B10R0.83 C/C=C(\C)/C(=O)CC#CCC 1458a_100020587367_100009813939 [0,2,0,0,0,0|1,0,1]=4 5111 B10R0.83 C/C=C(\C)/C(=O)CCCC#N 1458a_100020587367_100000211468 [0,2,0,0,0,0|1,0,1]=4 5112 B10R0.83 C/C=C(\C)/C(=O)CCCCC 1458a_100020587367_100000210326 [0,2,0,0,0,0|1,0,0]=3 5113 B10R0.83 C/C=C(\C)/C(=O)CCCCF 1458a_100020587367_100000729493 [0,2,0,0,0,0|1,0,0]=3 5114 B10R0.83 C/C=C(\C)/C(=O)CCCCO 1458a_100020587367_100000210776 [0,2,0,0,0,0|1,0,0]=3 5115 B10R0.83 C/C=C(\C)/C(=O)CCCOC 1458a_100020587367_100000740836 [0,2,0,0,0,0|1,0,0]=3 5116 B10R0.83 C/C=C(\C)/C(=O)CCOCC 1458a_100020587367_100011215890 [0,2,0,0,0,0|1,0,0]=3 5117 B10R0.83 C/C=C(\C)/C(=O)CCSCC 1458a_100020587367_100000757381 [0,2,0,0,0,0|1,0,0]=3 5118 B10R0.83 C/C=C(\C)/C(=O)NCCCC 11a_100000102301_100020587367 [0,2,0,0,0,0|1,0,0]=3 5119 B10R0.83 C/C=C(\C)/C(=O)NCCCC 1626a_100000102301_100020587367 [0,2,0,0,0,0|1,0,0]=3 5120 B10R0.83 C/C=C(\C)/C(=O)NCCCF 11a_100015189416_100020587367 [0,2,0,0,0,0|2,0,0]=4 5121 B10R0.83 C/C=C(\C)/C(=O)NCCCF 1626a_100015189416_100020587367 [0,2,0,0,0,0|2,0,0]=4 5122 B10R0.83 C/C=C(\C)/C(=O)NCCOC 1626a_100000209980_100020587367 [0,2,0,0,0,0|2,0,0]=4 5123 B10R0.83 C/C=C(\C)/C(=O)NCCSC 11a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 5124 B10R0.83 C/C=C(\C)/C(=O)NCCSC 1626a_100020590264_100020587367 [0,2,0,0,0,0|2,0,0]=4 5125 B10R0.83 C/C=C(\C)/C(=O)NNCCC 22a_100000740057_100020587367 [0,2,0,0,0,0|2,0,0]=4 5126 B10R0.83 C=C(CNCCF)C(=O)OC 34a_100000724931_100009813391 [0,2,0,0,0,0|2,0,0]=4 5127 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,2,0,0,0,0|2,0,0]=4 5128 B10R0.83 C=C(CO)C(=O)NNCCC 22a_100000740057_200000705526 [0,2,0,0,0,0|2,0,0]=4 5129 B10R0.83 C=C(COCCBr)C(=O)OC 34a_100000211926_100009813391 [0,2,0,0,0,0|2,0,0]=4 5130 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|1,0,0]=3 5131 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,2,0,0,0,0|2,0,0]=4 5132 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|1,0,0]=3 5133 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|1,0,0]=3 5134 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [0,2,0,0,0,0|2,0,0]=4 5135 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [0,2,0,0,0,0|2,0,0]=4 5136 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,2,0,0,0,0|2,0,0]=4 5137 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,2,0,0,0,0|2,0,0]=4 5138 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100000766300_100009813391 [0,2,0,0,0,0|2,0,0]=4 5139 B10R0.83 C=C(CSCOC)C(=O)OC 62a_100009813391_100000766300 [0,2,0,0,0,0|2,0,0]=4 5140 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100009813391_100011218213 [0,2,0,0,0,0|2,0,0]=4 5141 B10R0.83 C=C(CSCSC)C(=O)OC 62a_100011218213_100009813391 [0,2,0,0,0,0|2,0,0]=4 5142 B10R0.83 C=CC(C)C(=O)CCCCC 1458a_100011216780_100000210326 [0,2,0,0,0,0|1,0,1]=4 5143 B10R0.83 C=CC(C)C(=O)CCCCF 1458a_100011216780_100000729493 [0,2,0,0,0,0|1,0,1]=4 5144 B10R0.83 C=CC(C)C(=O)CCCCO 1458a_100011216780_100000210776 [0,2,0,0,0,0|1,0,1]=4 5145 B10R0.83 C=CC(C)C(=O)CCCOC 1458a_100011216780_100000740836 [0,2,0,0,0,0|1,0,1]=4 5146 B10R0.83 C=CC(C)C(=O)CCOCC 1458a_100011216780_100011215890 [0,2,0,0,0,0|1,0,1]=4 5147 B10R0.83 C=CC(C)C(=O)CCSCC 1458a_100011216780_100000757381 [0,2,0,0,0,0|1,0,1]=4 5148 B10R0.83 C=CC(C)C(=O)NCCCC 11a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 5149 B10R0.83 C=CC(C)C(=O)NCCCC 1626a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 5150 B10R0.83 C=CC(C)C(=O)NCCCC 240690a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 5151 B10R0.83 C=CC(C)C(=O)NCCCC 527a_100000102301_100011216780 [0,2,0,0,0,0|1,0,1]=4 5152 B10R0.83 C=CCCCC(=O)/C(=C/C)/C 1458a_100020587367_100000757094 [0,2,0,0,0,0|1,0,1]=4 5153 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,2,0,0,0,0|0,0,1]=3 5154 B10R0.83 C=CCCNC(=O)C(=O)NC 1626a_100015191253_100011218921 [0,2,0,0,0,0|0,0,2]=4 5155 B10R0.83 C=CCCNC(=O)C(=O)NC 240690a_100015191253_100011218921 [0,2,0,0,0,0|0,0,2]=4 5156 B10R0.83 C=CCCNC(=O)C(=O)NC 527a_100015191253_100011218921 [0,2,0,0,0,0|0,0,2]=4 5157 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|0,0,2]=4 5158 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|0,0,2]=4 5159 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|0,0,2]=4 5160 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|0,0,2]=4 5161 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,2,0,0,0,0|0,0,2]=4 5162 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,2,0,0,0,0|0,0,2]=4 5163 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,2,0,0,0,0|0,0,2]=4 5164 B10R0.83 C=COCCC(=O)C(=O)NC 1458a_100011218921_100000039644 [0,2,0,0,0,0|0,0,2]=4 5165 B10R0.83 CC#CCNC(=O)C(=O)NC 1626a_100000685387_100011218921 [0,2,0,0,0,0|0,0,2]=4 5166 B10R0.83 CC#CCNC(=O)C(=O)NC 527a_100000685387_100011218921 [0,2,0,0,0,0|0,0,2]=4 5167 B10R0.83 CC#CCNC(=O)C(=O)OC 11a_100000685387_100000024059 [0,2,0,0,0,0|0,0,2]=4 5168 B10R0.83 CC#CCNC(=O)C(=O)OC 1626a_100000685387_100000024059 [0,2,0,0,0,0|0,0,2]=4 5169 B10R0.83 CC#CCNC(=O)C(=O)OC 527a_100000685387_100000024059 [0,2,0,0,0,0|0,0,2]=4 5170 B10R0.83 CC(C#N)C(=O)CCCCF 1458a_100000753662_100000729493 [0,2,0,0,0,0|1,0,1]=4 5171 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000695505_100000703298 [0,2,0,0,0,0|1,0,1]=4 5172 B10R0.83 CC(C#N)C(=O)CCCCO 1458a_100000753662_100000210776 [0,2,0,0,0,0|1,0,1]=4 5173 B10R0.83 CC/C=C\CC(=O)C(=O)NC 1458a_100011218921_100103147603 [0,2,0,0,0,0|0,0,1]=3 5174 B10R0.83 CCC#CCC(=O)C(=O)NC 1458a_100011218921_100009813939 [0,2,0,0,0,0|0,0,1]=3 5175 B10R0.83 CCC(=O)N(C)CCCCO 240690a_100000717598_100000210414 [0,2,0,0,0,0|2,0,0]=4 5176 B10R0.83 CCC(=O)N(C)CCCOC 11a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 5177 B10R0.83 CCC(=O)N(C)CCCOC 1626a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 5178 B10R0.83 CCC(=O)N(C)CCCOC 240690a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 5179 B10R0.83 CCC(=O)N(C)CCCOC 527a_100000224831_100000210414 [0,2,0,0,0,0|2,0,0]=4 5180 B10R0.83 CCC(C)C(=O)CCCCF 1458a_100011192722_100000729493 [0,2,0,0,0,0|1,0,1]=4 5181 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100000695505_100000758301 [0,2,0,0,0,0|1,0,1]=4 5182 B10R0.83 CCC(C)C(=O)CCCCO 1458a_100011192722_100000210776 [0,2,0,0,0,0|1,0,1]=4 5183 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100000741012_100000758301 [0,2,0,0,0,0|1,0,1]=4 5184 B10R0.83 CCC(C)C(=O)CCCOC 1458a_100011192722_100000740836 [0,2,0,0,0,0|1,0,1]=4 5185 B10R0.83 CCC(C)C(=O)CCCSC 1458a_100000173376_100000758301 [0,2,0,0,0,0|1,0,1]=4 5186 B10R0.83 CCC(O)C(=O)CCCCF 1458a_100011196387_100000729493 [0,2,0,0,0,0|0,0,2]=4 5187 B10R0.83 CCC(O)C(=O)CCCCO 1458a_100011196387_100000210776 [0,2,0,0,0,0|0,0,2]=4 5188 B10R0.83 CCC(O)C(=O)CCCOC 1458a_100011196387_100000740836 [0,2,0,0,0,0|0,0,2]=4 5189 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|0,0,0]=2 5190 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000212188_100000703298 [0,2,0,0,0,0|1,0,1]=4 5191 B10R0.83 CCCCCC(=O)C(C)C#N 1458a_100000753662_100000210326 [0,2,0,0,0,0|1,0,1]=4 5192 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100000212188_100000758301 [0,2,0,0,0,0|1,0,1]=4 5193 B10R0.83 CCCCCC(=O)C(C)CC 1458a_100011192722_100000210326 [0,2,0,0,0,0|1,0,1]=4 5194 B10R0.83 CCCCCC(=O)C(C)OC 1458a_100000743197_100000210326 [0,2,0,0,0,0|0,0,2]=4 5195 B10R0.83 CCCCCC(=O)C(C)SC 1458a_100000149566_100000210326 [0,2,0,0,0,0|0,1,1]=4 5196 B10R0.83 CCCCCC(=O)C(O)CC 1458a_100011196387_100000210326 [0,2,0,0,0,0|0,0,2]=4 5197 B10R0.83 CCCCCC(=O)C(O)CO 1458a_100011215603_100000210326 [0,2,0,0,0,0|0,0,2]=4 5198 B10R0.83 CCCCCC(=O)N(C)CC 11a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5199 B10R0.83 CCCCCC(=O)N(C)CC 1626a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5200 B10R0.83 CCCCCC(=O)N(C)CC 240690a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5201 B10R0.83 CCCCCC(=O)N(C)CC 527a_100000225621_100000212188 [0,2,0,0,0,0|2,0,0]=4 5202 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100000210414_200011218191 [0,2,0,0,0,0|1,0,1]=4 5203 B10R0.83 CCCCCC(C)C(=O)CC 1458a_100011215998_100000210202 [0,2,0,0,0,0|1,0,1]=4 5204 B10R0.83 CCCCCC(C)C(=O)CF 1458a_100011215998_100015361967 [0,2,0,0,0,0|1,0,1]=4 5205 B10R0.83 CCCCCC(C)C(=O)CO 1458a_100000210174_200011218191 [0,2,0,0,0,0|1,0,1]=4 5206 B10R0.83 CCCCCC(C)C(=O)NC 11a_106832991635_100011215998 [0,2,0,0,0,0|1,0,1]=4 5207 B10R0.83 CCCCCC(C)C(=O)NC 1626a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 5208 B10R0.83 CCCCCC(C)C(=O)NC 240690a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 5209 B10R0.83 CCCCCC(C)C(=O)NC 527a_100102657272_100011215998 [0,2,0,0,0,0|1,0,1]=4 5210 B10R0.83 CCCCCN(C)C(=O)CC 11a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5211 B10R0.83 CCCCCN(C)C(=O)CC 1626a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5212 B10R0.83 CCCCCN(C)C(=O)CC 240690a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5213 B10R0.83 CCCCCN(C)C(=O)CC 527a_100000223495_100000210414 [0,2,0,0,0,0|2,0,0]=4 5214 B10R0.83 CCCCCN(C)C(=O)CO 240690a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5215 B10R0.83 CCCCCN(C)C(=O)CO 527a_100000223495_100000210174 [0,2,0,0,0,0|2,0,0]=4 5216 B10R0.83 CCCCCN(C)C(=O)NC 2708a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5217 B10R0.83 CCCCCN(C)C(=O)NC 273464a_100102657272_100000223495 [0,2,0,0,0,0|2,0,0]=4 5218 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|0,0,0]=2 5219 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|0,0,0]=2 5220 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|0,0,0]=2 5221 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|0,0,0]=2 5222 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|0,0,0]=2 5223 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|0,0,0]=2 5224 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|0,0,0]=2 5225 B10R0.83 CCCCNC(=O)C(C)C#N 11a_100000102301_100000753662 [0,2,0,0,0,0|1,0,1]=4 5226 B10R0.83 CCCCNC(=O)C(C)C#N 1626a_100000102301_100000753662 [0,2,0,0,0,0|1,0,1]=4 5227 B10R0.83 CCCCNC(=O)C(C)C#N 240690a_100000102301_100000753662 [0,2,0,0,0,0|1,0,1]=4 5228 B10R0.83 CCCCNC(=O)C(C)C#N 527a_100000102301_100000753662 [0,2,0,0,0,0|1,0,1]=4 5229 B10R0.83 CCCCNC(=O)C(C)CC 11a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5230 B10R0.83 CCCCNC(=O)C(C)CC 1626a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5231 B10R0.83 CCCCNC(=O)C(C)CC 240690a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5232 B10R0.83 CCCCNC(=O)C(C)CC 527a_100000102301_100011192722 [0,2,0,0,0,0|1,0,1]=4 5233 B10R0.83 CCCCNC(=O)C(C)NC 2230a_106832991635_100000735917 [0,2,0,0,0,0|1,0,1]=4 5234 B10R0.83 CCCCNC(=O)C(C)NC 34a_100102657272_100000735917 [0,2,0,0,0,0|1,0,1]=4 5235 B10R0.83 CCCCNC(=O)C(C)NC 7a_106832991635_100000735917 [0,2,0,0,0,0|1,0,1]=4 5236 B10R0.83 CCCCNC(=O)C(C)OC 11a_100000102301_100000743197 [0,2,0,0,0,0|0,0,2]=4 5237 B10R0.83 CCCCNC(=O)C(C)OC 1626a_100000102301_100000743197 [0,2,0,0,0,0|0,0,2]=4 5238 B10R0.83 CCCCNC(=O)C(C)OC 240690a_100000102301_100000743197 [0,2,0,0,0,0|0,0,2]=4 5239 B10R0.83 CCCCNC(=O)C(C)OC 34a_100138415774_100000735917 [0,2,0,0,0,0|0,0,2]=4 5240 B10R0.83 CCCCNC(=O)C(C)OC 527a_100000102301_100000743197 [0,2,0,0,0,0|0,0,2]=4 5241 B10R0.83 CCCCNC(=O)C(C)SC 11a_100000102301_100000149566 [0,2,0,0,0,0|0,1,1]=4 5242 B10R0.83 CCCCNC(=O)C(C)SC 1626a_100000102301_100000149566 [0,2,0,0,0,0|0,1,1]=4 5243 B10R0.83 CCCCNC(=O)C(C)SC 240690a_100000102301_100000149566 [0,2,0,0,0,0|0,1,1]=4 5244 B10R0.83 CCCCNC(=O)C(C)SC 527a_100000102301_100000149566 [0,2,0,0,0,0|0,1,1]=4 5245 B10R0.83 CCCCNC(=O)C(C)SC 62a_100000735917_200000210301 [0,2,0,0,0,0|0,1,1]=4 5246 B10R0.83 CCCCNC(=O)C(C)SC 62a_200000210301_100000735917 [0,2,0,0,0,0|0,1,1]=4 5247 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_100000735917_200025704644 [0,2,0,0,0,0|0,1,1]=4 5248 B10R0.83 CCCCNC(=O)C(C)S[13CH3] 62a_200025704644_100000735917 [0,2,0,0,0,0|0,1,1]=4 5249 B10R0.83 CCCCNC(=O)C(O)CC 240690a_100000102301_100011196387 [0,2,0,0,0,0|0,0,2]=4 5250 B10R0.83 CCCCNC(=O)C(O)CO 240690a_100000102301_100011215603 [0,2,0,0,0,0|0,0,2]=4 5251 B10R0.83 CCCCNC(=O)N(C)CC 2708a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5252 B10R0.83 CCCCNC(=O)N(C)CC 273464a_100000102301_100000225621 [0,2,0,0,0,0|2,0,0]=4 5253 B10R0.83 CCCCNC(C)C(=O)CC 2230a_100000102301_100000742827 [0,2,0,0,0,0|1,0,1]=4 5254 B10R0.83 CCCCNC(C)C(=O)CC 7a_106832991798_100000742827 [0,2,0,0,0,0|1,0,1]=4 5255 B10R0.83 CCCCNC(C)C(=O)NC 2230a_100000102301_100000731044 [0,2,0,0,0,0|1,0,1]=4 5256 B10R0.83 CCCCNC(C)C(=O)NC 7a_106832991798_100000209862 [0,2,0,0,0,0|1,0,1]=4 5257 B10R0.83 CCCCNC(C)C(=O)OC 2230a_100000102301_100000211248 [0,2,0,0,0,0|1,0,1]=4 5258 B10R0.83 CCCCNC(C)C(=O)OC 7a_106832991798_100000211248 [0,2,0,0,0,0|1,0,1]=4 5259 B10R0.83 CCCCNC(F)C(=O)NC 2230a_100000102301_100009813575 [0,2,0,0,0,0|1,0,1]=4 5260 B10R0.83 CCCCNC(F)C(=O)NC 7a_106832991798_100009813575 [0,2,0,0,0,0|1,0,1]=4 5261 B10R0.83 CCCCN[C@H](C)C(=O)NC 2230a_100000684985_100000210211 [0,2,0,0,0,0|1,0,1]=4 5262 B10R0.83 CCCCN[C@H](C)C(=O)NC 34a_100000684985_100000210210 [0,2,0,0,0,0|1,0,1]=4 5263 B10R0.83 CCCCOC(=O)C(C)NC 2230a_106832991635_100000759602 [0,2,0,0,0,0|1,0,1]=4 5264 B10R0.83 CCCCOC(=O)C(C)NC 34a_100102657272_100000759602 [0,2,0,0,0,0|1,0,1]=4 5265 B10R0.83 CCCCOC(=O)C(C)NC 7a_106832991635_100000759602 [0,2,0,0,0,0|1,0,1]=4 5266 B10R0.83 CCCCOC(=O)C(C)OC 34a_100000038973_200000210301 [0,2,0,0,0,0|0,0,2]=4 5267 B10R0.83 CCCCOC(=O)C(C)OC 34a_100138415774_100000759602 [0,2,0,0,0,0|0,0,2]=4 5268 B10R0.83 CCCCOC(=O)C(C)OC 7a_100000038973_200000210301 [0,2,0,0,0,0|0,0,2]=4 5269 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 34a_100000038973_200025704644 [0,2,0,0,0,0|0,0,2]=4 5270 B10R0.83 CCCCOC(=O)C(C)O[13CH3] 7a_100000038973_200025704644 [0,2,0,0,0,0|0,0,2]=4 5271 B10R0.83 CCCCOC(=O)C(C)SC 62a_100000759602_200000210301 [0,2,0,0,0,0|0,1,1]=4 5272 B10R0.83 CCCCOC(=O)C(C)SC 62a_200000210301_100000759602 [0,2,0,0,0,0|0,1,1]=4 5273 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_100000759602_200025704644 [0,2,0,0,0,0|0,1,1]=4 5274 B10R0.83 CCCCOC(=O)C(C)S[13CH3] 62a_200025704644_100000759602 [0,2,0,0,0,0|0,1,1]=4 5275 B10R0.83 CCCCOC(C)C(=O)CC 7a_100000210227_100000742827 [0,2,0,0,0,0|1,0,1]=4 5276 B10R0.83 CCCCOC(C)C(=O)NC 34a_100000210227_100000731044 [0,2,0,0,0,0|1,0,1]=4 5277 B10R0.83 CCCCOC(C)C(=O)NC 7a_100000210227_100000209862 [0,2,0,0,0,0|1,0,1]=4 5278 B10R0.83 CCCCOC(C)C(=O)OC 34a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 5279 B10R0.83 CCCCOC(C)C(=O)OC 34a_100011215400_100000210210 [0,2,0,0,0,0|1,0,1]=4 5280 B10R0.83 CCCCOC(C)C(=O)OC 7a_100000210227_100000211248 [0,2,0,0,0,0|1,0,1]=4 5281 B10R0.83 CCCCOC(F)C(=O)NC 34a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 5282 B10R0.83 CCCCOC(F)C(=O)NC 7a_100000210227_100009813575 [0,2,0,0,0,0|1,0,1]=4 5283 B10R0.83 CCCCSC(C)C(=O)CC 1458a_100000191163_100000210202 [0,2,0,0,0,0|1,0,1]=4 5284 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000210211_100000742827 [0,2,0,0,0,0|1,0,1]=4 5285 B10R0.83 CCCCSC(C)C(=O)CC 62a_100000742827_100000210210 [0,2,0,0,0,0|1,0,1]=4 5286 B10R0.83 CCCCSC(C)C(=O)CF 1458a_100000191163_100015361967 [0,2,0,0,0,0|1,0,1]=4 5287 B10R0.83 CCCCSC(C)C(=O)NC 11a_106832991635_100000191163 [0,2,0,0,0,0|1,0,1]=4 5288 B10R0.83 CCCCSC(C)C(=O)NC 1626a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 5289 B10R0.83 CCCCSC(C)C(=O)NC 240690a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 5290 B10R0.83 CCCCSC(C)C(=O)NC 527a_100102657272_100000191163 [0,2,0,0,0,0|1,0,1]=4 5291 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000209862_100000210210 [0,2,0,0,0,0|1,0,1]=4 5292 B10R0.83 CCCCSC(C)C(=O)NC 62a_100000210211_100000731044 [0,2,0,0,0,0|1,0,1]=4 5293 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000210211_100000211248 [0,2,0,0,0,0|1,0,1]=4 5294 B10R0.83 CCCCSC(C)C(=O)OC 62a_100000211248_100000210210 [0,2,0,0,0,0|1,0,1]=4 5295 B10R0.83 CCCCSC(F)C(=O)NC 62a_100000210211_100009813575 [0,2,0,0,0,0|1,0,1]=4 5296 B10R0.83 CCCCSC(F)C(=O)NC 62a_100009813575_100000210210 [0,2,0,0,0,0|1,0,1]=4 5297 B10R0.83 CCCNCC(=O)N(C)OC 2230a_100015207273_100000210303 [0,2,0,0,0,0|1,0,1]=4 5298 B10R0.83 CCCNCC(C)C(=O)NC 2230a_100015187722_100000210303 [0,2,0,0,0,0|1,0,1]=4 5299 B10R0.83 CCCNCC(C)C(=O)NC 34a_100015187722_100000210303 [0,2,0,0,0,0|1,0,1]=4 5300 B10R0.83 CCCNN=C(C)C(=O)OC 4a_100000740057_100000211753 [0,2,0,0,0,0|2,0,0]=4 5301 B10R0.83 CCCNNC(=O)C(=O)NC 22a_100000740057_100011218921 [0,2,0,0,0,0|1,0,0]=3 5302 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|0,0,0]=2 5303 B10R0.83 CCCOCC(=O)C(C)C#N 1458a_100000745993_100000703298 [0,2,0,0,0,0|1,0,1]=4 5304 B10R0.83 CCCOCC(=O)C(C)CC 1458a_100000745993_100000758301 [0,2,0,0,0,0|1,0,1]=4 5305 B10R0.83 CCCOCC(=O)N(C)CC 11a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5306 B10R0.83 CCCOCC(=O)N(C)CC 1626a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5307 B10R0.83 CCCOCC(=O)N(C)CC 240690a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5308 B10R0.83 CCCOCC(=O)N(C)CC 34a_100000210258_100000738999 [0,2,0,0,0,0|2,0,0]=4 5309 B10R0.83 CCCOCC(=O)N(C)CC 527a_100000225621_100000745993 [0,2,0,0,0,0|2,0,0]=4 5310 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000210258_100000698445 [0,2,0,0,0,0|1,0,1]=4 5311 B10R0.83 CCCOCC(C)C(=O)OC 34a_100000749362_100000210303 [0,2,0,0,0,0|1,0,1]=4 5312 B10R0.83 CCCOCC(C)C(=O)OC 7a_100000749362_100000210303 [0,2,0,0,0,0|1,0,1]=4 5313 B10R0.83 CCCOCC(F)C(=O)OC 34a_200009849844_100000210303 [0,2,0,0,0,0|1,0,1]=4 5314 B10R0.83 CCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210303 [0,2,0,0,0,0|1,0,1]=4 5315 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|0,0,0]=2 5316 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|0,0,0]=2 5317 B10R0.83 CCCSCC(=O)C(C)C#N 1458a_100000217233_100000703298 [0,2,0,0,0,0|1,0,1]=4 5318 B10R0.83 CCCSCC(=O)C(C)CC 1458a_100000217233_100000758301 [0,2,0,0,0,0|1,0,1]=4 5319 B10R0.83 CCCSCC(=O)N(C)CC 11a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5320 B10R0.83 CCCSCC(=O)N(C)CC 1626a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5321 B10R0.83 CCCSCC(=O)N(C)CC 240690a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5322 B10R0.83 CCCSCC(=O)N(C)CC 527a_100000225621_100000217233 [0,2,0,0,0,0|2,0,0]=4 5323 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000210303_100000738999 [0,2,0,0,0,0|2,0,0]=4 5324 B10R0.83 CCCSCC(=O)N(C)CC 62a_100000738999_100000210303 [0,2,0,0,0,0|2,0,0]=4 5325 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000210303_100000764215 [0,2,0,0,0,0|1,0,1]=4 5326 B10R0.83 CCCSCC(=O)N(C)OC 62a_100000764215_100000210303 [0,2,0,0,0,0|1,0,1]=4 5327 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000210303_100000698445 [0,2,0,0,0,0|1,0,1]=4 5328 B10R0.83 CCCSCC(C)C(=O)OC 62a_100000698445_100000210303 [0,2,0,0,0,0|1,0,1]=4 5329 B10R0.83 CCN(C)C(=O)CCCCO 1626a_100000225621_100000695505 [0,2,0,0,0,0|2,0,0]=4 5330 B10R0.83 CCN(C)C(=O)CCCOC 11a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5331 B10R0.83 CCN(C)C(=O)CCCOC 1626a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5332 B10R0.83 CCN(C)C(=O)CCCOC 240690a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5333 B10R0.83 CCN(C)C(=O)CCCOC 527a_100000225621_100000741012 [0,2,0,0,0,0|2,0,0]=4 5334 B10R0.83 CCN(C)C(=O)CCCSC 11a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5335 B10R0.83 CCN(C)C(=O)CCCSC 1626a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5336 B10R0.83 CCN(C)C(=O)CCCSC 240690a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5337 B10R0.83 CCN(C)C(=O)CCCSC 527a_100000225621_100000173376 [0,2,0,0,0,0|2,0,0]=4 5338 B10R0.83 CCNCCC(C)C(=O)OC 2230a_100015525214_100000034942 [0,2,0,0,0,0|1,0,1]=4 5339 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|0,0,0]=2 5340 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000749530_100000703298 [0,2,0,0,0,0|1,0,1]=4 5341 B10R0.83 CCOCCC(=O)C(C)C#N 1458a_100000753662_100011215890 [0,2,0,0,0,0|1,0,1]=4 5342 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100000749530_100000758301 [0,2,0,0,0,0|1,0,1]=4 5343 B10R0.83 CCOCCC(=O)C(C)CC 1458a_100011192722_100011215890 [0,2,0,0,0,0|1,0,1]=4 5344 B10R0.83 CCOCCC(=O)C(C)OC 1458a_100000743197_100011215890 [0,2,0,0,0,0|0,0,2]=4 5345 B10R0.83 CCOCCC(=O)C(C)SC 1458a_100000149566_100011215890 [0,2,0,0,0,0|0,1,1]=4 5346 B10R0.83 CCOCCC(=O)C(O)CC 1458a_100011196387_100011215890 [0,2,0,0,0,0|0,0,2]=4 5347 B10R0.83 CCOCCC(=O)C(O)CO 1458a_100011215603_100011215890 [0,2,0,0,0,0|0,0,2]=4 5348 B10R0.83 CCOCCC(=O)N(C)CC 11a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 5349 B10R0.83 CCOCCC(=O)N(C)CC 1626a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 5350 B10R0.83 CCOCCC(=O)N(C)CC 240690a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 5351 B10R0.83 CCOCCC(=O)N(C)CC 527a_100000225621_100000749530 [0,2,0,0,0,0|2,0,0]=4 5352 B10R0.83 CCOCCC(C)C(=O)OC 34a_100121572206_100000034942 [0,2,0,0,0,0|1,0,1]=4 5353 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|0,0,0]=2 5354 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000230768_100000703298 [0,2,0,0,0,0|1,0,1]=4 5355 B10R0.83 CCSCCC(=O)C(C)C#N 1458a_100000753662_100000757381 [0,2,0,0,0,0|1,0,1]=4 5356 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100000230768_100000758301 [0,2,0,0,0,0|1,0,1]=4 5357 B10R0.83 CCSCCC(=O)C(C)CC 1458a_100011192722_100000757381 [0,2,0,0,0,0|1,0,1]=4 5358 B10R0.83 CCSCCC(=O)C(C)OC 1458a_100000743197_100000757381 [0,2,0,0,0,0|0,0,2]=4 5359 B10R0.83 CCSCCC(=O)C(C)SC 1458a_100000149566_100000757381 [0,2,0,0,0,0|0,1,1]=4 5360 B10R0.83 CCSCCC(=O)C(O)CC 1458a_100011196387_100000757381 [0,2,0,0,0,0|0,0,2]=4 5361 B10R0.83 CCSCCC(=O)C(O)CO 1458a_100011215603_100000757381 [0,2,0,0,0,0|0,0,2]=4 5362 B10R0.83 CCSCCC(=O)N(C)CC 11a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 5363 B10R0.83 CCSCCC(=O)N(C)CC 1626a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 5364 B10R0.83 CCSCCC(=O)N(C)CC 240690a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 5365 B10R0.83 CCSCCC(=O)N(C)CC 527a_100000225621_100000230768 [0,2,0,0,0,0|2,0,0]=4 5366 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000034942_100000210202 [0,2,0,0,0,0|1,0,1]=4 5367 B10R0.83 CCSCCC(C)C(=O)OC 62a_100000210202_100000034942 [0,2,0,0,0,0|1,0,1]=4 5368 B10R0.83 CN(CCCCO)C(=O)CO 240690a_100000717598_100000210174 [0,2,0,0,0,0|2,0,0]=4 5369 B10R0.83 CNC(=O)C(=O)CC#CCO 1458a_100011218921_200000047223 [0,2,0,0,0,0|0,0,2]=4 5370 B10R0.83 CNC(=O)C(=O)CCCC#N 1458a_100011218921_100000211468 [0,2,0,0,0,0|0,0,1]=3 5371 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|0,0,0]=2 5372 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|0,0,0]=2 5373 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|0,0,0]=2 5374 B10R0.83 CNC(=O)C(=O)NCCC#N 1626a_100000720768_100011218921 [0,2,0,0,0,0|1,0,1]=4 5375 B10R0.83 CNC(=O)C(=O)NCCC#N 240690a_100000720768_100011218921 [0,2,0,0,0,0|1,0,1]=4 5376 B10R0.83 CNC(=O)C(=O)NCCC#N 527a_100000720768_100011218921 [0,2,0,0,0,0|1,0,1]=4 5377 B10R0.83 CNC(=O)C(=O)NCCCF 1626a_100015189416_100011218921 [0,2,0,0,0,0|1,0,0]=3 5378 B10R0.83 CNC(=O)C(=O)NCCCF 240690a_100015189416_100011218921 [0,2,0,0,0,0|1,0,0]=3 5379 B10R0.83 CNC(=O)C(=O)NCCCF 527a_100015189416_100011218921 [0,2,0,0,0,0|1,0,0]=3 5380 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|1,0,0]=3 5381 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|1,0,0]=3 5382 B10R0.83 CNC(=O)C(=O)NCCOC 1626a_100000209980_100011218921 [0,2,0,0,0,0|1,0,0]=3 5383 B10R0.83 CNC(=O)C(=O)NCCOC 240690a_100000209980_100011218921 [0,2,0,0,0,0|1,0,0]=3 5384 B10R0.83 CNC(=O)C(=O)NCCOC 527a_100000209980_100011218921 [0,2,0,0,0,0|1,0,0]=3 5385 B10R0.83 CNC(=O)C(=O)NCCSC 1626a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 5386 B10R0.83 CNC(=O)C(=O)NCCSC 240690a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 5387 B10R0.83 CNC(=O)C(=O)NCCSC 527a_100020590264_100011218921 [0,2,0,0,0,0|1,0,0]=3 5388 B10R0.83 CNC(=O)C(=O)NNCCO 22a_100000210001_100011218921 [0,2,0,0,0,0|2,0,0]=4 5389 B10R0.83 CNC(=O)N(C)CCCCO 2708a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 5390 B10R0.83 CNC(=O)N(C)CCCCO 273464a_100102657272_100000717598 [0,2,0,0,0,0|2,0,0]=4 5391 B10R0.83 CNC(=O)N(C)CCCOC 2708a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 5392 B10R0.83 CNC(=O)N(C)CCCOC 273464a_100102657272_100000224831 [0,2,0,0,0,0|2,0,0]=4 5393 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|1,0,1]=4 5394 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|1,0,0]=3 5395 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|1,0,0]=3 5396 