0 B8R0.8 C#CCCC(=O)C(=C)C 1458a_100000185857_100000753159 [0,0,0,0,0,0|3,0,1]=4 1 B8R0.8 C#CCCC(=O)C(O)O 1458a_100000233687_100000753159 [0,0,0,0,0,0|1,0,3]=4 2 B8R0.8 C#CCCC(=O)[C@@H](C)O 1458a_100000717761_100000753159 [0,0,0,0,0,0|2,0,2]=4 3 B8R0.8 C#CCCC(=O)[C@H](C)O 1458a_217856618621_100000753159 [0,0,0,0,0,0|2,0,2]=4 4 B8R0.8 C#CCNC(=O)C(=O)N 240690a_100000212058_100011215815 [0,0,0,0,0,0|3,0,1]=4 5 B8R0.8 C=C(Br)C(=O)NCCC 11a_100020643023_100009813364 [0,0,0,0,0,0|4,0,0]=4 6 B8R0.8 C=C(Br)C(=O)NCCC 1626a_100020643023_100009813364 [0,0,0,0,0,0|4,0,0]=4 7 B8R0.8 C=C(Br)C(=O)NCCF 11a_100000724931_100009813364 [0,0,0,0,0,0|4,0,0]=4 8 B8R0.8 C=C(Br)C(=O)NCCF 1626a_100000724931_100009813364 [0,0,0,0,0,0|4,0,0]=4 9 B8R0.8 C=C(C)C(=O)CCC#N 1458a_100000185857_100011215226 [0,0,0,0,0,0|2,0,2]=4 10 B8R0.8 C=C(C)C(=O)CCCC 1458a_100000185857_100000210211 [0,0,0,0,0,0|3,0,0]=3 11 B8R0.8 C=C(C)C(=O)CCCF 1458a_100000185857_100011934791 [0,0,0,0,0,0|3,0,0]=3 12 B8R0.8 C=C(C)C(=O)CCCO 1458a_100000185857_100011215043 [0,0,0,0,0,0|3,0,0]=3 13 B8R0.8 C=C(C)C(=O)CCOC 1458a_100000185857_100000233755 [0,0,0,0,0,0|4,0,0]=4 14 B8R0.8 C=C(C)C(=O)CCSC 1458a_100000185857_100000751147 [0,0,0,0,0,0|4,0,0]=4 15 B8R0.8 C=C(C)C(=O)NCCC 11a_100020643023_100000185857 [0,0,0,0,0,0|4,0,0]=4 16 B8R0.8 C=C(C)C(=O)NCCC 1626a_100020643023_100000185857 [0,0,0,0,0,0|4,0,0]=4 17 B8R0.8 C=C(C)C(=O)NCCF 11a_100000724931_100000185857 [0,0,0,0,0,0|4,0,0]=4 18 B8R0.8 C=C(C)C(=O)NCCF 1626a_100000724931_100000185857 [0,0,0,0,0,0|4,0,0]=4 19 B8R0.8 C=C(Cl)C(=O)NCCC 11a_100020643023_100000039160 [0,0,0,0,0,0|4,0,0]=4 20 B8R0.8 C=C(Cl)C(=O)NCCC 1626a_100020643023_100000039160 [0,0,0,0,0,0|4,0,0]=4 21 B8R0.8 C=C(Cl)C(=O)NCCF 11a_100000724931_100000039160 [0,0,0,0,0,0|4,0,0]=4 22 B8R0.8 C=C(Cl)C(=O)NCCF 1626a_100000724931_100000039160 [0,0,0,0,0,0|4,0,0]=4 23 B8R0.8 C=C(F)C(=O)NCCC 11a_100020643023_100000036797 [0,0,0,0,0,0|4,0,0]=4 24 B8R0.8 C=C(F)C(=O)NCCC 1626a_100020643023_100000036797 [0,0,0,0,0,0|4,0,0]=4 25 B8R0.8 C=C(F)C(=O)NCCF 11a_100000724931_100000036797 [0,0,0,0,0,0|4,0,0]=4 26 B8R0.8 C=C(F)C(=O)NCCF 1626a_100000724931_100000036797 [0,0,0,0,0,0|4,0,0]=4 27 B8R0.8 C=CCCC(=O)C(=C)C 1458a_100000185857_100000754431 [0,0,0,0,0,0|3,0,1]=4 28 B8R0.8 C=CCCC(=O)C(O)O 1458a_100000233687_100000754431 [0,0,0,0,0,0|1,0,3]=4 29 B8R0.8 C=CCCC(=O)[C@@H](C)O 1458a_100000717761_100000754431 [0,0,0,0,0,0|2,0,2]=4 30 B8R0.8 C=CCCC(=O)[C@H](C)O 1458a_217856618621_100000754431 [0,0,0,0,0,0|2,0,2]=4 31 B8R0.8 C=CCNC(=O)C(=O)N 240690a_100020586998_100011215815 [0,0,0,0,0,0|3,0,1]=4 32 B8R0.8 CC(=O)C(=O)CSCF 62a_100011261029_100015361967 [0,0,0,0,0,0|3,0,0]=3 33 B8R0.8 CC(=O)C(=O)CSCF 62a_100015361967_100011261029 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.8 CC(=O)N(C)CCCO 240690a_100000213112_100015343762 [0,0,0,0,0,0|4,0,0]=4 35 B8R0.8 CC(=O)N(C)CCCO 527a_100000213112_100103153847 [0,0,0,0,0,0|4,0,0]=4 36 B8R0.8 CC(C)C(=O)CCCF 1458a_100000210198_100011934791 [0,0,0,0,0,0|3,0,1]=4 37 B8R0.8 CC(C)C(=O)CCCO 1458a_100000210198_100011215043 [0,0,0,0,0,0|3,0,1]=4 38 B8R0.8 CC(CNCF)C(=O)O 269956a_100000749485_100015361967 [0,0,0,0,0,0|3,0,1]=4 39 B8R0.8 CC(F)C(=O)CCCF 1458a_100000062450_100011934791 [0,0,0,0,0,0|3,0,1]=4 40 B8R0.8 CC(F)C(=O)CCCO 1458a_100000062450_100011215043 [0,0,0,0,0,0|3,0,1]=4 41 B8R0.8 CC(OCCN)C(=O)N 34a_100000210304_100000702099 [0,0,0,0,0,0|3,0,1]=4 42 B8R0.8 CCC/C=C(\C)/C(=O)C 1458a_200020648666_200000210301 [0,0,0,0,0,0|3,0,1]=4 43 B8R0.8 CCC/C=C(\C)/C(=O)[13CH3] 1458a_200020648666_200025704644 [0,0,0,0,0,0|3,0,1]=4 44 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210183_100000210206 [0,0,0,0,0,0|3,0,1]=4 45 B8R0.8 CCCCC(=O)C(C)C 1458a_100000210198_100000210211 [0,0,0,0,0,0|3,0,1]=4 46 B8R0.8 CCCCC(=O)C(C)F 1458a_100000062450_100000210211 [0,0,0,0,0,0|3,0,1]=4 47 B8R0.8 CCCCC(=O)C(O)O 1458a_100000233687_100000210211 [0,0,0,0,0,0|1,0,2]=3 48 B8R0.8 CCCCC(=O)N(C)C 11a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 49 B8R0.8 CCCCC(=O)N(C)C 1626a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 50 B8R0.8 CCCCC(=O)N(C)C 240690a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 51 B8R0.8 CCCCC(=O)N(C)C 527a_100102631434_100000210183 [0,0,0,0,0,0|4,0,0]=4 52 B8R0.8 CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210211 [0,0,0,0,0,0|2,0,1]=3 53 B8R0.8 CCCCC(=O)[C@H](C)O 1458a_217856618621_100000210211 [0,0,0,0,0,0|2,0,1]=3 54 B8R0.8 CCCCC(C)C(=O)C 1458a_100000070787_200011215066 [0,0,0,0,0,0|3,0,1]=4 55 B8R0.8 CCCCC(C)C(=O)C 1458a_100000725509_200000210301 [0,0,0,0,0,0|3,0,1]=4 56 B8R0.8 CCCCC(C)C(=O)[13CH3] 1458a_100000725509_200025704644 [0,0,0,0,0,0|3,0,1]=4 57 B8R0.8 CCCCC(O)C(=O)C 1458a_100000720857_200000210301 [0,0,0,0,0,0|2,0,2]=4 58 B8R0.8 CCCCC(O)C(=O)[13CH3] 1458a_100000720857_200025704644 [0,0,0,0,0,0|2,0,2]=4 59 B8R0.8 CCCCN(C)C(=O)C 11a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 60 B8R0.8 CCCCN(C)C(=O)C 1626a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 61 B8R0.8 CCCCN(C)C(=O)C 240690a_100000207549_100015343762 [0,0,0,0,0,0|4,0,0]=4 62 B8R0.8 CCCCN(C)C(=O)C 527a_100000207549_100103153847 [0,0,0,0,0,0|4,0,0]=4 63 B8R0.8 CCCNC(=O)C(=O)C 1458a_200011297150_200000210301 [0,0,0,0,0,0|3,0,0]=3 64 B8R0.8 CCCNC(=O)C(=O)N 240690a_100020643023_100011215815 [0,0,0,0,0,0|3,0,0]=3 65 B8R0.8 CCCNC(=O)C(=O)[13CH3] 1458a_200011297150_200025704644 [0,0,0,0,0,0|3,0,0]=3 66 B8R0.8 CCCNC(=O)C(O)O 240690a_100020643023_100000233687 [0,0,0,0,0,0|2,0,2]=4 67 B8R0.8 CCCNC(=O)[C@@H](C)O 240690a_100020643023_100000717761 [0,0,0,0,0,0|3,0,1]=4 68 B8R0.8 CCCNC(=O)[C@H](C)O 1626a_100020643023_217856618621 [0,0,0,0,0,0|3,0,1]=4 69 B8R0.8 CCCNC(=O)[C@H](C)O 240690a_100020643023_217856618621 [0,0,0,0,0,0|3,0,1]=4 70 B8R0.8 CCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210207 [0,0,0,0,0,0|3,0,1]=4 71 B8R0.8 CCNCC(C)C(=O)O 269956a_100000749485_100000210202 [0,0,0,0,0,0|3,0,1]=4 72 B8R0.8 CCNCC(F)C(=O)O 269956a_100000084737_100000210202 [0,0,0,0,0,0|3,0,1]=4 73 