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|1,0,0]=3 5397 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|1,0,0]=3 5398 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011215382_100011610305 [0,2,0,0,0,0|1,0,1]=4 5399 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011610305_100011215382 [0,2,0,0,0,0|1,0,1]=4 5400 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [0,2,0,0,0,0|1,0,1]=4 5401 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [0,2,0,0,0,0|1,0,1]=4 5402 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|1,0,0]=3 5403 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|1,0,0]=3 5404 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|1,0,0]=3 5405 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|1,0,0]=3 5406 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|1,0,0]=3 5407 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|1,0,0]=3 5408 B10R0.83 COC(=O)C(=O)NCCC#N 11a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 5409 B10R0.83 COC(=O)C(=O)NCCC#N 1626a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 5410 B10R0.83 COC(=O)C(=O)NCCC#N 240690a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 5411 B10R0.83 COC(=O)C(=O)NCCC#N 527a_100000720768_100000024059 [0,2,0,0,0,0|1,0,1]=4 5412 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 5413 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 5414 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 5415 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 5416 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 5417 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 5418 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 5419 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 5420 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 5421 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|1,0,0]=3 5422 B10R0.83 COC(C)C(=O)CCCCF 1458a_100000743197_100000729493 [0,2,0,0,0,0|0,0,2]=4 5423 B10R0.83 COC(C)C(=O)CCCCO 1458a_100000743197_100000210776 [0,2,0,0,0,0|0,0,2]=4 5424 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000741012_100000703298 [0,2,0,0,0,0|1,0,1]=4 5425 B10R0.83 COCCCC(=O)C(C)C#N 1458a_100000753662_100000740836 [0,2,0,0,0,0|1,0,1]=4 5426 B10R0.83 COCCCC(=O)C(C)OC 1458a_100000743197_100000740836 [0,2,0,0,0,0|0,0,2]=4 5427 B10R0.83 COCCCC(=O)C(C)SC 1458a_100000149566_100000740836 [0,2,0,0,0,0|0,1,1]=4 5428 B10R0.83 COCCCC(=O)C(O)CO 1458a_100011215603_100000740836 [0,2,0,0,0,0|0,0,2]=4 5429 B10R0.83 COCCCN(C)C(=O)CO 240690a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 5430 B10R0.83 COCCCN(C)C(=O)CO 527a_100000224831_100000210174 [0,2,0,0,0,0|2,0,0]=4 5431 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 5432 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 5433 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|1,0,0]=3 5434 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|1,0,0]=3 5435 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|1,0,0]=3 5436 B10R0.83 CON(C)C(=O)CCCSC 62a_100011842776_200000210301 [0,2,0,0,0,0|1,0,1]=4 5437 B10R0.83 CON(C)C(=O)CCCSC 62a_200000210301_100011842776 [0,2,0,0,0,0|1,0,1]=4 5438 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_100011842776_200025704644 [0,2,0,0,0,0|1,0,1]=4 5439 B10R0.83 CON(C)C(=O)CCCS[13CH3] 62a_200025704644_100011842776 [0,2,0,0,0,0|1,0,1]=4 5440 B10R0.83 CSC(C)C(=O)CCCCF 1458a_100000149566_100000729493 [0,2,0,0,0,0|0,1,1]=4 5441 B10R0.83 CSC(C)C(=O)CCCCO 1458a_100000149566_100000210776 [0,2,0,0,0,0|0,1,1]=4 5442 B10R0.83 CSCCCC(=O)C(C)C#N 1458a_100000173376_100000703298 [0,2,0,0,0,0|1,0,1]=4 5443 B10R0.83 O=C(CCCCF)C(O)CO 1458a_100011215603_100000729493 [0,2,0,0,0,0|0,0,2]=4 5444 B10R0.83 O=C(CCCCO)C(O)CO 1458a_100011215603_100000210776 [0,2,0,0,0,0|0,0,2]=4 5445 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000210414_200011216223 [0,2,0,0,0,0|1,0,1]=4 5446 B10R0.85 CCCCC(CC)C(=O)CC 1458a_100000211130_100000210202 [0,2,0,0,0,0|1,0,1]=4 5447 B10R0.85 CCCCC(CC)C(=O)CF 1458a_100000211130_100015361967 [0,2,0,0,0,0|1,0,1]=4 5448 B10R0.85 CCCCC(CC)C(=O)CO 1458a_100000210174_200011216223 [0,2,0,0,0,0|1,0,1]=4 5449 B10R0.85 CCCCC(CC)C(=O)NC 11a_106832991635_100000211130 [0,2,0,0,0,0|1,0,1]=4 5450 B10R0.85 CCCCC(CC)C(=O)NC 1626a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5451 B10R0.85 CCCCC(CC)C(=O)NC 240690a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5452 B10R0.85 CCCCC(CC)C(=O)NC 527a_100102657272_100000211130 [0,2,0,0,0,0|1,0,1]=4 5453 B10R0.85 CCCCC(NC)C(=O)OC 2230a_106832991635_100000750740 [0,2,0,0,0,0|1,0,1]=4 5454 B10R0.85 CCCCC(NC)C(=O)OC 34a_100102657272_100000750740 [0,2,0,0,0,0|1,0,1]=4 5455 B10R0.85 CCCCC(NC)C(=O)OC 7a_106832991635_100000750740 [0,2,0,0,0,0|1,0,1]=4 5456 B10R0.85 CCCCC(OC)C(=O)OC 34a_100138415774_100000750740 [0,2,0,0,0,0|0,0,2]=4 5457 B10R0.85 CCCCC(SC)C(=O)OC 62a_100000750740_200000210301 [0,2,0,0,0,0|0,1,1]=4 5458 B10R0.85 CCCCC(SC)C(=O)OC 62a_200000210301_100000750740 [0,2,0,0,0,0|0,1,1]=4 5459 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_100000750740_200025704644 [0,2,0,0,0,0|0,1,1]=4 5460 B10R0.85 CCCCC(S[13CH3])C(=O)OC 62a_200025704644_100000750740 [0,2,0,0,0,0|0,1,1]=4 5461 B10R0.85 CCCCN(CC)C(=O)CC 11a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 5462 B10R0.85 CCCCN(CC)C(=O)CC 1626a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 5463 B10R0.85 CCCCN(CC)C(=O)CC 240690a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 5464 B10R0.85 CCCCN(CC)C(=O)CC 527a_100000207695_100000210414 [0,2,0,0,0,0|2,0,0]=4 5465 B10R0.85 CCCCN(CC)C(=O)CO 240690a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 5466 B10R0.85 CCCCN(CC)C(=O)CO 527a_100000207695_100000210174 [0,2,0,0,0,0|2,0,0]=4 5467 B10R0.85 CCCCN(CC)C(=O)NC 2708a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 5468 B10R0.85 CCCCN(CC)C(=O)NC 273464a_100102657272_100000207695 [0,2,0,0,0,0|2,0,0]=4 5469 B10R0.85 CCCOC(C=O)C(=O)OC 34a_100000210258_100000046368 [0,2,0,0,0,0|1,0,1]=4 5470 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000046368_100000210303 [0,2,0,0,0,0|1,0,1]=4 5471 B10R0.85 CCCSC(C=O)C(=O)OC 62a_100000210303_100000046368 [0,2,0,0,0,0|1,0,1]=4 5472 B10R0.124 CCCCC(C)(C)C(=O)CC 1458a_100011216040_100000210202 [0,2,0,0,0,0|1,0,1]=4 5473 B10R0.124 CCCCC(C)(C)C(=O)CF 1458a_100011216040_100015361967 [0,2,0,0,0,0|1,0,1]=4 5474 B10R0.124 CCCCC(C)(C)C(=O)NC 11a_106832991635_100011216040 [0,2,0,0,0,0|1,0,1]=4 5475 B10R0.124 CCCCC(C)(C)C(=O)NC 1626a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5476 B10R0.124 CCCCC(C)(C)C(=O)NC 240690a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5477 B10R0.124 CCCCC(C)(C)C(=O)NC 527a_100102657272_100011216040 [0,2,0,0,0,0|1,0,1]=4 5478 B10R0.124 CCCCC(C)(O)C(=O)CC 1458a_100000137666_100000210202 [0,2,0,0,0,0|0,0,2]=4 5479 B10R0.124 CCCCC(C)(O)C(=O)CF 1458a_100000137666_100015361967 [0,2,0,0,0,0|0,0,2]=4 5480 B10R0.124 CCCCC(C)(O)C(=O)NC 240690a_100102657272_100000137666 [0,2,0,0,0,0|0,0,2]=4 5481 B10R0.124 CCCCC(F)(F)C(=O)CC 1458a_100000100317_100000210202 [0,2,0,0,0,0|1,0,1]=4 5482 B10R0.124 CCCCC(F)(F)C(=O)CF 1458a_100000100317_100015361967 [0,2,0,0,0,0|1,0,1]=4 5483 B10R0.124 CCCCC(F)(F)C(=O)NC 11a_106832991635_100000100317 [0,2,0,0,0,0|1,0,1]=4 5484 B10R0.124 CCCCC(F)(F)C(=O)NC 1626a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5485 B10R0.124 CCCCC(F)(F)C(=O)NC 240690a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5486 B10R0.124 CCCCC(F)(F)C(=O)NC 527a_100102657272_100000100317 [0,2,0,0,0,0|1,0,1]=4 5487 B10R0.17 CCCCC(C(=O)C)C(=O)N 1458a_100000070787_100000748834 [0,2,0,0,0,0|0,0,1]=3 5488 B10R0.17 CCCCN(C(=O)C)C(C)C 11a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 5489 B10R0.17 CCCCN(C(=O)C)C(C)C 1626a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 5490 B10R0.17 CCCCN(C(=O)C)C(C)C 240690a_100000207398_100015343762 [0,2,0,0,0,0|2,0,0]=4 5491 B10R0.17 CCCCN(C(=O)C)C(C)C 527a_100000207398_100103153847 [0,2,0,0,0,0|2,0,0]=4 5492 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210303_100000210371 [0,2,0,0,0,0|1,0,1]=4 5493 B10R0.17 CCCSC(C(=O)C)C(=O)C 62a_100000210371_100000210303 [0,2,0,0,0,0|1,0,1]=4 5494 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 5495 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 5496 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [0,2,0,0,0,0|2,0,0]=4 5497 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [0,2,0,0,0,0|2,0,0]=4 5498 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,2,0,0,0,0|1,0,1]=4 5499 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,2,0,0,0,0|1,0,1]=4 5500 B10R0.86 CCN(CCCCO)C(=O)C 240690a_100011217355_100015343762 [0,2,0,0,0,0|2,0,0]=4 5501 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,2,0,0,0,0|1,0,1]=4 5502 B10R0.88 CCCCN(CC#N)C(=O)C 11a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 5503 B10R0.88 CCCCN(CC#N)C(=O)C 1626a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 5504 B10R0.88 CCCCN(CC#N)C(=O)C 240690a_200011192266_100015343762 [0,2,0,0,0,0|2,0,0]=4 5505 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 5506 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 5507 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,2,0,0,0,0|2,0,0]=4 5508 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,2,0,0,0,0|2,0,0]=4 5509 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,2,0,0,0,0|1,0,1]=4 5510 B10R0.26 C#CCC(=O)CC(=O)C(=O)C 1458a_100011220946_100011261029 [0,2,0,0,0,0|0,0,2]=4 5511 B10R0.26 C#CCN(C)CC(=O)C(=O)C 34a_100000225692_100011261029 [0,2,0,0,0,0|0,0,2]=4 5512 B10R0.26 C=C(Br)C(=O)NC(C)CCC 11a_100000741246_100009813364 [0,2,0,0,0,0|1,0,1]=4 5513 B10R0.26 C=C(Br)C(=O)NC(C)CCC 1626a_100000741246_100009813364 [0,2,0,0,0,0|1,0,1]=4 5514 B10R0.26 C=C(C)C(=O)CC(=O)CCC 1458a_100000185857_100000747444 [0,2,0,0,0,0|1,0,0]=3 5515 B10R0.26 C=C(C)C(=O)CC(=O)NCC 1458a_100000185857_100000183381 [0,2,0,0,0,0|1,0,1]=4 5516 B10R0.26 C=C(C)C(=O)CC(=O)OCC 1458a_100000185857_100000188475 [0,2,0,0,0,0|1,0,1]=4 5517 B10R0.26 C=C(C)C(=O)CC(C)CCC 1458a_100000185857_100011216630 [0,2,0,0,0,0|1,0,0]=3 5518 B10R0.26 C=C(C)C(=O)NC(C)CCC 11a_100000741246_100000185857 [0,2,0,0,0,0|1,0,0]=3 5519 B10R0.26 C=C(C)C(=O)NC(C)CCC 1626a_100000741246_100000185857 [0,2,0,0,0,0|1,0,0]=3 5520 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 11a_100000764878_100000185857 [0,2,0,0,0,0|2,0,0]=4 5521 B10R0.26 C=C(C)C(=O)N[C@H](C)COC 1626a_100000764878_100000185857 [0,2,0,0,0,0|2,0,0]=4 5522 B10R0.26 C=C(CCC)CC(=O)C(C)C 1458a_100000138376_100000210206 [0,2,0,0,0,0|1,0,1]=4 5523 B10R0.26 C=C(CCC)CC(=O)N(C)C 11a_100102631434_100000138376 [0,2,0,0,0,0|2,0,0]=4 5524 B10R0.26 C=C(CCC)CC(=O)N(C)C 240690a_100102631434_100000138376 [0,2,0,0,0,0|2,0,0]=4 5525 B10R0.26 C=C(CCC)CC(=O)N(C)C 527a_100102631434_100000138376 [0,2,0,0,0,0|2,0,0]=4 5526 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 11a_100000741246_100000039160 [0,2,0,0,0,0|1,0,1]=4 5527 B10R0.26 C=C(Cl)C(=O)NC(C)CCC 1626a_100000741246_100000039160 [0,2,0,0,0,0|1,0,1]=4 5528 B10R0.26 C=C(F)C(=O)NC(C)CCC 11a_100000741246_100000036797 [0,2,0,0,0,0|1,0,1]=4 5529 B10R0.26 C=C(F)C(=O)NC(C)CCC 1626a_100000741246_100000036797 [0,2,0,0,0,0|1,0,1]=4 5530 B10R0.26 C=CCC(=O)CC(=O)C(=O)C 1458a_100000210193_100011261029 [0,2,0,0,0,0|0,0,2]=4 5531 B10R0.26 C=CCN(C)CC(=O)C(=O)C 269982a_100000225617_100011261029 [0,2,0,0,0,0|0,0,2]=4 5532 B10R0.26 CC#CC(=O)CC(=O)C(=O)C 1458a_100000763181_100011261029 [0,2,0,0,0,0|0,0,2]=4 5533 B10R0.26 CC(=O)C(=O)CC(=O)CC#N 1458a_100051588842_100011261029 [0,2,0,0,0,0|0,0,2]=4 5534 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [0,2,0,0,0,0|0,0,1]=3 5535 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,2,0,0,0,0|1,0,0]=3 5536 B10R0.26 CC=CC(=O)CC(=O)C(=O)C 1458a_100000210699_100011261029 [0,2,0,0,0,0|0,0,2]=4 5537 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|0,0,0]=2 5538 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000210198_100000747444 [0,2,0,0,0,0|1,0,1]=4 5539 B10R0.26 CCCC(=O)CC(=O)C(C)C 1458a_100000211992_100000753385 [0,2,0,0,0,0|1,0,1]=4 5540 B10R0.26 CCCC(=O)CC(=O)C(C)F 1458a_100000062450_100000747444 [0,2,0,0,0,0|1,0,1]=4 5541 B10R0.26 CCCC(=O)CC(=O)N(C)C 1458a_100000211992_100000185267 [0,2,0,0,0,0|2,0,0]=4 5542 B10R0.26 CCCC(=O)CC(=O)[C@@H](C)O 1458a_100000717761_100000747444 [0,2,0,0,0,0|0,0,2]=4 5543 B10R0.26 CCCC(=O)CC(=O)[C@H](C)O 1458a_217856618621_100000747444 [0,2,0,0,0,0|0,0,2]=4 5544 B10R0.26 CCCC(=O)CN(C)C(=O)C 1458a_100000194957_100000210303 [0,2,0,0,0,0|2,0,0]=4 5545 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000210198_100011216630 [0,2,0,0,0,0|1,0,1]=4 5546 B10R0.26 CCCC(C)CC(=O)C(C)C 1458a_100000748435_100000210206 [0,2,0,0,0,0|1,0,1]=4 5547 B10R0.26 CCCC(C)CC(=O)C(C)F 1458a_100000062450_100011216630 [0,2,0,0,0,0|1,0,1]=4 5548 B10R0.26 CCCC(C)CC(=O)N(C)C 11a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 5549 B10R0.26 CCCC(C)CC(=O)N(C)C 1626a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 5550 B10R0.26 CCCC(C)CC(=O)N(C)C 240690a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 5551 B10R0.26 CCCC(C)CC(=O)N(C)C 527a_100102631434_100000748435 [0,2,0,0,0,0|2,0,0]=4 5552 B10R0.26 CCCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100011216630 [0,2,0,0,0,0|0,0,2]=4 5553 B10R0.26 CCCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100011216630 [0,2,0,0,0,0|0,0,2]=4 5554 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|1,0,0]=3 5555 B10R0.26 CCCC(C)NC(=O)C(C)C 11a_100000741246_100000210198 [0,2,0,0,0,0|1,0,1]=4 5556 B10R0.26 CCCC(C)NC(=O)C(C)C 1626a_100000741246_100000210198 [0,2,0,0,0,0|1,0,1]=4 5557 B10R0.26 CCCC(C)NC(=O)C(C)C 240690a_100000741246_100000210198 [0,2,0,0,0,0|1,0,1]=4 5558 B10R0.26 CCCC(C)NC(=O)C(C)C 527a_100000741246_100000210198 [0,2,0,0,0,0|1,0,1]=4 5559 B10R0.26 CCCC(C)NC(=O)C(C)F 11a_100000741246_100000062450 [0,2,0,0,0,0|1,0,1]=4 5560 B10R0.26 CCCC(C)NC(=O)C(C)F 1626a_100000741246_100000062450 [0,2,0,0,0,0|1,0,1]=4 5561 B10R0.26 CCCC(C)NC(=O)C(C)F 240690a_100000741246_100000062450 [0,2,0,0,0,0|1,0,1]=4 5562 B10R0.26 CCCC(C)NC(=O)C(C)F 527a_100000741246_100000062450 [0,2,0,0,0,0|1,0,1]=4 5563 B10R0.26 CCCC(C)NC(=O)N(C)C 2708a_100000741246_100102631434 [0,2,0,0,0,0|2,0,0]=4 5564 B10R0.26 CCCC(C)NC(=O)[C@@H](C)O 240690a_100000741246_100000717761 [0,2,0,0,0,0|0,0,2]=4 5565 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 1626a_100000741246_217856618621 [0,2,0,0,0,0|0,0,2]=4 5566 B10R0.26 CCCC(C)NC(=O)[C@H](C)O 240690a_100000741246_217856618621 [0,2,0,0,0,0|0,0,2]=4 5567 B10R0.26 CCCC(C)NC(C)C(=O)C 2230a_100000741246_100009814033 [0,2,0,0,0,0|1,0,1]=4 5568 B10R0.26 CCCC(C)OC(C)C(=O)C 34a_100000212229_100000766640 [0,2,0,0,0,0|1,0,1]=4 5569 B10R0.26 CCCC(C)OC(C)C(=O)C 7a_100000764384_100000179758 [0,2,0,0,0,0|1,0,1]=4 5570 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100000766640_100009814033 [0,2,0,0,0,0|1,0,1]=4 5571 B10R0.26 CCCC(C)SC(C)C(=O)C 62a_100009814033_100000766640 [0,2,0,0,0,0|1,0,1]=4 5572 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|0,0,0]=2 5573 B10R0.26 CCCN(C)CC(=O)C(C)C 2230a_100000747261_100000753385 [0,2,0,0,0,0|1,0,1]=4 5574 B10R0.26 CCCN(C)CC(=O)C(C)C 269982a_100000747261_100000753385 [0,2,0,0,0,0|1,0,1]=4 5575 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000185065_100000210303 [0,2,0,0,0,0|2,0,0]=4 5576 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000213585_200000210301 [0,2,0,0,0,0|2,0,0]=4 5577 B10R0.26 CCCN(C)CC(=O)N(C)C 2230a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 5578 B10R0.26 CCCN(C)CC(=O)N(C)C 269982a_100000747261_100000185267 [0,2,0,0,0,0|2,0,0]=4 5579 B10R0.26 CCCN([13CH3])CC(=O)N(C)C 2230a_100000213585_200025704644 [0,2,0,0,0,0|2,0,0]=4 5580 B10R0.26 CCCS(=O)CC(=O)C(C)C 1458a_100011387404_100000210206 [0,2,0,0,0,0|1,0,1]=4 5581 B10R0.26 CCCS(=O)CC(=O)N(C)C 11a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 5582 B10R0.26 CCCS(=O)CC(=O)N(C)C 1626a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 5583 B10R0.26 CCCS(=O)CC(=O)N(C)C 240690a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 5584 B10R0.26 CCCS(=O)CC(=O)N(C)C 527a_100102631434_100011387404 [0,2,0,0,0,0|2,0,0]=4 5585 B10R0.26 CCSC(C)CC(=O)C(C)C 1458a_200011311441_100000210206 [0,2,0,0,0,0|1,0,1]=4 5586 B10R0.26 CCSC(C)CC(=O)N(C)C 11a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 5587 B10R0.26 CCSC(C)CC(=O)N(C)C 1626a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 5588 B10R0.26 CCSC(C)CC(=O)N(C)C 240690a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 5589 B10R0.26 CCSC(C)CC(=O)N(C)C 527a_100102631434_200011311441 [0,2,0,0,0,0|2,0,0]=4 5590 B10R0.26 COCC(=O)CC(=O)C(=O)C 1458a_100000210968_100011261029 [0,2,0,0,0,0|0,0,1]=3 5591 B10R0.26 COCC(O)CN(C)C(=O)C 240690a_100000739405_100015343762 [0,2,0,0,0,0|2,0,0]=4 5592 B10R0.26 COCC(O)CN(C)C(=O)C 527a_100000739405_100103153847 [0,2,0,0,0,0|2,0,0]=4 5593 B10R0.26 COC[C@@H](C)NC(=O)C(=O)N 240690a_100000764878_100011215815 [0,2,0,0,0,0|2,0,0]=4 5594 B10R0.26 CSCC(=O)CC(=O)C(=O)C 1458a_100000184570_100011261029 [0,2,0,0,0,0|0,0,1]=3 5595 B10R0.26 C[C@H](CCO)NC(=O)C(=O)N 240690a_100000706166_100011215815 [0,2,0,0,0,0|2,0,0]=4 5596 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 11a_100000211385_100000185857 [0,2,0,0,0,0|2,0,0]=4 5597 B10R0.67 C=C(C)C(=O)NC(C)(C)CC 1626a_100000211385_100000185857 [0,2,0,0,0,0|2,0,0]=4 5598 B10R0.67 CCC(C)(C)CC(=O)C(C)C 1458a_200000763500_100000210206 [0,2,0,0,0,0|1,0,1]=4 5599 B10R0.67 CCC(C)(C)CC(=O)N(C)C 11a_100102631434_200000763500 [0,2,0,0,0,0|2,0,0]=4 5600 B10R0.67 CCC(C)(C)CC(=O)N(C)C 1626a_100102631434_200000763500 [0,2,0,0,0,0|2,0,0]=4 5601 B10R0.67 CCC(C)(C)CC(=O)N(C)C 240690a_100102631434_200000763500 [0,2,0,0,0,0|2,0,0]=4 5602 B10R0.67 CCC(C)(C)CC(=O)N(C)C 527a_100102631434_200000763500 [0,2,0,0,0,0|2,0,0]=4 5603 B10R0.67 CCC(C)(C)NC(=O)C(=O)C 1458a_200011297151_200000210301 [0,2,0,0,0,0|1,0,0]=3 5604 B10R0.67 CCC(C)(C)NC(=O)C(=O)N 240690a_100000211385_100011215815 [0,2,0,0,0,0|2,0,0]=4 5605 B10R0.67 CCC(C)(C)NC(=O)C(=O)[13CH3] 1458a_200011297151_200025704644 [0,2,0,0,0,0|1,0,0]=3 5606 B10R0.67 CCC(C)(O)CC(=O)C(C)C 1458a_200011219800_100000210206 [0,2,0,0,0,0|1,0,1]=4 5607 B10R0.67 CCC(C)(O)CC(=O)N(C)C 240690a_100102631434_200011219800 [0,2,0,0,0,0|2,0,0]=4 5608 B10R0.67 CCC(C)(O)CC(=O)N(C)C 527a_100102631434_200011219800 [0,2,0,0,0,0|2,0,0]=4 5609 B10R0.72 C=C(C)C(=O)CC(CC)CC 1458a_100000185857_100011215472 [0,2,0,0,0,0|1,0,0]=3 5610 B10R0.72 C=C(C)C(=O)CC(OC)OC 1458a_100000185857_100000751394 [0,2,0,0,0,0|2,0,0]=4 5611 B10R0.72 C=C(C)C(=O)NC(CC)CC 11a_100000199018_100000185857 [0,2,0,0,0,0|2,0,0]=4 5612 B10R0.72 C=C(C)C(=O)NC(CC)CC 1626a_100000199018_100000185857 [0,2,0,0,0,0|2,0,0]=4 5613 B10R0.72 C=C(CN(CC)CC)C(=O)C 1458a_200011356447_200000210301 [0,2,0,0,0,0|2,0,0]=4 5614 B10R0.72 C=C(CN(CC)CC)C(=O)[13CH3] 1458a_200011356447_200025704644 [0,2,0,0,0,0|2,0,0]=4 5615 B10R0.72 CCC(CC)CC(=O)C(C)C 1458a_100000210198_100011215472 [0,2,0,0,0,0|1,0,1]=4 5616 B10R0.72 CCC(CC)CC(=O)C(C)F 1458a_100000062450_100011215472 [0,2,0,0,0,0|1,0,1]=4 5617 B10R0.72 CCC(CC)CC(=O)[C@@H](C)O 1458a_100000717761_100011215472 [0,2,0,0,0,0|0,0,2]=4 5618 B10R0.72 CCC(CC)CC(=O)[C@H](C)O 1458a_217856618621_100011215472 [0,2,0,0,0,0|0,0,2]=4 5619 B10R0.72 CCC(CC)NC(=O)C(=O)N 240690a_100000199018_100011215815 [0,2,0,0,0,0|2,0,0]=4 5620 B10R0.72 CCN(CC)CC(=O)C(=O)C 269956a_100000042499_100011261029 [0,2,0,0,0,0|1,0,0]=3 5621 B10R0.72 CCN(CC)CC(=O)C(=O)C 269982a_100000724800_100011261029 [0,2,0,0,0,0|1,0,0]=3 5622 B10R0.72 CC[C@@H](CO)NC(=O)C(=O)N 240690a_100000709445_100011215815 [0,2,0,0,0,0|2,0,0]=4 5623 B10R0.42 CCCCNC(C)(C)C(=O)C 7a_106832991798_100000075568 [0,2,0,0,0,0|1,0,1]=4 5624 B10R0.42 CCCCOC(C)(C)C(=O)C 34a_100000747739_100000210210 [0,2,0,0,0,0|1,0,1]=4 5625 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000210227_100000075568 [0,2,0,0,0,0|1,0,1]=4 5626 B10R0.42 CCCCOC(C)(C)C(=O)C 7a_100000747739_100000210211 [0,2,0,0,0,0|1,0,1]=4 5627 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000075568_100000210210 [0,2,0,0,0,0|1,0,1]=4 5628 B10R0.42 CCCCSC(C)(C)C(=O)C 62a_100000210211_100000075568 [0,2,0,0,0,0|1,0,1]=4 5629 B10R0.75 C#CCCCCC(=O)C(=C)C 1458a_100000185857_100010269958 [0,2,0,0,0,0|1,0,0]=3 5630 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000210198_100010269958 [0,2,0,0,0,0|1,0,1]=4 5631 B10R0.75 C#CCCCCC(=O)C(C)C 1458a_100000696528_100000210206 [0,2,0,0,0,0|1,0,1]=4 5632 B10R0.75 C#CCCCCC(=O)C(C)F 1458a_100000062450_100010269958 [0,2,0,0,0,0|1,0,1]=4 5633 B10R0.75 C#CCCCCC(=O)N(C)C 11a_100102631434_100000696528 [0,2,0,0,0,0|2,0,0]=4 5634 B10R0.75 C#CCCCCC(=O)N(C)C 1626a_100102631434_100000696528 [0,2,0,0,0,0|2,0,0]=4 5635 B10R0.75 C#CCCCCC(=O)N(C)C 240690a_100102631434_100000696528 [0,2,0,0,0,0|2,0,0]=4 5636 B10R0.75 C#CCCCCC(=O)N(C)C 527a_100102631434_100000696528 [0,2,0,0,0,0|2,0,0]=4 5637 B10R0.75 C#CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100010269958 [0,2,0,0,0,0|0,0,2]=4 5638 B10R0.75 C#CCCCCC(=O)[C@H](C)O 1458a_217856618621_100010269958 [0,2,0,0,0,0|0,0,2]=4 5639 B10R0.75 C#CCCCNC(=O)C(=C)C 11a_100000718082_100000185857 [0,2,0,0,0,0|1,0,1]=4 5640 B10R0.75 C#CCCCNC(=O)C(=C)C 1626a_100000718082_100000185857 [0,2,0,0,0,0|1,0,1]=4 5641 B10R0.75 C#CCCCNC(=O)C(=O)N 240690a_100000718082_100011215815 [0,2,0,0,0,0|1,0,1]=4 5642 B10R0.75 C#CCCNCC(=O)C(=O)C 34a_100000755551_100011261029 [0,2,0,0,0,0|0,0,1]=3 5643 B10R0.75 C#CCCOCC(=O)C(=O)C 34a_100011215631_100011261029 [0,2,0,0,0,0|0,0,1]=3 5644 B10R0.75 C#CCCSCC(=O)C(=O)C 62a_100000688953_100011261029 [0,2,0,0,0,0|0,0,1]=3 5645 B10R0.75 C#CCCSCC(=O)C(=O)C 62a_100011261029_100000688953 [0,2,0,0,0,0|0,0,1]=3 5646 B10R0.75 C#CCOCCC(=O)C(=C)C 1458a_100000185857_100010402529 [0,2,0,0,0,0|1,0,1]=4 5647 B10R0.75 C/C=C/COCC(=O)C(=O)C 34a_100016270725_100011261029 [0,2,0,0,0,0|0,0,1]=3 5648 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100011261029_100102629194 [0,2,0,0,0,0|0,0,1]=3 5649 B10R0.75 C/C=C/CSCC(=O)C(=O)C 62a_100102629194_100011261029 [0,2,0,0,0,0|0,0,1]=3 5650 B10R0.75 C=C(Br)C(=O)NCCCCC 11a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 5651 B10R0.75 C=C(Br)C(=O)NCCCCC 1626a_100000209983_100009813364 [0,2,0,0,0,0|1,0,1]=4 5652 B10R0.75 C=C(Br)C(=O)NCCCOC 1626a_100150723488_100009813364 [0,2,0,0,0,0|1,0,1]=4 5653 B10R0.75 C=C(Br)C(=O)NCCCSC 11a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 5654 B10R0.75 C=C(Br)C(=O)NCCCSC 1626a_100000749238_100009813364 [0,2,0,0,0,0|1,0,1]=4 5655 B10R0.75 C=C(Br)C(=O)NCCOCC 11a_100011200944_100009813364 [0,2,0,0,0,0|1,0,1]=4 5656 B10R0.75 C=C(Br)C(=O)NCCOCC 1626a_102516460346_100009813364 [0,2,0,0,0,0|1,0,1]=4 5657 B10R0.75 C=C(Br)C(=O)NCCSCC 11a_100000106463_100009813364 [0,2,0,0,0,0|1,0,1]=4 5658 B10R0.75 C=C(Br)C(=O)NCCSCC 1626a_100000106463_100009813364 [0,2,0,0,0,0|1,0,1]=4 5659 B10R0.75 C=C(C)C(=NNCCCC)C 4a_100025702795_100011216138 [0,2,0,0,0,0|2,0,0]=4 5660 B10R0.75 C=C(C)C(=O)CC/C=C\CC 1458a_100000185857_100015370543 [0,2,0,0,0,0|1,0,0]=3 5661 B10R0.75 C=C(C)C(=O)CCCCC#N 1458a_100000185857_100000211819 [0,2,0,0,0,0|1,0,0]=3 5662 B10R0.75 C=C(C)C(=O)CCCCCC 1458a_100000185857_100000210757 [0,2,0,0,0,0|1,0,0]=3 5663 B10R0.75 C=C(C)C(=O)CCCCCF 1458a_100000185857_100000729378 [0,2,0,0,0,0|1,0,0]=3 5664 B10R0.75 C=C(C)C(=O)CCCCCO 1458a_100000185857_100000746330 [0,2,0,0,0,0|1,0,0]=3 5665 B10R0.75 C=C(C)C(=O)CCCCOC 1458a_100000185857_100000755781 [0,2,0,0,0,0|1,0,0]=3 5666 B10R0.75 C=C(C)C(=O)CCCOCC 1458a_100000185857_100012232248 [0,2,0,0,0,0|1,0,0]=3 5667 B10R0.75 C=C(C)C(=O)CCOCC#N 1458a_100000185857_200000047693 [0,2,0,0,0,0|1,0,1]=4 5668 B10R0.75 C=C(C)C(=O)CCOCCC 1458a_100000185857_100011215938 [0,2,0,0,0,0|1,0,0]=3 5669 B10R0.75 C=C(C)C(=O)CCOCCO 1458a_100000185857_100011215305 [0,2,0,0,0,0|1,0,0]=3 5670 B10R0.75 C=C(C)C(=O)COCCCC 1458a_100000185857_100011995733 [0,2,0,0,0,0|1,0,0]=3 5671 B10R0.75 C=C(C)C(=O)NCCCCC 11a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 5672 B10R0.75 C=C(C)C(=O)NCCCCC 1626a_100000209983_100000185857 [0,2,0,0,0,0|1,0,0]=3 5673 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|1,0,0]=3 5674 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|1,0,0]=3 5675 B10R0.75 C=C(C)C(=O)NCCCOC 1626a_100150723488_100000185857 [0,2,0,0,0,0|1,0,0]=3 5676 B10R0.75 C=C(C)C(=O)NCCCSC 11a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 5677 B10R0.75 C=C(C)C(=O)NCCCSC 1626a_100000749238_100000185857 [0,2,0,0,0,0|1,0,0]=3 5678 B10R0.75 C=C(C)C(=O)NCCNCC 2230a_100102636416_100000210202 [0,2,0,0,0,0|1,0,0]=3 5679 B10R0.75 C=C(C)C(=O)NCCOCC 11a_100011200944_100000185857 [0,2,0,0,0,0|1,0,0]=3 5680 B10R0.75 C=C(C)C(=O)NCCOCC 1626a_102516460346_100000185857 [0,2,0,0,0,0|1,0,0]=3 5681 B10R0.75 C=C(C)C(=O)NCCSCC 11a_100000106463_100000185857 [0,2,0,0,0,0|1,0,0]=3 5682 B10R0.75 C=C(C)C(=O)NCCSCC 1626a_100000106463_100000185857 [0,2,0,0,0,0|1,0,0]=3 5683 B10R0.75 C=C(C)C(=O)NNCCCC 22a_100025702795_100000185857 [0,2,0,0,0,0|1,0,0]=3 5684 B10R0.75 C=C(C)C(=O)NNCCOC 22a_100000741390_100000185857 [0,2,0,0,0,0|2,0,0]=4 5685 B10R0.75 C=C(C)C(=O)OCCCOC 7a_100000032641_200000210301 [0,2,0,0,0,0|1,0,0]=3 5686 B10R0.75 C=C(C)C(=O)OCCCO[13CH3] 7a_100000032641_200025704644 [0,2,0,0,0,0|1,0,0]=3 5687 B10R0.75 C=C(C)C(=O)OCCNCC 2230a_100015525214_100009816335 [0,2,0,0,0,0|1,0,0]=3 5688 B10R0.75 C=C(C)C(=O)OCCOCC 34a_100121572206_100009816335 [0,2,0,0,0,0|1,0,0]=3 5689 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100000210202_100009816335 [0,2,0,0,0,0|1,0,0]=3 5690 B10R0.75 C=C(C)C(=O)OCCSCC 62a_100009816335_100000210202 [0,2,0,0,0,0|1,0,0]=3 5691 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100009816335_100015361967 [0,2,0,0,0,0|2,0,0]=4 5692 B10R0.75 C=C(C)C(=O)OCCSCF 62a_100015361967_100009816335 [0,2,0,0,0,0|2,0,0]=4 5693 B10R0.75 C=C(Cl)C(=O)NCCCCC 11a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 5694 B10R0.75 C=C(Cl)C(=O)NCCCCC 1626a_100000209983_100000039160 [0,2,0,0,0,0|1,0,1]=4 5695 B10R0.75 C=C(Cl)C(=O)NCCCOC 1626a_100150723488_100000039160 [0,2,0,0,0,0|1,0,1]=4 5696 B10R0.75 C=C(Cl)C(=O)NCCCSC 11a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 5697 B10R0.75 C=C(Cl)C(=O)NCCCSC 1626a_100000749238_100000039160 [0,2,0,0,0,0|1,0,1]=4 5698 B10R0.75 C=C(Cl)C(=O)NCCOCC 11a_100011200944_100000039160 [0,2,0,0,0,0|1,0,1]=4 5699 B10R0.75 C=C(Cl)C(=O)NCCOCC 1626a_102516460346_100000039160 [0,2,0,0,0,0|1,0,1]=4 5700 B10R0.75 C=C(Cl)C(=O)NCCSCC 11a_100000106463_100000039160 [0,2,0,0,0,0|1,0,1]=4 5701 B10R0.75 C=C(Cl)C(=O)NCCSCC 1626a_100000106463_100000039160 [0,2,0,0,0,0|1,0,1]=4 5702 B10R0.75 C=C(Cl)C(=O)NNCCCC 22a_100025702795_100000039160 [0,2,0,0,0,0|1,0,1]=4 5703 B10R0.75 C=C(F)C(=O)NCCCCC 11a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 5704 B10R0.75 C=C(F)C(=O)NCCCCC 1626a_100000209983_100000036797 [0,2,0,0,0,0|1,0,1]=4 5705 B10R0.75 C=C(F)C(=O)NCCCOC 1626a_100150723488_100000036797 [0,2,0,0,0,0|1,0,1]=4 5706 B10R0.75 C=C(F)C(=O)NCCCSC 11a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 5707 B10R0.75 C=C(F)C(=O)NCCCSC 1626a_100000749238_100000036797 [0,2,0,0,0,0|1,0,1]=4 5708 B10R0.75 C=C(F)C(=O)NCCOCC 11a_100011200944_100000036797 [0,2,0,0,0,0|1,0,1]=4 5709 B10R0.75 C=C(F)C(=O)NCCOCC 1626a_102516460346_100000036797 [0,2,0,0,0,0|1,0,1]=4 5710 B10R0.75 C=C(F)C(=O)NCCSCC 11a_100000106463_100000036797 [0,2,0,0,0,0|1,0,1]=4 5711 B10R0.75 C=C(F)C(=O)NCCSCC 1626a_100000106463_100000036797 [0,2,0,0,0,0|1,0,1]=4 5712 B10R0.75 C=C(F)C(=O)NNCCCC 22a_100025702795_100000036797 [0,2,0,0,0,0|1,0,1]=4 5713 B10R0.75 C=CCCCCC(=O)C(=C)C 1458a_100000185857_100011215482 [0,2,0,0,0,0|1,0,0]=3 5714 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100000210198_100011215482 [0,2,0,0,0,0|1,0,1]=4 5715 B10R0.75 C=CCCCCC(=O)C(C)C 1458a_100011215552_100000210206 [0,2,0,0,0,0|1,0,1]=4 5716 B10R0.75 C=CCCCCC(=O)C(C)F 1458a_100000062450_100011215482 [0,2,0,0,0,0|1,0,1]=4 5717 B10R0.75 C=CCCCCC(=O)N(C)C 11a_100102631434_100011215552 [0,2,0,0,0,0|2,0,0]=4 5718 B10R0.75 C=CCCCCC(=O)N(C)C 1626a_100102631434_100011215552 [0,2,0,0,0,0|2,0,0]=4 5719 B10R0.75 C=CCCCCC(=O)N(C)C 240690a_100102631434_100011215552 [0,2,0,0,0,0|2,0,0]=4 5720 B10R0.75 C=CCCCCC(=O)N(C)C 527a_100102631434_100011215552 [0,2,0,0,0,0|2,0,0]=4 5721 B10R0.75 C=CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100011215482 [0,2,0,0,0,0|0,0,2]=4 5722 B10R0.75 C=CCCCCC(=O)[C@H](C)O 1458a_217856618621_100011215482 [0,2,0,0,0,0|0,0,2]=4 5723 B10R0.75 C=CCCCCN(C)C(=O)C 11a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 5724 B10R0.75 C=CCCCCN(C)C(=O)C 1626a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 5725 B10R0.75 C=CCCCCN(C)C(=O)C 240690a_100012000471_100015343762 [0,2,0,0,0,0|2,0,0]=4 5726 B10R0.75 C=CCCCCN(C)C(=O)C 527a_100012000471_100103153847 [0,2,0,0,0,0|2,0,0]=4 5727 B10R0.75 C=CCCCNC(=O)C(=C)C 11a_100000700776_100000185857 [0,2,0,0,0,0|1,0,1]=4 5728 B10R0.75 C=CCCCNC(=O)C(=C)C 1626a_100000700776_100000185857 [0,2,0,0,0,0|1,0,1]=4 5729 B10R0.75 C=CCCCNC(=O)C(=O)N 240690a_100000700776_100011215815 [0,2,0,0,0,0|1,0,1]=4 5730 B10R0.75 C=CCCOCC(=O)C(=O)C 34a_100011205117_100011261029 [0,2,0,0,0,0|0,0,1]=3 5731 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100000754431_100011261029 [0,2,0,0,0,0|0,0,1]=3 5732 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100011261029_100000754431 [0,2,0,0,0,0|0,0,1]=3 5733 B10R0.75 CC#CCNCC(=O)C(=O)C 34a_100000685387_100011261029 [0,2,0,0,0,0|0,0,1]=3 5734 B10R0.75 CC#CCOCC(=O)C(=O)C 34a_100000761923_100011261029 [0,2,0,0,0,0|0,0,1]=3 5735 B10R0.75 CC#CCSCC(=O)C(=O)C 62a_100000748600_100011261029 [0,2,0,0,0,0|0,0,1]=3 5736 B10R0.75 CC#CCSCC(=O)C(=O)C 62a_100011261029_100000748600 [0,2,0,0,0,0|0,0,1]=3 5737 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|0,0,0]=2 5738 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|0,0,0]=2 5739 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|0,0,0]=2 5740 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|0,0,0]=2 5741 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|0,0,0]=2 5742 B10R0.75 CC(=O)C(=O)COCCON 34a_100000700252_100011261029 [0,2,0,0,0,0|1,0,0]=3 5743 B10R0.75 CC(=O)C(=O)CSCCC#N 62a_100011215226_100011261029 [0,2,0,0,0,0|0,0,1]=3 5744 B10R0.75 CC(=O)C(=O)CSCCC#N 62a_100011261029_100011215226 [0,2,0,0,0,0|0,0,1]=3 5745 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|0,0,0]=2 5746 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|0,0,0]=2 5747 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|0,0,0]=2 5748 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|0,0,0]=2 5749 B10R0.75 CC(=O)C(=O)CSCSC#N 62a_100000211825_100011261029 [0,2,0,0,0,0|1,0,1]=4 5750 B10R0.75 CC(=O)C(=O)CSCSC#N 62a_100011261029_100000211825 [0,2,0,0,0,0|1,0,1]=4 5751 B10R0.75 CC(=O)C(C)COCCCF 34a_100000032740_100011934791 [0,2,0,0,0,0|1,0,1]=4 5752 B10R0.75 CC(=O)C(C)COCCCF 7a_100000032740_100011934791 [0,2,0,0,0,0|1,0,1]=4 5753 B10R0.75 CC(=O)C(C)COCCCO 34a_100000032740_100000230001 [0,2,0,0,0,0|1,0,1]=4 5754 B10R0.75 CC(=O)C(C)COCCCO 7a_100000032740_100011215043 [0,2,0,0,0,0|1,0,1]=4 5755 B10R0.75 CC(=O)C(C)NCCCCO 2230a_100000750430_100009814033 [0,2,0,0,0,0|1,0,1]=4 5756 B10R0.75 CC(=O)C(C)OCCCCCl 7a_100000210776_100000179758 [0,2,0,0,0,0|1,0,1]=4 5757 B10R0.75 CC(=O)C(C)OCCCCF 34a_100000212229_100000729493 [0,2,0,0,0,0|1,0,1]=4 5758 B10R0.75 CC(=O)C(C)OCCCCF 7a_100011995726_100000179758 [0,2,0,0,0,0|1,0,1]=4 5759 B10R0.75 CC(=O)C(C)OCCCCO 34a_100000212229_100011216708 [0,2,0,0,0,0|1,0,1]=4 5760 B10R0.75 CC(=O)C(C)SCCCCF 62a_100000729493_100009814033 [0,2,0,0,0,0|1,0,1]=4 5761 B10R0.75 CC(=O)C(C)SCCCCF 62a_100009814033_100000729493 [0,2,0,0,0,0|1,0,1]=4 5762 B10R0.75 CC(=O)C(C)SCCCCO 62a_100000210776_100009814033 [0,2,0,0,0,0|1,0,1]=4 5763 B10R0.75 CC(=O)C(C)SCCCCO 62a_100009814033_100000210776 [0,2,0,0,0,0|1,0,1]=4 5764 B10R0.75 CC(=O)N(C)CCCCCO 240690a_100000722520_100015343762 [0,2,0,0,0,0|2,0,0]=4 5765 B10R0.75 CC(=O)N(C)CCOCCO 240690a_100000228057_100015343762 [0,2,0,0,0,0|2,0,0]=4 5766 B10R0.75 CC(C)C(=O)CCCCC#N 1458a_100000210198_100000211819 [0,2,0,0,0,0|1,0,1]=4 5767 B10R0.75 CC(C)C(=O)CCCCCF 1458a_100000210198_100000729378 [0,2,0,0,0,0|1,0,1]=4 5768 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100000210198_100000746330 [0,2,0,0,0,0|1,0,1]=4 5769 B10R0.75 CC(C)C(=O)CCCCCO 1458a_100102619762_100000210206 [0,2,0,0,0,0|1,0,1]=4 5770 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100000210198_100011215305 [0,2,0,0,0,0|1,0,1]=4 5771 B10R0.75 CC(C)C(=O)CCOCCO 1458a_100011229844_100000210206 [0,2,0,0,0,0|1,0,1]=4 5772 B10R0.75 CC(C)C(=O)CNCCCF 2230a_100015189416_100000753385 [0,2,0,0,0,0|1,0,1]=4 5773 B10R0.75 CC(C)C(=O)CNCCCF 34a_100015189416_100000753385 [0,2,0,0,0,0|1,0,1]=4 5774 B10R0.75 CC(C)C(=O)COCCCBr 34a_100011217188_100000753385 [0,2,0,0,0,0|1,0,1]=4 5775 B10R0.75 CC(C)C(=O)COCCCCl 34a_100000230001_100000753385 [0,2,0,0,0,0|1,0,1]=4 5776 B10R0.75 CC(C)C(=O)COCCCF 34a_100000759539_100000753385 [0,2,0,0,0,0|1,0,1]=4 5777 B10R0.75 CC(C)C(=O)COCCCN 34a_100000182051_100000753385 [0,2,0,0,0,0|1,0,1]=4 5778 B10R0.75 CC(C)C(=O)CSCCCF 62a_100000753385_100011934791 [0,2,0,0,0,0|1,0,1]=4 5779 B10R0.75 CC(C)C(=O)CSCCCF 62a_100011934791_100000753385 [0,2,0,0,0,0|1,0,1]=4 5780 B10R0.75 CC(C)C(=O)CSCCCO 62a_100000753385_100011215043 [0,2,0,0,0,0|1,0,1]=4 5781 B10R0.75 CC(C)C(=O)CSCCCO 62a_100011215043_100000753385 [0,2,0,0,0,0|1,0,1]=4 5782 B10R0.75 CC(C)C(=O)NCCCCO 240690a_100000750430_100000210198 [0,2,0,0,0,0|1,0,1]=4 5783 B10R0.75 CC(C)C(=O)NCCCCO 527a_100000750430_100000210198 [0,2,0,0,0,0|1,0,1]=4 5784 B10R0.75 CC(F)C(=O)CCCCC#N 1458a_100000062450_100000211819 [0,2,0,0,0,0|1,0,1]=4 5785 B10R0.75 CC(F)C(=O)CCCCCF 1458a_100000062450_100000729378 [0,2,0,0,0,0|1,0,1]=4 5786 B10R0.75 CC(F)C(=O)CCCCCO 1458a_100000062450_100000746330 [0,2,0,0,0,0|1,0,1]=4 5787 B10R0.75 CC(F)C(=O)CCOCCO 1458a_100000062450_100011215305 [0,2,0,0,0,0|1,0,1]=4 5788 B10R0.75 CC(F)C(=O)NCCCCO 240690a_100000750430_100000062450 [0,2,0,0,0,0|1,0,1]=4 5789 B10R0.75 CC(F)C(=O)NCCCCO 527a_100000750430_100000062450 [0,2,0,0,0,0|1,0,1]=4 5790 B10R0.75 CC/C=C\CCC(=O)C(C)C 1458a_100000210198_100015370543 [0,2,0,0,0,0|1,0,1]=4 5791 B10R0.75 CC/C=C\CCC(=O)C(C)F 1458a_100000062450_100015370543 [0,2,0,0,0,0|1,0,1]=4 5792 B10R0.75 CC/C=C\CCC(=O)[C@@H](C)O 1458a_100000717761_100015370543 [0,2,0,0,0,0|0,0,2]=4 5793 B10R0.75 CC/C=C\CCC(=O)[C@H](C)O 1458a_217856618621_100015370543 [0,2,0,0,0,0|0,0,2]=4 5794 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100000070051_100011261029 [0,2,0,0,0,0|0,0,1]=3 5795 B10R0.75 CC=CCSCC(=O)C(=O)C 62a_100011261029_100000070051 [0,2,0,0,0,0|0,0,1]=3 5796 B10R0.75 CCC/C=C/CC(=O)C(C)C 1458a_200016266809_100000210206 [0,2,0,0,0,0|1,0,1]=4 5797 B10R0.75 CCC/C=C/CC(=O)N(C)C 11a_100102631434_200016266809 [0,2,0,0,0,0|2,0,0]=4 5798 B10R0.75 CCC/C=C/CC(=O)N(C)C 1626a_100102631434_200016266809 [0,2,0,0,0,0|2,0,0]=4 5799 B10R0.75 CCC/C=C/CC(=O)N(C)C 240690a_100102631434_200016266809 [0,2,0,0,0,0|2,0,0]=4 5800 B10R0.75 CCC/C=C/CC(=O)N(C)C 527a_100102631434_200016266809 [0,2,0,0,0,0|2,0,0]=4 5801 B10R0.75 CCCC=NNC(=O)C(=O)N 4a_100000211141_100000185831 [0,2,0,0,0,0|1,0,1]=4 5802 B10R0.75 CCCCC=CC(=O)C(C)C 1458a_100016266645_100000210206 [0,2,0,0,0,0|1,0,1]=4 5803 B10R0.75 CCCCC=CC(=O)N(C)C 11a_100102631434_100016266645 [0,2,0,0,0,0|2,0,0]=4 5804 B10R0.75 CCCCC=CC(=O)N(C)C 1626a_100102631434_100016266645 [0,2,0,0,0,0|2,0,0]=4 5805 B10R0.75 CCCCC=CC(=O)N(C)C 240690a_100102631434_100016266645 [0,2,0,0,0,0|2,0,0]=4 5806 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100000210198_100000210757 [0,2,0,0,0,0|1,0,1]=4 5807 B10R0.75 CCCCCCC(=O)C(C)C 1458a_100102632555_100000210206 [0,2,0,0,0,0|1,0,1]=4 5808 B10R0.75 CCCCCCC(=O)C(C)F 1458a_100000062450_100000210757 [0,2,0,0,0,0|1,0,1]=4 5809 B10R0.75 CCCCCCC(=O)N(C)C 11a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5810 B10R0.75 CCCCCCC(=O)N(C)C 1626a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5811 B10R0.75 CCCCCCC(=O)N(C)C 240690a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5812 B10R0.75 CCCCCCC(=O)N(C)C 527a_100102631434_100102632555 [0,2,0,0,0,0|2,0,0]=4 5813 B10R0.75 CCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210757 [0,2,0,0,0,0|0,0,2]=4 5814 B10R0.75 CCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210757 [0,2,0,0,0,0|0,0,2]=4 5815 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [0,2,0,0,0,0|1,0,1]=4 5816 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [0,2,0,0,0,0|0,0,2]=4 5817 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [0,2,0,0,0,0|0,0,2]=4 5818 B10R0.75 CCCCCCN(C)C(=O)C 11a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5819 B10R0.75 CCCCCCN(C)C(=O)C 1626a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5820 B10R0.75 CCCCCCN(C)C(=O)C 240690a_106256046315_100015343762 [0,2,0,0,0,0|2,0,0]=4 5821 B10R0.75 CCCCCCN(C)C(=O)C 527a_106256046315_100103153847 [0,2,0,0,0,0|2,0,0]=4 5822 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|1,0,0]=3 5823 B10R0.75 CCCCCNC(=O)C(C)C 11a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 5824 B10R0.75 CCCCCNC(=O)C(C)C 1626a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 5825 B10R0.75 CCCCCNC(=O)C(C)C 240690a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 5826 B10R0.75 CCCCCNC(=O)C(C)C 527a_100000209983_100000210198 [0,2,0,0,0,0|1,0,1]=4 5827 B10R0.75 CCCCCNC(=O)C(C)F 11a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 5828 B10R0.75 CCCCCNC(=O)C(C)F 1626a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 5829 B10R0.75 CCCCCNC(=O)C(C)F 240690a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 5830 B10R0.75 CCCCCNC(=O)C(C)F 527a_100000209983_100000062450 [0,2,0,0,0,0|1,0,1]=4 5831 B10R0.75 CCCCCNC(=O)N(C)C 2708a_100000209983_100102631434 [0,2,0,0,0,0|2,0,0]=4 5832 B10R0.75 CCCCCNC(=O)[C@@H](C)O 240690a_100000209983_100000717761 [0,2,0,0,0,0|0,0,2]=4 5833 B10R0.75 CCCCCNC(=O)[C@H](C)O 1626a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 5834 B10R0.75 CCCCCNC(=O)[C@H](C)O 240690a_100000209983_217856618621 [0,2,0,0,0,0|0,0,2]=4 5835 B10R0.75 CCCCCNC(C)C(=O)C 2230a_100000209983_100009814033 [0,2,0,0,0,0|1,0,1]=4 5836 B10R0.75 CCCCCOC(C)C(=O)C 34a_100000212229_100000718602 [0,2,0,0,0,0|1,0,1]=4 5837 B10R0.75 CCCCCOC(C)C(=O)C 7a_100000210253_100000179758 [0,2,0,0,0,0|1,0,1]=4 5838 B10R0.75 CCCCCSC(C)C(=O)C 62a_100000210326_100009814033 [0,2,0,0,0,0|1,0,1]=4 5839 B10R0.75 CCCCCSC(C)C(=O)C 62a_100009814033_100000210326 [0,2,0,0,0,0|1,0,1]=4 5840 B10R0.75 CCCCNCC(=O)C(C)C 2230a_100000102301_100000753385 [0,2,0,0,0,0|1,0,1]=4 5841 B10R0.75 CCCCNCC(=O)C(C)C 7a_106832991798_100000753385 [0,2,0,0,0,0|1,0,1]=4 5842 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100000102301_100000185267 [0,2,0,0,0,0|2,0,0]=4 5843 B10R0.75 CCCCNCC(=O)N(C)C 2230a_100015183351_100000210211 [0,2,0,0,0,0|2,0,0]=4 5844 B10R0.75 CCCCNCC(=O)N(C)C 7a_106832991798_100000692301 [0,2,0,0,0,0|2,0,0]=4 5845 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,2,0,0,0,0|1,0,0]=3 5846 B10R0.75 CCCCNNC(=O)C(C)C 22a_100025702795_100000210198 [0,2,0,0,0,0|1,0,1]=4 5847 B10R0.75 CCCCNNC(=O)C(C)F 22a_100025702795_100000062450 [0,2,0,0,0,0|1,0,1]=4 5848 B10R0.75 CCCCNNC(=O)[C@@H](C)O 22a_100025702795_100000717761 [0,2,0,0,0,0|0,0,2]=4 5849 B10R0.75 CCCCNNC(=O)[C@H](C)O 22a_100025702795_217856618621 [0,2,0,0,0,0|0,0,2]=4 5850 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|0,0,0]=2 5851 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000210198_100011995733 [0,2,0,0,0,0|1,0,1]=4 5852 B10R0.75 CCCCOCC(=O)C(C)C 1458a_100000757543_100000210206 [0,2,0,0,0,0|1,0,1]=4 5853 B10R0.75 CCCCOCC(=O)C(C)C 34a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 5854 B10R0.75 CCCCOCC(=O)C(C)C 7a_100000210227_100000753385 [0,2,0,0,0,0|1,0,1]=4 5855 B10R0.75 CCCCOCC(=O)C(C)F 1458a_100000062450_100011995733 [0,2,0,0,0,0|1,0,1]=4 5856 B10R0.75 CCCCOCC(=O)N(C)C 11a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 5857 B10R0.75 CCCCOCC(=O)N(C)C 1626a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 5858 B10R0.75 CCCCOCC(=O)N(C)C 240690a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 5859 B10R0.75 CCCCOCC(=O)N(C)C 34a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 5860 B10R0.75 CCCCOCC(=O)N(C)C 527a_100102631434_100000757543 [0,2,0,0,0,0|2,0,0]=4 5861 B10R0.75 CCCCOCC(=O)N(C)C 7a_100000210227_100000692301 [0,2,0,0,0,0|2,0,0]=4 5862 B10R0.75 CCCCOCC(=O)[C@@H](C)O 1458a_100000717761_100011995733 [0,2,0,0,0,0|0,0,2]=4 5863 B10R0.75 CCCCOCC(=O)[C@H](C)O 1458a_217856618621_100011995733 [0,2,0,0,0,0|0,0,2]=4 5864 B10R0.75 CCCCOCC(C)C(=O)C 34a_100000032740_100000210210 [0,2,0,0,0,0|1,0,1]=4 5865 B10R0.75 CCCCOCC(C)C(=O)C 7a_100000032740_100000210211 [0,2,0,0,0,0|1,0,1]=4 5866 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|0,0,0]=2 5867 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|0,0,0]=2 5868 B10R0.75 CCCCSCC(=O)C(C)C 1458a_100000191162_100000210206 [0,2,0,0,0,0|1,0,1]=4 5869 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000210211_100000753385 [0,2,0,0,0,0|1,0,1]=4 5870 B10R0.75 CCCCSCC(=O)C(C)C 62a_100000753385_100000210210 [0,2,0,0,0,0|1,0,1]=4 5871 B10R0.75 CCCCSCC(=O)N(C)C 11a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 5872 B10R0.75 CCCCSCC(=O)N(C)C 1626a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 5873 B10R0.75 CCCCSCC(=O)N(C)C 240690a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 5874 B10R0.75 CCCCSCC(=O)N(C)C 527a_100102631434_100000191162 [0,2,0,0,0,0|2,0,0]=4 5875 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000210211_100000692301 [0,2,0,0,0,0|2,0,0]=4 5876 B10R0.75 CCCCSCC(=O)N(C)C 62a_100000692301_100000210210 [0,2,0,0,0,0|2,0,0]=4 5877 B10R0.75 CCCNCCC(=O)N(C)C 2230a_100000738053_100000210303 [0,2,0,0,0,0|2,0,0]=4 5878 B10R0.75 CCCOCCC(=O)C(C)C 1458a_100000210198_100011215938 [0,2,0,0,0,0|1,0,1]=4 5879 B10R0.75 CCCOCCC(=O)C(C)F 1458a_100000062450_100011215938 [0,2,0,0,0,0|1,0,1]=4 5880 B10R0.75 CCCOCCC(=O)N(C)C 34a_200000747469_100000210303 [0,2,0,0,0,0|2,0,0]=4 5881 B10R0.75 CCCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215938 [0,2,0,0,0,0|0,0,2]=4 5882 B10R0.75 CCCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215938 [0,2,0,0,0,0|0,0,2]=4 5883 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000210303_100000737620 [0,2,0,0,0,0|2,0,0]=4 5884 B10R0.75 CCCSCCC(=O)N(C)C 62a_100000737620_100000210303 [0,2,0,0,0,0|2,0,0]=4 5885 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000139345_100000210303 [0,2,0,0,0,0|1,0,1]=4 5886 B10R0.75 CCCSCOC(=O)C(C)C 62a_100000210303_100000139345 [0,2,0,0,0,0|1,0,1]=4 5887 B10R0.75 CCNCCCC(=O)N(C)C 2230a_100015525214_100000737642 [0,2,0,0,0,0|2,0,0]=4 5888 B10R0.75 CCNCCCC(=O)N(C)C 2230a_200000744827_100000210202 [0,2,0,0,0,0|2,0,0]=4 5889 B10R0.75 CCNCCNC(=O)C(C)C 2230a_100000752568_100000210202 [0,2,0,0,0,0|1,0,1]=4 5890 B10R0.75 CCNCCNC(=O)C(C)C 34a_100000752568_100000210202 [0,2,0,0,0,0|1,0,1]=4 5891 B10R0.75 CCOCCCC(=O)C(C)C 1458a_100000210198_100012232248 [0,2,0,0,0,0|1,0,1]=4 5892 B10R0.75 CCOCCCC(=O)C(C)F 1458a_100000062450_100012232248 [0,2,0,0,0,0|1,0,1]=4 5893 B10R0.75 CCOCCCC(=O)[C@@H](C)O 1458a_100000717761_100012232248 [0,2,0,0,0,0|0,0,2]=4 5894 B10R0.75 CCOCCCC(=O)[C@H](C)O 1458a_217856618621_100012232248 [0,2,0,0,0,0|0,0,2]=4 5895 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,2,0,0,0,0|1,0,0]=3 5896 B10R0.75 CCOCCNC(=O)C(C)C 11a_100011200944_100000210198 [0,2,0,0,0,0|1,0,1]=4 5897 B10R0.75 CCOCCNC(=O)C(C)C 1626a_102516460346_100000210198 [0,2,0,0,0,0|1,0,1]=4 5898 B10R0.75 CCOCCNC(=O)C(C)C 240690a_100011200944_100000210198 [0,2,0,0,0,0|1,0,1]=4 5899 B10R0.75 CCOCCNC(=O)C(C)C 527a_100011200944_100000210198 [0,2,0,0,0,0|1,0,1]=4 5900 B10R0.75 CCOCCNC(=O)C(C)F 11a_100011200944_100000062450 [0,2,0,0,0,0|1,0,1]=4 5901 B10R0.75 CCOCCNC(=O)C(C)F 1626a_102516460346_100000062450 [0,2,0,0,0,0|1,0,1]=4 5902 B10R0.75 CCOCCNC(=O)C(C)F 240690a_100011200944_100000062450 [0,2,0,0,0,0|1,0,1]=4 5903 B10R0.75 CCOCCNC(=O)C(C)F 527a_100011200944_100000062450 [0,2,0,0,0,0|1,0,1]=4 5904 B10R0.75 CCOCCNC(=O)N(C)C 2708a_100011200944_100102631434 [0,2,0,0,0,0|2,0,0]=4 5905 B10R0.75 CCOCCNC(=O)[C@@H](C)O 240690a_100011200944_100000717761 [0,2,0,0,0,0|0,0,2]=4 5906 B10R0.75 CCOCCNC(=O)[C@H](C)O 1626a_102516460346_217856618621 [0,2,0,0,0,0|0,0,2]=4 5907 B10R0.75 CCOCCNC(=O)[C@H](C)O 240690a_100011200944_217856618621 [0,2,0,0,0,0|0,0,2]=4 5908 B10R0.75 CCOCCNC(C)C(=O)C 2230a_102516460346_100009814033 [0,2,0,0,0,0|1,0,1]=4 5909 B10R0.75 CCOCCOC(C)C(=O)C 1458a_100000743585_200000210301 [0,2,0,0,0,0|1,0,1]=4 5910 B10R0.75 CCOCCOC(C)C(=O)C 34a_100000212229_100000210147 [0,2,0,0,0,0|1,0,1]=4 5911 B10R0.75 CCOCCOC(C)C(=O)C 7a_100000210136_100000179758 [0,2,0,0,0,0|1,0,1]=4 5912 B10R0.75 CCOCCOC(C)C(=O)[13CH3] 1458a_100000743585_200025704644 [0,2,0,0,0,0|1,0,1]=4 5913 B10R0.75 CCOCCSC(C)C(=O)C 62a_100000210147_100009814033 [0,2,0,0,0,0|1,0,1]=4 5914 B10R0.75 CCOCCSC(C)C(=O)C 62a_100009814033_100011215890 [0,2,0,0,0,0|1,0,1]=4 5915 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|0,0,0]=2 5916 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|0,0,0]=2 5917 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000739092_100000753385 [0,2,0,0,0,0|1,0,1]=4 5918 B10R0.75 CCOCSCC(=O)C(C)C 62a_100000753385_100000739092 [0,2,0,0,0,0|1,0,1]=4 5919 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000692301_100000739092 [0,2,0,0,0,0|2,0,0]=4 5920 B10R0.75 CCOCSCC(=O)N(C)C 62a_100000739092_100000692301 [0,2,0,0,0,0|2,0,0]=4 5921 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000210202_100000737642 [0,2,0,0,0,0|2,0,0]=4 5922 B10R0.75 CCSCCCC(=O)N(C)C 62a_100000737642_100000210202 [0,2,0,0,0,0|2,0,0]=4 5923 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,2,0,0,0,0|1,0,0]=3 5924 B10R0.75 CCSCCNC(=O)C(C)C 11a_100000106463_100000210198 [0,2,0,0,0,0|1,0,1]=4 5925 B10R0.75 CCSCCNC(=O)C(C)C 1626a_100000106463_100000210198 [0,2,0,0,0,0|1,0,1]=4 5926 B10R0.75 CCSCCNC(=O)C(C)C 240690a_100000106463_100000210198 [0,2,0,0,0,0|1,0,1]=4 5927 B10R0.75 CCSCCNC(=O)C(C)C 527a_100000106463_100000210198 [0,2,0,0,0,0|1,0,1]=4 5928 B10R0.75 CCSCCNC(=O)C(C)F 11a_100000106463_100000062450 [0,2,0,0,0,0|1,0,1]=4 5929 B10R0.75 CCSCCNC(=O)C(C)F 1626a_100000106463_100000062450 [0,2,0,0,0,0|1,0,1]=4 5930 B10R0.75 CCSCCNC(=O)C(C)F 240690a_100000106463_100000062450 [0,2,0,0,0,0|1,0,1]=4 5931 B10R0.75 CCSCCNC(=O)C(C)F 527a_100000106463_100000062450 [0,2,0,0,0,0|1,0,1]=4 5932 B10R0.75 CCSCCNC(=O)N(C)C 2708a_100000106463_100102631434 [0,2,0,0,0,0|2,0,0]=4 5933 B10R0.75 CCSCCNC(=O)[C@@H](C)O 240690a_100000106463_100000717761 [0,2,0,0,0,0|0,0,2]=4 5934 B10R0.75 CCSCCNC(=O)[C@H](C)O 1626a_100000106463_217856618621 [0,2,0,0,0,0|0,0,2]=4 5935 B10R0.75 CCSCCNC(=O)[C@H](C)O 240690a_100000106463_217856618621 [0,2,0,0,0,0|0,0,2]=4 5936 B10R0.75 CCSCCNC(C)C(=O)C 2230a_100000106463_100009814033 [0,2,0,0,0,0|1,0,1]=4 5937 B10R0.75 CCSCCOC(C)C(=O)C 34a_100000212229_100000757381 [0,2,0,0,0,0|1,0,1]=4 5938 B10R0.75 CCSCCOC(C)C(=O)C 7a_100000212035_100000179758 [0,2,0,0,0,0|1,0,1]=4 5939 B10R0.75 CCSCCSC(C)C(=O)C 62a_100000757381_100009814033 [0,2,0,0,0,0|1,0,1]=4 5940 B10R0.75 CCSCCSC(C)C(=O)C 62a_100009814033_100000757381 [0,2,0,0,0,0|1,0,1]=4 5941 B10R0.75 CN(C)C(=O)CCCCCO 240690a_100102631434_100102619762 [0,2,0,0,0,0|2,0,0]=4 5942 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_100000752486_200025704644 [0,2,0,0,0,0|2,0,0]=4 5943 B10R0.75 CN(C)C(=O)CCCCS[13CH3] 62a_200025704644_100000752486 [0,2,0,0,0,0|2,0,0]=4 5944 B10R0.75 CN(C)C(=O)CCCSCF 62a_100000737642_100015361967 [0,2,0,0,0,0|2,0,0]=4 5945 B10R0.75 CN(C)C(=O)CCCSCF 62a_100015361967_100000737642 [0,2,0,0,0,0|2,0,0]=4 5946 B10R0.75 CN(C)C(=O)CCNCCF 2230a_100000738053_100011217306 [0,2,0,0,0,0|2,0,0]=4 5947 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100000738053_100000211926 [0,2,0,0,0,0|2,0,0]=4 5948 B10R0.75 CN(C)C(=O)CCNCCO 2230a_100016997473_100000737620 [0,2,0,0,0,0|2,0,0]=4 5949 B10R0.75 CN(C)C(=O)CCOCCF 34a_200000747469_100011217306 [0,2,0,0,0,0|2,0,0]=4 5950 B10R0.75 CN(C)C(=O)CCOCCO 1626a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 5951 B10R0.75 CN(C)C(=O)CCOCCO 240690a_100102631434_100011229844 [0,2,0,0,0,0|2,0,0]=4 5952 B10R0.75 CN(C)C(=O)CCOCCO 34a_200000747469_100000211926 [0,2,0,0,0,0|2,0,0]=4 5953 B10R0.75 CN(C)C(=O)CCSCCF 62a_100000737620_100011217306 [0,2,0,0,0,0|2,0,0]=4 5954 B10R0.75 CN(C)C(=O)CCSCCF 62a_100011217306_100000737620 [0,2,0,0,0,0|2,0,0]=4 5955 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000211926_100000737620 [0,2,0,0,0,0|2,0,0]=4 5956 B10R0.75 CN(C)C(=O)CCSCCO 62a_100000737620_100000211926 [0,2,0,0,0,0|2,0,0]=4 5957 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015183351_100011934791 [0,2,0,0,0,0|2,0,0]=4 5958 B10R0.75 CN(C)C(=O)CNCCCF 2230a_100015189416_100000185267 [0,2,0,0,0,0|2,0,0]=4 5959 B10R0.75 CN(C)C(=O)CNCCCF 34a_100015189416_100000692301 [0,2,0,0,0,0|2,0,0]=4 5960 B10R0.75 CN(C)C(=O)CNCCCO 2230a_100015183351_100000230001 [0,2,0,0,0,0|2,0,0]=4 5961 B10R0.75 CN(C)C(=O)COCCCBr 34a_100011217188_100000692301 [0,2,0,0,0,0|2,0,0]=4 5962 B10R0.75 CN(C)C(=O)COCCCCl 34a_100000230001_100000692301 [0,2,0,0,0,0|2,0,0]=4 5963 B10R0.75 CN(C)C(=O)COCCCF 34a_100000759539_100000692301 [0,2,0,0,0,0|2,0,0]=4 