B8R0.8 CCNNC(=O)C(=O)N 22a_100000756455_100011215815 [0,0,0,0,0,0|4,0,0]=4 74 B8R0.8 CCOCC(=O)C(=O)C 34a_100121572206_100011261029 [0,0,0,0,0,0|3,0,0]=3 75 B8R0.8 CCSCC(=O)C(=O)C 62a_100000210202_100011261029 [0,0,0,0,0,0|3,0,0]=3 76 B8R0.8 CCSCC(=O)C(=O)C 62a_100011261029_100000210202 [0,0,0,0,0,0|3,0,0]=3 77 B8R0.8 COCCC(=O)C(O)O 1458a_100000233687_100000233755 [0,0,0,0,0,0|2,0,2]=4 78 B8R0.8 COCCC(=O)[C@@H](C)O 1458a_100000717761_100000233755 [0,0,0,0,0,0|3,0,1]=4 79 B8R0.8 COCCC(=O)[C@H](C)O 1458a_217856618621_100000233755 [0,0,0,0,0,0|3,0,1]=4 80 B8R0.8 CSCCC(=O)C(O)O 1458a_100000233687_100000751147 [0,0,0,0,0,0|2,0,2]=4 81 B8R0.8 CSCCC(=O)[C@@H](C)O 1458a_100000717761_100000751147 [0,0,0,0,0,0|3,0,1]=4 82 B8R0.8 CSCCC(=O)[C@H](C)O 1458a_217856618621_100000751147 [0,0,0,0,0,0|3,0,1]=4 83 B8R0.8 C[C@@H](O)C(=O)CCC#N 1458a_100000717761_100011215226 [0,0,0,0,0,0|1,0,3]=4 84 B8R0.8 C[C@@H](O)C(=O)CCCF 1458a_100000717761_100011934791 [0,0,0,0,0,0|2,0,1]=3 85 B8R0.8 C[C@@H](O)C(=O)CCCO 1458a_100000717761_100011215043 [0,0,0,0,0,0|2,0,1]=3 86 B8R0.8 C[C@@H](O)C(=O)NCCF 240690a_100000724931_100000717761 [0,0,0,0,0,0|3,0,1]=4 87 B8R0.8 C[C@@H](O)C(=O)NCCO 240690a_100000210304_100000717761 [0,0,0,0,0,0|3,0,1]=4 88 B8R0.8 C[C@H](NCCF)C(=O)O 269956a_100000743915_100011217306 [0,0,0,0,0,0|3,0,1]=4 89 B8R0.8 C[C@H](NCCO)C(=O)O 269956a_100000743915_100000211926 [0,0,0,0,0,0|3,0,1]=4 90 B8R0.8 C[C@H](O)C(=O)CCC#N 1458a_217856618621_100011215226 [0,0,0,0,0,0|1,0,3]=4 91 B8R0.8 C[C@H](O)C(=O)CCCF 1458a_217856618621_100011934791 [0,0,0,0,0,0|2,0,1]=3 92 B8R0.8 C[C@H](O)C(=O)CCCO 1458a_217856618621_100011215043 [0,0,0,0,0,0|2,0,1]=3 93 B8R0.8 C[C@H](O)C(=O)NCCF 1626a_100000724931_217856618621 [0,0,0,0,0,0|3,0,1]=4 94 B8R0.8 C[C@H](O)C(=O)NCCF 240690a_100000724931_217856618621 [0,0,0,0,0,0|3,0,1]=4 95 B8R0.8 C[C@H](O)C(=O)NCCO 240690a_100000210304_217856618621 [0,0,0,0,0,0|3,0,1]=4 96 B8R0.8 N#CCCC(=O)C(O)O 1458a_100000233687_100011215226 [0,0,0,0,0,0|0,0,4]=4 97 B8R0.8 NC(=O)C(=O)NCCF 240690a_100000724931_100011215815 [0,0,0,0,0,0|3,0,0]=3 98 B8R0.8 NC(=O)C(=O)NCCO 240690a_100000210304_100011215815 [0,0,0,0,0,0|3,0,0]=3 99 B8R0.8 NCCOC(F)C(=O)N 34a_100000210304_100009813875 [0,0,0,0,0,0|3,0,1]=4 100 B8R0.8 NCCOC(F)C(=O)[O-] 34a_100000210304_100020610796 [0,0,0,0,0,0|2,0,2]=4 101 B8R0.8 O=C(CCCF)C(O)O 1458a_100000233687_100011934791 [0,0,0,0,0,0|1,0,2]=3 102 B8R0.8 O=C(CCCO)C(O)O 1458a_100000233687_100011215043 [0,0,0,0,0,0|1,0,2]=3 103 B8R0.8 O=C(NCCF)C(O)O 240690a_100000724931_100000233687 [0,0,0,0,0,0|2,0,2]=4 104 B8R0.8 O=C(NCCO)C(O)O 240690a_100000210304_100000233687 [0,0,0,0,0,0|2,0,2]=4 105 B8R0.8 O=C(O)C(F)CNCF 269956a_100000084737_100015361967 [0,0,0,0,0,0|3,0,1]=4 106 B7R0.3 C#CC(=O)CCCC 1458a_100000211873_100000210211 [1,0,0,0,0,0|2,0,1]=4 107 B7R0.3 C#CC(=O)CCCF 1458a_100000211873_100011934791 [1,0,0,0,0,0|2,0,1]=4 108 B7R0.3 C#CC(=O)CCCO 1458a_100000211873_100011215043 [1,0,0,0,0,0|2,0,1]=4 109 B7R0.3 C#CCCC(=O)C=C 1458a_100000185746_100000753159 [1,0,0,0,0,0|2,0,1]=4 110 B7R0.3 C#CCCC(=O)CO 1458a_100000210174_100000753159 [1,0,0,0,0,0|1,0,2]=4 111 B7R0.3 C=CC(=O)CCC#N 1458a_100000185746_100011215226 [1,0,0,0,0,0|1,0,2]=4 112 B7R0.3 C=CC(=O)CCCC 1458a_100000185746_100000210211 [1,0,0,0,0,0|2,0,0]=3 113 B7R0.3 C=CC(=O)CCCF 1458a_100000185746_100011934791 [1,0,0,0,0,0|2,0,0]=3 114 B7R0.3 C=CC(=O)CCCO 1458a_100000185746_100011215043 [1,0,0,0,0,0|2,0,0]=3 115 B7R0.3 C=CC(=O)CCOC 1458a_100000185746_100000233755 [1,0,0,0,0,0|3,0,0]=4 116 B7R0.3 C=CC(=O)CCSC 1458a_100000185746_100000751147 [1,0,0,0,0,0|3,0,0]=4 117 B7R0.3 C=CC(=O)NCCC 1626a_100020643023_100000185746 [1,0,0,0,0,0|3,0,0]=4 118 B7R0.3 C=CC(=O)NCCC 240690a_100020643023_200121576911 [1,0,0,0,0,0|3,0,0]=4 119 B7R0.3 C=CC(=O)NCCF 1626a_100000724931_100000185746 [1,0,0,0,0,0|3,0,0]=4 120 B7R0.3 C=CC(=O)NCCF 240690a_100000724931_200121576911 [1,0,0,0,0,0|3,0,0]=4 121 B7R0.3 C=CC(=O)NCCO 240690a_100000210304_200121576911 [1,0,0,0,0,0|3,0,0]=4 122 B7R0.3 C=CCCC(=O)C=C 1458a_100000185746_100000754431 [1,0,0,0,0,0|2,0,1]=4 123 B7R0.3 C=CCCC(=O)CO 1458a_100000210174_100000754431 [1,0,0,0,0,0|1,0,2]=4 124 B7R0.3 CCC(=O)CCCF 1458a_100000210414_100011934791 [1,0,0,0,0,0|2,0,1]=4 125 B7R0.3 CCC(=O)CCCO 1458a_100000210414_100011215043 [1,0,0,0,0,0|2,0,1]=4 126 B7R0.3 CCCCC(=O)CC 1458a_100000210183_100000210202 [1,0,0,0,0,0|2,0,1]=4 127 B7R0.3 CCCCC(=O)CC 1458a_100000210414_100000210211 [1,0,0,0,0,0|2,0,1]=4 128 B7R0.3 CCCCC(=O)CF 1458a_100000210183_100015361967 [1,0,0,0,0,0|2,0,1]=4 129 B7R0.3 CCCCC(=O)CO 1458a_100000210174_100000210211 [1,0,0,0,0,0|1,0,1]=3 130 B7R0.3 CCCCC(=O)NC 11a_106832991635_100000210183 [1,0,0,0,0,0|3,0,0]=4 131 B7R0.3 CCCCC(=O)NC 1626a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 132 B7R0.3 CCCCC(=O)NC 240690a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 133 B7R0.3 CCCCC(=O)NC 527a_100102657272_100000210183 [1,0,0,0,0,0|3,0,0]=4 134 B7R0.3 CCCNC(=O)CO 240690a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 135 B7R0.3 CCCNC(=O)CO 527a_100020643023_100000210174 [1,0,0,0,0,0|2,0,1]=4 136 B7R0.3 COCCC(=O)CO 1458a_100000210174_100000233755 [1,0,0,0,0,0|2,0,1]=4 137 B7R0.3 CSCCC(=O)CO 1458a_100000210174_100000751147 [1,0,0,0,0,0|2,0,1]=4 138 B7R0.3 N#CCCC(=O)CO 1458a_100000210174_100011215226 [1,0,0,0,0,0|0,0,3]=4 139 B7R0.3 O=C(CO)CCCF 1458a_100000210174_100011934791 [1,0,0,0,0,0|1,0,1]=3 140 B7R0.3 O=C(CO)CCCO 1458a_100000210174_100011215043 [1,0,0,0,0,0|1,0,1]=3 141 B7R0.3 O=C(CO)NCCF 240690a_100000724931_100000210174 [1,0,0,0,0,0|2,0,1]=4 142 B7R0.3 O=C(CO)NCCF 527a_100000724931_100000210174 [1,0,0,0,0,0|2,0,1]=4 143 B7R0.3 O=C(CO)NCCO 240690a_100000210304_100000210174 [1,0,0,0,0,0|2,0,1]=4 144 B7R0.3 O=C(CO)NCCO 527a_100000210304_100000210174 [1,0,0,0,0,0|2,0,1]=4 145 B7R0.4 CC(=O)CCCCF 1458a_100000070787_100000729493 [1,0,0,0,0,0|2,0,1]=4 146 B7R0.4 CC(=O)CCCCO 1458a_100000070787_100000210776 [1,0,0,0,0,0|2,0,1]=4 147 B7R0.4 CC(=O)CCCCO 1458a_100000695505_200000210301 [1,0,0,0,0,0|2,0,1]=4 148 B7R0.4 CC(=O)NCCCF 11a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 149 B7R0.4 CC(=O)NCCCF 1626a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 150 B7R0.4 CC(=O)NCCCF 240690a_100015189416_100015343762 [1,0,0,0,0,0|3,0,0]=4 151 B7R0.4 CC(=O)NCCCF 527a_100015189416_100103153847 [1,0,0,0,0,0|3,0,0]=4 152 B7R0.4 CC(=O)NCCCO 240690a_100000182051_100015343762 [1,0,0,0,0,0|3,0,0]=4 153 B7R0.4 CC(=O)NCCCO 527a_100000182051_100103153847 [1,0,0,0,0,0|3,0,0]=4 154 B7R0.4 CCCC=CC(=O)C 1458a_100000212230_200000210301 [1,0,0,0,0,0|2,0,1]=4 155 B7R0.4 CCCC=CC(=O)[13CH3] 1458a_100000212230_200025704644 [1,0,0,0,0,0|2,0,1]=4 156 B7R0.4 CCCCCC(=O)C 1458a_100000070787_100000210326 [1,0,0,0,0,0|2,0,1]=4 157 B7R0.4 CCCCCC(=O)C 1458a_100000212188_200000210301 [1,0,0,0,0,0|2,0,1]=4 158 B7R0.4 CCCCCC(=O)[13CH3] 1458a_100000212188_200025704644 [1,0,0,0,0,0|2,0,1]=4 159 B7R0.4 CCCCNC(=O)C 11a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 160 B7R0.4 CCCCNC(=O)C 1626a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 161 B7R0.4 CCCCNC(=O)C 240690a_100000102301_100015343762 [1,0,0,0,0,0|3,0,0]=4 162 B7R0.4 CCCCNC(=O)C 527a_100000102301_100103153847 [1,0,0,0,0,0|3,0,0]=4 163 B7R0.4 CCCNCC(=O)O 269956a_100016091260_100000210207 [1,0,0,0,0,0|2,0,1]=4 164 B7R0.4 NCCOCC(=O)N 34a_100000210304_100000187820 [1,0,0,0,0,0|2,0,1]=4 165 B7R0.4 NCCOCC(=O)[O-] 34a_100000210304_100020667443 [1,0,0,0,0,0|1,0,2]=4 166 B7R0.4 O=C(O)CNCCF 269956a_100016091260_100011217306 [1,0,0,0,0,0|2,0,1]=4 167 B7R0.4 O=C(O)CNCCO 269956a_100016091260_100000211926 [1,0,0,0,0,0|2,0,1]=4 168 B7R0.4 [13CH3]C(=O)CCCCO 1458a_100000695505_200025704644 [1,0,0,0,0,0|2,0,1]=4 169 B7R0.5 C=C(Br)C(=O)NCC 11a_100015525214_100009813364 [1,0,0,0,0,0|3,0,0]=4 170 B7R0.5 C=C(C)C(=O)CCC 1458a_100000185857_100000210303 [1,0,0,0,0,0|2,0,0]=3 171 B7R0.5 C=C(C)C(=O)CCF 1458a_100000185857_100011217306 [1,0,0,0,0,0|3,0,0]=4 172 B7R0.5 C=C(C)C(=O)CCO 1458a_100000185857_100000211926 [1,0,0,0,0,0|3,0,0]=4 173 B7R0.5 C=C(C)C(=O)NCC 11a_100015525214_100000185857 [1,0,0,0,0,0|3,0,0]=4 174 B7R0.5 C=C(Cl)C(=O)NCC 11a_100015525214_100000039160 [1,0,0,0,0,0|3,0,0]=4 175 B7R0.5 C=C(F)C(=O)NCC 11a_100015525214_100000036797 [1,0,0,0,0,0|3,0,0]=4 176 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_100011261029_200025704644 [1,0,0,0,0,0|2,0,0]=3 177 B7R0.5 CC(=O)C(=O)CS[13CH3] 62a_200025704644_100011261029 [1,0,0,0,0,0|2,0,0]=3 178 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [1,0,0,0,0,0|2,0,1]=4 179 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [1,0,0,0,0,0|2,0,1]=4 180 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [1,0,0,0,0,0|2,0,1]=4 181 B7R0.5 CCCC(=O)C(C)C 1458a_100000210198_100000210303 [1,0,0,0,0,0|2,0,1]=4 182 B7R0.5 CCCC(=O)C(C)C 1458a_100000211992_100000210206 [1,0,0,0,0,0|2,0,1]=4 183 B7R0.5 CCCC(=O)C(C)F 1458a_100000062450_100000210303 [1,0,0,0,0,0|2,0,1]=4 184 B7R0.5 CCCC(=O)C(O)O 1458a_100000233687_100000210303 [1,0,0,0,0,0|0,0,2]=3 185 B7R0.5 CCCC(=O)N(C)C 11a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 186 B7R0.5 CCCC(=O)N(C)C 1626a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 187 B7R0.5 CCCC(=O)N(C)C 240690a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 188 B7R0.5 CCCC(=O)N(C)C 527a_100102631434_100000211992 [1,0,0,0,0,0|3,0,0]=4 189 B7R0.5 CCCC(=O)[C@@H](C)O 1458a_100000717761_100000210303 [1,0,0,0,0,0|1,0,1]=3 190 B7R0.5 CCCC(=O)[C@H](C)O 1458a_217856618621_100000210303 [1,0,0,0,0,0|1,0,1]=3 191 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [1,0,0,0,0,0|2,0,1]=4 192 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [1,0,0,0,0,0|2,0,1]=4 193 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [1,0,0,0,0,0|2,0,1]=4 194 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 195 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 196 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [1,0,0,0,0,0|3,0,0]=4 197 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [1,0,0,0,0,0|3,0,0]=4 198 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [1,0,0,0,0,0|1,0,2]=4 199 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [1,0,0,0,0,0|1,0,2]=4 200 B7R0.5 CCNC(=O)C(=O)C 1458a_200011297158_200000210301 [1,0,0,0,0,0|2,0,0]=3 201 B7R0.5 CCNC(=O)C(=O)N 240690a_100015525214_100011215815 [1,0,0,0,0,0|2,0,0]=3 202 B7R0.5 CCNC(=O)C(=O)[13CH3] 1458a_200011297158_200025704644 [1,0,0,0,0,0|2,0,0]=3 203 B7R0.5 CCNC(=O)C(O)O 240690a_100015525214_100000233687 [1,0,0,0,0,0|1,0,2]=4 204 B7R0.5 CCNC(=O)[C@@H](C)O 240690a_100015525214_100000717761 [1,0,0,0,0,0|2,0,1]=4 205 B7R0.5 CCNC(=O)[C@H](C)O 240690a_100015525214_217856618621 [1,0,0,0,0,0|2,0,1]=4 206 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [1,0,0,0,0,0|2,0,1]=4 207 B7R0.5 CNCC(=O)C(=O)C 34a_100102657272_100011261029 [1,0,0,0,0,0|2,0,0]=3 208 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [1,0,0,0,0,0|2,0,1]=4 209 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [1,0,0,0,0,0|2,0,1]=4 210 B7R0.5 CNNC(=O)C(=O)N 22a_100016993582_100011215815 [1,0,0,0,0,0|3,0,0]=4 211 B7R0.5 COCC(=O)C(=O)C 34a_100138415774_100011261029 [1,0,0,0,0,0|2,0,0]=3 212 B7R0.5 CSCC(=O)C(=O)C 62a_100011261029_200000210301 [1,0,0,0,0,0|2,0,0]=3 213 B7R0.5 CSCC(=O)C(=O)C 62a_200000210301_100011261029 [1,0,0,0,0,0|2,0,0]=3 214 B7R0.5 C[C@@H](O)C(=O)CCF 1458a_100000717761_100011217306 [1,0,0,0,0,0|2,0,1]=4 215 B7R0.5 C[C@@H](O)C(=O)CCO 1458a_100000717761_100000211926 [1,0,0,0,0,0|2,0,1]=4 216 B7R0.5 C[C@H](O)C(=O)CCF 1458a_217856618621_100011217306 [1,0,0,0,0,0|2,0,1]=4 217 B7R0.5 C[C@H](O)C(=O)CCO 1458a_217856618621_100000211926 [1,0,0,0,0,0|2,0,1]=4 218 B7R0.5 O=C(CCF)C(O)O 1458a_100000233687_100011217306 [1,0,0,0,0,0|1,0,2]=4 219 B7R0.5 O=C(CCO)C(O)O 1458a_100000233687_100000211926 [1,0,0,0,0,0|1,0,2]=4 220 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [1,0,0,0,0,0|2,0,1]=4 221 B9R0.3 CC(C)(O)C(=O)CCCF 1458a_100000242741_100011934791 [0,1,0,0,0,0|2,0,1]=4 222 B9R0.3 CC(C)(O)C(=O)CCCO 