5964 B10R0.75 CN(C)C(=O)COCCCN 34a_100000182051_100000692301 [0,2,0,0,0,0|2,0,0]=4 5965 B10R0.75 CN(C)C(=O)CSCCCF 62a_100000692301_100011934791 [0,2,0,0,0,0|2,0,0]=4 5966 B10R0.75 CN(C)C(=O)CSCCCF 62a_100011934791_100000692301 [0,2,0,0,0,0|2,0,0]=4 5967 B10R0.75 CN(C)C(=O)CSCCCO 62a_100000692301_100011215043 [0,2,0,0,0,0|2,0,0]=4 5968 B10R0.75 CN(C)C(=O)CSCCCO 62a_100011215043_100000692301 [0,2,0,0,0,0|2,0,0]=4 5969 B10R0.75 CN(C)C(=O)NCCCCO 2708a_100000750430_100102631434 [0,2,0,0,0,0|2,0,0]=4 5970 B10R0.75 CNCCCCC(=O)N(C)C 34a_100102657272_100000752486 [0,2,0,0,0,0|2,0,0]=4 5971 B10R0.75 CNCCCCC(=O)N(C)C 7a_106832991635_100000752486 [0,2,0,0,0,0|2,0,0]=4 5972 B10R0.75 COCCCCC(=O)C(C)C 1458a_100000210198_100000755781 [0,2,0,0,0,0|1,0,1]=4 5973 B10R0.75 COCCCCC(=O)C(C)F 1458a_100000062450_100000755781 [0,2,0,0,0,0|1,0,1]=4 5974 B10R0.75 COCCCCC(=O)N(C)C 34a_100138415774_100000752486 [0,2,0,0,0,0|2,0,0]=4 5975 B10R0.75 COCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000755781 [0,2,0,0,0,0|0,0,2]=4 5976 B10R0.75 COCCCCC(=O)[C@H](C)O 1458a_217856618621_100000755781 [0,2,0,0,0,0|0,0,2]=4 5977 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,2,0,0,0,0|1,0,0]=3 5978 B10R0.75 COCCCNC(=O)C(C)C 1626a_100150723488_100000210198 [0,2,0,0,0,0|1,0,1]=4 5979 B10R0.75 COCCCNC(=O)C(C)C 240690a_100150723488_100000210198 [0,2,0,0,0,0|1,0,1]=4 5980 B10R0.75 COCCCNC(=O)C(C)C 527a_100150723488_100000210198 [0,2,0,0,0,0|1,0,1]=4 5981 B10R0.75 COCCCNC(=O)C(C)F 1626a_100150723488_100000062450 [0,2,0,0,0,0|1,0,1]=4 5982 B10R0.75 COCCCNC(=O)C(C)F 240690a_100150723488_100000062450 [0,2,0,0,0,0|1,0,1]=4 5983 B10R0.75 COCCCNC(=O)C(C)F 527a_100150723488_100000062450 [0,2,0,0,0,0|1,0,1]=4 5984 B10R0.75 COCCCNC(=O)N(C)C 2708a_100150723488_100102631434 [0,2,0,0,0,0|2,0,0]=4 5985 B10R0.75 COCCCNC(=O)[C@@H](C)O 240690a_100150723488_100000717761 [0,2,0,0,0,0|0,0,2]=4 5986 B10R0.75 COCCCNC(=O)[C@H](C)O 1626a_100150723488_217856618621 [0,2,0,0,0,0|0,0,2]=4 5987 B10R0.75 COCCCNC(=O)[C@H](C)O 240690a_100150723488_217856618621 [0,2,0,0,0,0|0,0,2]=4 5988 B10R0.75 COCCCOC(C)C(=O)C 34a_100000212229_100000740836 [0,2,0,0,0,0|1,0,1]=4 5989 B10R0.75 COCCCSC(C)C(=O)C 62a_100000709357_100009814033 [0,2,0,0,0,0|1,0,1]=4 5990 B10R0.75 COCCCSC(C)C(=O)C 62a_100009814033_100000709357 [0,2,0,0,0,0|1,0,1]=4 5991 B10R0.75 COCCNCC(=O)C(C)C 2230a_100000209980_100000753385 [0,2,0,0,0,0|1,0,1]=4 5992 B10R0.75 COCCNCC(=O)N(C)C 2230a_100000209980_100000185267 [0,2,0,0,0,0|2,0,0]=4 5993 B10R0.75 COCCNCC(=O)N(C)C 2230a_100015183351_100011201679 [0,2,0,0,0,0|2,0,0]=4 5994 B10R0.75 COCCNNC(=O)C(=O)N 22a_100000741390_100011215815 [0,2,0,0,0,0|2,0,0]=4 5995 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|0,0,0]=2 5996 B10R0.75 COCCOCC(=O)C(C)C 1458a_100000211095_100000210206 [0,2,0,0,0,0|1,0,1]=4 5997 B10R0.75 COCCOCC(=O)C(C)C 34a_100000210237_100000753385 [0,2,0,0,0,0|1,0,1]=4 5998 B10R0.75 COCCOCC(=O)N(C)C 11a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 5999 B10R0.75 COCCOCC(=O)N(C)C 1626a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 6000 B10R0.75 COCCOCC(=O)N(C)C 240690a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 6001 B10R0.75 COCCOCC(=O)N(C)C 34a_100000210237_100000692301 [0,2,0,0,0,0|2,0,0]=4 6002 B10R0.75 COCCOCC(=O)N(C)C 527a_100102631434_100000211095 [0,2,0,0,0,0|2,0,0]=4 6003 B10R0.75 COCCOCC(C)C(=O)C 34a_100000032740_100011201679 [0,2,0,0,0,0|1,0,1]=4 6004 B10R0.75 COCCOCC(C)C(=O)C 7a_100000032740_100000233755 [0,2,0,0,0,0|1,0,1]=4 6005 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|0,0,0]=2 6006 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|0,0,0]=2 6007 B10R0.75 COCCSCC(=O)C(C)C 62a_100000233755_100000753385 [0,2,0,0,0,0|1,0,1]=4 6008 B10R0.75 COCCSCC(=O)C(C)C 62a_100000753385_100000233755 [0,2,0,0,0,0|1,0,1]=4 6009 B10R0.75 COCCSCC(=O)N(C)C 62a_100000233755_100000692301 [0,2,0,0,0,0|2,0,0]=4 6010 B10R0.75 COCCSCC(=O)N(C)C 62a_100000692301_100000233755 [0,2,0,0,0,0|2,0,0]=4 6011 B10R0.75 COCNCCC(=O)N(C)C 2230a_100000738053_100000766300 [0,2,0,0,0,0|2,0,0]=4 6012 B10R0.75 COCSCCC(=O)N(C)C 62a_100000737620_100000766300 [0,2,0,0,0,0|2,0,0]=4 6013 B10R0.75 COCSCCC(=O)N(C)C 62a_100000766300_100000737620 [0,2,0,0,0,0|2,0,0]=4 6014 B10R0.75 CSCCCCC(=O)N(C)C 62a_100000752486_200000210301 [0,2,0,0,0,0|2,0,0]=4 6015 B10R0.75 CSCCCCC(=O)N(C)C 62a_200000210301_100000752486 [0,2,0,0,0,0|2,0,0]=4 6016 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|1,0,0]=3 6017 B10R0.75 CSCCCNC(=O)C(C)C 11a_100000749238_100000210198 [0,2,0,0,0,0|1,0,1]=4 6018 B10R0.75 CSCCCNC(=O)C(C)C 1626a_100000749238_100000210198 [0,2,0,0,0,0|1,0,1]=4 6019 B10R0.75 CSCCCNC(=O)C(C)C 240690a_100000749238_100000210198 [0,2,0,0,0,0|1,0,1]=4 6020 B10R0.75 CSCCCNC(=O)C(C)C 527a_100000749238_100000210198 [0,2,0,0,0,0|1,0,1]=4 6021 B10R0.75 CSCCCNC(=O)C(C)F 11a_100000749238_100000062450 [0,2,0,0,0,0|1,0,1]=4 6022 B10R0.75 CSCCCNC(=O)C(C)F 1626a_100000749238_100000062450 [0,2,0,0,0,0|1,0,1]=4 6023 B10R0.75 CSCCCNC(=O)C(C)F 240690a_100000749238_100000062450 [0,2,0,0,0,0|1,0,1]=4 6024 B10R0.75 CSCCCNC(=O)C(C)F 527a_100000749238_100000062450 [0,2,0,0,0,0|1,0,1]=4 6025 B10R0.75 CSCCCNC(=O)N(C)C 2708a_100000749238_100102631434 [0,2,0,0,0,0|2,0,0]=4 6026 B10R0.75 CSCCCNC(=O)[C@@H](C)O 240690a_100000749238_100000717761 [0,2,0,0,0,0|0,0,2]=4 6027 B10R0.75 CSCCCNC(=O)[C@H](C)O 1626a_100000749238_217856618621 [0,2,0,0,0,0|0,0,2]=4 6028 B10R0.75 CSCCCNC(=O)[C@H](C)O 240690a_100000749238_217856618621 [0,2,0,0,0,0|0,0,2]=4 6029 B10R0.75 CSCCCNC(C)C(=O)C 2230a_100000749238_100009814033 [0,2,0,0,0,0|1,0,1]=4 6030 B10R0.75 CSCCCOC(C)C(=O)C 7a_100000690336_100000179758 [0,2,0,0,0,0|1,0,1]=4 6031 B10R0.75 CSCCNCC(=O)C(C)C 2230a_100020590264_100000753385 [0,2,0,0,0,0|1,0,1]=4 6032 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100015183351_100000751147 [0,2,0,0,0,0|2,0,0]=4 6033 B10R0.75 CSCCNCC(=O)N(C)C 2230a_100020590264_100000185267 [0,2,0,0,0,0|2,0,0]=4 6034 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|0,0,0]=2 6035 B10R0.75 CSCCOCC(=O)C(C)C 34a_100000230434_100000753385 [0,2,0,0,0,0|1,0,1]=4 6036 B10R0.75 CSCCOCC(=O)C(C)C 7a_100000230434_100000753385 [0,2,0,0,0,0|1,0,1]=4 6037 B10R0.75 CSCCOCC(=O)N(C)C 34a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 6038 B10R0.75 CSCCOCC(=O)N(C)C 7a_100000230434_100000692301 [0,2,0,0,0,0|2,0,0]=4 6039 B10R0.75 CSCCOCC(C)C(=O)C 34a_100000032740_100000212216 [0,2,0,0,0,0|1,0,1]=4 6040 B10R0.75 CSCCOCC(C)C(=O)C 7a_100000032740_100000212216 [0,2,0,0,0,0|1,0,1]=4 6041 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|0,0,0]=2 6042 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|0,0,0]=2 6043 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000212216_100000753385 [0,2,0,0,0,0|1,0,1]=4 6044 B10R0.75 CSCCSCC(=O)C(C)C 62a_100000753385_100000751147 [0,2,0,0,0,0|1,0,1]=4 6045 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000212216_100000692301 [0,2,0,0,0,0|2,0,0]=4 6046 B10R0.75 CSCCSCC(=O)N(C)C 62a_100000692301_100000751147 [0,2,0,0,0,0|2,0,0]=4 6047 B10R0.75 CSCNCCC(=O)N(C)C 2230a_100000738053_100011218213 [0,2,0,0,0,0|2,0,0]=4 6048 B10R0.75 CSCOCCC(=O)N(C)C 34a_200000747469_100011218213 [0,2,0,0,0,0|2,0,0]=4 6049 B10R0.75 CSCSCCC(=O)N(C)C 62a_100000737620_100011218213 [0,2,0,0,0,0|2,0,0]=4 6050 B10R0.75 CSCSCCC(=O)N(C)C 62a_100011218213_100000737620 [0,2,0,0,0,0|2,0,0]=4 6051 B10R0.75 C[C@@H](O)C(=O)CCCCC#N 1458a_100000717761_100000211819 [0,2,0,0,0,0|0,0,2]=4 6052 B10R0.75 C[C@@H](O)C(=O)CCCCCF 1458a_100000717761_100000729378 [0,2,0,0,0,0|0,0,2]=4 6053 B10R0.75 C[C@@H](O)C(=O)CCCCCO 1458a_100000717761_100000746330 [0,2,0,0,0,0|0,0,2]=4 6054 B10R0.75 C[C@@H](O)C(=O)CCOCCO 1458a_100000717761_100011215305 [0,2,0,0,0,0|0,0,2]=4 6055 B10R0.75 C[C@@H](O)C(=O)NCCCCO 240690a_100000750430_100000717761 [0,2,0,0,0,0|0,0,2]=4 6056 B10R0.75 C[C@H](O)C(=O)CCCCC#N 1458a_217856618621_100000211819 [0,2,0,0,0,0|0,0,2]=4 6057 B10R0.75 C[C@H](O)C(=O)CCCCCF 1458a_217856618621_100000729378 [0,2,0,0,0,0|0,0,2]=4 6058 B10R0.75 C[C@H](O)C(=O)CCCCCO 1458a_217856618621_100000746330 [0,2,0,0,0,0|0,0,2]=4 6059 B10R0.75 C[C@H](O)C(=O)CCOCCO 1458a_217856618621_100011215305 [0,2,0,0,0,0|0,0,2]=4 6060 B10R0.75 C[C@H](O)C(=O)NCCCCO 240690a_100000750430_217856618621 [0,2,0,0,0,0|0,0,2]=4 6061 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,2,0,0,0,0|1,0,0]=3 6062 B10R0.98 C=C(Br)C(=O)NCCC(C)C 11a_100000210545_100009813364 [0,2,0,0,0,0|1,0,1]=4 6063 B10R0.98 C=C(Br)C(=O)NCCC(C)C 1626a_100000210545_100009813364 [0,2,0,0,0,0|1,0,1]=4 6064 B10R0.98 C=C(C)C(=O)CCC=C(C)C 1458a_100000185857_100011217483 [0,2,0,0,0,0|1,0,1]=4 6065 B10R0.98 C=C(C)C(=O)CCCC(=O)C 1458a_100000185857_100011215641 [0,2,0,0,0,0|1,0,0]=3 6066 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,2,0,0,0,0|1,0,1]=4 6067 B10R0.98 C=C(C)C(=O)CCCC(C)C 1458a_100000185857_100011214892 [0,2,0,0,0,0|1,0,0]=3 6068 B10R0.98 C=C(C)C(=O)CCCC(C)O 1458a_100000185857_200000718107 [0,2,0,0,0,0|1,0,0]=3 6069 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|1,0,0]=3 6070 B10R0.98 C=C(C)C(=O)CCNC(=O)C 1458a_100000185857_100000189650 [0,2,0,0,0,0|1,0,1]=4 6071 B10R0.98 C=C(C)C(=O)CCOC(=O)C 1458a_100000185857_100009814007 [0,2,0,0,0,0|1,0,1]=4 6072 B10R0.98 C=C(C)C(=O)CCOC(C)C 1458a_100000185857_100000211751 [0,2,0,0,0,0|1,0,0]=3 6073 B10R0.98 C=C(C)C(=O)CCSC(C)C 1458a_100000185857_100000730970 [0,2,0,0,0,0|1,0,0]=3 6074 B10R0.98 C=C(C)C(=O)NCCC(C)C 11a_100000210545_100000185857 [0,2,0,0,0,0|1,0,0]=3 6075 B10R0.98 C=C(C)C(=O)NCCC(C)C 1626a_100000210545_100000185857 [0,2,0,0,0,0|1,0,0]=3 6076 B10R0.98 C=C(C)C(=O)NNCC(C)C 22a_100000696102_100000185857 [0,2,0,0,0,0|2,0,0]=4 6077 B10R0.98 C=C(C)C(=O)NNCC(C)O 22a_200000730056_100000185857 [0,2,0,0,0,0|2,0,0]=4 6078 B10R0.98 C=C(C)C(=O)OCCC(=O)C 1458a_100000070787_100009816335 [0,2,0,0,0,0|1,0,1]=4 6079 B10R0.98 C=C(C)C(=O)OCCN(C)C 2230a_100102631434_100009816335 [0,2,0,0,0,0|2,0,0]=4 6080 B10R0.98 C=C(C)C(=O)OCCN(C)C 269982a_100102631434_100009816335 [0,2,0,0,0,0|2,0,0]=4 6081 B10R0.98 C=C(C)COCC(=O)C(=O)C 34a_100000210245_100011261029 [0,2,0,0,0,0|0,0,1]=3 6082 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100000748629_100011261029 [0,2,0,0,0,0|0,0,1]=3 6083 B10R0.98 C=C(C)CSCC(=O)C(=O)C 62a_100011261029_100000211660 [0,2,0,0,0,0|0,0,1]=3 6084 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 11a_100000210545_100000039160 [0,2,0,0,0,0|1,0,1]=4 6085 B10R0.98 C=C(Cl)C(=O)NCCC(C)C 1626a_100000210545_100000039160 [0,2,0,0,0,0|1,0,1]=4 6086 B10R0.98 C=C(F)C(=O)NCCC(C)C 11a_100000210545_100000036797 [0,2,0,0,0,0|1,0,1]=4 6087 B10R0.98 C=C(F)C(=O)NCCC(C)C 1626a_100000210545_100000036797 [0,2,0,0,0,0|1,0,1]=4 6088 B10R0.98 C=C(F)COCC(=O)C(=O)C 34a_200010262243_100011261029 [0,2,0,0,0,0|0,0,2]=4 6089 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100000042424_100011261029 [0,2,0,0,0,0|0,0,2]=4 6090 B10R0.98 C=C(F)CSCC(=O)C(=O)C 62a_100011261029_100000042424 [0,2,0,0,0,0|0,0,2]=4 6091 B10R0.98 CC(=O)C(=O)CNCC(=O)O 269956a_100016091260_100011261029 [0,2,0,0,0,0|1,0,1]=4 6092 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|0,0,0]=2 6093 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|0,0,0]=2 6094 B10R0.98 CC(=O)C(=O)CNCC(F)F 34a_100000765723_100011261029 [0,2,0,0,0,0|1,0,0]=3 6095 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|0,0,0]=2 6096 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|0,0,0]=2 6097 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|0,0,0]=2 6098 B10R0.98 CC(=O)C(=O)COCC(F)F 34a_100000743014_100011261029 [0,2,0,0,0,0|1,0,0]=3 6099 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|0,0,0]=2 6100 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|0,0,0]=2 6101 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,2,0,0,0,0|1,0,1]=4 6102 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,2,0,0,0,0|1,0,1]=4 6103 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100011261029_100020667443 [0,2,0,0,0,0|1,0,1]=4 6104 B10R0.98 CC(=O)C(=O)CSCC(=O)[O-] 62a_100020667443_100011261029 [0,2,0,0,0,0|1,0,1]=4 6105 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|0,0,0]=2 6106 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|0,0,0]=2 6107 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|0,0,0]=2 6108 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|0,0,0]=2 6109 B10R0.98 CC(=O)C(=O)CSCC(F)F 62a_100011261029_100011934356 [0,2,0,0,0,0|1,0,0]=3 6110 B10R0.98 CC(=O)C(=O)CSCC(F)F 62a_100011934356_100011261029 [0,2,0,0,0,0|1,0,0]=3 6111 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|0,0,0]=2 6112 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|0,0,0]=2 6113 B10R0.98 CC(=O)C(=O)CSC[N+](=O)[O-] 62a_100011261029_100000761209 [0,2,0,0,0,0|2,0,0]=4 6114 B10R0.98 CC(=O)C(C)COCC(C)C 34a_100000032740_100000210624 [0,2,0,0,0,0|1,0,1]=4 6115 B10R0.98 CC(=O)C(C)COCC(C)C 7a_100000032740_100000210760 [0,2,0,0,0,0|1,0,1]=4 6116 B10R0.98 CC(=O)C(C)COCC(C)O 34a_100000032740_100011218427 [0,2,0,0,0,0|1,0,1]=4 6117 B10R0.98 CC(=O)C(C)COCC(C)O 7a_100000032740_100011218427 [0,2,0,0,0,0|1,0,1]=4 6118 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 34a_100000032740_100009817552 [0,2,0,0,0,0|1,0,1]=4 6119 B10R0.98 CC(=O)C(C)COC[C@@H](C)O 7a_100000032740_100009817552 [0,2,0,0,0,0|1,0,1]=4 6120 B10R0.98 CC(=O)C(C)NCCC(C)O 2230a_200000755665_100009814033 [0,2,0,0,0,0|1,0,1]=4 6121 B10R0.98 CC(=O)C(C)OCCC(C)C 34a_100000212229_100000210312 [0,2,0,0,0,0|1,0,1]=4 6122 B10R0.98 CC(=O)C(C)OCCC(C)C 7a_100000210254_100000179758 [0,2,0,0,0,0|1,0,1]=4 6123 B10R0.98 CC(=O)C(C)OCCC(C)O 34a_100000212229_100012276601 [0,2,0,0,0,0|1,0,1]=4 6124 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100000210312_100009814033 [0,2,0,0,0,0|1,0,1]=4 6125 B10R0.98 CC(=O)C(C)SCCC(C)C 62a_100009814033_100000210312 [0,2,0,0,0,0|1,0,1]=4 6126 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100009814033_100012276601 [0,2,0,0,0,0|1,0,1]=4 6127 B10R0.98 CC(=O)C(C)SCCC(C)O 62a_100012276601_100009814033 [0,2,0,0,0,0|1,0,1]=4 6128 B10R0.98 CC(=O)CCCC(=O)C(C)C 1458a_100000210198_100011215641 [0,2,0,0,0,0|1,0,1]=4 6129 B10R0.98 CC(=O)CCCC(=O)C(C)F 1458a_100000062450_100011215641 [0,2,0,0,0,0|1,0,1]=4 6130 B10R0.98 CC(=O)CCCC(=O)N(C)C 1458a_100000070787_100000737642 [0,2,0,0,0,0|2,0,0]=4 6131 B10R0.98 CC(=O)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011215641 [0,2,0,0,0,0|0,0,2]=4 6132 B10R0.98 CC(=O)CCCC(=O)[C@H](C)O 1458a_217856618621_100011215641 [0,2,0,0,0,0|0,0,2]=4 6133 B10R0.98 CC(=O)COCC(=O)C(=O)C 34a_100000211253_100011261029 [0,2,0,0,0,0|0,0,1]=3 6134 B10R0.98 CC(=O)N(C)CCCN(C)C 240690a_100000225831_100015343762 [0,2,0,0,0,0|2,0,0]=4 6135 B10R0.98 CC(Br)COCC(=O)C(C)C 34a_100012180447_100000753385 [0,2,0,0,0,0|1,0,1]=4 6136 B10R0.98 CC(Br)COCC(=O)N(C)C 34a_100012180447_100000692301 [0,2,0,0,0,0|2,0,0]=4 6137 B10R0.98 CC(C)C(=O)CCCN(C)C 1458a_100000210198_100000695564 [0,2,0,0,0,0|1,0,1]=4 6138 B10R0.98 CC(C)C(=O)COC[C@@H](C)Cl 34a_100016084084_100000753385 [0,2,0,0,0,0|1,0,1]=4 6139 B10R0.98 CC(C)C(=O)COC[C@@H](C)N 34a_100000737577_100000753385 [0,2,0,0,0,0|1,0,1]=4 6140 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100000753385_100009817552 [0,2,0,0,0,0|1,0,1]=4 6141 B10R0.98 CC(C)C(=O)CSC[C@@H](C)O 62a_100009817552_100000753385 [0,2,0,0,0,0|1,0,1]=4 6142 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100000210198_100011214892 [0,2,0,0,0,0|1,0,1]=4 6143 B10R0.98 CC(C)CCCC(=O)C(C)C 1458a_100011216857_100000210206 [0,2,0,0,0,0|1,0,1]=4 6144 B10R0.98 CC(C)CCCC(=O)C(C)F 1458a_100000062450_100011214892 [0,2,0,0,0,0|1,0,1]=4 6145 B10R0.98 CC(C)CCCC(=O)N(C)C 11a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 6146 B10R0.98 CC(C)CCCC(=O)N(C)C 1626a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 6147 B10R0.98 CC(C)CCCC(=O)N(C)C 240690a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 6148 B10R0.98 CC(C)CCCC(=O)N(C)C 527a_100102631434_100011216857 [0,2,0,0,0,0|2,0,0]=4 6149 B10R0.98 CC(C)CCCC(=O)[C@@H](C)O 1458a_100000717761_100011214892 [0,2,0,0,0,0|0,0,2]=4 6150 B10R0.98 CC(C)CCCC(=O)[C@H](C)O 1458a_217856618621_100011214892 [0,2,0,0,0,0|0,0,2]=4 6151 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,2,0,0,0,0|1,0,0]=3 6152 B10R0.98 CC(C)CCNC(=O)C(C)C 11a_100000210545_100000210198 [0,2,0,0,0,0|1,0,1]=4 6153 B10R0.98 CC(C)CCNC(=O)C(C)C 1626a_100000210545_100000210198 [0,2,0,0,0,0|1,0,1]=4 6154 B10R0.98 CC(C)CCNC(=O)C(C)C 240690a_100000210545_100000210198 [0,2,0,0,0,0|1,0,1]=4 6155 B10R0.98 CC(C)CCNC(=O)C(C)C 527a_100000210545_100000210198 [0,2,0,0,0,0|1,0,1]=4 6156 B10R0.98 CC(C)CCNC(=O)C(C)F 11a_100000210545_100000062450 [0,2,0,0,0,0|1,0,1]=4 6157 B10R0.98 CC(C)CCNC(=O)C(C)F 1626a_100000210545_100000062450 [0,2,0,0,0,0|1,0,1]=4 6158 B10R0.98 CC(C)CCNC(=O)C(C)F 240690a_100000210545_100000062450 [0,2,0,0,0,0|1,0,1]=4 6159 B10R0.98 CC(C)CCNC(=O)C(C)F 527a_100000210545_100000062450 [0,2,0,0,0,0|1,0,1]=4 6160 B10R0.98 CC(C)CCNC(=O)N(C)C 2708a_100000210545_100102631434 [0,2,0,0,0,0|2,0,0]=4 6161 B10R0.98 CC(C)CCNC(=O)[C@@H](C)O 240690a_100000210545_100000717761 [0,2,0,0,0,0|0,0,2]=4 6162 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 1626a_100000210545_217856618621 [0,2,0,0,0,0|0,0,2]=4 6163 B10R0.98 CC(C)CCNC(=O)[C@H](C)O 240690a_100000210545_217856618621 [0,2,0,0,0,0|0,0,2]=4 6164 B10R0.98 CC(C)CNCC(=O)C(C)C 2230a_100000210953_100000753385 [0,2,0,0,0,0|1,0,1]=4 6165 B10R0.98 CC(C)CNCC(=O)C(C)C 34a_100000210953_100000753385 [0,2,0,0,0,0|1,0,1]=4 6166 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100000210953_100000185267 [0,2,0,0,0,0|2,0,0]=4 6167 B10R0.98 CC(C)CNCC(=O)N(C)C 2230a_100015183351_100000210760 [0,2,0,0,0,0|2,0,0]=4 6168 B10R0.98 CC(C)CNCC(=O)N(C)C 270004a_100015183351_100000210432 [0,2,0,0,0,0|2,0,0]=4 6169 B10R0.98 CC(C)CNCC(=O)N(C)C 34a_100000210953_100000692301 [0,2,0,0,0,0|2,0,0]=4 6170 B10R0.98 CC(C)CNNC(=O)C(=O)N 22a_100000696102_100011215815 [0,2,0,0,0,0|2,0,0]=4 6171 B10R0.98 CC(C)COCC(=O)C(C)C 1458a_100011223364_100000210206 [0,2,0,0,0,0|1,0,1]=4 6172 B10R0.98 CC(C)COCC(=O)C(C)C 34a_100000210257_100000753385 [0,2,0,0,0,0|1,0,1]=4 6173 B10R0.98 CC(C)COCC(=O)N(C)C 11a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6174 B10R0.98 CC(C)COCC(=O)N(C)C 1626a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6175 B10R0.98 CC(C)COCC(=O)N(C)C 240690a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6176 B10R0.98 CC(C)COCC(=O)N(C)C 34a_100000210257_100000692301 [0,2,0,0,0,0|2,0,0]=4 6177 B10R0.98 CC(C)COCC(=O)N(C)C 527a_100102631434_100011223364 [0,2,0,0,0,0|2,0,0]=4 6178 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000210624_100000753385 [0,2,0,0,0,0|1,0,1]=4 6179 B10R0.98 CC(C)CSCC(=O)C(C)C 62a_100000753385_100000210760 [0,2,0,0,0,0|1,0,1]=4 6180 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000210624_100000692301 [0,2,0,0,0,0|2,0,0]=4 6181 B10R0.98 CC(C)CSCC(=O)N(C)C 62a_100000692301_100000210760 [0,2,0,0,0,0|2,0,0]=4 6182 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100000738053_100000210206 [0,2,0,0,0,0|2,0,0]=4 6183 B10R0.98 CC(C)NCCC(=O)N(C)C 2230a_100138425928_100000737620 [0,2,0,0,0,0|2,0,0]=4 6184 B10R0.98 CC(C)OCCC(=O)C(C)C 1458a_100000210198_100000211751 [0,2,0,0,0,0|1,0,1]=4 6185 B10R0.98 CC(C)OCCC(=O)C(C)F 1458a_100000062450_100000211751 [0,2,0,0,0,0|1,0,1]=4 6186 B10R0.98 CC(C)OCCC(=O)N(C)C 34a_200000747469_100000210206 [0,2,0,0,0,0|2,0,0]=4 6187 B10R0.98 CC(C)OCCC(=O)[C@@H](C)O 1458a_100000717761_100000211751 [0,2,0,0,0,0|0,0,2]=4 6188 B10R0.98 CC(C)OCCC(=O)[C@H](C)O 1458a_217856618621_100000211751 [0,2,0,0,0,0|0,0,2]=4 6189 B10R0.98 CC(C)SCCC(=O)C(C)C 1458a_100000210198_100000730970 [0,2,0,0,0,0|1,0,1]=4 6190 B10R0.98 CC(C)SCCC(=O)C(C)F 1458a_100000062450_100000730970 [0,2,0,0,0,0|1,0,1]=4 6191 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000210206_100000737620 [0,2,0,0,0,0|2,0,0]=4 6192 B10R0.98 CC(C)SCCC(=O)N(C)C 62a_100000737620_100000210206 [0,2,0,0,0,0|2,0,0]=4 6193 B10R0.98 CC(C)SCCC(=O)[C@@H](C)O 1458a_100000717761_100000730970 [0,2,0,0,0,0|0,0,2]=4 6194 B10R0.98 CC(C)SCCC(=O)[C@H](C)O 1458a_217856618621_100000730970 [0,2,0,0,0,0|0,0,2]=4 6195 B10R0.98 CC(F)C(=O)CCCN(C)C 1458a_100000062450_100000695564 [0,2,0,0,0,0|1,0,1]=4 6196 B10R0.98 CC(F)COCC(=O)C(C)C 34a_100015925927_100000753385 [0,2,0,0,0,0|1,0,1]=4 6197 B10R0.98 CC(F)COCC(=O)N(C)C 34a_100015925927_100000692301 [0,2,0,0,0,0|2,0,0]=4 6198 B10R0.98 CC(O)CCCC(=O)C(C)C 1458a_100000210198_200000718107 [0,2,0,0,0,0|1,0,1]=4 6199 B10R0.98 CC(O)CCCC(=O)C(C)F 1458a_100000062450_200000718107 [0,2,0,0,0,0|1,0,1]=4 6200 B10R0.98 CC(O)CCCC(=O)N(C)C 1626a_100102631434_100000761597 [0,2,0,0,0,0|2,0,0]=4 6201 B10R0.98 CC(O)CCCC(=O)N(C)C 527a_100102631434_100000761597 [0,2,0,0,0,0|2,0,0]=4 6202 B10R0.98 CC(O)CCCC(=O)[C@@H](C)O 1458a_100000717761_200000718107 [0,2,0,0,0,0|0,0,2]=4 6203 B10R0.98 CC(O)CCCC(=O)[C@H](C)O 1458a_217856618621_200000718107 [0,2,0,0,0,0|0,0,2]=4 6204 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,2,0,0,0,0|1,0,0]=3 6205 B10R0.98 CC(O)CCNC(=O)C(C)C 240690a_200000755665_100000210198 [0,2,0,0,0,0|1,0,1]=4 6206 B10R0.98 CC(O)CCNC(=O)C(C)C 527a_200000755665_100000210198 [0,2,0,0,0,0|1,0,1]=4 6207 B10R0.98 CC(O)CCNC(=O)C(C)F 240690a_200000755665_100000062450 [0,2,0,0,0,0|1,0,1]=4 6208 B10R0.98 CC(O)CCNC(=O)C(C)F 527a_200000755665_100000062450 [0,2,0,0,0,0|1,0,1]=4 6209 B10R0.98 CC(O)CCNC(=O)[C@@H](C)O 240690a_200000755665_100000717761 [0,2,0,0,0,0|0,0,2]=4 6210 B10R0.98 CC(O)CCNC(=O)[C@H](C)O 240690a_200000755665_217856618621 [0,2,0,0,0,0|0,0,2]=4 6211 B10R0.98 CC(O)CNCC(=O)C(C)C 2230a_100000210904_100000753385 [0,2,0,0,0,0|1,0,1]=4 6212 B10R0.98 CC(O)CNCC(=O)C(C)C 34a_100000210904_100000753385 [0,2,0,0,0,0|1,0,1]=4 6213 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100000210904_100000185267 [0,2,0,0,0,0|2,0,0]=4 6214 B10R0.98 CC(O)CNCC(=O)N(C)C 2230a_100015183351_100011218427 [0,2,0,0,0,0|2,0,0]=4 6215 B10R0.98 CC(O)CNCC(=O)N(C)C 34a_100000210904_100000692301 [0,2,0,0,0,0|2,0,0]=4 6216 B10R0.98 CC(O)CNNC(=O)C(=O)N 22a_200000730056_100011215815 [0,2,0,0,0,0|2,0,0]=4 6217 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100000753385_100011218427 [0,2,0,0,0,0|1,0,1]=4 6218 B10R0.98 CC(O)CSCC(=O)C(C)C 62a_100011218427_100000753385 [0,2,0,0,0,0|1,0,1]=4 6219 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100000692301_100011218427 [0,2,0,0,0,0|2,0,0]=4 6220 B10R0.98 CC(O)CSCC(=O)N(C)C 62a_100011218427_100000692301 [0,2,0,0,0,0|2,0,0]=4 6221 B10R0.98 CN(C)CCCC(=O)N(C)C 11a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 6222 B10R0.98 CN(C)CCCC(=O)N(C)C 2230a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 6223 B10R0.98 CN(C)CCCC(=O)N(C)C 240690a_100102631434_100000740757 [0,2,0,0,0,0|2,0,0]=4 6224 B10R0.98 CN(C)CCCC(=O)N(C)C 269982a_100102631434_100000737642 [0,2,0,0,0,0|2,0,0]=4 6225 B10R0.98 CN(C)CCNC(=O)C(=O)N 240690a_100000210585_100011215815 [0,2,0,0,0,0|2,0,0]=4 6226 B10R0.98 C[C@@H](Cl)COCC(=O)N(C)C 34a_100016084084_100000692301 [0,2,0,0,0,0|2,0,0]=4 6227 B10R0.98 C[C@@H](N)COCC(=O)N(C)C 34a_100000737577_100000692301 [0,2,0,0,0,0|2,0,0]=4 6228 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|0,0,2]=4 6229 B10R0.98 C[C@@H](O)CNCC(=O)N(C)C 2230a_100015183351_100009817552 [0,2,0,0,0,0|2,0,0]=4 6230 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100000692301_100009817552 [0,2,0,0,0,0|2,0,0]=4 6231 B10R0.98 C[C@@H](O)CSCC(=O)N(C)C 62a_100009817552_100000692301 [0,2,0,0,0,0|2,0,0]=4 6232 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|0,0,2]=4 6233 B8R1.1 CCN1CNC(=O)C1 2230a_200000708111_100000210202 [1,0,0,1,0,0|2,0,0]=4 6234 B8R1.1 CNC1CNC(=O)C1 2230a_100000697751_200000210301 [1,0,0,1,0,0|2,0,0]=4 6235 B8R1.1 COC1CCC(=O)C1 34a_100012614533_200000210301 [1,0,0,1,0,0|1,0,1]=4 6236 B8R1.1 COC1CNC(=O)C1 34a_100000690082_200000210301 [1,0,0,1,0,0|2,0,0]=4 6237 B8R1.1 [13CH3]NC1CNC(=O)C1 2230a_100000697751_200025704644 [1,0,0,1,0,0|2,0,0]=4 6238 B8R1.1 [13CH3]OC1CCC(=O)C1 34a_100012614533_200025704644 [1,0,0,1,0,0|1,0,1]=4 6239 B8R1.1 [13CH3]OC1CNC(=O)C1 34a_100000690082_200025704644 [1,0,0,1,0,0|2,0,0]=4 6240 B8R1.3 CC1=CCN(CC1)C 2230a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 6241 B8R1.3 CC1=CCN(CC1)C 269982a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 6242 B8R1.3 CC1=CCN(CC1)C 34a_100000693516_200000210301 [1,0,0,1,0,0|2,0,0]=4 6243 B8R1.3 CC1=CCN(CC1)[13CH3] 2230a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 6244 B8R1.3 CC1=CCN(CC1)[13CH3] 269982a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 6245 B8R1.3 CC1=CCN(CC1)[13CH3] 34a_100000693516_200025704644 [1,0,0,1,0,0|2,0,0]=4 6246 B8R1.13 CCOC1CCC1=O 34a_100121572206_100009892977 [1,0,0,1,0,0|1,0,1]=4 