1458a_100000242741_100011215043 [0,1,0,0,0,0|2,0,1]=4 223 B9R0.3 CCCCC(=O)C(C)(C)O 1458a_100000242741_100000210211 [0,1,0,0,0,0|2,0,1]=4 224 B9R0.6 C=C(C)C(=O)C(C)CCC 1458a_100000185857_100000766640 [0,1,0,0,0,0|3,0,0]=4 225 B9R0.6 C=C(C)C(=O)C(C)CCO 1458a_100000185857_100009893172 [0,1,0,0,0,0|3,0,0]=4 226 B9R0.6 CC(CCO)C(=O)C(O)O 1458a_100000233687_100009893172 [0,1,0,0,0,0|1,0,2]=4 227 B9R0.6 CC(CCO)C(=O)[C@@H](C)O 1458a_100000717761_100009893172 [0,1,0,0,0,0|2,0,1]=4 228 B9R0.6 CC(CCO)C(=O)[C@H](C)O 1458a_217856618621_100009893172 [0,1,0,0,0,0|2,0,1]=4 229 B9R0.6 CCCC(C)C(=O)C(O)O 1458a_100000233687_100000766640 [0,1,0,0,0,0|1,0,2]=4 230 B9R0.6 CCCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000766640 [0,1,0,0,0,0|2,0,1]=4 231 B9R0.6 CCCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000766640 [0,1,0,0,0,0|2,0,1]=4 232 B9R0.6 CCCN(C)C(=O)C(=O)N 240690a_100000747261_100011215815 [0,1,0,0,0,0|3,0,0]=4 233 B9R0.6 CN(CCO)C(=O)C(=O)N 240690a_100000210263_100011215815 [0,1,0,0,0,0|3,0,0]=4 234 B9R0.7 C=C(C)C(=O)CCC(C)C 1458a_100000185857_100000210312 [0,1,0,0,0,0|3,0,0]=4 235 B9R0.7 C=C(C)C(=O)CCC(C)O 1458a_100000185857_100012276601 [0,1,0,0,0,0|3,0,0]=4 236 B9R0.7 CC(=O)C(=O)CNC(C)C 34a_100138425928_100011261029 [0,1,0,0,0,0|3,0,0]=4 237 B9R0.7 CC(=O)C(=O)COC(C)C 34a_100000212225_100011261029 [0,1,0,0,0,0|3,0,0]=4 238 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100000210206_100011261029 [0,1,0,0,0,0|3,0,0]=4 239 B9R0.7 CC(=O)C(=O)CSC(C)C 62a_100011261029_100000210206 [0,1,0,0,0,0|3,0,0]=4 240 B9R0.7 CC(=O)C(=O)NCC(C)C 1458a_200011297155_200000210301 [0,1,0,0,0,0|3,0,0]=4 241 B9R0.7 CC(C)CCC(=O)C(O)O 1458a_100000233687_100000210312 [0,1,0,0,0,0|1,0,2]=4 242 B9R0.7 CC(C)CCC(=O)[C@@H](C)O 1458a_100000717761_100000210312 [0,1,0,0,0,0|2,0,1]=4 243 B9R0.7 CC(C)CCC(=O)[C@H](C)O 1458a_217856618621_100000210312 [0,1,0,0,0,0|2,0,1]=4 244 B9R0.7 CC(C)CNC(=O)C(=O)N 240690a_100000210953_100011215815 [0,1,0,0,0,0|3,0,0]=4 245 B9R0.7 CC(C)CNC(=O)C(=O)[13CH3] 1458a_200011297155_200025704644 [0,1,0,0,0,0|3,0,0]=4 246 B9R0.7 CC(O)CCC(=O)C(O)O 1458a_100000233687_100012276601 [0,1,0,0,0,0|1,0,2]=4 247 B9R0.7 CC(O)CCC(=O)[C@@H](C)O 1458a_100000717761_100012276601 [0,1,0,0,0,0|2,0,1]=4 248 B9R0.7 CC(O)CCC(=O)[C@H](C)O 1458a_217856618621_100012276601 [0,1,0,0,0,0|2,0,1]=4 249 B9R0.7 CC(O)CNC(=O)C(=O)N 240690a_100000210904_100011215815 [0,1,0,0,0,0|3,0,0]=4 250 B9R0.7 NC(=O)C(=O)NCC(F)F 240690a_100000765723_100011215815 [0,1,0,0,0,0|3,0,0]=4 251 B9R0.7 NC(=O)CNC(=O)C(=O)N 240690a_100000711301_100011215815 [0,1,0,0,0,0|2,0,1]=4 252 B9R0.8 C#CCCC(=O)C(=O)NC 1458a_100011218921_100000753159 [0,1,0,0,0,0|2,0,1]=4 253 B9R0.8 C#CCNC(=O)C(=O)OC 11a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 254 B9R0.8 C#CCNC(=O)C(=O)OC 1626a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 255 B9R0.8 C#CCNC(=O)C(=O)OC 240690a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 256 B9R0.8 C#CCNC(=O)C(=O)OC 527a_100000212058_100000024059 [0,1,0,0,0,0|2,0,1]=4 257 B9R0.8 C/C=C(\C)/C(=O)CCCC 1458a_100020587367_100000210211 [0,1,0,0,0,0|3,0,0]=4 258 B9R0.8 C/C=C(\C)/C(=O)CCCF 1458a_100020587367_100011934791 [0,1,0,0,0,0|3,0,0]=4 259 B9R0.8 C/C=C(\C)/C(=O)CCCO 1458a_100020587367_100011215043 [0,1,0,0,0,0|3,0,0]=4 260 B9R0.8 C=C(COCC)C(=O)OC 34a_100121572206_100009813391 [0,1,0,0,0,0|3,0,0]=4 261 B9R0.8 C=C(CSCC)C(=O)OC 62a_100000210202_100009813391 [0,1,0,0,0,0|3,0,0]=4 262 B9R0.8 C=C(CSCC)C(=O)OC 62a_100009813391_100000210202 [0,1,0,0,0,0|3,0,0]=4 263 B9R0.8 C=C(CSCF)C(=O)OC 62a_100009813391_100015361967 [0,1,0,0,0,0|3,0,0]=4 264 B9R0.8 C=C(CSCF)C(=O)OC 62a_100015361967_100009813391 [0,1,0,0,0,0|3,0,0]=4 265 B9R0.8 C=CCCC(=O)C(=O)NC 1458a_100011218921_100000754431 [0,1,0,0,0,0|2,0,1]=4 266 B9R0.8 C=CCNC(=O)C(=O)OC 1626a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 267 B9R0.8 C=CCNC(=O)C(=O)OC 240690a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 268 B9R0.8 C=CCNC(=O)C(=O)OC 527a_100020586998_100000024059 [0,1,0,0,0,0|2,0,1]=4 269 B9R0.8 CCC(O)C(=O)CCCF 1458a_100011196387_100011934791 [0,1,0,0,0,0|2,0,1]=4 270 B9R0.8 CCC(O)C(=O)CCCO 1458a_100011196387_100011215043 [0,1,0,0,0,0|2,0,1]=4 271 B9R0.8 CCCCC(=O)C(=O)NC 1458a_100011218921_100000210211 [0,1,0,0,0,0|2,0,0]=3 272 B9R0.8 CCCCC(=O)C(C)OC 1458a_100000743197_100000210211 [0,1,0,0,0,0|2,0,1]=4 273 B9R0.8 CCCCC(=O)C(O)CC 1458a_100011196387_100000210211 [0,1,0,0,0,0|2,0,1]=4 274 B9R0.8 CCCCC(=O)C(O)CO 1458a_100011215603_100000210211 [0,1,0,0,0,0|1,0,2]=4 275 B9R0.8 CCCCC(C)C(=O)CO 1458a_100000210174_200011215066 [0,1,0,0,0,0|2,0,1]=4 276 B9R0.8 CCCCN(C)C(=O)CO 240690a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 277 B9R0.8 CCCCN(C)C(=O)CO 527a_100000207549_100000210174 [0,1,0,0,0,0|3,0,0]=4 278 B9R0.8 CCCNC(=O)C(=O)CC 1458a_200011297150_100000210202 [0,1,0,0,0,0|3,0,0]=4 279 B9R0.8 CCCNC(=O)C(=O)CF 1458a_200011297150_100015361967 [0,1,0,0,0,0|3,0,0]=4 280 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 281 B9R0.8 CCCNC(=O)C(=O)NC 1626a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 282 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 283 B9R0.8 CCCNC(=O)C(=O)NC 240690a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 284 B9R0.8 CCCNC(=O)C(=O)NC 527a_100020643023_100011218921 [0,1,0,0,0,0|3,0,0]=4 285 B9R0.8 CCCNC(=O)C(=O)NC 527a_100102657272_200011297150 [0,1,0,0,0,0|3,0,0]=4 286 B9R0.8 CCCNC(=O)C(=O)OC 11a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 287 B9R0.8 CCCNC(=O)C(=O)OC 1626a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 288 B9R0.8 CCCNC(=O)C(=O)OC 240690a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 289 B9R0.8 CCCNC(=O)C(=O)OC 527a_100020643023_100000024059 [0,1,0,0,0,0|2,0,0]=3 290 B9R0.8 CCOCC(=O)C(=O)OC 34a_100121572206_100011610305 [0,1,0,0,0,0|2,0,0]=3 291 B9R0.8 CCSCC(=O)C(=O)OC 62a_100000210202_100011610305 [0,1,0,0,0,0|2,0,0]=3 292 B9R0.8 CCSCC(=O)C(=O)OC 62a_100011610305_100000210202 [0,1,0,0,0,0|2,0,0]=3 293 B9R0.8 CN(CCCO)C(=O)CO 