6247 B8R1.13 CCSC1CCC1=O 62a_100000210202_100009892977 [1,0,0,1,0,0|1,0,1]=4 6248 B8R1.13 CCSC1CCC1=O 62a_100009892977_100000210202 [1,0,0,1,0,0|1,0,1]=4 6249 B8R1.38 C#CC(=O)C1CCC1 1458a_100000211873_100000749161 [1,0,0,1,0,0|0,0,2]=4 6250 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|0,0,1]=3 6251 B8R1.38 C=CC(=O)C1COC1 1458a_100000185746_100000687716 [1,0,0,1,0,0|1,0,1]=4 6252 B8R1.38 C=CC(=O)N1CCC1 240690a_100000754969_200121576911 [1,0,0,1,0,0|1,0,1]=4 6253 B8R1.38 CCC(=O)C1CCC1 1458a_100000209988_100000210202 [1,0,0,1,0,0|0,0,1]=3 6254 B8R1.38 CCC(=O)C1CCC1 1458a_100000210414_100000749161 [1,0,0,1,0,0|0,0,1]=3 6255 B8R1.38 CCC(=O)C1CCO1 1458a_100000089072_100000210202 [1,0,0,1,0,0|1,0,1]=4 6256 B8R1.38 CCC(=O)C1COC1 1458a_100000210414_100000687716 [1,0,0,1,0,0|1,0,1]=4 6257 B8R1.38 CCC(=O)C1COC1 1458a_100000758290_100000210202 [1,0,0,1,0,0|1,0,1]=4 6258 B8R1.38 CCC(=O)N1CCC1 11a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 6259 B8R1.38 CCC(=O)N1CCC1 240690a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 6260 B8R1.38 CCC(=O)N1CCC1 527a_100000754969_100000210414 [1,0,0,1,0,0|1,0,1]=4 6261 B8R1.38 CNC(=O)C1CCC1 11a_106832991635_100000209988 [1,0,0,1,0,0|1,0,0]=3 6262 B8R1.38 CNC(=O)C1CCC1 1626a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 6263 B8R1.38 CNC(=O)C1CCC1 240690a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 6264 B8R1.38 CNC(=O)C1CCC1 527a_100102657272_100000209988 [1,0,0,1,0,0|1,0,0]=3 6265 B8R1.38 CNC(=O)C1CCO1 11a_106832991635_100000089072 [1,0,0,1,0,0|2,0,0]=4 6266 B8R1.38 CNC(=O)C1CCO1 1626a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 6267 B8R1.38 CNC(=O)C1CCO1 240690a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 6268 B8R1.38 CNC(=O)C1CCO1 527a_100102657272_100000089072 [1,0,0,1,0,0|2,0,0]=4 6269 B8R1.38 CNC(=O)C1COC1 11a_106832991635_100000758290 [1,0,0,1,0,0|2,0,0]=4 6270 B8R1.38 CNC(=O)C1COC1 1626a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 6271 B8R1.38 CNC(=O)C1COC1 240690a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 6272 B8R1.38 CNC(=O)C1COC1 527a_100102657272_100000758290 [1,0,0,1,0,0|2,0,0]=4 6273 B8R1.38 CNC(=O)N1CCC1 2708a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 6274 B8R1.38 CNC(=O)N1CCC1 273464a_100102657272_100000754969 [1,0,0,1,0,0|2,0,0]=4 6275 B8R1.38 O=C(CF)C1CCC1 1458a_100000209988_100015361967 [1,0,0,1,0,0|1,0,1]=4 6276 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|0,0,2]=4 6277 B8R1.40 C#CC(=O)CC1CC1 1458a_100000211873_100000742324 [1,0,0,1,0,0|0,0,2]=4 6278 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|0,0,1]=3 6279 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|1,0,1]=4 6280 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|1,0,1]=4 6281 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|1,0,1]=4 6282 B8R1.40 C=CC(=O)NC1CC1 1626a_100000212008_100000185746 [1,0,0,1,0,0|1,0,1]=4 6283 B8R1.40 C=CC(=O)NC1CC1 240690a_100000212008_200121576911 [1,0,0,1,0,0|1,0,1]=4 6284 B8R1.40 CCC(=O)CC1CC1 1458a_100000210414_100000742324 [1,0,0,1,0,0|0,0,1]=3 6285 B8R1.40 CCC(=O)CC1CC1 1458a_100000738066_100000210202 [1,0,0,1,0,0|0,0,1]=3 6286 B8R1.40 CCC(=O)CC1CO1 1458a_100000210414_100011216344 [1,0,0,1,0,0|1,0,1]=4 6287 B8R1.40 CCC(=O)CC1CS1 1458a_100000210414_100000031435 [1,0,0,1,0,0|1,0,1]=4 6288 B8R1.40 CCC(=O)C[C@@H]1CO1 1458a_100000210414_100000745022 [1,0,0,1,0,0|1,0,1]=4 6289 B8R1.40 CCC(=O)NC1CC1 1626a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 6290 B8R1.40 CCC(=O)NC1CC1 240690a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 6291 B8R1.40 CCC(=O)NC1CC1 527a_100000212008_100000210414 [1,0,0,1,0,0|1,0,1]=4 6292 B8R1.40 CNC(=O)CC1CC1 11a_106832991635_100000738066 [1,0,0,1,0,0|1,0,0]=3 6293 B8R1.40 CNC(=O)CC1CC1 1626a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6294 B8R1.40 CNC(=O)CC1CC1 240690a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6295 B8R1.40 CNC(=O)CC1CC1 527a_100102657272_100000738066 [1,0,0,1,0,0|1,0,0]=3 6296 B8R1.40 CNC(=O)NC1CC1 2708a_100000212008_106832991635 [1,0,0,1,0,0|2,0,0]=4 6297 B8R1.40 CNC(=O)NC1CC1 2708a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 6298 B8R1.40 CNC(=O)NC1CC1 273464a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 6299 B8R1.40 CNC(=O)NC1CC1 273464a_100102657272_100000212008 [1,0,0,1,0,0|2,0,0]=4 6300 B8R1.40 CNC(=O)NC1CC1 512a_100000212008_100102657272 [1,0,0,1,0,0|2,0,0]=4 6301 B8R1.40 O=C(CF)CC1CC1 1458a_100000738066_100015361967 [1,0,0,1,0,0|1,0,1]=4 6302 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|0,0,2]=4 6303 B8R1.83 CC1CC1C(=O)CF 1458a_100000211227_100015361967 [1,0,0,1,0,0|1,0,1]=4 6304 B8R1.83 CCC(=O)C1CC1C 1458a_100000211227_100000210202 [1,0,0,1,0,0|0,0,1]=3 6305 B8R1.83 CCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210202 [1,0,0,1,0,0|1,0,1]=4 6306 B8R1.83 CNC(=O)C1CC1C 11a_106832991635_100000211227 [1,0,0,1,0,0|1,0,0]=3 6307 B8R1.83 CNC(=O)C1CC1C 1626a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 6308 B8R1.83 CNC(=O)C1CC1C 527a_100102657272_100000211227 [1,0,0,1,0,0|1,0,0]=3 6309 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 11a_106832991635_100015396687 [1,0,0,1,0,0|2,0,0]=4 6310 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 240690a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 6311 B8R1.83 CNC(=O)[C@@H]1C[C@@H]1F 527a_100102657272_100015396687 [1,0,0,1,0,0|2,0,0]=4 6312 B8R1.83 COC(=O)C1CN1C 2230a_200009830135_200000210301 [1,0,0,1,0,0|2,0,0]=4 6313 B8R1.83 COC(=O)C1CN1[13CH3] 2230a_200009830135_200025704644 [1,0,0,1,0,0|2,0,0]=4 6314 B8R1.4 CC1=CCCN(C1)C 2230a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 6315 B8R1.4 CC1=CCCN(C1)C 269982a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 6316 B8R1.4 CC1=CCCN(C1)C 34a_100000725631_200000210301 [1,0,0,1,0,0|2,0,0]=4 6317 B8R1.4 CC1=CCCN(C1)[13CH3] 2230a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 6318 B8R1.4 CC1=CCCN(C1)[13CH3] 269982a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 6319 B8R1.4 CC1=CCCN(C1)[13CH3] 34a_100000725631_200025704644 [1,0,0,1,0,0|2,0,0]=4 6320 B8R1.4 CN1CCNC(=O)C1 2230a_100000184651_200000210301 [1,0,0,1,0,0|2,0,0]=4 6321 B8R1.4 CN1CCOC(=O)C1 2230a_100000131268_200000210301 [1,0,0,1,0,0|2,0,0]=4 6322 B8R1.4 [13CH3]N1CCNC(=O)C1 2230a_100000184651_200025704644 [1,0,0,1,0,0|2,0,0]=4 6323 B8R1.4 [13CH3]N1CCOC(=O)C1 2230a_100000131268_200025704644 [1,0,0,1,0,0|2,0,0]=4 6324 B8R1.6 CCSC1CC(=O)C1 62a_100009894365_100000210202 [1,0,0,1,0,0|1,0,1]=4 6325 B8R1.6 CNCC1CC(=O)C1 2230a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 6326 B8R1.6 CNCC1CC(=O)C1 7a_106832991635_100009874392 [1,0,0,1,0,0|1,0,1]=4 6327 B8R1.6 COCC1CC(=O)C1 34a_100000101936_200000210301 [1,0,0,1,0,0|1,0,1]=4 6328 B8R1.6 CSCC1CC(=O)C1 62a_100009874392_200000210301 [1,0,0,1,0,0|1,0,1]=4 6329 B8R1.6 CSCC1CC(=O)C1 62a_200000210301_100009874392 [1,0,0,1,0,0|1,0,1]=4 6330 B8R1.6 [13CH3]OCC1CC(=O)C1 34a_100000101936_200025704644 [1,0,0,1,0,0|1,0,1]=4 6331 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_100009874392_200025704644 [1,0,0,1,0,0|1,0,1]=4 6332 B8R1.6 [13CH3]SCC1CC(=O)C1 62a_200025704644_100009874392 [1,0,0,1,0,0|1,0,1]=4 6333 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|0,0,1]=3 6334 B8R1.7 CC(=O)C1=CCOC1 1458a_100000139269_200000210301 [1,0,0,1,0,0|1,0,1]=4 6335 B8R1.7 CC(=O)C1=COCC1 1458a_100000750620_200000210301 [1,0,0,1,0,0|1,0,1]=4 6336 B8R1.7 CC(=O)C1CCCC1 1458a_100000070787_100000179811 [1,0,0,1,0,0|0,0,1]=3 6337 B8R1.7 CC(=O)C1CCCC1 1458a_100000210718_200000210301 [1,0,0,1,0,0|0,0,1]=3 6338 B8R1.7 CC(=O)C1CCCS1 1458a_100012002731_200000210301 [1,0,0,1,0,0|1,0,1]=4 6339 B8R1.7 CC(=O)C1CCOC1 1458a_100000070787_100000690089 [1,0,0,1,0,0|1,0,1]=4 6340 B8R1.7 CC(=O)C1CCOC1 1458a_100011219752_200000210301 [1,0,0,1,0,0|1,0,1]=4 6341 B8R1.7 CC(=O)N1CCCC1 240690a_100000188435_100015343762 [1,0,0,1,0,0|1,0,0]=3 6342 B8R1.7 CC(=O)N1CCCC1 527a_100000188435_100103153847 [1,0,0,1,0,0|1,0,0]=3 6343 B8R1.7 CC(=O)N1CCSC1 11a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 6344 B8R1.7 CC(=O)N1CCSC1 240690a_100011215254_100015343762 [1,0,0,1,0,0|2,0,0]=4 6345 B8R1.7 CC(=O)N1CCSC1 527a_100011215254_100103153847 [1,0,0,1,0,0|2,0,0]=4 6346 B8R1.7 CC(=O)[C@@H]1CCCO1 1458a_100000686382_200000210301 [1,0,0,1,0,0|1,0,1]=4 6347 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|0,0,1]=3 6348 B8R1.7 [13CH3]C(=O)C1=CCOC1 1458a_100000139269_200025704644 [1,0,0,1,0,0|1,0,1]=4 6349 B8R1.7 [13CH3]C(=O)C1=COCC1 1458a_100000750620_200025704644 [1,0,0,1,0,0|1,0,1]=4 6350 B8R1.7 [13CH3]C(=O)C1CCCC1 1458a_100000210718_200025704644 [1,0,0,1,0,0|0,0,1]=3 6351 B8R1.7 [13CH3]C(=O)C1CCCS1 1458a_100012002731_200025704644 [1,0,0,1,0,0|1,0,1]=4 6352 B8R1.7 [13CH3]C(=O)C1CCOC1 1458a_100011219752_200025704644 [1,0,0,1,0,0|1,0,1]=4 6353 B8R1.7 [13CH3]C(=O)[C@@H]1CCCO1 1458a_100000686382_200025704644 [1,0,0,1,0,0|1,0,1]=4 6354 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100015343762 [1,0,0,1,0,0|2,0,0]=4 6355 B8R1.20 CC(=O)N[C@@H]1C[C@@H]1F 527a_100015190264_100103153847 [1,0,0,1,0,0|2,0,0]=4 6356 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6357 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6358 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100015343762 [1,0,0,1,0,0|2,0,0]=4 6359 B8R1.20 CC(=O)N[C@@H]1C[C@H]1F 527a_100025746932_100103153847 [1,0,0,1,0,0|2,0,0]=4 6360 B8R1.31 CC(=O)N1CCC1C 11a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 6361 B8R1.31 CC(=O)N1CCC1C 240690a_100000755817_100015343762 [1,0,0,1,0,0|1,0,0]=3 6362 B8R1.31 CC(=O)N1CCC1C 527a_100000755817_100103153847 [1,0,0,1,0,0|1,0,0]=3 6363 B8R1.34 CC(=O)C=C1CCC1 1458a_100000686340_200000210301 [1,0,0,1,0,0|0,0,1]=3 6364 B8R1.34 CC(=O)CC1CCC1 1458a_100000070787_100000763275 [1,0,0,1,0,0|0,0,1]=3 6365 B8R1.34 CC(=O)CC1CCC1 1458a_100000763092_200000210301 [1,0,0,1,0,0|0,0,1]=3 6366 B8R1.34 CC(=O)CC1CCO1 1458a_100000070787_100000103362 [1,0,0,1,0,0|1,0,1]=4 6367 B8R1.34 CC(=O)CC1COC1 1458a_100000070787_100010264016 [1,0,0,1,0,0|1,0,1]=4 6368 B8R1.34 CC(=O)CC1COC1 1458a_100000687760_200000210301 [1,0,0,1,0,0|1,0,1]=4 6369 B8R1.34 CC(=O)NC1CCC1 11a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6370 B8R1.34 CC(=O)NC1CCC1 1626a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6371 B8R1.34 CC(=O)NC1CCC1 240690a_100000749019_100015343762 [1,0,0,1,0,0|1,0,0]=3 6372 B8R1.34 CC(=O)NC1CCC1 527a_100000749019_100103153847 [1,0,0,1,0,0|1,0,0]=3 6373 B8R1.34 CC(=O)NC1COC1 11a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 6374 B8R1.34 CC(=O)NC1COC1 1626a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 6375 B8R1.34 CC(=O)NC1COC1 240690a_100016991112_100015343762 [1,0,0,1,0,0|2,0,0]=4 6376 B8R1.34 CC(=O)NC1COC1 527a_100016991112_100103153847 [1,0,0,1,0,0|2,0,0]=4 6377 B8R1.34 CC(=O)NC1CSC1 11a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 6378 B8R1.34 CC(=O)NC1CSC1 1626a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 6379 B8R1.34 CC(=O)NC1CSC1 240690a_100016994217_100015343762 [1,0,0,1,0,0|2,0,0]=4 6380 B8R1.34 CC(=O)NC1CSC1 527a_100016994217_100103153847 [1,0,0,1,0,0|2,0,0]=4 6381 B8R1.34 [13CH3]C(=O)C=C1CCC1 1458a_100000686340_200025704644 [1,0,0,1,0,0|0,0,1]=3 6382 B8R1.34 [13CH3]C(=O)CC1CCC1 1458a_100000763092_200025704644 [1,0,0,1,0,0|0,0,1]=3 6383 B8R1.34 [13CH3]C(=O)CC1COC1 1458a_100000687760_200025704644 [1,0,0,1,0,0|1,0,1]=4 6384 B8R1.35 CC(=O)C=CC1CC1 1458a_100102529529_200000210301 [1,0,0,1,0,0|0,0,1]=3 6385 B8R1.35 CC(=O)CCC1CC1 1458a_100000070787_100000694398 [1,0,0,1,0,0|0,0,1]=3 6386 B8R1.35 CC(=O)CCC1CC1 1458a_100000756386_200000210301 [1,0,0,1,0,0|0,0,1]=3 6387 B8R1.35 CC(=O)CCC1CO1 1458a_100000070787_100000732470 [1,0,0,1,0,0|1,0,1]=4 6388 B8R1.35 CC(=O)COC1CC1 34a_100000211253_100000211595 [1,0,0,1,0,0|1,0,1]=4 6389 B8R1.35 CC(=O)NCC1CC1 11a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6390 B8R1.35 CC(=O)NCC1CC1 1626a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6391 B8R1.35 CC(=O)NCC1CC1 240690a_100000735609_100015343762 [1,0,0,1,0,0|1,0,0]=3 6392 B8R1.35 CC(=O)NCC1CC1 527a_100000735609_100103153847 [1,0,0,1,0,0|1,0,0]=3 6393 B8R1.35 CC(=O)NNC1CC1 22a_100000701032_100000070787 [1,0,0,1,0,0|2,0,0]=4 6394 B8R1.35 [13CH3]C(=O)C=CC1CC1 1458a_100102529529_200025704644 [1,0,0,1,0,0|0,0,1]=3 6395 B8R1.35 [13CH3]C(=O)CCC1CC1 1458a_100000756386_200025704644 [1,0,0,1,0,0|0,0,1]=3 6396 B8R1.43 CCC1CC1C(=O)C 1458a_200011661523_200000210301 [1,0,0,1,0,0|0,0,1]=3 6397 B8R1.43 CCC1CC1C(=O)[13CH3] 1458a_200011661523_200025704644 [1,0,0,1,0,0|0,0,1]=3 6398 B8R1.23 CC(=O)C1CC(C1)C 1458a_100000686124_200000210301 [1,0,0,1,0,0|1,0,1]=4 6399 B8R1.23 CC(=O)N1CC(C1)C 11a_100000702820_100015343762 [1,0,0,1,0,0|2,0,0]=4 6400 B8R1.23 CC(=O)N1CC(C1)C 240690a_100000702820_100015343762 [1,0,0,1,0,0|2,0,0]=4 6401 B8R1.23 CC(=O)N1CC(C1)C 527a_100000702820_100103153847 [1,0,0,1,0,0|2,0,0]=4 6402 B8R1.23 CC1CC(C1)C(=O)[13CH3] 1458a_100000686124_200025704644 [1,0,0,1,0,0|1,0,1]=4 6403 B8R1.37 CCCC(=O)C1CC1 1458a_100000210395_100000210303 [1,0,0,1,0,0|1,0,1]=4 6404 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|0,0,2]=4 6405 B8R1.54 CC(=O)N(C)C1CC1 11a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 6406 B8R1.54 CC(=O)N(C)C1CC1 1626a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 6407 B8R1.54 CC(=O)N(C)C1CC1 240690a_100000226674_100015343762 [1,0,0,1,0,0|2,0,0]=4 6408 B8R1.54 CC(=O)N(C)C1CC1 527a_100000226674_100103153847 [1,0,0,1,0,0|2,0,0]=4 6409 B8R1.54 CC(C)C(=O)C1CC1 1458a_100000210395_100000210206 [1,0,0,1,0,0|1,0,1]=4 6410 B8R1.54 CN(C)C(=O)C1CC1 11a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6411 B8R1.54 CN(C)C(=O)C1CC1 1626a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6412 B8R1.54 CN(C)C(=O)C1CC1 240690a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6413 B8R1.54 CN(C)C(=O)C1CC1 527a_100102631434_100000210395 [1,0,0,1,0,0|2,0,0]=4 6414 B8R1.78 CC(=O)C1(CCC1)C 1458a_100000684636_200000210301 [1,0,0,1,0,0|1,0,1]=4 6415 B8R1.78 CC(=O)C1(CCC1)O 1458a_100000242746_200000210301 [1,0,0,1,0,0|0,0,2]=4 6416 B8R1.78 CC1(CCC1)C(=O)[13CH3] 1458a_100000684636_200025704644 [1,0,0,1,0,0|1,0,1]=4 6417 B8R1.78 [13CH3]C(=O)C1(CCC1)O 1458a_100000242746_200025704644 [1,0,0,1,0,0|0,0,2]=4 6418 B10R1.16 CCCCc1c[nH]c(n1)C 271570a_100020621405_100009814057 [0,0,0,1,0,1|2,0,0]=4 6419 B10R1.16 CCCCc1cc([nH]n1)C 271570a_100020621405_100015199547 [0,0,0,1,0,1|2,0,0]=4 6420 B10R1.16 CCCCc1cc(cs1)C 271570a_100020621405_100009876951 [0,0,0,1,0,1|1,1,0]=4 6421 B10R1.16 CCCCc1cc(ns1)C 271570a_100020621405_100009815735 [0,0,0,1,0,1|1,1,0]=4 6422 B10R1.16 CCCCc1ccc(s1)C 271570a_100020621405_100000761539 [0,0,0,1,0,1|2,0,0]=4 6423 B10R1.16 CCCCc1cnc(s1)C 271570a_100020621405_100000764884 [0,0,0,1,0,1|2,0,0]=4 6424 B10R1.16 CCCCc1csc(c1)C 271570a_100020621405_100000759034 [0,0,0,1,0,1|1,1,0]=4 6425 B10R1.16 CCCCc1csc(n1)C 271570a_100020621405_100011934587 [0,0,0,1,0,1|1,1,0]=4 6426 B10R1.16 CCCCc1n[nH]c(n1)C 271570a_100020621405_100000732540 [0,0,0,1,0,1|2,0,0]=4 6427 B10R1.16 CCCCc1nc(c[nH]1)C 271570a_100020621405_100161115468 [0,0,0,1,0,1|2,0,0]=4 6428 B10R1.16 CCCCc1nc(cs1)C 271570a_100020621405_100011291629 [0,0,0,1,0,1|1,1,0]=4 6429 B10R1.16 CCCCc1nc(no1)C 270196a_100000212224_100000210183 [0,0,0,1,0,1|1,0,1]=4 6430 B10R1.16 CCCCc1nc(ns1)C 271570a_100020621405_100000709739 [0,0,0,1,0,1|1,1,0]=4 6431 B10R1.16 CCCCc1ncc(s1)C 271570a_100020621405_100000690809 [0,0,0,1,0,1|2,0,0]=4 6432 B10R1.16 CCCCc1nnc(o1)C 271570a_100020621405_100000708914 [0,0,0,1,0,1|2,0,0]=4 6433 B10R1.16 CCCCc1nnc(s1)C 271570a_100020621405_100000686958 [0,0,0,1,0,1|2,0,0]=4 6434 B10R1.16 CCCCc1noc(n1)C 270196a_100011193411_100000070787 [0,0,0,1,0,1|1,0,1]=4 6435 B10R1.16 CCCCc1noc(n1)C 271570a_100020621405_100012003639 [0,0,0,1,0,1|1,0,1]=4 6436 B10R1.18 CC(=O)C=C1CCCCC1 1458a_100000743792_200000210301 [0,0,0,1,0,1|1,0,0]=3 6437 B10R1.18 CC(=O)C=C1CCOCC1 1458a_100000761426_200000210301 [0,0,0,1,0,1|2,0,0]=4 6438 B10R1.18 CC(=O)CC1=CCCCC1 1458a_100000039269_200000210301 [0,0,0,1,0,1|1,0,0]=3 6439 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [0,0,0,1,0,1|1,0,1]=4 6440 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [0,0,0,1,0,1|1,0,1]=4 6441 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [0,0,0,1,0,1|0,0,2]=4 6442 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [0,0,0,1,0,1|0,0,2]=4 6443 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [0,0,0,1,0,1|2,0,0]=4 6444 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [0,0,0,1,0,1|1,0,1]=4 6445 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [0,0,0,1,0,1|1,0,1]=4 6446 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [0,0,0,1,0,1|1,0,1]=4 6447 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [0,0,0,1,0,1|1,0,1]=4 6448 B10R1.18 [13CH3]C(=O)C=C1CCCCC1 1458a_100000743792_200025704644 [0,0,0,1,0,1|1,0,0]=3 6449 B10R1.18 [13CH3]C(=O)C=C1CCOCC1 1458a_100000761426_200025704644 [0,0,0,1,0,1|2,0,0]=4 6450 B10R1.18 [13CH3]C(=O)CC1=CCCCC1 1458a_100000039269_200025704644 [0,0,0,1,0,1|1,0,0]=3 6451 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [0,0,0,1,0,1|1,0,1]=4 6452 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [0,0,0,1,0,1|0,0,2]=4 6453 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [0,0,0,1,0,1|2,0,0]=4 6454 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,1|0,0,0]=2 6455 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,0,1|1,0,1]=4 6456 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,0,1|0,0,2]=4 6457 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000070787_100000687798 [0,0,0,1,0,1|1,0,0]=3 6458 B10R1.61 CC(=O)C1CCCNC1=O 1458a_100000087122_200000210301 [0,0,0,1,0,1|1,0,0]=3 6459 B10R1.61 CC(=O)C1COCCC1=O 1458a_100000070787_100012180262 [0,0,0,1,0,1|1,0,0]=3 6460 B10R1.61 CC(=O)N1CCCCC1C 11a_100000211376_100015343762 [0,0,0,1,0,1|1,0,1]=4 6461 B10R1.61 CC(=O)N1CCCCC1C 1626a_100000211376_100015343762 [0,0,0,1,0,1|1,0,1]=4 6462 B10R1.61 CC(=O)N1CCCCC1C 240690a_100000211376_100015343762 [0,0,0,1,0,1|1,0,1]=4 6463 B10R1.61 CC(=O)N1CCCCC1C 527a_100000211376_100103153847 [0,0,0,1,0,1|1,0,1]=4 6464 B10R1.61 CC(=O)[C@H]1CCCCN1C 1458a_100000767060_200000210301 [0,0,0,1,0,1|2,0,0]=4 6465 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,0,1|1,0,1]=4 6466 B10R1.61 CN(C)C1CCCCC1=O 269982a_100102631434_100000204591 [0,0,0,1,0,1|2,0,0]=4 6467 B10R1.61 CN1CCCC[C@@H]1C(=O)[13CH3] 1458a_100000767060_200025704644 [0,0,0,1,0,1|2,0,0]=4 6468 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,0,1|0,0,2]=4 6469 B10R1.61 [13CH3]C(=O)C1CCCNC1=O 1458a_100000087122_200025704644 [0,0,0,1,0,1|1,0,0]=3 6470 B10R1.110 C=C(C)CC(=O)C1CC1C 1458a_100000211227_100000748629 [0,0,0,1,0,1|1,0,0]=3 6471 B10R1.110 C=C(C)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000748629 [0,0,0,1,0,1|2,0,0]=4 6472 B10R1.110 C=C(F)CC(=O)C1CC1C 1458a_100000211227_100009893438 [0,0,0,1,0,1|1,0,1]=4 6473 B10R1.110 CC(C)CC(=O)C1CC1C 1458a_100000211227_100000210624 [0,0,0,1,0,1|1,0,1]=4 6474 B10R1.110 CC(C)NC(=O)C1CC1C 11a_100138425928_100000211227 [0,0,0,1,0,1|1,0,1]=4 6475 B10R1.110 CC(C)NC(=O)C1CC1C 1626a_100138425928_100000211227 [0,0,0,1,0,1|1,0,1]=4 6476 B10R1.110 CC(C)NC(=O)C1CC1C 527a_100138425928_100000211227 [0,0,0,1,0,1|1,0,1]=4 6477 B10R1.110 CC(O)CC(=O)C1CC1C 1458a_100000211227_100011218427 [0,0,0,1,0,1|0,0,2]=4 6478 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,1|1,0,0]=3 6479 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,1|1,0,0]=3 6480 B10R1.110 CC1CC1C(=O)C[N+](=O)[O-] 1458a_100000211227_100000761209 [0,0,0,1,0,1|2,0,0]=4 6481 B10R1.110 NC(=O)CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000187820 [0,0,0,1,0,1|2,0,0]=4 6482 B10R1.110 O=C([O-])CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100020667443 [0,0,0,1,0,1|2,0,0]=4 6483 B10R1.130 CCNC1CC(=O)NC1=O 2230a_100102712934_100000210202 [0,0,0,1,0,1|1,0,0]=3 6484 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000210183_100000742324 [0,0,0,1,0,1|1,0,1]=4 6485 B10R1.180 CCCCC(=O)CC1CC1 1458a_100000738066_100000210211 [0,0,0,1,0,1|1,0,1]=4 6486 B10R1.180 CCCCC(=O)CC1CO1 1458a_100000210183_100011216344 [0,0,0,1,0,1|0,0,2]=4 6487 B10R1.180 CCCCC(=O)CC1CS1 1458a_100000210183_100000031435 [0,0,0,1,0,1|0,1,1]=4 6488 B10R1.180 CCCCC(=O)C[C@@H]1CO1 1458a_100000210183_100000745022 [0,0,0,1,0,1|0,0,2]=4 6489 B10R1.180 CCCCC(=O)NC1CC1 1626a_100000212008_100000210183 [0,0,0,1,0,1|1,0,1]=4 6490 B10R1.180 CCCCC(=O)NC1CC1 240690a_100000212008_100000210183 [0,0,0,1,0,1|1,0,1]=4 6491 B10R1.180 CCCCC(=O)NC1CC1 527a_100000212008_100000210183 [0,0,0,1,0,1|1,0,1]=4 6492 B10R1.192 CC(=O)N1C(CCC1C)C 11a_100000687148_100015343762 [0,0,0,1,0,1|1,0,1]=4 6493 B10R1.192 CC(=O)N1C(CCC1C)C 240690a_100000687148_100015343762 [0,0,0,1,0,1|1,0,1]=4 6494 B10R1.192 CC(=O)N1C(CCC1C)C 527a_100000687148_100103153847 [0,0,0,1,0,1|1,0,1]=4 6495 B10R1.266 C=C(C)CC(=O)C1CCC1 1458a_100000209988_100000748629 [0,0,0,1,0,1|1,0,0]=3 6496 B10R1.266 C=C(C)CC(=O)C1CCO1 1458a_100000089072_100000748629 [0,0,0,1,0,1|2,0,0]=4 6497 B10R1.266 C=C(C)CC(=O)C1COC1 1458a_100000758290_100000748629 [0,0,0,1,0,1|2,0,0]=4 6498 B10R1.266 C=C(F)CC(=O)C1CCC1 1458a_100000209988_100009893438 [0,0,0,1,0,1|1,0,1]=4 6499 B10R1.266 CC(=CC(=O)C1CCC1)C 1458a_100000211388_100000749161 [0,0,0,1,0,1|1,0,0]=3 6500 B10R1.266 CC(=CC(=O)C1CCC1)Cl 1458a_200042562850_100000749161 [0,0,0,1,0,1|1,0,0]=3 6501 B10R1.266 CC(=CC(=O)C1CCC1)I 1458a_100025716642_100000749161 [0,0,0,1,0,1|1,0,0]=3 6502 B10R1.266 CC(=CC(=O)C1COC1)C 1458a_100000211388_100000687716 [0,0,0,1,0,1|2,0,0]=4 6503 B10R1.266 CC(=CC(=O)C1COC1)Cl 1458a_200042562850_100000687716 [0,0,0,1,0,1|2,0,0]=4 6504 B10R1.266 CC(=CC(=O)C1COC1)I 1458a_100025716642_100000687716 [0,0,0,1,0,1|2,0,0]=4 6505 B10R1.266 CC(=CC(=O)N1CCC1)C 11a_100000754969_100000211388 [0,0,0,1,0,1|2,0,0]=4 6506 B10R1.266 CC(=CC(=O)N1CCC1)C 240690a_100000754969_100000211388 [0,0,0,1,0,1|2,0,0]=4 6507 B10R1.266 CC(=CC(=O)N1CCC1)Cl 11a_100000754969_200042562850 [0,0,0,1,0,1|2,0,0]=4 6508 B10R1.266 CC(=CC(=O)N1CCC1)Cl 240690a_100000754969_200042562850 [0,0,0,1,0,1|2,0,0]=4 6509 B10R1.266 CC(=CC(=O)N1CCC1)I 11a_100000754969_100025716642 [0,0,0,1,0,1|2,0,0]=4 6510 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,0,0,1,0,1|0,0,0]=2 6511 B10R1.266 CC(=O)CC(=O)N1CCC1 1458a_100000070787_100000185095 [0,0,0,1,0,1|1,0,0]=3 6512 B10R1.266 CC(=O)NC(C)C1CCC1 11a_100016994624_100015343762 [0,0,0,1,0,1|1,0,1]=4 6513 B10R1.266 CC(=O)NC(C)C1CCC1 1626a_100016994624_100015343762 [0,0,0,1,0,1|1,0,1]=4 6514 B10R1.266 CC(=O)NC(C)C1CCC1 240690a_100016994624_100015343762 [0,0,0,1,0,1|1,0,1]=4 6515 B10R1.266 CC(=O)NC(C)C1CCC1 527a_100016994624_100103153847 [0,0,0,1,0,1|1,0,1]=4 6516 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000209988_100000210624 [0,0,0,1,0,1|1,0,1]=4 6517 B10R1.266 CC(C)CC(=O)C1CCC1 1458a_100000210554_100000749161 [0,0,0,1,0,1|1,0,1]=4 6518 B10R1.266 CC(C)NC(=O)C1CCC1 11a_100138425928_100000209988 [0,0,0,1,0,1|1,0,1]=4 6519 B10R1.266 CC(C)NC(=O)C1CCC1 1626a_100138425928_100000209988 [0,0,0,1,0,1|1,0,1]=4 6520 B10R1.266 CC(C)NC(=O)C1CCC1 240690a_100138425928_100000209988 [0,0,0,1,0,1|1,0,1]=4 6521 B10R1.266 CC(C)NC(=O)C1CCC1 527a_100138425928_100000209988 [0,0,0,1,0,1|1,0,1]=4 6522 B10R1.266 CC(O)CC(=O)C1CCC1 1458a_100000209988_100011218427 [0,0,0,1,0,1|0,0,2]=4 6523 B10R1.266 CN(C)CC(=O)C1CCC1 1458a_100000750896_100000749161 [0,0,0,1,0,1|2,0,0]=4 6524 B10R1.266 CN(C)CC(=O)C1CCC1 2230a_100102631434_100000686122 [0,0,0,1,0,1|2,0,0]=4 6525 B10R1.266 CN(C)CC(=O)C1CCC1 269982a_100102631434_100000686122 [0,0,0,1,0,1|2,0,0]=4 6526 B10R1.266 C[C@@H](O)CC(=O)C1CCC1 1458a_100011933948_100000749161 [0,0,0,1,0,1|0,0,2]=4 6527 B10R1.266 C[S+](C)CC(=O)C1CCC1 1458a_200159257847_100000749161 [0,0,0,1,0,1|2,0,0]=4 6528 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,0,0,1,0,1|1,0,0]=3 6529 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,0,0,1,0,1|1,0,0]=3 6530 B10R1.266 NC(=O)CC(=O)C1CCO1 1458a_100000089072_100000187820 [0,0,0,1,0,1|2,0,0]=4 6531 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100000758290_100000187820 [0,0,0,1,0,1|2,0,0]=4 6532 B10R1.266 NC(=O)CC(=O)C1COC1 1458a_100134613110_100000687716 [0,0,0,1,0,1|2,0,0]=4 6533 B10R1.266 NC(=O)CC(=O)N1CCC1 240690a_100000754969_100134613110 [0,0,0,1,0,1|2,0,0]=4 6534 B10R1.266 NC(=O)CC(=O)N1CCC1 527a_100000754969_100134613110 [0,0,0,1,0,1|2,0,0]=4 6535 B10R1.266 O=C(C=C(Cl)Cl)C1CCC1 1458a_100000137448_100000749161 [0,0,0,1,0,1|2,0,0]=4 6536 B10R1.266 O=C(C[N+](=O)[O-])C1CCC1 1458a_100000209988_100000761209 [0,0,0,1,0,1|2,0,0]=4 6537 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,0,0,1,0,1|1,0,0]=3 6538 B10R1.266 O=C([O-])CC(=O)C1CCO1 1458a_100000089072_100020667443 [0,0,0,1,0,1|2,0,0]=4 6539 B10R1.266 O=C([O-])CC(=O)C1COC1 1458a_100000758290_100020667443 [0,0,0,1,0,1|2,0,0]=4 6540 B10R1.268 C=C(C)CC(=O)CC1CC1 1458a_100000738066_100000748629 [0,0,0,1,0,1|1,0,0]=3 6541 B10R1.268 C=C(F)CC(=O)CC1CC1 1458a_100000738066_100009893438 [0,0,0,1,0,1|1,0,1]=4 6542 B10R1.268 CC(=CC(=O)CC1CC1)C 1458a_100000211388_100000742324 [0,0,0,1,0,1|1,0,0]=3 6543 B10R1.268 CC(=CC(=O)CC1CC1)Cl 1458a_200042562850_100000742324 [0,0,0,1,0,1|1,0,0]=3 6544 B10R1.268 CC(=CC(=O)CC1CC1)I 1458a_100025716642_100000742324 [0,0,0,1,0,1|1,0,0]=3 6545 B10R1.268 CC(=CC(=O)CC1CO1)C 1458a_100000211388_100011216344 [0,0,0,1,0,1|2,0,0]=4 6546 B10R1.268 CC(=CC(=O)CC1CO1)Cl 1458a_200042562850_100011216344 [0,0,0,1,0,1|2,0,0]=4 6547 B10R1.268 CC(=CC(=O)CC1CO1)I 1458a_100025716642_100011216344 [0,0,0,1,0,1|2,0,0]=4 6548 B10R1.268 CC(=CC(=O)CC1CS1)C 1458a_100000211388_100000031435 [0,0,0,1,0,1|2,0,0]=4 6549 B10R1.268 CC(=CC(=O)CC1CS1)Cl 1458a_200042562850_100000031435 [0,0,0,1,0,1|2,0,0]=4 6550 B10R1.268 CC(=CC(=O)CC1CS1)I 1458a_100025716642_100000031435 [0,0,0,1,0,1|2,0,0]=4 6551 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)C 1458a_100000211388_100000745022 [0,0,0,1,0,1|2,0,0]=4 6552 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)Cl 1458a_200042562850_100000745022 [0,0,0,1,0,1|2,0,0]=4 6553 B10R1.268 CC(=CC(=O)C[C@@H]1CO1)I 1458a_100025716642_100000745022 [0,0,0,1,0,1|2,0,0]=4 6554 B10R1.268 CC(=CC(=O)NC1CC1)C 1626a_100000212008_100000211388 [0,0,0,1,0,1|2,0,0]=4 6555 B10R1.268 CC(=CC(=O)NC1CC1)C 240690a_100000212008_100000211388 [0,0,0,1,0,1|2,0,0]=4 6556 B10R1.268 CC(=CC(=O)NC1CC1)Cl 1626a_100000212008_200042562850 [0,0,0,1,0,1|2,0,0]=4 6557 B10R1.268 CC(=CC(=O)NC1CC1)Cl 240690a_100000212008_200042562850 [0,0,0,1,0,1|2,0,0]=4 6558 B10R1.268 CC(=CC(=O)NC1CC1)I 1626a_100000212008_100025716642 [0,0,0,1,0,1|2,0,0]=4 6559 B10R1.268 CC(=O)CC(=O)NC1CC1 1458a_100000070787_100000182950 [0,0,0,1,0,1|1,0,0]=3 6560 B10R1.268 CC(=O)CS(=O)CC1CC1 1458a_100011387478_200000210301 [0,0,0,1,0,1|1,0,0]=3 6561 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000210554_100000742324 [0,0,0,1,0,1|1,0,1]=4 6562 B10R1.268 CC(C)CC(=O)CC1CC1 1458a_100000738066_100000210624 [0,0,0,1,0,1|1,0,1]=4 6563 B10R1.268 CC(C)NC(=O)CC1CC1 11a_100138425928_100000738066 [0,0,0,1,0,1|1,0,1]=4 6564 B10R1.268 CC(C)NC(=O)CC1CC1 1626a_100138425928_100000738066 [0,0,0,1,0,1|1,0,1]=4 6565 B10R1.268 CC(C)NC(=O)CC1CC1 240690a_100138425928_100000738066 [0,0,0,1,0,1|1,0,1]=4 6566 B10R1.268 CC(C)NC(=O)CC1CC1 527a_100138425928_100000738066 [0,0,0,1,0,1|1,0,1]=4 6567 B10R1.268 CC(O)CC(=O)CC1CC1 1458a_100000738066_100011218427 [0,0,0,1,0,1|0,0,2]=4 6568 B10R1.268 CN(C)CC(=O)CC1CC1 1458a_100000750896_100000742324 [0,0,0,1,0,1|2,0,0]=4 6569 B10R1.268 C[C@@H](O)CC(=O)CC1CC1 1458a_100011933948_100000742324 [0,0,0,1,0,1|0,0,2]=4 6570 B10R1.268 C[S+](C)CC(=O)CC1CC1 1458a_200159257847_100000742324 [0,0,0,1,0,1|2,0,0]=4 6571 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,0,0,1,0,1|1,0,0]=3 6572 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,0,0,1,0,1|1,0,0]=3 6573 B10R1.268 NC(=O)CC(=O)CC1CO1 1458a_100134613110_100011216344 [0,0,0,1,0,1|2,0,0]=4 6574 B10R1.268 NC(=O)CC(=O)CC1CS1 1458a_100134613110_100000031435 [0,0,0,1,0,1|2,0,0]=4 6575 B10R1.268 NC(=O)CC(=O)C[C@@H]1CO1 1458a_100134613110_100000745022 [0,0,0,1,0,1|2,0,0]=4 6576 B10R1.268 NC(=O)CC(=O)NC1CC1 240690a_100000212008_100134613110 [0,0,0,1,0,1|2,0,0]=4 6577 B10R1.268 NC(=O)CC(=O)NC1CC1 527a_100000212008_100134613110 [0,0,0,1,0,1|2,0,0]=4 6578 B10R1.268 O=C(C=C(Cl)Cl)CC1CC1 1458a_100000137448_100000742324 [0,0,0,1,0,1|2,0,0]=4 6579 B10R1.268 O=C(CC1CC1)C[N+](=O)[O-] 1458a_100000738066_100000761209 [0,0,0,1,0,1|2,0,0]=4 6580 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,0,0,1,0,1|1,0,0]=3 6581 B10R1.268 [13CH3]C(=O)CS(=O)CC1CC1 1458a_100011387478_200025704644 [0,0,0,1,0,1|1,0,0]=3 6582 B10R1.293 CCCCC(=O)C1CC1C 1458a_100000211227_100000210211 [0,0,0,1,0,1|1,0,1]=4 6583 B10R1.293 CCCCC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100000210211 [0,0,0,1,0,1|1,0,1]=4 6584 B10R1.179 CCCCC(=O)C1(CC1)C 1458a_100000756474_100000210211 [0,1,0,1,0,0|1,0,1]=4 6585 B10R1.179 CCCCC(=O)C1(CC1)F 1458a_100000055089_100000210211 [0,1,0,1,0,0|1,0,1]=4 6586 B10R1.179 CCCCC(=O)C1(CC1)O 1458a_100000241761_100000210211 [0,1,0,1,0,0|0,0,2]=4 6587 B10R1.274 CC(C)(C)C(=O)C1CCC1 1458a_106744555173_100000749161 [0,1,0,1,0,0|1,0,1]=4 6588 B10R1.274 CC(C)(F)C(=O)C1CCC1 1458a_100000765255_100000749161 [0,1,0,1,0,0|1,0,1]=4 6589 B10R1.274 CC(C)(O)C(=O)C1CCC1 1458a_100000242741_100000749161 [0,1,0,1,0,0|0,0,2]=4 6590 B10R1.372 CC(C)(C)C(=O)CC1CC1 1458a_106744555173_100000742324 [0,1,0,1,0,0|1,0,1]=4 6591 B10R1.372 CC(C)(F)C(=O)CC1CC1 1458a_100000765255_100000742324 [0,1,0,1,0,0|1,0,1]=4 6592 B10R1.372 CC(C)(O)C(=O)CC1CC1 1458a_100000242741_100000742324 [0,1,0,1,0,0|0,0,2]=4 6593 B10R1.23 C=C(C)C(=O)C1CCCC1 1458a_100000185857_100000179811 [0,1,0,1,0,0|1,0,0]=3 6594 B10R1.23 C=C(C)C(=O)C1CCOC1 1458a_100000185857_100000690089 [0,1,0,1,0,0|1,0,0]=3 6595 B10R1.23 C=C(C)C(=O)N1CCSC1 11a_100011215254_100000185857 [0,1,0,1,0,0|2,0,0]=4 6596 B10R1.23 CC(=O)C(C)N1CCCC1 1458a_100025750167_200000210301 [0,1,0,1,0,0|1,0,1]=4 6597 B10R1.23 CC(=O)C(C)N1CCCC1 2230a_100000188435_100009814033 [0,1,0,1,0,0|1,0,1]=4 6598 B10R1.23 CC(=O)C(C)N1CCCC1 269982a_100000188435_100009814033 [0,1,0,1,0,0|1,0,1]=4 6599 B10R1.23 CC(=O)N(C)C1CCCC1 11a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6600 B10R1.23 CC(=O)N(C)C1CCCC1 1626a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6601 B10R1.23 CC(=O)N(C)C1CCCC1 240690a_100000207505_100015343762 [0,1,0,1,0,0|2,0,0]=4 6602 B10R1.23 CC(=O)N(C)C1CCCC1 527a_100000207505_100103153847 [0,1,0,1,0,0|2,0,0]=4 6603 B10R1.23 CC(=O)N(C)C1CCOC1 11a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 6604 B10R1.23 CC(=O)N(C)C1CCOC1 1626a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 6605 B10R1.23 CC(=O)N(C)C1CCOC1 240690a_100016988252_100015343762 [0,1,0,1,0,0|2,0,0]=4 6606 B10R1.23 CC(=O)N(C)C1CCOC1 527a_100016988252_100103153847 [0,1,0,1,0,0|2,0,0]=4 6607 B10R1.23 CC(C(=O)[13CH3])N1CCCC1 1458a_100025750167_200025704644 [0,1,0,1,0,0|1,0,1]=4 6608 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210198_100000179811 [0,1,0,1,0,0|1,0,1]=4 6609 B10R1.23 CC(C)C(=O)C1CCCC1 1458a_100000210718_100000210206 [0,1,0,1,0,0|1,0,1]=4 6610 B10R1.23 CC(C)C(=O)C1CCCS1 1458a_100012002731_100000210206 [0,1,0,1,0,0|1,0,1]=4 6611 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100000210198_100000690089 [0,1,0,1,0,0|1,0,1]=4 6612 B10R1.23 CC(C)C(=O)C1CCOC1 1458a_100011219752_100000210206 [0,1,0,1,0,0|1,0,1]=4 6613 B10R1.23 CC(C)C(=O)N1CCCC1 240690a_100000188435_100000210198 [0,1,0,1,0,0|1,0,1]=4 6614 B10R1.23 CC(C)C(=O)N1CCCC1 527a_100000188435_100000210198 [0,1,0,1,0,0|1,0,1]=4 6615 B10R1.23 CC(C)C(=O)[C@@H]1CCCO1 1458a_100000686382_100000210206 [0,1,0,1,0,0|1,0,1]=4 6616 B10R1.23 CC(F)C(=O)C1CCCC1 1458a_100000062450_100000179811 [0,1,0,1,0,0|1,0,1]=4 6617 B10R1.23 CC(F)C(=O)C1CCOC1 1458a_100000062450_100000690089 [0,1,0,1,0,0|1,0,1]=4 6618 B10R1.23 CC(F)C(=O)N1CCCC1 240690a_100000188435_100000062450 [0,1,0,1,0,0|1,0,1]=4 6619 B10R1.23 CC(F)C(=O)N1CCCC1 527a_100000188435_100000062450 [0,1,0,1,0,0|1,0,1]=4 6620 B10R1.23 CN(C)C(=O)C1CCCC1 11a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 6621 B10R1.23 CN(C)C(=O)C1CCCC1 1626a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 6622 B10R1.23 CN(C)C(=O)C1CCCC1 240690a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 6623 B10R1.23 CN(C)C(=O)C1CCCC1 527a_100102631434_100000210718 [0,1,0,1,0,0|2,0,0]=4 6624 B10R1.23 CN(C)C(=O)C1CCCS1 11a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 6625 B10R1.23 CN(C)C(=O)C1CCCS1 1626a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 6626 B10R1.23 CN(C)C(=O)C1CCCS1 240690a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 6627 B10R1.23 CN(C)C(=O)C1CCCS1 527a_100102631434_100012002731 [0,1,0,1,0,0|2,0,0]=4 6628 B10R1.23 CN(C)C(=O)C1CCOC1 11a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 6629 B10R1.23 CN(C)C(=O)C1CCOC1 1626a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 6630 B10R1.23 CN(C)C(=O)C1CCOC1 240690a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 6631 B10R1.23 CN(C)C(=O)C1CCOC1 527a_100102631434_100011219752 [0,1,0,1,0,0|2,0,0]=4 6632 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 11a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 6633 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 1626a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 6634 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 240690a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 6635 B10R1.23 CN(C)C(=O)[C@@H]1CCCO1 527a_100102631434_100000686382 [0,1,0,1,0,0|2,0,0]=4 6636 B10R1.23 C[C@@H](O)C(=O)C1CCCC1 1458a_100000717761_100000179811 [0,1,0,1,0,0|0,0,2]=4 6637 B10R1.23 C[C@@H](O)C(=O)C1CCOC1 1458a_100000717761_100000690089 [0,1,0,1,0,0|0,0,2]=4 6638 B10R1.23 C[C@@H](O)C(=O)N1CCCC1 240690a_100000188435_100000717761 [0,1,0,1,0,0|0,0,2]=4 6639 B10R1.23 C[C@H](O)C(=O)C1CCCC1 1458a_217856618621_100000179811 [0,1,0,1,0,0|0,0,2]=4 6640 B10R1.23 C[C@H](O)C(=O)C1CCOC1 1458a_217856618621_100000690089 [0,1,0,1,0,0|0,0,2]=4 6641 B10R1.23 C[C@H](O)C(=O)N1CCCC1 240690a_100000188435_217856618621 [0,1,0,1,0,0|0,0,2]=4 6642 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|1,0,0]=3 6643 B10R1.23 NC(=O)C(=O)N1CCSC1 240690a_100011215254_100011215815 [0,1,0,1,0,0|2,0,0]=4 6644 B10R1.34 CN1C(=O)C[C@@H](C1=O)O[13CH3] 34a_200015776404_200025704644 [0,1,0,1,0,0|2,0,0]=4 6645 B10R1.34 CO[C@H]1CC(=O)N(C1=O)C 34a_200015776404_200000210301 [0,1,0,1,0,0|2,0,0]=4 6646 B10R1.81 C=C(C)C(=O)N1CC(C1)C 11a_100000702820_100000185857 [0,1,0,1,0,0|2,0,0]=4 6647 B10R1.81 C=C(C)C(=O)N1CC(C1)F 11a_100000690557_100000185857 [0,1,0,1,0,0|2,0,0]=4 6648 B10R1.81 C=C(C)C(=O)N1CC(C1)O 11a_100000749847_100000185857 [0,1,0,1,0,0|2,0,0]=4 6649 B10R1.81 CC(C)C(=O)C1CC(C1)F 1458a_100000062598_100000210206 [0,1,0,1,0,0|1,0,1]=4 6650 B10R1.81 CC(C)C(=O)[C@H]1C[C@H](C1)O 1458a_100015266633_100000210206 [0,1,0,1,0,0|1,0,1]=4 6651 B10R1.81 CC1CC(C1)C(=O)C(C)C 1458a_100000686124_100000210206 [0,1,0,1,0,0|1,0,1]=4 6652 B10R1.81 CC1CC(C1)C(=O)N(C)C 11a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 6653 B10R1.81 CC1CC(C1)C(=O)N(C)C 1626a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 6654 B10R1.81 CC1CC(C1)C(=O)N(C)C 240690a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 6655 B10R1.81 CC1CC(C1)C(=O)N(C)C 527a_100102631434_100000686124 [0,1,0,1,0,0|2,0,0]=4 6656 B10R1.81 CC1CN(C1)C(=O)C(=O)N 240690a_100000702820_100011215815 [0,1,0,1,0,0|2,0,0]=4 6657 B10R1.81 CN(C)C(=O)C1CC(C1)F 11a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 6658 B10R1.81 CN(C)C(=O)C1CC(C1)F 1626a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 6659 B10R1.81 CN(C)C(=O)C1CC(C1)F 240690a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 6660 B10R1.81 CN(C)C(=O)C1CC(C1)F 527a_100102631434_100000062598 [0,1,0,1,0,0|2,0,0]=4 6661 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 240690a_100102631434_100015266633 [0,1,0,1,0,0|2,0,0]=4 6662 B10R1.81 CN(C)C(=O)[C@H]1C[C@H](C1)O 527a_100102631434_100015266633 [0,1,0,1,0,0|2,0,0]=4 6663 B10R1.81 NC(=O)C(=O)N1CC(C1)F 240690a_100000690557_100011215815 [0,1,0,1,0,0|2,0,0]=4 6664 B10R1.81 NC(=O)C(=O)N1CC(C1)O 240690a_100000749847_100011215815 [0,1,0,1,0,0|2,0,0]=4 6665 B10R1.155 CCC1CC1C(=O)C(C)C 1458a_200011661523_100000210206 [0,1,0,1,0,0|1,0,1]=4 6666 B10R1.155 CCC1CC1C(=O)N(C)C 11a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 6667 B10R1.155 CCC1CC1C(=O)N(C)C 1626a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 6668 B10R1.155 CCC1CC1C(=O)N(C)C 240690a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 6669 B10R1.155 CCC1CC1C(=O)N(C)C 527a_100102631434_200011661523 [0,1,0,1,0,0|2,0,0]=4 6670 B10R1.212 CCCC(C)C(=O)C1CC1 1458a_100000210395_100000766640 [0,1,0,1,0,0|1,0,1]=4 6671 B10R1.212 CCCC(C)C(=O)C1CO1 1458a_100000701028_100000766640 [0,1,0,1,0,0|0,0,2]=4 6672 B10R1.278 C=C(C)C(=O)N(C)C1CC1 11a_100000226674_100000185857 [0,1,0,1,0,0|2,0,0]=4 6673 B10R1.278 C=C(C)C(=O)N(C)C1CC1 1626a_100000226674_100000185857 [0,1,0,1,0,0|2,0,0]=4 6674 B10R1.278 CN(C(=O)C(=O)N)C1CC1 240690a_100000226674_100011215815 [0,1,0,1,0,0|2,0,0]=4 6675 B10R1.495 CC(C)C(=O)C1(CCC1)C 1458a_100000684636_100000210206 [0,1,0,1,0,0|1,0,1]=4 6676 B10R1.495 CC(C)C(=O)C1(CCC1)O 1458a_100000242746_100000210206 [0,1,0,1,0,0|1,0,1]=4 6677 B10R1.495 CN(C)C(=O)C1(CCC1)C 11a_100102631434_100000684636 [0,1,0,1,0,0|2,0,0]=4 6678 B10R1.495 CN(C)C(=O)C1(CCC1)C 1626a_100102631434_100000684636 [0,1,0,1,0,0|2,0,0]=4 6679 B10R1.495 CN(C)C(=O)C1(CCC1)C 240690a_100102631434_100000684636 [0,1,0,1,0,0|2,0,0]=4 6680 B10R1.495 CN(C)C(=O)C1(CCC1)C 527a_100102631434_100000684636 [0,1,0,1,0,0|2,0,0]=4 6681 B10R1.495 CN(C)C(=O)C1(CCC1)O 240690a_100102631434_100000242746 [0,1,0,1,0,0|2,0,0]=4 6682 B10R1.13 CC(=O)C1CCC(CC1)C 1458a_100000070787_200011216234 [0,1,0,1,0,0|1,0,1]=4 6683 B10R1.13 CC(=O)C1CCC(CC1)O 1458a_100000743365_200000210301 [0,1,0,1,0,0|1,0,1]=4 6684 B10R1.13 CC(=O)N1CCC(CC1)C 240690a_100000188429_100015343762 [0,1,0,1,0,0|2,0,0]=4 6685 B10R1.13 CC(=O)N1CCC(CC1)C 527a_100000188429_100103153847 [0,1,0,1,0,0|2,0,0]=4 6686 B10R1.13 CC(=O)N1CCC(CC1)F 11a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6687 B10R1.13 CC(=O)N1CCC(CC1)F 1626a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6688 B10R1.13 CC(=O)N1CCC(CC1)F 240690a_100015193889_100015343762 [0,1,0,1,0,0|2,0,0]=4 6689 B10R1.13 CC(=O)N1CCC(CC1)F 527a_100015193889_100103153847 [0,1,0,1,0,0|2,0,0]=4 6690 B10R1.13 CC(=O)N1CCC(CC1)O 240690a_100025773856_100015343762 [0,1,0,1,0,0|2,0,0]=4 6691 B10R1.13 CC(=O)N1CCC(CC1)O 527a_100025773856_100103153847 [0,1,0,1,0,0|2,0,0]=4 6692 B10R1.13 CC(=O)[C@H]1CC[C@@H](CC1)C 1458a_100009815934_200000210301 [0,1,0,1,0,0|1,0,1]=4 6693 B10R1.13 C[C@H]1CC[C@@H](CC1)C(=O)[13CH3] 1458a_100009815934_200025704644 [0,1,0,1,0,0|1,0,1]=4 6694 B10R1.13 [13CH3]C(=O)C1CCC(CC1)O 1458a_100000743365_200025704644 [0,1,0,1,0,0|1,0,1]=4 6695 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 6696 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,1,0,1,0,0|2,0,0]=4 6697 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,1,0,1,0,0|2,0,0]=4 6698 B10R1.190 C=C(C)C(=O)N[C@@H]1C[C@H]1F 11a_100025746932_100000185857 [0,1,0,1,0,0|2,0,0]=4 6699 B10R1.190 C=C(C)C(=O)N[C@@H]1C[C@H]1F 1626a_100025746932_100000185857 [0,1,0,1,0,0|2,0,0]=4 6700 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@@H]1F 240690a_100015190264_100011215815 [0,1,0,1,0,0|2,0,0]=4 6701 B10R1.190 NC(=O)C(=O)N[C@@H]1C[C@H]1F 240690a_100025746932_100011215815 [0,1,0,1,0,0|2,0,0]=4 6702 B10R1.205 C=C(Br)C(=O)NCC1CC1 11a_100000735609_100009813364 [0,1,0,1,0,0|1,0,1]=4 6703 B10R1.205 C=C(Br)C(=O)NCC1CC1 1626a_100000735609_100009813364 [0,1,0,1,0,0|1,0,1]=4 6704 B10R1.205 C=C(C)C(=O)CCC1CC1 1458a_100000185857_100000694398 [0,1,0,1,0,0|1,0,0]=3 6705 B10R1.205 C=C(C)C(=O)CCC1CO1 1458a_100000185857_100000732470 [0,1,0,1,0,0|1,0,0]=3 6706 B10R1.205 C=C(C)C(=O)NCC1CC1 11a_100000735609_100000185857 [0,1,0,1,0,0|1,0,0]=3 6707 B10R1.205 C=C(C)C(=O)NCC1CC1 1626a_100000735609_100000185857 [0,1,0,1,0,0|1,0,0]=3 6708 B10R1.205 C=C(C)C(=O)NNC1CC1 22a_100000701032_100000185857 [0,1,0,1,0,0|2,0,0]=4 6709 B10R1.205 C=C(Cl)C(=O)NCC1CC1 11a_100000735609_100000039160 [0,1,0,1,0,0|1,0,1]=4 6710 B10R1.205 C=C(Cl)C(=O)NCC1CC1 1626a_100000735609_100000039160 [0,1,0,1,0,0|1,0,1]=4 6711 B10R1.205 C=C(F)C(=O)NCC1CC1 11a_100000735609_100000036797 [0,1,0,1,0,0|1,0,1]=4 6712 B10R1.205 C=C(F)C(=O)NCC1CC1 1626a_100000735609_100000036797 [0,1,0,1,0,0|1,0,1]=4 6713 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|0,0,0]=2 6714 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|0,0,0]=2 6715 B10R1.205 CC(=O)C(C)COC1CC1 34a_100000032740_100000211595 [0,1,0,1,0,0|1,0,1]=4 6716 B10R1.205 CC(=O)C(C)NCC1CC1 2230a_100000735609_100009814033 [0,1,0,1,0,0|1,0,1]=4 6717 B10R1.205 CC(=O)C(C)OCC1CC1 34a_100000212229_100000742324 [0,1,0,1,0,0|1,0,1]=4 6718 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100000756562_100009814033 [0,1,0,1,0,0|1,0,1]=4 6719 B10R1.205 CC(=O)C(C)SCC1CC1 62a_100009814033_100000742324 [0,1,0,1,0,0|1,0,1]=4 6720 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000210198_100000694398 [0,1,0,1,0,0|1,0,1]=4 6721 B10R1.205 CC(C)C(=O)CCC1CC1 1458a_100000756386_100000210206 [0,1,0,1,0,0|1,0,1]=4 6722 B10R1.205 CC(C)C(=O)CCC1CO1 1458a_100000210198_100000732470 [0,1,0,1,0,0|1,0,1]=4 6723 B10R1.205 CC(C)C(=O)CNC1CC1 34a_100000212008_100000753385 [0,1,0,1,0,0|1,0,1]=4 6724 B10R1.205 CC(C)C(=O)CSC1CC1 62a_100000753385_100000211595 [0,1,0,1,0,0|1,0,1]=4 6725 B10R1.205 CC(C)C(=O)NCC1CC1 11a_100000735609_100000210198 [0,1,0,1,0,0|1,0,1]=4 6726 B10R1.205 CC(C)C(=O)NCC1CC1 1626a_100000735609_100000210198 [0,1,0,1,0,0|1,0,1]=4 6727 B10R1.205 CC(C)C(=O)NCC1CC1 240690a_100000735609_100000210198 [0,1,0,1,0,0|1,0,1]=4 6728 B10R1.205 CC(C)C(=O)NCC1CC1 527a_100000735609_100000210198 [0,1,0,1,0,0|1,0,1]=4 6729 B10R1.205 CC(F)C(=O)CCC1CC1 1458a_100000062450_100000694398 [0,1,0,1,0,0|1,0,1]=4 6730 B10R1.205 CC(F)C(=O)CCC1CO1 1458a_100000062450_100000732470 [0,1,0,1,0,0|1,0,1]=4 6731 B10R1.205 CC(F)C(=O)NCC1CC1 11a_100000735609_100000062450 [0,1,0,1,0,0|1,0,1]=4 6732 B10R1.205 CC(F)C(=O)NCC1CC1 1626a_100000735609_100000062450 [0,1,0,1,0,0|1,0,1]=4 6733 B10R1.205 CC(F)C(=O)NCC1CC1 240690a_100000735609_100000062450 [0,1,0,1,0,0|1,0,1]=4 6734 B10R1.205 CC(F)C(=O)NCC1CC1 527a_100000735609_100000062450 [0,1,0,1,0,0|1,0,1]=4 6735 B10R1.205 CN(C)C(=O)CCC1CC1 11a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 6736 B10R1.205 CN(C)C(=O)CCC1CC1 1626a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 6737 B10R1.205 CN(C)C(=O)CCC1CC1 240690a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 6738 B10R1.205 CN(C)C(=O)CCC1CC1 527a_100102631434_100000756386 [0,1,0,1,0,0|2,0,0]=4 6739 B10R1.205 CN(C)C(=O)CNC1CC1 34a_100000212008_100000692301 [0,1,0,1,0,0|2,0,0]=4 6740 B10R1.205 CN(C)C(=O)CSC1CC1 62a_100000692301_100000211595 [0,1,0,1,0,0|2,0,0]=4 6741 B10R1.205 CN(C)C(=O)NCC1CC1 2708a_100000735609_100102631434 [0,1,0,1,0,0|2,0,0]=4 6742 B10R1.205 C[C@@H](O)C(=O)CCC1CC1 1458a_100000717761_100000694398 [0,1,0,1,0,0|0,0,2]=4 6743 B10R1.205 C[C@@H](O)C(=O)CCC1CO1 1458a_100000717761_100000732470 [0,1,0,1,0,0|0,0,2]=4 6744 B10R1.205 C[C@@H](O)C(=O)NCC1CC1 240690a_100000735609_100000717761 [0,1,0,1,0,0|0,0,2]=4 6745 B10R1.205 C[C@H](O)C(=O)CCC1CC1 1458a_217856618621_100000694398 [0,1,0,1,0,0|0,0,2]=4 6746 B10R1.205 C[C@H](O)C(=O)CCC1CO1 1458a_217856618621_100000732470 [0,1,0,1,0,0|0,0,2]=4 6747 B10R1.205 C[C@H](O)C(=O)NCC1CC1 1626a_100000735609_217856618621 [0,1,0,1,0,0|0,0,2]=4 6748 B10R1.205 C[C@H](O)C(=O)NCC1CC1 240690a_100000735609_217856618621 [0,1,0,1,0,0|0,0,2]=4 6749 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,1,0,1,0,0|1,0,0]=3 6750 B10R1.205 NC(=O)C(=O)NNC1CC1 22a_100000701032_100011215815 [0,1,0,1,0,0|2,0,0]=4 6751 B10R1.211 CC(C)CCC(=O)C1CC1 1458a_100000210395_100000210312 [0,1,0,1,0,0|1,0,1]=4 6752 B10R1.211 CC(C)CCC(=O)C1CO1 1458a_100000701028_100000210312 [0,1,0,1,0,0|0,0,2]=4 6753 B10R1.211 CC(O)CCC(=O)C1CC1 1458a_100000210395_100012276601 [0,1,0,1,0,0|1,0,1]=4 6754 B10R1.211 CC(O)CCC(=O)C1CO1 1458a_100000701028_100012276601 [0,1,0,1,0,0|0,0,2]=4 6755 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6756 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6757 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,1,0,1,0,0|2,0,0]=4 6758 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,1,0,1,0,0|2,0,0]=4 6759 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 6760 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [0,1,0,1,0,0|2,0,0]=4 6761 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [0,1,0,1,0,0|2,0,0]=4 6762 B10R1.494 CC(C)C(=O)[C@H]1CC1(C)C 1458a_100000692687_100000210206 [0,1,0,1,0,0|1,0,1]=4 6763 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 11a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 6764 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 1626a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 6765 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 240690a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 6766 B10R1.494 CN(C)C(=O)[C@H]1CC1(C)C 527a_100102631434_100000692687 [0,1,0,1,0,0|2,0,0]=4 6767 B10R1.14 CCC(=O)N1CC[C@H](C1)C 11a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6768 B10R1.14 CCC(=O)N1CC[C@H](C1)C 240690a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6769 B10R1.14 CCC(=O)N1CC[C@H](C1)C 527a_100016987628_100000210414 [0,1,0,1,0,0|2,0,0]=4 6770 B10R1.14 CNC(=O)N1CC[C@H](C1)C 2708a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 6771 B10R1.14 CNC(=O)N1CC[C@H](C1)C 273464a_100102657272_100016987628 [0,1,0,1,0,0|2,0,0]=4 6772 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 240690a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 6773 B10R1.14 C[C@@H]1CCN(C1)C(=O)CO 527a_100016987628_100000210174 [0,1,0,1,0,0|2,0,0]=4 6774 B10R1.15 CCC(=O)C1=CCCCC1 1458a_100000765259_100000210202 [0,1,0,1,0,0|1,0,0]=3 6775 B10R1.15 CCC(=O)C1=CCCCO1 1458a_100000764163_100000210202 [0,1,0,1,0,0|0,0,2]=4 6776 B10R1.15 CCC(=O)C1=COCCC1 1458a_100000749935_100000210202 [0,1,0,1,0,0|2,0,0]=4 6777 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210414_100000210327 [0,1,0,1,0,0|1,0,1]=4 6778 B10R1.15 CCC(=O)C1CCCCC1 1458a_100000210647_100000210202 [0,1,0,1,0,0|1,0,1]=4 6779 B10R1.15 CCC(=O)C1CCCCO1 1458a_100000748299_100000210202 [0,1,0,1,0,0|0,0,2]=4 6780 B10R1.15 CNC(=O)C1=CCCCC1 11a_106832991635_100000765259 [0,1,0,1,0,0|1,0,0]=3 6781 B10R1.15 CNC(=O)C1=CCCCC1 1626a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 6782 B10R1.15 CNC(=O)C1=CCCCC1 240690a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 6783 B10R1.15 CNC(=O)C1=CCCCC1 527a_100102657272_100000765259 [0,1,0,1,0,0|1,0,0]=3 6784 B10R1.15 CNC(=O)C1=CCCCO1 11a_106832991635_100000764163 [0,1,0,1,0,0|0,0,2]=4 6785 B10R1.15 CNC(=O)C1=CCCCO1 1626a_100102657272_100000764163 [0,1,0,1,0,0|0,0,2]=4 6786 B10R1.15 CNC(=O)C1=CCCCO1 240690a_100102657272_100000764163 [0,1,0,1,0,0|0,0,2]=4 6787 B10R1.15 CNC(=O)C1=CCCCO1 527a_100102657272_100000764163 [0,1,0,1,0,0|0,0,2]=4 6788 B10R1.15 CNC(=O)C1=COCCC1 1626a_100102657272_100000749935 [0,1,0,1,0,0|2,0,0]=4 6789 B10R1.15 CNC(=O)C1=COCCC1 527a_100102657272_100000749935 [0,1,0,1,0,0|2,0,0]=4 6790 B10R1.15 CNC(=O)C1CCCCC1 11a_106832991635_100000210647 [0,1,0,1,0,0|1,0,1]=4 6791 B10R1.15 CNC(=O)C1CCCCC1 1626a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 6792 B10R1.15 CNC(=O)C1CCCCC1 240690a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 6793 B10R1.15 CNC(=O)C1CCCCC1 527a_100102657272_100000210647 [0,1,0,1,0,0|1,0,1]=4 6794 B10R1.15 CNC(=O)C1CCCCO1 11a_106832991635_100000748299 [0,1,0,1,0,0|0,0,2]=4 6795 B10R1.15 CNC(=O)C1CCCCO1 1626a_100102657272_100000748299 [0,1,0,1,0,0|0,0,2]=4 6796 B10R1.15 CNC(=O)C1CCCCO1 240690a_100102657272_100000748299 [0,1,0,1,0,0|0,0,2]=4 6797 B10R1.15 CNC(=O)C1CCCCO1 527a_100102657272_100000748299 [0,1,0,1,0,0|0,0,2]=4 6798 B10R1.15 O=C(CF)C1=CCCCC1 1458a_100000765259_100015361967 [0,1,0,1,0,0|1,0,0]=3 6799 B10R1.15 O=C(CF)C1=CCCCO1 1458a_100000764163_100015361967 [0,1,0,1,0,0|0,0,2]=4 6800 B10R1.15 O=C(CF)C1=COCCC1 1458a_100000749935_100015361967 [0,1,0,1,0,0|2,0,0]=4 6801 B10R1.15 O=C(CF)C1CCCCC1 1458a_100000210647_100015361967 [0,1,0,1,0,0|1,0,1]=4 6802 B10R1.15 O=C(CF)C1CCCCO1 1458a_100000748299_100015361967 [0,1,0,1,0,0|0,0,2]=4 6803 B10R1.15 O=C(CO)C1CCCCC1 1458a_100000210174_100000210327 [0,1,0,1,0,0|1,0,1]=4 6804 B10R1.19 CNC1CCCCCC1=O 7a_106832991635_100000243696 [0,1,0,1,0,0|1,0,1]=4 6805 B10R1.19 CSC1CCCCCC1=O 62a_100000243696_200000210301 [0,1,0,1,0,0|0,1,1]=4 6806 B10R1.19 CSC1CCCCCC1=O 62a_200000210301_100000243696 [0,1,0,1,0,0|0,1,1]=4 6807 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_100000243696_200025704644 [0,1,0,1,0,0|0,1,1]=4 6808 B10R1.19 [13CH3]SC1CCCCCC1=O 62a_200025704644_100000243696 [0,1,0,1,0,0|0,1,1]=4 6809 B10R1.29 CCCCc1c[nH]nc1C 271570a_100020621405_100011912673 [0,1,0,1,0,0|2,0,0]=4 6810 B10R1.29 CCCCc1ccsc1C 271570a_100020621405_100000684487 [0,1,0,1,0,0|1,1,0]=4 6811 B10R1.29 CCCCc1cnoc1C 271570a_100020621405_100009872056 [0,1,0,1,0,0|1,0,1]=4 6812 B10R1.29 CCCCc1cscc1C 271570a_100020621405_100000759966 [0,1,0,1,0,0|1,1,0]=4 6813 B10R1.29 CCCCc1n[nH]cc1C 