240690a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 294 B9R0.8 CN(CCCO)C(=O)CO 527a_100000213112_100000210174 [0,1,0,0,0,0|3,0,0]=4 295 B9R0.8 CNC(=O)C(=O)CCC#N 1458a_100011218921_100011215226 [0,1,0,0,0,0|1,0,2]=4 296 B9R0.8 CNC(=O)C(=O)CCCF 1458a_100011218921_100011934791 [0,1,0,0,0,0|2,0,0]=3 297 B9R0.8 CNC(=O)C(=O)CCCO 1458a_100011218921_100011215043 [0,1,0,0,0,0|2,0,0]=3 298 B9R0.8 CNC(=O)C(=O)CCOC 1458a_100011218921_100000233755 [0,1,0,0,0,0|3,0,0]=4 299 B9R0.8 CNC(=O)C(=O)CCSC 1458a_100011218921_100000751147 [0,1,0,0,0,0|3,0,0]=4 300 B9R0.8 CNC(=O)C(=O)NCCF 1626a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 301 B9R0.8 CNC(=O)C(=O)NCCF 240690a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 302 B9R0.8 CNC(=O)C(=O)NCCF 527a_100000724931_100011218921 [0,1,0,0,0,0|3,0,0]=4 303 B9R0.8 CNC(=O)C(=O)NCCO 240690a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 304 B9R0.8 CNC(=O)C(=O)NCCO 527a_100000210304_100011218921 [0,1,0,0,0,0|3,0,0]=4 305 B9R0.8 COC(=O)C(=O)CSCF 62a_100011610305_100015361967 [0,1,0,0,0,0|2,0,0]=3 306 B9R0.8 COC(=O)C(=O)CSCF 62a_100015361967_100011610305 [0,1,0,0,0,0|2,0,0]=3 307 B9R0.8 COC(=O)C(=O)NCC#N 1626a_100000734998_100000024059 [0,1,0,0,0,0|1,0,2]=4 308 B9R0.8 COC(=O)C(=O)NCC#N 527a_100000734998_100000024059 [0,1,0,0,0,0|1,0,2]=4 309 B9R0.8 COC(=O)C(=O)NCCF 11a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 310 B9R0.8 COC(=O)C(=O)NCCF 1626a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 311 B9R0.8 COC(=O)C(=O)NCCF 240690a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 312 B9R0.8 COC(=O)C(=O)NCCF 527a_100000724931_100000024059 [0,1,0,0,0,0|2,0,0]=3 313 B9R0.8 COC(=O)C(=O)NCCO 240690a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 314 B9R0.8 COC(=O)C(=O)NCCO 527a_100000210304_100000024059 [0,1,0,0,0,0|2,0,0]=3 315 B9R0.8 COC(=O)C(C)OCCN 34a_100000210304_100000211248 [0,1,0,0,0,0|2,0,1]=4 316 B9R0.8 COC(C)C(=O)CCCF 1458a_100000743197_100011934791 [0,1,0,0,0,0|2,0,1]=4 317 B9R0.8 COC(C)C(=O)CCCO 1458a_100000743197_100011215043 [0,1,0,0,0,0|2,0,1]=4 318 B9R0.8 O=C(CCCF)C(O)CO 1458a_100011215603_100011934791 [0,1,0,0,0,0|1,0,2]=4 319 B9R0.8 O=C(CCCO)C(O)CO 1458a_100011215603_100011215043 [0,1,0,0,0,0|1,0,2]=4 320 B9R0.42 C=C(C)C(=O)CC(C)CC 1458a_100000185857_100000748023 [0,1,0,0,0,0|3,0,0]=4 321 B9R0.42 C=C(C)C(=O)CC(O)CC 1458a_100000185857_100011218378 [0,1,0,0,0,0|3,0,0]=4 322 B9R0.42 C=C(C)C(=O)C[C@@H](C)CC 1458a_100000185857_100009816398 [0,1,0,0,0,0|3,0,0]=4 323 B9R0.42 C=C(C)C(=O)C[C@@H](C)CO 1458a_100000185857_100000059175 [0,1,0,0,0,0|3,0,0]=4 324 B9R0.42 CC(=O)C(=O)CC(=O)CO 1458a_100000210174_100011261029 [0,1,0,0,0,0|2,0,1]=4 325 B9R0.42 CCC(=O)CC(=O)C(=O)C 1458a_100000210414_100011261029 [0,1,0,0,0,0|2,0,1]=4 326 B9R0.42 CCC(C)CC(=O)C(O)O 1458a_100000233687_100000748023 [0,1,0,0,0,0|1,0,2]=4 327 B9R0.42 CCC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000748023 [0,1,0,0,0,0|2,0,1]=4 328 B9R0.42 CCC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000748023 [0,1,0,0,0,0|2,0,1]=4 329 B9R0.42 CCC(C)NC(=O)C(=O)C 1458a_200011297154_200000210301 [0,1,0,0,0,0|3,0,0]=4 330 B9R0.42 CCC(C)NC(=O)C(=O)N 240690a_100000209981_100011215815 [0,1,0,0,0,0|3,0,0]=4 331 B9R0.42 CCC(C)NC(=O)C(=O)[13CH3] 1458a_200011297154_200025704644 [0,1,0,0,0,0|3,0,0]=4 332 B9R0.42 CCC(O)CC(=O)C(O)O 1458a_100000233687_100011218378 [0,1,0,0,0,0|1,0,2]=4 333 B9R0.42 CCC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218378 [0,1,0,0,0,0|2,0,1]=4 334 B9R0.42 CCC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218378 [0,1,0,0,0,0|2,0,1]=4 335 B9R0.42 CCN(C)CC(=O)C(=O)C 269982a_100000225621_100011261029 [0,1,0,0,0,0|3,0,0]=4 336 B9R0.42 CC[C@H](C)CC(=O)C(O)O 1458a_100000233687_100009816398 [0,1,0,0,0,0|1,0,2]=4 337 B9R0.42 CC[C@H](C)CC(=O)[C@@H](C)O 1458a_100000717761_100009816398 [0,1,0,0,0,0|2,0,1]=4 338 B9R0.42 CC[C@H](C)CC(=O)[C@H](C)O 1458a_217856618621_100009816398 [0,1,0,0,0,0|2,0,1]=4 339 B9R0.42 C[C@@H](CO)CC(=O)C(O)O 1458a_100000233687_100000059175 [0,1,0,0,0,0|1,0,2]=4 340 B9R0.42 C[C@@H](CO)CC(=O)[C@@H](C)O 1458a_100000717761_100000059175 [0,1,0,0,0,0|2,0,1]=4 341 B9R0.42 C[C@@H](CO)CC(=O)[C@H](C)O 1458a_217856618621_100000059175 [0,1,0,0,0,0|2,0,1]=4 342 B9R0.42 C[C@H](CF)NC(=O)C(=O)N 240690a_100102880703_100011215815 [0,1,0,0,0,0|3,0,0]=4 343 B9R0.42 C[C@H](CO)NC(=O)C(=O)N 240690a_100000737577_100011215815 [0,1,0,0,0,0|3,0,0]=4 344 B9R0.47 C#CCCCC(=O)C(=C)C 1458a_100000185857_100000731252 [0,1,0,0,0,0|3,0,0]=4 345 B9R0.47 C#CCCCC(=O)C(O)O 1458a_100000233687_100000731252 [0,1,0,0,0,0|1,0,2]=4 346 B9R0.47 C#CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000731252 [0,1,0,0,0,0|2,0,1]=4 347 B9R0.47 C#CCCCC(=O)[C@H](C)O 1458a_217856618621_100000731252 [0,1,0,0,0,0|2,0,1]=4 348 B9R0.47 C#CCCNC(=O)C(=O)N 240690a_100000755551_100011215815 [0,1,0,0,0,0|2,0,1]=4 349 B9R0.47 C#CCNCC(=O)C(=O)C 34a_100000212058_100011261029 [0,1,0,0,0,0|2,0,1]=4 350 B9R0.47 C#CCOCC(=O)C(=O)C 34a_100000210247_100011261029 [0,1,0,0,0,0|2,0,1]=4 351 B9R0.47 C#CCSCC(=O)C(=O)C 62a_100000038162_100011261029 [0,1,0,0,0,0|2,0,1]=4 352 B9R0.47 C=C(Br)C(=O)NCCCC 11a_100000102301_100009813364 [0,1,0,0,0,0|3,0,0]=4 353 B9R0.47 C=C(Br)C(=O)NCCCC 1626a_100000102301_100009813364 [0,1,0,0,0,0|3,0,0]=4 354 B9R0.47 C=C(Br)C(=O)NCCCF 11a_100015189416_100009813364 [0,1,0,0,0,0|3,0,0]=4 355 B9R0.47 C=C(Br)C(=O)NCCCF 1626a_100015189416_100009813364 [0,1,0,0,0,0|3,0,0]=4 356 B9R0.47 C=C(C)C(=O)CCCC#N 1458a_100000185857_100000211468 [0,1,0,0,0,0|2,0,1]=4 357 B9R0.47 C=C(C)C(=O)CCCCC 1458a_100000185857_100000210326 [0,1,0,0,0,0|3,0,0]=4 358 B9R0.47 C=C(C)C(=O)CCCCF 1458a_100000185857_100000729493 [0,1,0,0,0,0|3,0,0]=4 359 B9R0.47 C=C(C)C(=O)CCCCO 1458a_100000185857_100000210776 [0,1,0,0,0,0|3,0,0]=4 360 B9R0.47 C=C(C)C(=O)CCCOC 1458a_100000185857_100000740836 [0,1,0,0,0,0|3,0,0]=4 361 B9R0.47 C=C(C)C(=O)CCOCC 1458a_100000185857_100011215890 [0,1,0,0,0,0|3,0,0]=4 362 B9R0.47 C=C(C)C(=O)CCSCC 1458a_100000185857_100000757381 [0,1,0,0,0,0|3,0,0]=4 363 