271570a_100020621405_100009871783 [0,1,0,1,0,0|2,0,0]=4 6814 B10R1.29 CCCCc1nc[nH]c1C 271570a_100020621405_100009816806 [0,1,0,1,0,0|2,0,0]=4 6815 B10R1.29 CCCCc1ncsc1C 271570a_100020621405_100000732656 [0,1,0,1,0,0|1,1,0]=4 6816 B10R1.29 CCCCc1sccc1C 271570a_100020621405_100000742657 [0,1,0,1,0,0|1,1,0]=4 6817 B10R1.29 CCCCc1scnc1C 271570a_100020621405_100009817116 [0,1,0,1,0,0|1,1,0]=4 6818 B10R1.29 CCOCC1=CCCC1=O 34a_100000087531_100000210202 [0,1,0,1,0,0|2,0,0]=4 6819 B10R1.169 CCC(=O)N1CC(C1)CC 11a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 6820 B10R1.169 CCC(=O)N1CC(C1)CC 1626a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 6821 B10R1.169 CCC(=O)N1CC(C1)CC 240690a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 6822 B10R1.169 CCC(=O)N1CC(C1)CC 527a_100015205115_100000210414 [0,1,0,1,0,0|2,0,0]=4 6823 B10R1.169 CCC1CN(C1)C(=O)CO 240690a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 6824 B10R1.169 CCC1CN(C1)C(=O)CO 527a_100015205115_100000210174 [0,1,0,1,0,0|2,0,0]=4 6825 B10R1.169 CCC1CN(C1)C(=O)NC 2708a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 6826 B10R1.169 CCC1CN(C1)C(=O)NC 273464a_100102657272_100015205115 [0,1,0,1,0,0|2,0,0]=4 6827 B10R1.176 CCN1CCN(C(=O)C1)C 2230a_100000187256_100000210202 [0,1,0,1,0,0|2,0,0]=4 6828 B10R1.176 CCN1CCN(C(=O)C1)C 269982a_100000187256_100000204670 [0,1,0,1,0,0|2,0,0]=4 6829 B10R1.176 CN1CC(CCC1=O)N[13CH3] 2230a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 6830 B10R1.176 CN1CC(CCC1=O)N[13CH3] 34a_100011935005_200025704644 [0,1,0,1,0,0|2,0,0]=4 6831 B10R1.176 CN1CCC(CC1=O)N[13CH3] 2230a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6832 B10R1.176 CN1CCC(CC1=O)N[13CH3] 34a_100000126938_200025704644 [0,1,0,1,0,0|2,0,0]=4 6833 B10R1.176 CNC1CCC(=O)N(C1)C 2230a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 6834 B10R1.176 CNC1CCC(=O)N(C1)C 34a_100011935005_200000210301 [0,1,0,1,0,0|2,0,0]=4 6835 B10R1.176 CNC1CCN(C(=O)C1)C 2230a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6836 B10R1.176 CNC1CCN(C(=O)C1)C 34a_100000126938_200000210301 [0,1,0,1,0,0|2,0,0]=4 6837 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000209988_100000210211 [0,1,0,1,0,0|1,0,1]=4 6838 B10R1.178 CCCCC(=O)C1CCC1 1458a_100000210183_100000749161 [0,1,0,1,0,0|1,0,1]=4 6839 B10R1.178 CCCCC(=O)C1CCO1 1458a_100000089072_100000210211 [0,1,0,1,0,0|0,0,2]=4 6840 B10R1.178 CCCCC(=O)C1COC1 1458a_100000210183_100000687716 [0,1,0,1,0,0|0,0,2]=4 6841 B10R1.178 CCCCC(=O)C1COC1 1458a_100000758290_100000210211 [0,1,0,1,0,0|0,0,2]=4 6842 B10R1.178 CCCCC(=O)N1CCC1 11a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6843 B10R1.178 CCCCC(=O)N1CCC1 240690a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6844 B10R1.178 CCCCC(=O)N1CCC1 527a_100000754969_100000210183 [0,1,0,1,0,0|2,0,0]=4 6845 B10R1.182 C#CC(C)C(=O)C1CCC1 1458a_100000209988_200000035995 [0,1,0,1,0,0|1,0,1]=4 6846 B10R1.182 C/C=C(\C)/C(=O)C1CCC1 1458a_100020587367_100000749161 [0,1,0,1,0,0|1,0,0]=3 6847 B10R1.182 C/C=C(\C)/C(=O)C1COC1 1458a_100020587367_100000687716 [0,1,0,1,0,0|2,0,0]=4 6848 B10R1.182 C/C=C(\C)/C(=O)N1CCC1 11a_100000754969_100020587367 [0,1,0,1,0,0|2,0,0]=4 6849 B10R1.182 C=CC(C)C(=O)C1CCC1 1458a_100011216780_100000749161 [0,1,0,1,0,0|1,0,1]=4 6850 B10R1.182 CC(C#N)C(=O)C1CCC1 1458a_100000209988_100000703298 [0,1,0,1,0,0|1,0,1]=4 6851 B10R1.182 CC(C#N)C(=O)C1CCC1 1458a_100000753662_100000749161 [0,1,0,1,0,0|1,0,1]=4 6852 B10R1.182 CCC(=O)N(C)C1CCC1 11a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 6853 B10R1.182 CCC(=O)N(C)C1CCC1 1626a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 6854 B10R1.182 CCC(=O)N(C)C1CCC1 240690a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 6855 B10R1.182 CCC(=O)N(C)C1CCC1 527a_100000758072_100000210414 [0,1,0,1,0,0|2,0,0]=4 6856 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100000209988_100000758301 [0,1,0,1,0,0|1,0,1]=4 6857 B10R1.182 CCC(C)C(=O)C1CCC1 1458a_100011192722_100000749161 [0,1,0,1,0,0|1,0,1]=4 6858 B10R1.182 CCC(O)C(=O)C1CCC1 1458a_100011196387_100000749161 [0,1,0,1,0,0|0,0,2]=4 6859 B10R1.182 CCN(C)C(=O)C1CCC1 11a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 6860 B10R1.182 CCN(C)C(=O)C1CCC1 1626a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 6861 B10R1.182 CCN(C)C(=O)C1CCC1 240690a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 6862 B10R1.182 CCN(C)C(=O)C1CCC1 527a_100000225621_100000209988 [0,1,0,1,0,0|2,0,0]=4 6863 B10R1.182 CN(C(=O)CO)C1CCC1 240690a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 6864 B10R1.182 CN(C(=O)CO)C1CCC1 527a_100000758072_100000210174 [0,1,0,1,0,0|2,0,0]=4 6865 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|0,0,0]=2 6866 B10R1.182 CNC(=O)C(=O)C1COC1 1458a_100011218921_100000687716 [0,1,0,1,0,0|1,0,0]=3 6867 B10R1.182 CNC(=O)C(=O)N1CCC1 240690a_100000754969_100011218921 [0,1,0,1,0,0|1,0,0]=3 6868 B10R1.182 CNC(=O)C(=O)N1CCC1 527a_100000754969_100011218921 [0,1,0,1,0,0|1,0,0]=3 6869 B10R1.182 CNC(=O)N(C)C1CCC1 2708a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 6870 B10R1.182 CNC(=O)N(C)C1CCC1 273464a_100102657272_100000758072 [0,1,0,1,0,0|2,0,0]=4 6871 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 6872 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 6873 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|1,0,0]=3 6874 B10R1.182 COC(C)C(=O)C1CCC1 1458a_100000743197_100000749161 [0,1,0,1,0,0|0,0,2]=4 6875 B10R1.182 CSC(C)C(=O)C1CCC1 1458a_100000149566_100000749161 [0,1,0,1,0,0|0,1,1]=4 6876 B10R1.182 O=C(C(O)CO)C1CCC1 1458a_100011215603_100000749161 [0,1,0,1,0,0|0,0,2]=4 6877 B10R1.184 C#CC(C)C(=O)CC1CC1 1458a_100000738066_200000035995 [0,1,0,1,0,0|1,0,1]=4 6878 B10R1.184 C/C=C(\C)/C(=O)CC1CC1 1458a_100020587367_100000742324 [0,1,0,1,0,0|1,0,0]=3 6879 B10R1.184 C/C=C(\C)/C(=O)CC1CO1 1458a_100020587367_100011216344 [0,1,0,1,0,0|2,0,0]=4 6880 B10R1.184 C/C=C(\C)/C(=O)CC1CS1 1458a_100020587367_100000031435 [0,1,0,1,0,0|2,0,0]=4 6881 B10R1.184 C/C=C(\C)/C(=O)C[C@@H]1CO1 1458a_100020587367_100000745022 [0,1,0,1,0,0|2,0,0]=4 6882 B10R1.184 C/C=C(\C)/C(=O)NC1CC1 1626a_100000212008_100020587367 [0,1,0,1,0,0|2,0,0]=4 6883 B10R1.184 C=CC(C)C(=O)CC1CC1 1458a_100011216780_100000742324 [0,1,0,1,0,0|1,0,1]=4 6884 B10R1.184 CC(C#N)C(=O)CC1CC1 1458a_100000738066_100000703298 [0,1,0,1,0,0|1,0,1]=4 6885 B10R1.184 CC(C#N)C(=O)CC1CC1 1458a_100000753662_100000742324 [0,1,0,1,0,0|1,0,1]=4 6886 B10R1.184 CCC(=O)C(=O)NC1CC1 1458a_100000756273_100000210202 [0,1,0,1,0,0|1,0,0]=3 6887 B10R1.184 CCC(=O)N(C)CC1CC1 11a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 6888 B10R1.184 CCC(=O)N(C)CC1CC1 1626a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 6889 B10R1.184 CCC(=O)N(C)CC1CC1 240690a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 6890 B10R1.184 CCC(=O)N(C)CC1CC1 527a_100000741881_100000210414 [0,1,0,1,0,0|2,0,0]=4 6891 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100000738066_100000758301 [0,1,0,1,0,0|1,0,1]=4 6892 B10R1.184 CCC(C)C(=O)CC1CC1 1458a_100011192722_100000742324 [0,1,0,1,0,0|1,0,1]=4 6893 B10R1.184 CCC(O)C(=O)CC1CC1 1458a_100011196387_100000742324 [0,1,0,1,0,0|0,0,2]=4 6894 B10R1.184 CCN(C)C(=O)CC1CC1 11a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6895 B10R1.184 CCN(C)C(=O)CC1CC1 1626a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6896 B10R1.184 CCN(C)C(=O)CC1CC1 240690a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6897 B10R1.184 CCN(C)C(=O)CC1CC1 527a_100000225621_100000738066 [0,1,0,1,0,0|2,0,0]=4 6898 B10R1.184 CN(CC1CC1)C(=O)CO 240690a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 6899 B10R1.184 CN(CC1CC1)C(=O)CO 527a_100000741881_100000210174 [0,1,0,1,0,0|2,0,0]=4 6900 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|0,0,0]=2 6901 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|1,0,0]=3 6902 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|1,0,0]=3 6903 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|1,0,0]=3 6904 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100000212008_100011218921 [0,1,0,1,0,0|1,0,0]=3 6905 B10R1.184 CNC(=O)C(=O)NC1CC1 1626a_100102657272_100000756273 [0,1,0,1,0,0|1,0,0]=3 6906 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100000212008_100011218921 [0,1,0,1,0,0|1,0,0]=3 6907 B10R1.184 CNC(=O)C(=O)NC1CC1 240690a_100102657272_100000756273 [0,1,0,1,0,0|1,0,0]=3 6908 B10R1.184 CNC(=O)C(=O)NC1CC1 527a_100000212008_100011218921 [0,1,0,1,0,0|1,0,0]=3 6909 B10R1.184 CNC(=O)N(C)CC1CC1 2708a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 6910 B10R1.184 CNC(=O)N(C)CC1CC1 273464a_100102657272_100000741881 [0,1,0,1,0,0|2,0,0]=4 6911 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 6912 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 6913 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|1,0,0]=3 6914 B10R1.184 COC(C)C(=O)CC1CC1 1458a_100000743197_100000742324 [0,1,0,1,0,0|0,0,2]=4 6915 B10R1.184 CSC(C)C(=O)CC1CC1 1458a_100000149566_100000742324 [0,1,0,1,0,0|0,1,1]=4 6916 B10R1.184 O=C(CC1CC1)C(O)CO 1458a_100011215603_100000742324 [0,1,0,1,0,0|0,0,2]=4 6917 B10R1.184 O=C(CF)C(=O)NC1CC1 1458a_100000756273_100015361967 [0,1,0,1,0,0|1,0,0]=3 6918 B10R1.264 CCOC1C(=O)C(=O)C1=O 7a_100010658403_100000210202 [0,1,0,1,0,0|1,0,1]=4 6919 B10R1.411 CC1(CCCC1)C(=O)CF 1458a_100000239728_100015361967 [0,1,0,1,0,0|1,0,1]=4 6920 B10R1.411 CCC(=O)C1(CCCC1)C 1458a_100000239728_100000210202 [0,1,0,1,0,0|1,0,1]=4 6921 B10R1.411 CCC(=O)C1(CCCC1)O 1458a_100000242637_100000210202 [0,1,0,1,0,0|0,0,2]=4 6922 B10R1.411 CNC(=O)C1(CCCC1)C 11a_106832991635_100000239728 [0,1,0,1,0,0|1,0,1]=4 6923 B10R1.411 CNC(=O)C1(CCCC1)C 1626a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 6924 B10R1.411 CNC(=O)C1(CCCC1)C 240690a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 6925 B10R1.411 CNC(=O)C1(CCCC1)C 527a_100102657272_100000239728 [0,1,0,1,0,0|1,0,1]=4 6926 B10R1.411 CNC(=O)C1(CCCC1)O 240690a_100102657272_100000242637 [0,1,0,1,0,0|0,0,2]=4 6927 B10R1.411 CNC(=O)C1(CCCC1)O 527a_100102657272_100000242637 [0,1,0,1,0,0|0,0,2]=4 6928 B10R1.411 O=C(CF)C1(CCCC1)O 1458a_100000242637_100015361967 [0,1,0,1,0,0|0,0,2]=4 6929 B10R1.461 C#CC(C)C(=O)C1CC1C 1458a_100000211227_200000035995 [0,1,0,1,0,0|1,0,1]=4 6930 B10R1.461 CC(C#N)C(=O)C1CC1C 1458a_100000211227_100000703298 [0,1,0,1,0,0|1,0,1]=4 6931 B10R1.461 CCC(C)C(=O)C1CC1C 1458a_100000211227_100000758301 [0,1,0,1,0,0|1,0,1]=4 6932 B10R1.461 CCN(C)C(=O)C1CC1C 11a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 6933 B10R1.461 CCN(C)C(=O)C1CC1C 1626a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 6934 B10R1.461 CCN(C)C(=O)C1CC1C 527a_100000225621_100000211227 [0,1,0,1,0,0|2,0,0]=4 6935 B10R1.31 CC(=O)N1CCC(C1)CO 240690a_100000748654_100015343762 [0,1,0,1,0,0|2,0,0]=4 6936 B10R1.31 CC(=O)N1CCC(C1)CO 527a_100000748654_100103153847 [0,1,0,1,0,0|2,0,0]=4 6937 B10R1.31 CC(=O)N1CCC(C1)N[13CH3] 2230a_100000705975_200025704644 [0,1,0,1,0,0|2,0,0]=4 6938 B10R1.31 CC(=O)N1CC[C@@H](C1)O[13CH3] 7a_100012000934_200025704644 [0,1,0,1,0,0|2,0,0]=4 6939 B10R1.31 CCN1CCC(C1)C(=O)C 1458a_100103286618_200000210301 [0,1,0,1,0,0|1,0,1]=4 6940 B10R1.31 CCN1CCC(C1)C(=O)[13CH3] 1458a_100103286618_200025704644 [0,1,0,1,0,0|1,0,1]=4 6941 B10R1.31 CNC1CCN(C1)C(=O)C 2230a_100000705975_200000210301 [0,1,0,1,0,0|2,0,0]=4 6942 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 11a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6943 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 1626a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6944 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 240690a_100000766984_100015343762 [0,1,0,1,0,0|2,0,0]=4 6945 B10R1.31 CO[C@@H]1CCN(C1)C(=O)C 527a_100000766984_100103153847 [0,1,0,1,0,0|2,0,0]=4 6946 B10R1.31 CO[C@H]1CCN(C1)C(=O)C 7a_100012000934_200000210301 [0,1,0,1,0,0|2,0,0]=4 6947 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000070787_100000755940 [0,1,0,1,0,0|1,0,1]=4 6948 B10R1.194 CC(=O)C1CCN(C1=O)C 1458a_100000137746_200000210301 [0,1,0,1,0,0|1,0,1]=4 6949 B10R1.194 CN1CCC(C1=O)C(=O)[13CH3] 1458a_100000137746_200025704644 [0,1,0,1,0,0|1,0,1]=4 6950 B10R1.219 CCN(C(=O)C)C1CCC1 11a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 6951 B10R1.219 CCN(C(=O)C)C1CCC1 1626a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 6952 B10R1.219 CCN(C(=O)C)C1CCC1 240690a_100000758130_100015343762 [0,1,0,1,0,0|2,0,0]=4 6953 B10R1.219 CCN(C(=O)C)C1CCC1 527a_100000758130_100103153847 [0,1,0,1,0,0|2,0,0]=4 6954 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,1,0,1,0,0|1,0,1]=4 6955 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,1,0,1,0,0|1,0,1]=4 6956 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6957 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6958 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,1,0,1,0,0|2,0,0]=4 6959 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,1,0,1,0,0|2,0,0]=4 6960 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 6961 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 6962 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,1,0,1,0,0|2,0,0]=4 6963 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,1,0,1,0,0|2,0,0]=4 6964 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,1,0,1,0,0|1,0,1]=4 6965 B10R1.477 CC(=O)C1(CCCC1)C#N 1458a_100000209868_200000210301 [0,1,0,1,0,0|1,0,1]=4 6966 B10R1.477 [13CH3]C(=O)C1(CCCC1)C#N 1458a_100000209868_200025704644 [0,1,0,1,0,0|1,0,1]=4 6967 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,1,0,1,0,0|1,0,1]=4 6968 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,1,0,1,0,0|1,0,1]=4 6969 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,1,0,1,0,0|1,0,1]=4 6970 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6971 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6972 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,1,0,1,0,0|2,0,0]=4 6973 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,1,0,1,0,0|2,0,0]=4 6974 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,1,0,1,0,0|2,0,0]=4 6975 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,1,0,1,0,0|2,0,0]=4 6976 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 6977 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,1,0,1,0,0|2,0,0]=4 6978 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,1,0,1,0,0|2,0,0]=4 6979 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 6980 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 6981 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,1,0,1,0,0|2,0,0]=4 6982 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,1,0,1,0,0|2,0,0]=4 6983 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,1,0,1,0,0|1,0,1]=4 6984 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,1,0,1,0,0|1,0,1]=4 6985 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,1,0,1,0,0|1,0,1]=4 6986 B10R1.116 C=C(Br)C(=O)N1CCC1C 11a_100000755817_100009813364 [0,1,0,1,0,0|1,0,1]=4 6987 B10R1.116 C=C(C)C(=O)C1CCC1=O 1458a_100000185857_100009892977 [0,1,0,1,0,0|1,0,1]=4 6988 B10R1.116 C=C(C)C(=O)N1CCC1C 11a_100000755817_100000185857 [0,1,0,1,0,0|1,0,0]=3 6989 B10R1.116 C=C(Cl)C(=O)N1CCC1C 11a_100000755817_100000039160 [0,1,0,1,0,0|1,0,1]=4 6990 B10R1.116 C=C(F)C(=O)N1CCC1C 11a_100000755817_100000036797 [0,1,0,1,0,0|1,0,1]=4 6991 B10R1.116 CC(=O)C(C)N1CCC1C 269982a_100000755817_100009814033 [0,1,0,1,0,0|1,0,1]=4 6992 B10R1.116 CC(C)C(=O)N1CCC1C 11a_100000755817_100000210198 [0,1,0,1,0,0|1,0,1]=4 6993 B10R1.116 CC(C)C(=O)N1CCC1C 240690a_100000755817_100000210198 [0,1,0,1,0,0|1,0,1]=4 6994 B10R1.116 CC(C)C(=O)N1CCC1C 527a_100000755817_100000210198 [0,1,0,1,0,0|1,0,1]=4 6995 B10R1.116 CC(F)C(=O)N1CCC1C 11a_100000755817_100000062450 [0,1,0,1,0,0|1,0,1]=4 6996 B10R1.116 CC(F)C(=O)N1CCC1C 240690a_100000755817_100000062450 [0,1,0,1,0,0|1,0,1]=4 6997 B10R1.116 CC(F)C(=O)N1CCC1C 527a_100000755817_100000062450 [0,1,0,1,0,0|1,0,1]=4 6998 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|1,0,0]=3 6999 B10R1.116 CC1CCN1C(=O)[C@@H](C)O 240690a_100000755817_100000717761 [0,1,0,1,0,0|0,0,2]=4 7000 B10R1.116 CC1CCN1C(=O)[C@H](C)O 240690a_100000755817_217856618621 [0,1,0,1,0,0|0,0,2]=4 7001 B10R1.134 CCC(C)CC(=O)C1CC1 1458a_100000210395_100000748023 [0,1,0,1,0,0|1,0,1]=4 7002 B10R1.134 CCC(C)CC(=O)C1CO1 1458a_100000701028_100000748023 [0,1,0,1,0,0|0,0,2]=4 7003 B10R1.134 CCC(O)CC(=O)C1CC1 1458a_100000210395_100011218378 [0,1,0,1,0,0|1,0,1]=4 7004 B10R1.134 CCC(O)CC(=O)C1CO1 1458a_100000701028_100011218378 [0,1,0,1,0,0|0,0,2]=4 7005 B10R1.134 CC[C@H](C)CC(=O)C1CC1 1458a_100000210395_100009816398 [0,1,0,1,0,0|1,0,1]=4 7006 B10R1.134 CC[C@H](C)CC(=O)C1CO1 1458a_100000701028_100009816398 [0,1,0,1,0,0|0,0,2]=4 7007 B10R1.203 C=C(C)C(=O)CC1(CO1)C 1458a_100000185857_100000760498 [0,1,0,1,0,0|2,0,0]=4 7008 B10R1.203 C=C(C)C(=O)NC1(CC1)C 11a_100000757604_100000185857 [0,1,0,1,0,0|2,0,0]=4 7009 B10R1.203 C=C(C)C(=O)NC1(CC1)C 1626a_100000757604_100000185857 [0,1,0,1,0,0|2,0,0]=4 7010 B10R1.203 CC(C)C(=O)CC1(CC1)C 1458a_100000112800_100000210206 [0,1,0,1,0,0|1,0,1]=4 7011 B10R1.203 CC1(CC1)NC(=O)C(=O)N 240690a_100000757604_100011215815 [0,1,0,1,0,0|2,0,0]=4 7012 B10R1.203 CN(C)C(=O)CC1(CC1)C 11a_100102631434_100000112800 [0,1,0,1,0,0|2,0,0]=4 7013 B10R1.203 CN(C)C(=O)CC1(CC1)C 1626a_100102631434_100000112800 [0,1,0,1,0,0|2,0,0]=4 7014 B10R1.203 CN(C)C(=O)CC1(CC1)C 240690a_100102631434_100000112800 [0,1,0,1,0,0|2,0,0]=4 7015 B10R1.203 CN(C)C(=O)CC1(CC1)C 527a_100102631434_100000112800 [0,1,0,1,0,0|2,0,0]=4 7016 B10R1.204 C=C(Br)C(=O)NC1CCC1 11a_100000749019_100009813364 [0,1,0,1,0,0|1,0,1]=4 7017 B10R1.204 C=C(Br)C(=O)NC1CCC1 1626a_100000749019_100009813364 [0,1,0,1,0,0|1,0,1]=4 7018 B10R1.204 C=C(C)C(=O)CC1CCC1 1458a_100000185857_100000763275 [0,1,0,1,0,0|1,0,0]=3 7019 B10R1.204 C=C(C)C(=O)CC1CCO1 1458a_100000185857_100000103362 [0,1,0,1,0,0|1,0,0]=3 7020 B10R1.204 C=C(C)C(=O)CC1COC1 1458a_100000185857_100010264016 [0,1,0,1,0,0|1,0,0]=3 7021 B10R1.204 C=C(C)C(=O)NC1CCC1 11a_100000749019_100000185857 [0,1,0,1,0,0|1,0,0]=3 7022 B10R1.204 C=C(C)C(=O)NC1CCC1 1626a_100000749019_100000185857 [0,1,0,1,0,0|1,0,0]=3 7023 B10R1.204 C=C(C)C(=O)NC1COC1 11a_100016991112_100000185857 [0,1,0,1,0,0|2,0,0]=4 7024 B10R1.204 C=C(C)C(=O)NC1COC1 1626a_100016991112_100000185857 [0,1,0,1,0,0|2,0,0]=4 7025 B10R1.204 C=C(C)C(=O)NC1CSC1 11a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 7026 B10R1.204 C=C(C)C(=O)NC1CSC1 1626a_100016994217_100000185857 [0,1,0,1,0,0|2,0,0]=4 7027 B10R1.204 C=C(Cl)C(=O)NC1CCC1 11a_100000749019_100000039160 [0,1,0,1,0,0|1,0,1]=4 7028 B10R1.204 C=C(Cl)C(=O)NC1CCC1 1626a_100000749019_100000039160 [0,1,0,1,0,0|1,0,1]=4 7029 B10R1.204 C=C(F)C(=O)NC1CCC1 11a_100000749019_100000036797 [0,1,0,1,0,0|1,0,1]=4 7030 B10R1.204 C=C(F)C(=O)NC1CCC1 1626a_100000749019_100000036797 [0,1,0,1,0,0|1,0,1]=4 7031 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|0,0,0]=2 7032 B10R1.204 CC(=O)C(C)NC1CCC1 2230a_100000749019_100009814033 [0,1,0,1,0,0|1,0,1]=4 7033 B10R1.204 CC(=O)C(C)OC1CCC1 34a_100000212229_100000749161 [0,1,0,1,0,0|1,0,1]=4 7034 B10R1.204 CC(=O)C(C)SC1CCC1 62a_100009814033_100000749161 [0,1,0,1,0,0|1,0,1]=4 7035 B10R1.204 CC(=O)N(C)CC1CCC1 11a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 7036 B10R1.204 CC(=O)N(C)CC1CCC1 1626a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 7037 B10R1.204 CC(=O)N(C)CC1CCC1 240690a_200000750244_100015343762 [0,1,0,1,0,0|2,0,0]=4 7038 B10R1.204 CC(=O)N(C)CC1CCC1 527a_200000750244_100103153847 [0,1,0,1,0,0|2,0,0]=4 7039 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000210198_100000763275 [0,1,0,1,0,0|1,0,1]=4 7040 B10R1.204 CC(C)C(=O)CC1CCC1 1458a_100000763092_100000210206 [0,1,0,1,0,0|1,0,1]=4 7041 B10R1.204 CC(C)C(=O)CC1CCO1 1458a_100000210198_100000103362 [0,1,0,1,0,0|1,0,1]=4 7042 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000210198_100010264016 [0,1,0,1,0,0|1,0,1]=4 7043 B10R1.204 CC(C)C(=O)CC1COC1 1458a_100000687760_100000210206 [0,1,0,1,0,0|1,0,1]=4 7044 B10R1.204 CC(C)C(=O)CN1CCC1 269982a_100000754969_100000753385 [0,1,0,1,0,0|1,0,1]=4 7045 B10R1.204 CC(C)C(=O)NC1CCC1 11a_100000749019_100000210198 [0,1,0,1,0,0|1,0,1]=4 7046 B10R1.204 CC(C)C(=O)NC1CCC1 1626a_100000749019_100000210198 [0,1,0,1,0,0|1,0,1]=4 7047 B10R1.204 CC(C)C(=O)NC1CCC1 240690a_100000749019_100000210198 [0,1,0,1,0,0|1,0,1]=4 7048 B10R1.204 CC(C)C(=O)NC1CCC1 527a_100000749019_100000210198 [0,1,0,1,0,0|1,0,1]=4 7049 B10R1.204 CC(F)C(=O)CC1CCC1 1458a_100000062450_100000763275 [0,1,0,1,0,0|1,0,1]=4 7050 B10R1.204 CC(F)C(=O)CC1CCO1 1458a_100000062450_100000103362 [0,1,0,1,0,0|1,0,1]=4 7051 B10R1.204 CC(F)C(=O)CC1COC1 1458a_100000062450_100010264016 [0,1,0,1,0,0|1,0,1]=4 7052 B10R1.204 CC(F)C(=O)NC1CCC1 11a_100000749019_100000062450 [0,1,0,1,0,0|1,0,1]=4 7053 B10R1.204 CC(F)C(=O)NC1CCC1 1626a_100000749019_100000062450 [0,1,0,1,0,0|1,0,1]=4 7054 B10R1.204 CC(F)C(=O)NC1CCC1 240690a_100000749019_100000062450 [0,1,0,1,0,0|1,0,1]=4 7055 B10R1.204 CC(F)C(=O)NC1CCC1 527a_100000749019_100000062450 [0,1,0,1,0,0|1,0,1]=4 7056 B10R1.204 CN(C)C(=O)CC1CCC1 11a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 7057 B10R1.204 CN(C)C(=O)CC1CCC1 1626a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 7058 B10R1.204 CN(C)C(=O)CC1CCC1 240690a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 7059 B10R1.204 CN(C)C(=O)CC1CCC1 527a_100102631434_100000763092 [0,1,0,1,0,0|2,0,0]=4 7060 B10R1.204 CN(C)C(=O)CC1COC1 11a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 7061 B10R1.204 CN(C)C(=O)CC1COC1 1626a_100102631434_100000687760 [0,1,0,1,0,0|2,0,0]=4 7062 B10R1.204 CN(C)C(=O)CN1CCC1 269982a_100000754969_100000185267 [0,1,0,1,0,0|2,0,0]=4 7063 B10R1.204 C[C@@H](O)C(=O)CC1CCC1 1458a_100000717761_100000763275 [0,1,0,1,0,0|0,0,2]=4 7064 B10R1.204 C[C@@H](O)C(=O)CC1CCO1 1458a_100000717761_100000103362 [0,1,0,1,0,0|0,0,2]=4 7065 B10R1.204 C[C@@H](O)C(=O)CC1COC1 1458a_100000717761_100010264016 [0,1,0,1,0,0|0,0,2]=4 7066 B10R1.204 C[C@@H](O)C(=O)NC1CCC1 240690a_100000749019_100000717761 [0,1,0,1,0,0|0,0,2]=4 7067 B10R1.204 C[C@H](O)C(=O)CC1CCC1 1458a_217856618621_100000763275 [0,1,0,1,0,0|0,0,2]=4 7068 B10R1.204 C[C@H](O)C(=O)CC1CCO1 1458a_217856618621_100000103362 [0,1,0,1,0,0|0,0,2]=4 7069 B10R1.204 C[C@H](O)C(=O)CC1COC1 1458a_217856618621_100010264016 [0,1,0,1,0,0|0,0,2]=4 7070 B10R1.204 C[C@H](O)C(=O)NC1CCC1 1626a_100000749019_217856618621 [0,1,0,1,0,0|0,0,2]=4 7071 B10R1.204 C[C@H](O)C(=O)NC1CCC1 240690a_100000749019_217856618621 [0,1,0,1,0,0|0,0,2]=4 7072 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|1,0,0]=3 7073 B10R1.204 NC(=O)C(=O)NC1COC1 240690a_100016991112_100011215815 [0,1,0,1,0,0|2,0,0]=4 7074 B10R1.204 NC(=O)C(=O)NC1CSC1 240690a_100016994217_100011215815 [0,1,0,1,0,0|2,0,0]=4 7075 B10R1.235 CCC1(CN(C1)C(=O)C)O 11a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 7076 B10R1.235 CCC1(CN(C1)C(=O)C)O 1626a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 7077 B10R1.235 CCC1(CN(C1)C(=O)C)O 240690a_100015191684_100015343762 [0,1,0,1,0,0|2,0,0]=4 7078 B10R1.235 CCC1(CN(C1)C(=O)C)O 527a_100015191684_100103153847 [0,1,0,1,0,0|2,0,0]=4 7079 B10R1.277 CN1CCCN(C(=O)C1)C 2230a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7080 B10R1.277 CN1CCCN(C(=O)C1)C 269982a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7081 B10R1.277 CN1CCCN(C(=O)C1)C 34a_100000709885_200000210301 [0,1,0,1,0,0|2,0,0]=4 7082 B10R1.277 CN1CCCN(CC1=O)[13CH3] 2230a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7083 B10R1.277 CN1CCCN(CC1=O)[13CH3] 269982a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7084 B10R1.277 CN1CCCN(CC1=O)[13CH3] 34a_100000709885_200025704644 [0,1,0,1,0,0|2,0,0]=4 7085 B10R1.37 CCCCNC1CCC1=O 7a_106832991798_100009892977 [0,1,0,1,0,0|1,0,1]=4 7086 B10R1.37 CCCCOC1CCC1=O 34a_100000210227_100009892977 [0,1,0,1,0,0|1,0,1]=4 7087 B10R1.37 CCCCOC1CCC1=O 7a_100000210227_100009892977 [0,1,0,1,0,0|1,0,1]=4 7088 B10R1.37 CCCCSC1CCC1=O 62a_100000210211_100009892977 [0,1,0,1,0,0|1,0,1]=4 7089 B10R1.37 CCCCSC1CCC1=O 62a_100009892977_100000210210 [0,1,0,1,0,0|1,0,1]=4 7090 B10R1.37 CCNCCC1CCC1=O 2230a_100015525214_200016118888 [0,1,0,1,0,0|1,0,1]=4 7091 B10R1.37 CCSCCC1CCC1=O 62a_100000210202_200016118888 [0,1,0,1,0,0|1,0,1]=4 7092 B10R1.37 CCSCCC1CCC1=O 62a_200016118888_100000210202 [0,1,0,1,0,0|1,0,1]=4 7093 B10R1.93 CCNC1CN(C1)C(=O)C 2230a_100102955437_100000210202 [0,1,0,1,0,0|2,0,0]=4 7094 B10R1.93 CCOC1CN(C1)C(=O)C 11a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 7095 B10R1.93 CCOC1CN(C1)C(=O)C 1626a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 7096 B10R1.93 CCOC1CN(C1)C(=O)C 240690a_100000732654_100015343762 [0,1,0,1,0,0|2,0,0]=4 