B9R0.47 C=C(C)C(=O)NCCCC 11a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 364 B9R0.47 C=C(C)C(=O)NCCCC 1626a_100000102301_100000185857 [0,1,0,0,0,0|3,0,0]=4 365 B9R0.47 C=C(C)C(=O)NCCCF 11a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 366 B9R0.47 C=C(C)C(=O)NCCCF 1626a_100015189416_100000185857 [0,1,0,0,0,0|3,0,0]=4 367 B9R0.47 C=C(C)C(=O)NCCNC 2230a_100102636416_200000210301 [0,1,0,0,0,0|3,0,0]=4 368 B9R0.47 C=C(C)C(=O)NCCN[13CH3] 2230a_100102636416_200025704644 [0,1,0,0,0,0|3,0,0]=4 369 B9R0.47 C=C(C)C(=O)OCCNC 2230a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 370 B9R0.47 C=C(C)C(=O)OCCNC 34a_100102657272_100009816335 [0,1,0,0,0,0|3,0,0]=4 371 B9R0.47 C=C(C)C(=O)OCCNC 7a_106832991635_100009816335 [0,1,0,0,0,0|3,0,0]=4 372 B9R0.47 C=C(Cl)C(=O)NCCCC 11a_100000102301_100000039160 [0,1,0,0,0,0|3,0,0]=4 373 B9R0.47 C=C(Cl)C(=O)NCCCC 1626a_100000102301_100000039160 [0,1,0,0,0,0|3,0,0]=4 374 B9R0.47 C=C(Cl)C(=O)NCCCF 11a_100015189416_100000039160 [0,1,0,0,0,0|3,0,0]=4 375 B9R0.47 C=C(Cl)C(=O)NCCCF 1626a_100015189416_100000039160 [0,1,0,0,0,0|3,0,0]=4 376 B9R0.47 C=C(F)C(=O)NCCCC 11a_100000102301_100000036797 [0,1,0,0,0,0|3,0,0]=4 377 B9R0.47 C=C(F)C(=O)NCCCC 1626a_100000102301_100000036797 [0,1,0,0,0,0|3,0,0]=4 378 B9R0.47 C=C(F)C(=O)NCCCF 11a_100015189416_100000036797 [0,1,0,0,0,0|3,0,0]=4 379 B9R0.47 C=C(F)C(=O)NCCCF 1626a_100015189416_100000036797 [0,1,0,0,0,0|3,0,0]=4 380 B9R0.47 C=CCCCC(=O)C(=C)C 1458a_100000185857_100000757094 [0,1,0,0,0,0|3,0,0]=4 381 B9R0.47 C=CCCCC(=O)C(O)O 1458a_100000233687_100000757094 [0,1,0,0,0,0|1,0,2]=4 382 B9R0.47 C=CCCCC(=O)[C@@H](C)O 1458a_100000717761_100000757094 [0,1,0,0,0,0|2,0,1]=4 383 B9R0.47 C=CCCCC(=O)[C@H](C)O 1458a_217856618621_100000757094 [0,1,0,0,0,0|2,0,1]=4 384 B9R0.47 C=CCCNC(=O)C(=O)N 240690a_100015191253_100011215815 [0,1,0,0,0,0|2,0,1]=4 385 B9R0.47 C=CCOCC(=O)C(=O)C 34a_200000210373_100011261029 [0,1,0,0,0,0|2,0,1]=4 386 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100000210623_100011261029 [0,1,0,0,0,0|2,0,1]=4 387 B9R0.47 C=CCSCC(=O)C(=O)C 62a_100011261029_100000210623 [0,1,0,0,0,0|2,0,1]=4 388 B9R0.47 CC(=O)C(=O)CNCCF 34a_100000724931_100011261029 [0,1,0,0,0,0|2,0,0]=3 389 B9R0.47 CC(=O)C(=O)CNCCO 34a_100016990907_100011261029 [0,1,0,0,0,0|2,0,0]=3 390 B9R0.47 CC(=O)C(=O)COCCBr 34a_100000211926_100011261029 [0,1,0,0,0,0|2,0,0]=3 391 B9R0.47 CC(=O)C(=O)COCCN 34a_100000210304_100011261029 [0,1,0,0,0,0|1,0,0]=2 392 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011215382_100011261029 [0,1,0,0,0,0|1,0,2]=4 393 B9R0.47 CC(=O)C(=O)CSCC#N 62a_100011261029_100011215382 [0,1,0,0,0,0|1,0,2]=4 394 B9R0.47 CC(=O)C(=O)CSCC=O 62a_100011261029_200015260668 [0,1,0,0,0,0|2,0,1]=4 395 B9R0.47 CC(=O)C(=O)CSCC=O 62a_200015260668_100011261029 [0,1,0,0,0,0|2,0,1]=4 396 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011217306_100011261029 [0,1,0,0,0,0|2,0,0]=3 397 B9R0.47 CC(=O)C(=O)CSCCF 62a_100011261029_100011217306 [0,1,0,0,0,0|2,0,0]=3 398 B9R0.47 CC(=O)C(=O)CSCCO 62a_100000211926_100011261029 [0,1,0,0,0,0|2,0,0]=3 399 B9R0.47 CC(=O)C(=O)CSCCO 62a_100011261029_100000211926 [0,1,0,0,0,0|2,0,0]=3 400 B9R0.47 CC(C)C(=O)COCCN 34a_100000210304_100000753385 [0,1,0,0,0,0|2,0,1]=4 401 B9R0.47 CC(CNCCF)C(=O)O 269956a_100000749485_100011217306 [0,1,0,0,0,0|2,0,1]=4 402 B9R0.47 CC(CNCCO)C(=O)O 269956a_100000749485_100000211926 [0,1,0,0,0,0|2,0,1]=4 403 B9R0.47 CC(OCCCN)C(=O)N 34a_100000182051_100000702099 [0,1,0,0,0,0|2,0,1]=4 404 B9R0.47 CCCCCC(=O)C(O)O 1458a_100000233687_100000210326 [0,1,0,0,0,0|1,0,2]=4 405 B9R0.47 CCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000210326 [0,1,0,0,0,0|2,0,1]=4 406 B9R0.47 CCCCCC(=O)[C@H](C)O 1458a_217856618621_100000210326 [0,1,0,0,0,0|2,0,1]=4 407 B9R0.47 CCCCNC(=O)C(=O)N 240690a_100000102301_100011215815 [0,1,0,0,0,0|2,0,0]=3 408 B9R0.47 CCCCNC(=O)C(O)O 240690a_100000102301_100000233687 [0,1,0,0,0,0|1,0,2]=4 409 B9R0.47 CCCCNC(=O)[C@@H](C)O 240690a_100000102301_100000717761 [0,1,0,0,0,0|2,0,1]=4 410 B9R0.47 CCCCNC(=O)[C@H](C)O 1626a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 411 B9R0.47 CCCCNC(=O)[C@H](C)O 240690a_100000102301_217856618621 [0,1,0,0,0,0|2,0,1]=4 412 B9R0.47 CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210211 [0,1,0,0,0,0|2,0,1]=4 413 B9R0.47 CCCNCC(C)C(=O)O 269956a_100000749485_100000210207 [0,1,0,0,0,0|2,0,1]=4 414 B9R0.47 CCCNCC(F)C(=O)O 269956a_100000084737_100000210207 [0,1,0,0,0,0|2,0,1]=4 415 B9R0.47 CCCNNC(=O)C(=O)N 22a_100000740057_100011215815 [0,1,0,0,0,0|3,0,0]=4 416 B9R0.47 CCCOCC(=O)C(=O)C 34a_100000210258_100011261029 [0,1,0,0,0,0|2,0,0]=3 417 B9R0.47 CCCSCC(=O)C(=O)C 62a_100000210303_100011261029 [0,1,0,0,0,0|2,0,0]=3 418 B9R0.47 CCCSCC(=O)C(=O)C 62a_100011261029_100000210303 [0,1,0,0,0,0|2,0,0]=3 419 B9R0.47 CCOCCC(=O)C(O)O 1458a_100000233687_100011215890 [0,1,0,0,0,0|1,0,2]=4 420 B9R0.47 CCOCCC(=O)[C@@H](C)O 1458a_100000717761_100011215890 [0,1,0,0,0,0|2,0,1]=4 421 B9R0.47 CCOCCC(=O)[C@H](C)O 1458a_217856618621_100011215890 [0,1,0,0,0,0|2,0,1]=4 422 B9R0.47 CCSCCC(=O)C(O)O 1458a_100000233687_100000757381 [0,1,0,0,0,0|1,0,2]=4 423 B9R0.47 CCSCCC(=O)[C@@H](C)O 1458a_100000717761_100000757381 [0,1,0,0,0,0|2,0,1]=4 424 B9R0.47 CCSCCC(=O)[C@H](C)O 1458a_217856618621_100000757381 [0,1,0,0,0,0|2,0,1]=4 425 B9R0.47 CN(C)C(=O)CCCN[13CH3] 2230a_200000744827_200025704644 [0,1,0,0,0,0|3,0,0]=4 426 B9R0.47 CN(C)C(=O)COCCN 34a_100000210304_100000692301 [0,1,0,0,0,0|3,0,0]=4 427 B9R0.47 CNCCCC(=O)N(C)C 2230a_106832991635_100000737642 [0,1,0,0,0,0|3,0,0]=4 428 B9R0.47 CNCCCC(=O)N(C)C 2230a_200000744827_200000210301 [0,1,0,0,0,0|3,0,0]=4 429 B9R0.47 CNCCCC(=O)N(C)C 7a_106832991635_100000737642 [0,1,0,0,0,0|3,0,0]=4 430 B9R0.47 COCCCC(=O)C(O)O 1458a_100000233687_100000740836 [0,1,0,0,0,0|1,0,2]=4 431 B9R0.47 COCCCC(=O)[C@@H](C)O 1458a_100000717761_100000740836 [0,1,0,0,0,0|2,0,1]=4 432 B9R0.47 COCCCC(=O)[C@H](C)O 1458a_217856618621_100000740836 [0,1,0,0,0,0|2,0,1]=4 433 B9R0.47 COCCNC(=O)C(=O)N 240690a_100000209980_100011215815 [0,1,0,0,0,0|3,0,0]=4 434 B9R0.47 COCSCC(=O)C(=O)C 62a_100000766300_100011261029 [0,1,0,0,0,0|3,0,0]=4 435 B9R0.47 COCSCC(=O)C(=O)C 62a_100011261029_100000766300 [0,1,0,0,0,0|3,0,0]=4 436 B9R0.47 CSCCNC(=O)C(=O)N 240690a_100020590264_100011215815 [0,1,0,0,0,0|3,0,0]=4 437 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011218213_100011261029 [0,1,0,0,0,0|3,0,0]=4 438 B9R0.47 CSCSCC(=O)C(=O)C 62a_100011261029_100011218213 [0,1,0,0,0,0|3,0,0]=4 439 B9R0.47 C[C@@H](O)C(=O)CCCC#N 1458a_100000717761_100000211468 [0,1,0,0,0,0|1,0,2]=4 440 B9R0.47 C[C@@H](O)C(=O)CCCCF 1458a_100000717761_100000729493 [0,1,0,0,0,0|2,0,1]=4 441 B9R0.47 C[C@@H](O)C(=O)CCCCO 1458a_100000717761_100000210776 [0,1,0,0,0,0|2,0,1]=4 442 B9R0.47 C[C@@H](O)C(=O)NCCCF 240690a_100015189416_100000717761 [0,1,0,0,0,0|2,0,1]=4 443 B9R0.47 C[C@@H](O)C(=O)NCCCO 240690a_100000182051_100000717761 [0,1,0,0,0,0|2,0,1]=4 444 B9R0.47 C[C@H](NCCCF)C(=O)O 269956a_100000743915_100011934791 [0,1,0,0,0,0|2,0,1]=4 445 B9R0.47 C[C@H](NCCCO)C(=O)O 269956a_100000743915_100011215043 [0,1,0,0,0,0|2,0,1]=4 446 B9R0.47 C[C@H](O)C(=O)CCCC#N 1458a_217856618621_100000211468 [0,1,0,0,0,0|1,0,2]=4 447 B9R0.47 C[C@H](O)C(=O)CCCCF 1458a_217856618621_100000729493 [0,1,0,0,0,0|2,0,1]=4 448 B9R0.47 C[C@H](O)C(=O)CCCCO 1458a_217856618621_100000210776 [0,1,0,0,0,0|2,0,1]=4 449 B9R0.47 C[C@H](O)C(=O)NCCCF 1626a_100015189416_217856618621 [0,1,0,0,0,0|2,0,1]=4 450 B9R0.47 C[C@H](O)C(=O)NCCCF 240690a_100015189416_217856618621 [0,1,0,0,0,0|2,0,1]=4 451 B9R0.47 C[C@H](O)C(=O)NCCCO 240690a_100000182051_217856618621 [0,1,0,0,0,0|2,0,1]=4 452 B9R0.47 N#CCCCC(=O)C(O)O 1458a_100000233687_100000211468 [0,1,0,0,0,0|0,0,3]=4 453 B9R0.47 N#CCCNC(=O)C(=O)N 240690a_100000720768_100011215815 [0,1,0,0,0,0|1,0,2]=4 454 B9R0.47 NC(=O)C(=O)NCCCF 240690a_100015189416_100011215815 [0,1,0,0,0,0|2,0,0]=3 455 B9R0.47 NC(=O)C(=O)NCCCO 240690a_100000182051_100011215815 [0,1,0,0,0,0|2,0,0]=3 456 B9R0.47 NC(=O)C(=O)NNCCO 22a_100000210001_100011215815 [0,1,0,0,0,0|3,0,0]=4 457 B9R0.47 NCCCOC(F)C(=O)N 34a_100000182051_100009813875 [0,1,0,0,0,0|2,0,1]=4 458 B9R0.47 NCCCOC(F)C(=O)[O-] 34a_100000182051_100020610796 [0,1,0,0,0,0|1,0,2]=4 459 B9R0.47 O=C(CCCCF)C(O)O 1458a_100000233687_100000729493 [0,1,0,0,0,0|1,0,2]=4 460 B9R0.47 O=C(CCCCO)C(O)O 1458a_100000233687_100000210776 [0,1,0,0,0,0|1,0,2]=4 461 B9R0.47 O=C(NCCCF)C(O)O 240690a_100015189416_100000233687 [0,1,0,0,0,0|1,0,2]=4 462 B9R0.47 O=C(NCCCO)C(O)O 240690a_100000182051_100000233687 [0,1,0,0,0,0|1,0,2]=4 463 B9R0.47 O=C(O)C(F)CNCCF 269956a_100000084737_100011217306 [0,1,0,0,0,0|2,0,1]=4 464 B9R0.47 O=C(O)C(F)CNCCO 269956a_100000084737_100000211926 [0,1,0,0,0,0|2,0,1]=4 465 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [0,0,0,1,0,0|3,0,0]=4 466 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [0,0,0,1,0,0|3,0,0]=4 467 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [0,0,0,1,0,0|3,0,0]=4 468 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [0,0,0,1,0,0|3,0,0]=4 469 B9R1.100 CCCCC(=O)C1CO1 1458a_100000701028_100000210211 [0,0,0,1,0,0|2,0,1]=4 470 B9R1.100 O=C(CCCF)C1CO1 1458a_100000701028_100011934791 [0,0,0,1,0,0|2,0,1]=4 471 B9R1.100 O=C(CCCO)C1CO1 1458a_100000701028_100011215043 [0,0,0,1,0,0|2,0,1]=4 472 B9R1.110 C=C(C)C(=O)C1CCC1 1458a_100000185857_100000749161 [0,0,0,1,0,0|3,0,0]=4 473 B9R1.110 C[C@@H](O)C(=O)C1CCC1 1458a_100000717761_100000749161 [0,0,0,1,0,0|2,0,1]=4 474 B9R1.110 C[C@H](O)C(=O)C1CCC1 1458a_217856618621_100000749161 [0,0,0,1,0,0|2,0,1]=4 475 B9R1.110 NC(=O)C(=O)N1CCC1 240690a_100000754969_100011215815 [0,0,0,1,0,0|3,0,0]=4 476 B9R1.110 O=C(C(O)O)C1CCC1 1458a_100000233687_100000749161 [0,0,0,1,0,0|1,0,2]=4 477 B9R1.112 C=C(C)C(=O)CC1CC1 1458a_100000185857_100000742324 [0,0,0,1,0,0|3,0,0]=4 478 B9R1.112 C=C(C)C(=O)CC1CO1 1458a_100000185857_100011216344 [0,0,0,1,0,0|3,0,0]=4 479 B9R1.112 C=C(C)C(=O)CC1CS1 1458a_100000185857_100000031435 [0,0,0,1,0,0|3,0,0]=4 480 B9R1.112 C=C(C)C(=O)C[C@@H]1CO1 1458a_100000185857_100000745022 [0,0,0,1,0,0|3,0,0]=4 481 B9R1.112 CC(=O)C(=O)NC1CC1 1458a_100000756273_200000210301 [0,0,0,1,0,0|3,0,0]=4 482 B9R1.112 C[C@@H](O)C(=O)CC1CC1 1458a_100000717761_100000742324 [0,0,0,1,0,0|2,0,1]=4 483 B9R1.112 C[C@@H](O)C(=O)CC1CO1 1458a_100000717761_100011216344 [0,0,0,1,0,0|2,0,1]=4 484 B9R1.112 C[C@@H](O)C(=O)CC1CS1 1458a_100000717761_100000031435 [0,0,0,1,0,0|2,0,1]=4 485 B9R1.112 C[C@@H](O)C(=O)C[C@@H]1CO1 1458a_100000717761_100000745022 [0,0,0,1,0,0|2,0,1]=4 486 B9R1.112 C[C@H](O)C(=O)CC1CC1 1458a_217856618621_100000742324 [0,0,0,1,0,0|2,0,1]=4 487 B9R1.112 C[C@H](O)C(=O)CC1CO1 1458a_217856618621_100011216344 [0,0,0,1,0,0|2,0,1]=4 488 B9R1.112 C[C@H](O)C(=O)CC1CS1 1458a_217856618621_100000031435 [0,0,0,1,0,0|2,0,1]=4 489 B9R1.112 C[C@H](O)C(=O)C[C@@H]1CO1 1458a_217856618621_100000745022 [0,0,0,1,0,0|2,0,1]=4 490 B9R1.112 NC(=O)C(=O)NC1CC1 240690a_100000212008_100011215815 [0,0,0,1,0,0|3,0,0]=4 491 B9R1.112 O=C(CC1CC1)C(O)O 1458a_100000233687_100000742324 [0,0,0,1,0,0|1,0,2]=4 492 B9R1.112 O=C(CC1CO1)C(O)O 1458a_100000233687_100011216344 [0,0,0,1,0,0|1,0,2]=4 493 B9R1.112 O=C(CC1CS1)C(O)O 1458a_100000233687_100000031435 [0,0,0,1,0,0|1,0,2]=4 494 B9R1.112 O=C(C[C@@H]1CO1)C(O)O 1458a_100000233687_100000745022 [0,0,0,1,0,0|1,0,2]=4 495 B9R1.112 [13CH3]C(=O)C(=O)NC1CC1 1458a_100000756273_200025704644 [0,0,0,1,0,0|3,0,0]=4 496 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100000692101_100000187820 [0,0,0,0,0,1|2,0,1]=4 497 B9R0.4 C#CCCC(=O)CC(=O)N 1458a_100134613110_100000753159 [0,0,0,0,0,1|2,0,1]=4 498 B9R0.4 C#CCCC(=O)CC(=O)[O-] 1458a_100000692101_100020667443 [0,0,0,0,0,1|1,0,2]=4 499 B9R0.4 C=C(C)CC(=O)CCCC 1458a_100000210183_100000748629 [0,0,0,0,0,1|3,0,0]=4 500 B9R0.4 C=C(F)CC(=O)CCCC 1458a_100000210183_100009893438 [0,0,0,0,0,1|3,0,0]=4 501 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100000749702_100000187820 [0,0,0,0,0,1|2,0,1]=4 502 B9R0.4 C=CCCC(=O)CC(=O)N 1458a_100134613110_100000754431 [0,0,0,0,0,1|2,0,1]=4 