7097 B10R1.93 CCOC1CN(C1)C(=O)C 527a_100000732654_100103153847 [0,1,0,1,0,0|2,0,0]=4 7098 B10R1.93 COCC1CC(C1)C(=O)C 1458a_100000138301_200000210301 [0,1,0,1,0,0|1,0,1]=4 7099 B10R1.93 COCC1CC(C1)C(=O)[13CH3] 1458a_100000138301_200025704644 [0,1,0,1,0,0|1,0,1]=4 7100 B10R1.93 COCC1CN(C1)C(=O)C 11a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 7101 B10R1.93 COCC1CN(C1)C(=O)C 240690a_100016993750_100015343762 [0,1,0,1,0,0|2,0,0]=4 7102 B10R1.93 COCC1CN(C1)C(=O)C 527a_100016993750_100103153847 [0,1,0,1,0,0|2,0,0]=4 7103 B10R1.131 CCNC1C=C(C(=O)O1)C 2230a_100015525214_200009893386 [0,1,0,1,0,0|2,0,0]=4 7104 B10R1.131 CCNC1CC(=O)N(C1)C 2230a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 7105 B10R1.131 CCNC1CC(=O)N(C1)C 34a_100000748898_100000210202 [0,1,0,1,0,0|2,0,0]=4 7106 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_100000210202_200009893386 [0,1,0,1,0,0|2,0,0]=4 7107 B10R1.131 CCSC1C=C(C(=O)O1)C 62a_200009893386_100000210202 [0,1,0,1,0,0|2,0,0]=4 7108 B10R1.131 CN1CC(CC1=O)CO[13CH3] 34a_100015185614_200025704644 [0,1,0,1,0,0|2,0,0]=4 7109 B10R1.131 COCC1CC(=O)N(C1)C 34a_100015185614_200000210301 [0,1,0,1,0,0|2,0,0]=4 7110 B10R1.186 CCCCCC(=O)C1CC1 1458a_100000210395_100000210326 [0,1,0,1,0,0|1,0,1]=4 7111 B10R1.186 CCCCCC(=O)C1CO1 1458a_100000701028_100000210326 [0,1,0,1,0,0|0,0,2]=4 7112 B10R1.186 CCCCNC(=O)C1CC1 11a_100000102301_100000210395 [0,1,0,1,0,0|1,0,1]=4 7113 B10R1.186 CCCCNC(=O)C1CC1 1626a_100000102301_100000210395 [0,1,0,1,0,0|1,0,1]=4 7114 B10R1.186 CCCCNC(=O)C1CC1 240690a_100000102301_100000210395 [0,1,0,1,0,0|1,0,1]=4 7115 B10R1.186 CCCCNC(=O)C1CC1 527a_100000102301_100000210395 [0,1,0,1,0,0|1,0,1]=4 7116 B10R1.186 CCCCNC(=O)C1CO1 11a_100000102301_100000701028 [0,1,0,1,0,0|0,0,2]=4 7117 B10R1.186 CCCCNC(=O)C1CO1 1626a_100000102301_100000701028 [0,1,0,1,0,0|0,0,2]=4 7118 B10R1.186 CCCCNC(=O)C1CO1 240690a_100000102301_100000701028 [0,1,0,1,0,0|0,0,2]=4 7119 B10R1.186 CCCCNC(=O)C1CO1 527a_100000102301_100000701028 [0,1,0,1,0,0|0,0,2]=4 7120 B10R1.186 CCCOCC(=O)C1CC1 34a_100000210258_100000746382 [0,1,0,1,0,0|1,0,1]=4 7121 B10R1.186 CCCOCC(=O)C1CC1 34a_100000686663_100000210303 [0,1,0,1,0,0|1,0,1]=4 7122 B10R1.186 CCCSCC(=O)C1CC1 62a_100000210303_100000746382 [0,1,0,1,0,0|1,0,1]=4 7123 B10R1.186 CCCSCC(=O)C1CC1 62a_100000746382_100000210303 [0,1,0,1,0,0|1,0,1]=4 7124 B10R1.186 CCOCCC(=O)C1CC1 1458a_100000210395_100011215890 [0,1,0,1,0,0|1,0,1]=4 7125 B10R1.186 CCOCCC(=O)C1CO1 1458a_100000701028_100011215890 [0,1,0,1,0,0|0,0,2]=4 7126 B10R1.186 CCSCCC(=O)C1CC1 1458a_100000210395_100000757381 [0,1,0,1,0,0|1,0,1]=4 7127 B10R1.186 CCSCCC(=O)C1CO1 1458a_100000701028_100000757381 [0,1,0,1,0,0|0,0,2]=4 7128 B10R1.186 COCCCC(=O)C1CC1 1458a_100000210395_100000740836 [0,1,0,1,0,0|1,0,1]=4 7129 B10R1.186 COCCCC(=O)C1CO1 1458a_100000701028_100000740836 [0,1,0,1,0,0|0,0,2]=4 7130 B10R1.186 O=C(CCCCF)C1CC1 1458a_100000210395_100000729493 [0,1,0,1,0,0|1,0,1]=4 7131 B10R1.186 O=C(CCCCF)C1CO1 1458a_100000701028_100000729493 [0,1,0,1,0,0|0,0,2]=4 7132 B10R1.186 O=C(CCCCO)C1CC1 1458a_100000210395_100000210776 [0,1,0,1,0,0|1,0,1]=4 7133 B10R1.186 O=C(CCCCO)C1CO1 1458a_100000701028_100000210776 [0,1,0,1,0,0|0,0,2]=4 7134 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [0,1,0,1,0,0|1,0,1]=4 7135 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [0,1,0,1,0,0|1,0,1]=4 7136 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [0,1,0,1,0,0|0,0,2]=4 7137 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [0,1,0,1,0,0|1,0,1]=4 7138 B10R1.363 CC(=O)C1(CCOCC1)F 1458a_100009845733_200000210301 [0,1,0,1,0,0|1,0,1]=4 7139 B10R1.363 CC(=O)C1(CCOCC1)O 1458a_100000751969_200000210301 [0,1,0,1,0,0|0,0,2]=4 7140 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [0,1,0,1,0,0|1,0,1]=4 7141 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [0,1,0,1,0,0|1,0,1]=4 7142 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [0,1,0,1,0,0|1,0,1]=4 7143 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [0,1,0,1,0,0|0,0,2]=4 7144 B10R1.363 [13CH3]C(=O)C1(CCOCC1)F 1458a_100009845733_200025704644 [0,1,0,1,0,0|1,0,1]=4 7145 B10R1.363 [13CH3]C(=O)C1(CCOCC1)O 1458a_100000751969_200025704644 [0,1,0,1,0,0|0,0,2]=4 7146 B10R2.357 CC(=O)N1CC2CC2C1 11a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 7147 B10R2.357 CC(=O)N1CC2CC2C1 1626a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 7148 B10R2.357 CC(=O)N1CC2CC2C1 240690a_100000741873_100015343762 [0,0,0,2,0,0|2,0,0]=4 7149 B10R2.357 CC(=O)N1CC2CC2C1 527a_100000741873_100103153847 [0,0,0,2,0,0|2,0,0]=4 7150 B10R2.638 CC(=O)C1CC12CCC2 1458a_100000687150_200000210301 [0,0,0,2,0,0|1,0,1]=4 7151 B10R2.638 [13CH3]C(=O)C1CC12CCC2 1458a_100000687150_200025704644 [0,0,0,2,0,0|1,0,1]=4 7152 B10R2.646 CC(=O)N1CC2(C1)CC2 11a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 7153 B10R2.646 CC(=O)N1CC2(C1)CC2 1626a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 7154 B10R2.646 CC(=O)N1CC2(C1)CC2 240690a_100015196877_100015343762 [0,0,0,2,0,0|2,0,0]=4 7155 B10R2.646 CC(=O)N1CC2(C1)CC2 527a_100015196877_100103153847 [0,0,0,2,0,0|2,0,0]=4 7156 B10R2.406 O=C(C1CCC1)C2CC2 1458a_100000210395_100000749161 [0,0,0,2,0,0|1,0,1]=4 7157 B10R2.406 O=C(C1CCC1)C2CO2 1458a_100000701028_100000749161 [0,0,0,2,0,0|0,0,2]=4 7158 B10R2.485 O=C(CC1CC1)C2CC2 1458a_100000210395_100000742324 [0,0,0,2,0,0|1,0,1]=4 7159 B10R2.485 O=C(CC1CC1)C2CO2 1458a_100000701028_100000742324 [0,0,0,2,0,0|0,0,2]=4 7160 B10R0.78 C#CCCC(=O)CNC(=O)C 1458a_100000194580_100000753159 [0,0,0,0,0,2|0,0,2]=4 7161 B10R0.78 C#CCCC(=O)COC(=O)C 1458a_100000183556_100000753159 [0,0,0,0,0,2|0,0,2]=4 7162 B10R0.78 C#CCCC(=O)CSC(=O)C 1458a_100000049016_100000753159 [0,0,0,0,0,2|0,0,2]=4 7163 B10R0.78 C#CCCC(=O)NNC(=O)C 22a_100000189765_100000692101 [0,0,0,0,0,2|0,0,2]=4 7164 B10R0.78 C/C=C/CC(=O)CNC(=O)C 1458a_100000194580_100102629194 [0,0,0,0,0,2|0,0,2]=4 7165 B10R0.78 C/C=C/CC(=O)COC(=O)C 1458a_100000183556_100102629194 [0,0,0,0,0,2|0,0,2]=4 7166 B10R0.78 C/C=C/CC(=O)CSC(=O)C 1458a_100000049016_100102629194 [0,0,0,0,0,2|0,0,2]=4 7167 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_100000210183_100000730704 [0,0,0,0,0,2|1,0,0]=3 7168 B10R0.78 C=C(C)CCC(=O)CCCC 1458a_200000688413_100000210211 [0,0,0,0,0,2|1,0,0]=3 7169 B10R0.78 C=C(C)CCC(=O)CCCF 1458a_200000688413_100011934791 [0,0,0,0,0,2|2,0,0]=4 7170 B10R0.78 C=C(C)CCC(=O)CCCO 1458a_200000688413_100011215043 [0,0,0,0,0,2|2,0,0]=4 7171 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_100000749529_100000730704 [0,0,0,0,0,2|2,0,0]=4 7172 B10R0.78 C=C(C)CCC(=O)CCOC 1458a_200000688413_100000233755 [0,0,0,0,0,2|2,0,0]=4 7173 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_100000174002_100000730704 [0,0,0,0,0,2|2,0,0]=4 7174 B10R0.78 C=C(C)CCC(=O)CCSC 1458a_200000688413_100000751147 [0,0,0,0,0,2|2,0,0]=4 7175 B10R0.78 C=C(C)CCC(=O)COCC 1458a_100000211967_100000730704 [0,0,0,0,0,2|2,0,0]=4 7176 B10R0.78 C=C(C)CCC(=O)CSCC 1458a_100000230394_100000730704 [0,0,0,0,0,2|2,0,0]=4 7177 B10R0.78 C=C(C)CCC(=O)NCCC 11a_100020643023_200000688413 [0,0,0,0,0,2|2,0,0]=4 7178 B10R0.78 C=C(C)CCC(=O)NCCC 1626a_100020643023_200000688413 [0,0,0,0,0,2|2,0,0]=4 7179 B10R0.78 C=C(C)CCC(=O)NCCC 240690a_100020643023_200000688413 [0,0,0,0,0,2|2,0,0]=4 7180 B10R0.78 C=C(C)CCC(=O)NCCC 527a_100020643023_200000688413 [0,0,0,0,0,2|2,0,0]=4 7181 B10R0.78 C=C(C)CNC(=O)CCCC 11a_100000765925_100000210183 [0,0,0,0,0,2|1,0,0]=3 7182 B10R0.78 C=C(C)CNC(=O)CCCC 1626a_100000765925_100000210183 [0,0,0,0,0,2|1,0,0]=3 7183 B10R0.78 C=C(C)CNC(=O)CCCC 240690a_100000765925_100000210183 [0,0,0,0,0,2|1,0,0]=3 7184 B10R0.78 C=C(C)CNC(=O)CCCC 527a_100000765925_100000210183 [0,0,0,0,0,2|1,0,0]=3 7185 B10R0.78 C=C(C)CNC(=O)CCOC 11a_100000765925_100000749529 [0,0,0,0,0,2|2,0,0]=4 7186 B10R0.78 C=C(C)CNC(=O)CCOC 1626a_100000765925_100000749529 [0,0,0,0,0,2|2,0,0]=4 7187 B10R0.78 C=C(C)CNC(=O)CCOC 240690a_100000765925_100000749529 [0,0,0,0,0,2|2,0,0]=4 7188 B10R0.78 C=C(C)CNC(=O)CCOC 527a_100000765925_100000749529 [0,0,0,0,0,2|2,0,0]=4 7189 B10R0.78 C=C(C)CNC(=O)CCSC 11a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 7190 B10R0.78 C=C(C)CNC(=O)CCSC 1626a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 7191 B10R0.78 C=C(C)CNC(=O)CCSC 240690a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 7192 B10R0.78 C=C(C)CNC(=O)CCSC 527a_100000765925_100000174002 [0,0,0,0,0,2|2,0,0]=4 7193 B10R0.78 C=C(C)CNC(=O)COCC 11a_100000765925_100000211967 [0,0,0,0,0,2|2,0,0]=4 7194 B10R0.78 C=C(C)CNC(=O)COCC 1626a_100000765925_100000211967 [0,0,0,0,0,2|2,0,0]=4 7195 B10R0.78 C=C(C)CNC(=O)COCC 240690a_100000765925_100000211967 [0,0,0,0,0,2|2,0,0]=4 7196 B10R0.78 C=C(C)CNC(=O)COCC 527a_100000765925_100000211967 [0,0,0,0,0,2|2,0,0]=4 7197 B10R0.78 C=C(C)CNC(=O)CSCC 11a_100000765925_100000230394 [0,0,0,0,0,2|2,0,0]=4 7198 B10R0.78 C=C(C)CNC(=O)CSCC 1626a_100000765925_100000230394 [0,0,0,0,0,2|2,0,0]=4 7199 B10R0.78 C=C(C)CNC(=O)CSCC 240690a_100000765925_100000230394 [0,0,0,0,0,2|2,0,0]=4 7200 B10R0.78 C=C(C)CNC(=O)CSCC 527a_100000765925_100000230394 [0,0,0,0,0,2|2,0,0]=4 7201 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100000765925_100020643023 [0,0,0,0,0,2|2,0,0]=4 7202 B10R0.78 C=C(C)CNC(=O)NCCC 2708a_100020643023_100000765925 [0,0,0,0,0,2|2,0,0]=4 7203 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100000765925_100020643023 [0,0,0,0,0,2|2,0,0]=4 7204 B10R0.78 C=C(C)CNC(=O)NCCC 273464a_100020643023_100000765925 [0,0,0,0,0,2|2,0,0]=4 7205 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100000765925_100020643023 [0,0,0,0,0,2|2,0,0]=4 7206 B10R0.78 C=C(C)CNC(=O)NCCC 512a_100020643023_100000765925 [0,0,0,0,0,2|2,0,0]=4 7207 B10R0.78 C=CCCC(=O)CNC(=O)C 1458a_100000194580_100000754431 [0,0,0,0,0,2|0,0,2]=4 7208 B10R0.78 C=CCCC(=O)COC(=O)C 1458a_100000183556_100000754431 [0,0,0,0,0,2|0,0,2]=4 7209 B10R0.78 C=CCCC(=O)CSC(=O)C 1458a_100000049016_100000754431 [0,0,0,0,0,2|0,0,2]=4 7210 B10R0.78 C=CCCC(=O)NNC(=O)C 22a_100000189765_100000749702 [0,0,0,0,0,2|0,0,2]=4 7211 B10R0.78 CC#CCC(=O)CNC(=O)C 1458a_100000194580_100000748600 [0,0,0,0,0,2|0,0,2]=4 7212 B10R0.78 CC#CCC(=O)COC(=O)C 1458a_100000183556_100000748600 [0,0,0,0,0,2|0,0,2]=4 7213 B10R0.78 CC#CCC(=O)CSC(=O)C 1458a_100000049016_100000748600 [0,0,0,0,0,2|0,0,2]=4 7214 B10R0.78 CC(=CCC(=O)CCCF)C 1458a_100011220947_100011934791 [0,0,0,0,0,2|2,0,0]=4 7215 B10R0.78 CC(=CCC(=O)CCCO)C 1458a_100011220947_100011215043 [0,0,0,0,0,2|2,0,0]=4 7216 B10R0.78 CC(=O)NCC(=O)CCC#N 1458a_100000194580_100011215226 [0,0,0,0,0,2|1,0,1]=4 7217 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,0,0,0,0,2|1,0,0]=3 7218 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,0,0,0,0,2|1,0,0]=3 7219 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000724931_100000194580 [0,0,0,0,0,2|2,0,0]=4 7220 B10R0.78 CC(=O)NCC(=O)NCCF 11a_100000725713_100015343762 [0,0,0,0,0,2|2,0,0]=4 7221 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000724931_100000194580 [0,0,0,0,0,2|2,0,0]=4 7222 B10R0.78 CC(=O)NCC(=O)NCCF 1626a_100000725713_100015343762 [0,0,0,0,0,2|2,0,0]=4 7223 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000724931_100000194580 [0,0,0,0,0,2|2,0,0]=4 7224 B10R0.78 CC(=O)NCC(=O)NCCF 240690a_100000725713_100015343762 [0,0,0,0,0,2|2,0,0]=4 7225 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000724931_100000194580 [0,0,0,0,0,2|2,0,0]=4 7226 B10R0.78 CC(=O)NCC(=O)NCCF 527a_100000725713_100103153847 [0,0,0,0,0,2|2,0,0]=4 7227 B10R0.78 CC(=O)NCC(=O)NCCO 240690a_100000210304_100000194580 [0,0,0,0,0,2|2,0,0]=4 7228 B10R0.78 CC(=O)NCC(=O)NCCO 527a_100000210304_100000194580 [0,0,0,0,0,2|2,0,0]=4 7229 B10R0.78 CC(=O)NN=C(C)CCCO 4a_100000189765_100000759063 [0,0,0,0,0,2|2,0,0]=4 7230 B10R0.78 CC(=O)NNC(=O)CCC#N 22a_100000189765_100011934036 [0,0,0,0,0,2|1,0,1]=4 7231 B10R0.78 CC(=O)NNC(=O)CSCF 62a_100000181415_100015361967 [0,0,0,0,0,2|2,0,0]=4 7232 B10R0.78 CC(=O)NNC(=O)CSCF 62a_100015361967_100000181415 [0,0,0,0,0,2|2,0,0]=4 7233 B10R0.78 CC(=O)NNC(=O)NCCF 273464a_100000724931_100000189765 [0,0,0,0,0,2|2,0,0]=4 7234 B10R0.78 CC(=O)NNC(=O)NCCF 512a_100000189765_100000724931 [0,0,0,0,0,2|2,0,0]=4 7235 B10R0.78 CC(=O)NNC(=O)NCCO 273464a_100000210304_100000189765 [0,0,0,0,0,2|2,0,0]=4 7236 B10R0.78 CC(=O)NNC(=O)NCCO 512a_100000189765_100000210304 [0,0,0,0,0,2|2,0,0]=4 7237 B10R0.78 CC(=O)OCC(=O)CCC#N 1458a_100000183556_100011215226 [0,0,0,0,0,2|1,0,1]=4 7238 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,0,0,0,0,2|1,0,0]=3 7239 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,0,0,0,0,2|1,0,0]=3 7240 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100000036994_100015361967 [0,0,0,0,0,2|2,0,0]=4 7241 B10R0.78 CC(=O)OCC(=O)CSCF 62a_100015361967_100000036994 [0,0,0,0,0,2|2,0,0]=4 7242 B10R0.78 CC(=O)OCC(=O)NCCF 1626a_100000724931_100000183556 [0,0,0,0,0,2|2,0,0]=4 7243 B10R0.78 CC(=O)OCC(=O)NCCF 240690a_100000724931_100000183556 [0,0,0,0,0,2|2,0,0]=4 7244 B10R0.78 CC(=O)OCC(=O)NCCF 527a_100000724931_100000183556 [0,0,0,0,0,2|2,0,0]=4 7245 B10R0.78 CC(=O)OCC(=O)NCCO 240690a_100000210304_100000183556 [0,0,0,0,0,2|2,0,0]=4 7246 B10R0.78 CC(=O)OCC(=O)NCCO 527a_100000210304_100000183556 [0,0,0,0,0,2|2,0,0]=4 7247 B10R0.78 CC(=O)SCC(=O)CCC#N 1458a_100000049016_100011215226 [0,0,0,0,0,2|1,0,1]=4 7248 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,0,0,0,0,2|1,0,0]=3 7249 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,0,0,0,0,2|1,0,0]=3 7250 B10R0.78 CC(=O)SCC(=O)NCCF 11a_100000724931_100000049016 [0,0,0,0,0,2|2,0,0]=4 7251 B10R0.78 CC(=O)SCC(=O)NCCF 1626a_100000724931_100000049016 [0,0,0,0,0,2|2,0,0]=4 7252 B10R0.78 CC(=O)SCC(=O)NCCF 240690a_100000724931_100000049016 [0,0,0,0,0,2|2,0,0]=4 7253 B10R0.78 CC(=O)SCC(=O)NCCO 240690a_100000210304_100000049016 [0,0,0,0,0,2|2,0,0]=4 7254 B10R0.78 CC=CCC(=O)CNC(=O)C 1458a_100000194580_100000070051 [0,0,0,0,0,2|0,0,2]=4 7255 B10R0.78 CC=CCC(=O)COC(=O)C 1458a_100000183556_100000070051 [0,0,0,0,0,2|0,0,2]=4 7256 B10R0.78 CC=CCC(=O)CSC(=O)C 1458a_100000049016_100000070051 [0,0,0,0,0,2|0,0,2]=4 7257 B10R0.78 CC=CCC(=O)NNC(=O)C 22a_100000189765_100121576822 [0,0,0,0,0,2|0,0,2]=4 7258 B10R0.78 CCC#CC(=O)NNC(=O)C 22a_100000189765_100011827653 [0,0,0,0,0,2|0,0,2]=4 7259 B10R0.78 CCC=CC(=O)NNC(=O)C 22a_100000189765_100000212282 [0,0,0,0,0,2|0,0,2]=4 7260 B10R0.78 CCCCC(=NNC(=O)C)C 4a_100000189765_100000210087 [0,0,0,0,0,2|1,0,0]=3 7261 B10R0.78 CCCCC(=O)C=CC(C)C 1458a_100016268746_100000210211 [0,0,0,0,0,2|1,0,1]=4 7262 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100000210183_100000761012 [0,0,0,0,0,2|1,0,0]=3 7263 B10R0.78 CCCCC(=O)CC=C(C)C 1458a_100011220947_100000210211 [0,0,0,0,0,2|1,0,0]=3 7264 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,0,0,0,0,2|1,0,0]=3 7265 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000181311_100000210211 [0,0,0,0,0,2|1,0,1]=4 7266 B10R0.78 CCCCC(=O)CCC(C)C 1458a_100000210183_100000210312 [0,0,0,0,0,2|1,0,1]=4 7267 B10R0.78 CCCCC(=O)CCC(C)O 1458a_100000210183_100012276601 [0,0,0,0,0,2|0,0,2]=4 7268 B10R0.78 CCCCC(=O)CC[N+](=O)[O-] 1458a_200000064761_100000210211 [0,0,0,0,0,2|2,0,0]=4 7269 B10R0.78 CCCCC(=O)CC[S+](C)C 1458a_100009452791_100000210211 [0,0,0,0,0,2|2,0,0]=4 7270 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,0,0,0,0,2|0,0,0]=2 7271 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,0,0,0,0,2|1,0,0]=3 7272 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,0,0,0,0,2|0,0,0]=2 7273 B10R0.78 CCCCC(=O)COC(C)C 1458a_100000745533_100000210211 [0,0,0,0,0,2|1,0,1]=4 7274 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,0,0,0,0,2|0,0,0]=2 7275 B10R0.78 CCCCC(=O)CSC(C)C 1458a_100000241585_100000210211 [0,0,0,0,0,2|1,0,1]=4 7276 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,0,0,0,0,2|1,0,0]=3 7277 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,0,0,0,0,2|1,0,0]=3 7278 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,0,0,0,0,2|1,0,0]=3 7279 B10R0.78 CCCCC(=O)NCC(C)C 11a_100000210953_100000210183 [0,0,0,0,0,2|1,0,1]=4 7280 B10R0.78 CCCCC(=O)NCC(C)C 1626a_100000210953_100000210183 [0,0,0,0,0,2|1,0,1]=4 7281 B10R0.78 CCCCC(=O)NCC(C)C 240690a_100000210953_100000210183 [0,0,0,0,0,2|1,0,1]=4 7282 B10R0.78 CCCCC(=O)NCC(C)C 527a_100000210953_100000210183 [0,0,0,0,0,2|1,0,1]=4 7283 B10R0.78 CCCCC(=O)NCC(C)O 11a_100000210904_100000210183 [0,0,0,0,0,2|0,0,2]=4 7284 B10R0.78 CCCCC(=O)NCC(C)O 240690a_100000210904_100000210183 [0,0,0,0,0,2|0,0,2]=4 7285 B10R0.78 CCCCC(=O)NCC(C)O 527a_100000210904_100000210183 [0,0,0,0,0,2|0,0,2]=4 7286 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,0,0,0,0,2|0,0,0]=2 7287 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,0,0,0,0,2|0,0,0]=2 7288 B10R0.78 CCCCC(=O)NNC(C)C 22a_100000741168_100000210183 [0,0,0,0,0,2|1,0,1]=4 7289 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [0,0,0,0,0,2|1,0,1]=4 7290 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [0,0,0,0,0,2|1,0,1]=4 7291 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [0,0,0,0,0,2|1,0,1]=4 7292 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [0,0,0,0,0,2|2,0,0]=4 7293 B10R0.78 CCCCN(C)COC(=O)C 269982a_100000207549_100000076356 [0,0,0,0,0,2|2,0,0]=4 7294 B10R0.78 CCCNC(=O)CC=C(C)C 11a_100020643023_100011220947 [0,0,0,0,0,2|2,0,0]=4 7295 B10R0.78 CCCNC(=O)CC=C(C)C 1626a_100020643023_100011220947 [0,0,0,0,0,2|2,0,0]=4 7296 B10R0.78 CCCNC(=O)CC=C(C)C 240690a_100020643023_100011220947 [0,0,0,0,0,2|2,0,0]=4 7297 B10R0.78 CCCNC(=O)CC=C(C)C 527a_100020643023_100011220947 [0,0,0,0,0,2|2,0,0]=4 7298 B10R0.78 CCCNC(=O)CCC(=O)C 1458a_100000199543_200000210301 [0,0,0,0,0,2|1,0,0]=3 7299 B10R0.78 CCCNC(=O)CCC(=O)N 240690a_100020643023_100011215257 [0,0,0,0,0,2|2,0,0]=4 7300 B10R0.78 CCCNC(=O)CCC(=O)N 527a_100020643023_100011215257 [0,0,0,0,0,2|2,0,0]=4 7301 B10R0.78 CCCNC(=O)CCC(=O)[13CH3] 1458a_100000199543_200025704644 [0,0,0,0,0,2|1,0,0]=3 7302 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100000174927_100015343762 [0,0,0,0,0,2|1,0,0]=3 7303 B10R0.78 CCCNC(=O)CNC(=O)C 11a_100020643023_100000194580 [0,0,0,0,0,2|1,0,0]=3 7304 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100000174927_100015343762 [0,0,0,0,0,2|1,0,0]=3 7305 B10R0.78 CCCNC(=O)CNC(=O)C 1626a_100020643023_100000194580 [0,0,0,0,0,2|1,0,0]=3 7306 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100000174927_100015343762 [0,0,0,0,0,2|1,0,0]=3 7307 B10R0.78 CCCNC(=O)CNC(=O)C 240690a_100020643023_100000194580 [0,0,0,0,0,2|1,0,0]=3 7308 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100000174927_100103153847 [0,0,0,0,0,2|1,0,0]=3 7309 B10R0.78 CCCNC(=O)CNC(=O)C 527a_100020643023_100000194580 [0,0,0,0,0,2|1,0,0]=3 7310 B10R0.78 CCCNC(=O)CNC(=O)N 240690a_100020643023_100000184981 [0,0,0,0,0,2|2,0,0]=4 7311 B10R0.78 CCCNC(=O)CNC(=O)N 527a_100020643023_100000184981 [0,0,0,0,0,2|2,0,0]=4 7312 B10R0.78 CCCNC(=O)COC(=O)C 1626a_100020643023_100000183556 [0,0,0,0,0,2|1,0,0]=3 7313 B10R0.78 CCCNC(=O)COC(=O)C 240690a_100020643023_100000183556 [0,0,0,0,0,2|1,0,0]=3 7314 B10R0.78 CCCNC(=O)COC(=O)C 527a_100020643023_100000183556 [0,0,0,0,0,2|1,0,0]=3 7315 B10R0.78 CCCNC(=O)CSC(=O)C 11a_100020643023_100000049016 [0,0,0,0,0,2|1,0,0]=3 7316 B10R0.78 CCCNC(=O)CSC(=O)C 1626a_100020643023_100000049016 [0,0,0,0,0,2|1,0,0]=3 7317 B10R0.78 CCCNC(=O)CSC(=O)C 240690a_100020643023_100000049016 [0,0,0,0,0,2|1,0,0]=3 7318 B10R0.78 CCCNC(=O)CSC(=O)N 240690a_100020643023_200015941356 [0,0,0,0,0,2|2,0,0]=4 7319 B10R0.78 CCCNC(=O)NCC(=O)N 2708a_100020643023_100000711301 [0,0,0,0,0,2|2,0,0]=4 7320 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100000711301_100020643023 [0,0,0,0,0,2|2,0,0]=4 7321 B10R0.78 CCCNC(=O)NCC(=O)N 273464a_100020643023_100000711301 [0,0,0,0,0,2|2,0,0]=4 7322 B10R0.78 CCCNC(=O)NCC(=O)N 512a_100020643023_100000711301 [0,0,0,0,0,2|2,0,0]=4 7323 B10R0.78 CCCNC(=O)NNC(=O)C 273464a_100020643023_100000189765 [0,0,0,0,0,2|1,0,0]=3 7324 B10R0.78 CCCNC(=O)NNC(=O)C 512a_100000189765_100020643023 [0,0,0,0,0,2|1,0,0]=3 7325 B10R0.78 CCCOC(=O)OCC(=O)C 1458a_100000070787_200000139673 [0,0,0,0,0,2|1,0,0]=3 7326 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,0,0,0,0,2|2,0,0]=4 7327 B10R0.78 CCNCC(=O)NNC(=O)C 2230a_100015525214_100000181415 [0,0,0,0,0,2|1,0,0]=3 7328 B10R0.78 CCNNC(=O)CNC(=O)C 22a_100000756455_100000194580 [0,0,0,0,0,2|2,0,0]=4 7329 B10R0.78 CCNNC(=O)COC(=O)C 22a_100000756455_100000183556 [0,0,0,0,0,2|2,0,0]=4 7330 B10R0.78 CCNNC(=O)NNC(=O)C 512a_100000189765_100000756455 [0,0,0,0,0,2|2,0,0]=4 7331 B10R0.78 CCOCC(=O)CC=C(C)C 1458a_100000211967_100000761012 [0,0,0,0,0,2|2,0,0]=4 7332 B10R0.78 CCOCC(=O)COC(=O)C 34a_100121572206_100000036994 [0,0,0,0,0,2|1,0,0]=3 7333 B10R0.78 CCOCC(=O)NCC(=O)N 11a_100000711301_100000211967 [0,0,0,0,0,2|2,0,0]=4 7334 B10R0.78 CCOCC(=O)NCC(=O)N 240690a_100000711301_100000211967 [0,0,0,0,0,2|2,0,0]=4 7335 B10R0.78 CCOCC(=O)NCC(=O)N 527a_100000711301_100000211967 [0,0,0,0,0,2|2,0,0]=4 7336 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000189765_100000211967 [0,0,0,0,0,2|1,0,0]=3 7337 B10R0.78 CCOCC(=O)NNC(=O)C 22a_100000216846_100000070787 [0,0,0,0,0,2|1,0,0]=3 7338 B10R0.78 CCSCC(=NNC(=O)C)C 4a_100000189765_200011216171 [0,0,0,0,0,2|2,0,0]=4 7339 B10R0.78 CCSCC(=O)CC=C(C)C 1458a_100000230394_100000761012 [0,0,0,0,0,2|2,0,0]=4 7340 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000036994_100000210202 [0,0,0,0,0,2|1,0,0]=3 7341 B10R0.78 CCSCC(=O)COC(=O)C 62a_100000210202_100000036994 [0,0,0,0,0,2|1,0,0]=3 7342 B10R0.78 CCSCC(=O)NCC(=O)N 11a_100000711301_100000230394 [0,0,0,0,0,2|2,0,0]=4 7343 B10R0.78 CCSCC(=O)NCC(=O)N 240690a_100000711301_100000230394 [0,0,0,0,0,2|2,0,0]=4 7344 B10R0.78 CCSCC(=O)NCC(=O)N 527a_100000711301_100000230394 [0,0,0,0,0,2|2,0,0]=4 7345 B10R0.78 CCSCC(=O)NNC(=O)C 22a_100000189765_100000230394 [0,0,0,0,0,2|1,0,0]=3 7346 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000181415_100000210202 [0,0,0,0,0,2|1,0,0]=3 7347 B10R0.78 CCSCC(=O)NNC(=O)C 62a_100000210202_100000181415 [0,0,0,0,0,2|1,0,0]=3 7348 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,0,0,0,0,2|2,0,0]=4 7349 B10R0.78 COCCC(=NNC(=O)C)C 4a_100000189765_100000742357 [0,0,0,0,0,2|2,0,0]=4 7350 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100000749529_100000761012 [0,0,0,0,0,2|2,0,0]=4 7351 B10R0.78 COCCC(=O)CC=C(C)C 1458a_100011220947_100000233755 [0,0,0,0,0,2|2,0,0]=4 7352 B10R0.78 COCCC(=O)CCC(=O)N 1458a_100011215257_100000233755 [0,0,0,0,0,2|2,0,0]=4 7353 B10R0.78 COCCC(=O)CNC(=O)C 1458a_100000194580_100000233755 [0,0,0,0,0,2|1,0,0]=3 7354 B10R0.78 COCCC(=O)CNC(=O)N 1458a_100000184981_100000233755 [0,0,0,0,0,2|2,0,0]=4 7355 B10R0.78 COCCC(=O)COC(=O)C 1458a_100000183556_100000233755 [0,0,0,0,0,2|1,0,0]=3 7356 B10R0.78 COCCC(=O)CSC(=O)C 1458a_100000049016_100000233755 [0,0,0,0,0,2|1,0,0]=3 7357 B10R0.78 COCCC(=O)NCC(=O)N 11a_100000711301_100000749529 [0,0,0,0,0,2|2,0,0]=4 7358 B10R0.78 COCCC(=O)NCC(=O)N 240690a_100000711301_100000749529 [0,0,0,0,0,2|2,0,0]=4 7359 B10R0.78 COCCC(=O)NCC(=O)N 527a_100000711301_100000749529 [0,0,0,0,0,2|2,0,0]=4 7360 B10R0.78 COCCC(=O)NNC(=O)C 22a_100000189765_100000749529 [0,0,0,0,0,2|1,0,0]=3 7361 B10R0.78 COCCC(=O)NNC(=O)C 22a_100011260505_100000070787 [0,0,0,0,0,2|1,0,0]=3 7362 B10R0.78 CSCCC(=NNC(=O)C)C 4a_100000189765_100011217047 [0,0,0,0,0,2|2,0,0]=4 7363 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100000174002_100000761012 [0,0,0,0,0,2|2,0,0]=4 7364 B10R0.78 CSCCC(=O)CC=C(C)C 1458a_100011220947_100000751147 [0,0,0,0,0,2|2,0,0]=4 7365 B10R0.78 CSCCC(=O)CCC(=O)N 1458a_100011215257_100000751147 [0,0,0,0,0,2|2,0,0]=4 7366 B10R0.78 CSCCC(=O)CNC(=O)C 1458a_100000194580_100000751147 [0,0,0,0,0,2|1,0,0]=3 7367 B10R0.78 CSCCC(=O)CNC(=O)N 1458a_100000184981_100000751147 [0,0,0,0,0,2|2,0,0]=4 7368 B10R0.78 CSCCC(=O)COC(=O)C 1458a_100000183556_100000751147 [0,0,0,0,0,2|1,0,0]=3 7369 B10R0.78 CSCCC(=O)CSC(=O)C 1458a_100000049016_100000751147 [0,0,0,0,0,2|1,0,0]=3 7370 B10R0.78 CSCCC(=O)NCC(=O)N 11a_100000711301_100000174002 [0,0,0,0,0,2|2,0,0]=4 7371 B10R0.78 CSCCC(=O)NCC(=O)N 240690a_100000711301_100000174002 [0,0,0,0,0,2|2,0,0]=4 7372 B10R0.78 CSCCC(=O)NCC(=O)N 527a_100000711301_100000174002 [0,0,0,0,0,2|2,0,0]=4 7373 B10R0.78 CSCCC(=O)NNC(=O)C 22a_100000189765_100000174002 [0,0,0,0,0,2|1,0,0]=3 7374 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,0,0,0,0,2|2,0,0]=4 7375 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,0,0,0,0,2|2,0,0]=4 7376 B10R0.78 NC(=O)NCC(=O)CCCF 1458a_100000184981_100011934791 [0,0,0,0,0,2|2,0,0]=4 7377 B10R0.78 NC(=O)NCC(=O)CCCO 1458a_100000184981_100011215043 [0,0,0,0,0,2|2,0,0]=4 7378 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,0,0,0,0,2|2,0,0]=4