503 B9R0.4 C=CCCC(=O)CC(=O)[O-] 1458a_100000749702_100020667443 [0,0,0,0,0,1|1,0,2]=4 504 B9R0.4 CC(=CC(=O)CCCF)C 1458a_100000211388_100011934791 [0,0,0,0,0,1|3,0,0]=4 505 B9R0.4 CC(=CC(=O)CCCF)Cl 1458a_200042562850_100011934791 [0,0,0,0,0,1|3,0,0]=4 506 B9R0.4 CC(=CC(=O)CCCF)I 1458a_100025716642_100011934791 [0,0,0,0,0,1|3,0,0]=4 507 B9R0.4 CC(=CC(=O)CCCO)C 1458a_100000211388_100011215043 [0,0,0,0,0,1|3,0,0]=4 508 B9R0.4 CC(=CC(=O)CCCO)Cl 1458a_200042562850_100011215043 [0,0,0,0,0,1|3,0,0]=4 509 B9R0.4 CC(=CC(=O)CCCO)I 1458a_100025716642_100011215043 [0,0,0,0,0,1|3,0,0]=4 510 B9R0.4 CC(=O)NC(=O)CSCF 62a_100015361967_100000183797 [0,0,0,0,0,1|3,0,0]=4 511 B9R0.4 CCCCC(=O)C=C(C)C 1458a_100000211388_100000210211 [0,0,0,0,0,1|3,0,0]=4 512 B9R0.4 CCCCC(=O)C=C(C)Cl 1458a_200042562850_100000210211 [0,0,0,0,0,1|3,0,0]=4 513 B9R0.4 CCCCC(=O)C=C(C)I 1458a_100025716642_100000210211 [0,0,0,0,0,1|3,0,0]=4 514 B9R0.4 CCCCC(=O)C=C(Cl)Cl 1458a_100000137448_100000210211 [0,0,0,0,0,1|3,0,0]=4 515 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100000210183_100000187820 [0,0,0,0,0,1|2,0,0]=3 516 B9R0.4 CCCCC(=O)CC(=O)N 1458a_100134613110_100000210211 [0,0,0,0,0,1|2,0,0]=3 517 B9R0.4 CCCCC(=O)CC(=O)[O-] 1458a_100000210183_100020667443 [0,0,0,0,0,1|1,0,1]=3 518 B9R0.4 CCCCC(=O)CC(C)O 1458a_100000210183_100011218427 [0,0,0,0,0,1|2,0,1]=4 519 B9R0.4 CCCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210211 [0,0,0,0,0,1|2,0,1]=4 520 B9R0.4 CCCCC(=O)C[N+](=O)[O-] 1458a_100000210183_100000761209 [0,0,0,0,0,1|2,0,1]=4 521 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [0,0,0,0,0,1|3,0,0]=4 522 B9R0.4 CCCNC(=O)CC(=O)C 1458a_100000070787_100000183358 [0,0,0,0,0,1|3,0,0]=4 523 B9R0.4 CCCNC(=O)CC(=O)N 240690a_100020643023_100134613110 [0,0,0,0,0,1|3,0,0]=4 524 B9R0.4 CCCNC(=O)CC(=O)N 527a_100020643023_100134613110 [0,0,0,0,0,1|3,0,0]=4 525 B9R0.4 CCCOC(=O)CC(=O)C 1458a_100000070787_200011215008 [0,0,0,0,0,1|3,0,0]=4 526 B9R0.4 CCNCC(=O)NC(=O)N 2230a_100015525214_100000182717 [0,0,0,0,0,1|3,0,0]=4 527 B9R0.4 CCOCC(=O)CC(=O)N 1458a_100000211967_100000187820 [0,0,0,0,0,1|3,0,0]=4 528 B9R0.4 CCOCC(=O)CC(=O)[O-] 1458a_100000211967_100020667443 [0,0,0,0,0,1|2,0,1]=4 529 B9R0.4 CCSCC(=O)CC(=O)N 1458a_100000230394_100000187820 [0,0,0,0,0,1|3,0,0]=4 530 B9R0.4 CCSCC(=O)CC(=O)[O-] 1458a_100000230394_100020667443 [0,0,0,0,0,1|2,0,1]=4 531 B9R0.4 CCSCC(=O)NC(=O)C 62a_100000210202_100000183797 [0,0,0,0,0,1|3,0,0]=4 532 B9R0.4 CCSCC(=O)NC(=O)N 62a_100000210202_100000182717 [0,0,0,0,0,1|3,0,0]=4 533 B9R0.4 CN(CCCF)CC(=O)O 269956a_100000746989_100011934791 [0,0,0,0,0,1|3,0,0]=4 534 B9R0.4 CN(CCCO)CC(=O)O 269956a_100000746989_100011215043 [0,0,0,0,0,1|3,0,0]=4 535 B9R0.4 CNCCC(=O)NC(=O)N 2230a_106832991635_100000237605 [0,0,0,0,0,1|3,0,0]=4 536 B9R0.4 CNCCC(=O)NC(=O)N 7a_106832991635_100000237605 [0,0,0,0,0,1|3,0,0]=4 537 B9R0.4 COCCC(=O)CC(=O)N 1458a_100000749529_100000187820 [0,0,0,0,0,1|3,0,0]=4 538 B9R0.4 COCCC(=O)CC(=O)N 1458a_100134613110_100000233755 [0,0,0,0,0,1|3,0,0]=4 539 B9R0.4 COCCC(=O)CC(=O)[O-] 1458a_100000749529_100020667443 [0,0,0,0,0,1|2,0,1]=4 540 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100000174002_100000187820 [0,0,0,0,0,1|3,0,0]=4 541 B9R0.4 CSCCC(=O)CC(=O)N 1458a_100134613110_100000751147 [0,0,0,0,0,1|3,0,0]=4 542 B9R0.4 CSCCC(=O)CC(=O)[O-] 1458a_100000174002_100020667443 [0,0,0,0,0,1|2,0,1]=4 543 B9R0.4 CSCCC(=O)NC(=O)N 62a_200000210301_100000237605 [0,0,0,0,0,1|3,0,0]=4 544 B9R0.4 C[C@@H](O)CC(=O)CCCF 1458a_100011933948_100011934791 [0,0,0,0,0,1|2,0,1]=4 545 B9R0.4 C[C@@H](O)CC(=O)CCCO 1458a_100011933948_100011215043 [0,0,0,0,0,1|2,0,1]=4 546 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100011934036_100000187820 [0,0,0,0,0,1|1,0,2]=4 547 B9R0.4 N#CCCC(=O)CC(=O)N 1458a_100134613110_100011215226 [0,0,0,0,0,1|1,0,2]=4 548 B9R0.4 N#CCCC(=O)CC(=O)[O-] 1458a_100011934036_100020667443 [0,0,0,0,0,1|0,0,3]=4 549 B9R0.4 NC(=O)CC(=O)CCCF 1458a_100134613110_100011934791 [0,0,0,0,0,1|2,0,0]=3 550 B9R0.4 NC(=O)CC(=O)CCCO 1458a_100134613110_100011215043 [0,0,0,0,0,1|2,0,0]=3 551 B9R0.4 NC(=O)CC(=O)NCCF 240690a_100000724931_100134613110 [0,0,0,0,0,1|3,0,0]=4 552 B9R0.4 NC(=O)CC(=O)NCCF 527a_100000724931_100134613110 [0,0,0,0,0,1|3,0,0]=4 553 B9R0.4 NC(=O)CC(=O)NCCO 240690a_100000210304_100134613110 [0,0,0,0,0,1|3,0,0]=4 554 B9R0.4 NC(=O)CC(=O)NCCO 527a_100000210304_100134613110 [0,0,0,0,0,1|3,0,0]=4 555 B9R0.4 NC(=O)NC(=O)CSCF 62a_100015361967_100000182717 [0,0,0,0,0,1|3,0,0]=4 556 B9R0.4 O=C(C=C(Cl)Cl)CCCF 1458a_100000137448_100011934791 [0,0,0,0,0,1|3,0,0]=4 557 B9R0.4 O=C(C=C(Cl)Cl)CCCO 1458a_100000137448_100011215043 [0,0,0,0,0,1|3,0,0]=4 558 B9R0.4 [13CH3]SCCC(=O)NC(=O)N 62a_200025704644_100000237605 [0,0,0,0,0,1|3,0,0]=4 559 B6R0.1 C#CC(=O)CCC 1458a_100000211873_100000210303 [2,0,0,0,0,0|1,0,1]=4 560 B6R0.1 C=CC(=O)CCC 1458a_100000185746_100000210303 [2,0,0,0,0,0|1,0,0]=3 561 B6R0.1 C=CC(=O)CCF 1458a_100000185746_100011217306 [2,0,0,0,0,0|2,0,0]=4 562 B6R0.1 C=CC(=O)CCO 1458a_100000185746_100000211926 [2,0,0,0,0,0|2,0,0]=4 563 B6R0.1 C=CC(=O)NCC 240690a_100015525214_200121576911 [2,0,0,0,0,0|2,0,0]=4 564 B6R0.1 CCCC(=O)CC 1458a_100000210414_100000210303 [2,0,0,0,0,0|1,0,1]=4 565 B6R0.1 CCCC(=O)CC 1458a_100000211992_100000210202 [2,0,0,0,0,0|1,0,1]=4 566 B6R0.1 CCCC(=O)CF 1458a_100000211992_100015361967 [2,0,0,0,0,0|1,0,1]=4 567 B6R0.1 CCCC(=O)CO 1458a_100000210174_100000210303 [2,0,0,0,0,0|0,0,1]=3 568 B6R0.1 CCCC(=O)NC 11a_106832991635_100000211992 [2,0,0,0,0,0|2,0,0]=4 569 B6R0.1 CCCC(=O)NC 1626a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 570 B6R0.1 CCCC(=O)NC 240690a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 571 B6R0.1 CCCC(=O)NC 527a_100102657272_100000211992 [2,0,0,0,0,0|2,0,0]=4 572 B6R0.1 CCNC(=O)CO 240690a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 573 B6R0.1 CCNC(=O)CO 527a_100015525214_100000210174 [2,0,0,0,0,0|1,0,1]=4 574 B6R0.1 O=C(CO)CCF 1458a_100000210174_100011217306 [2,0,0,0,0,0|1,0,1]=4 575 B6R0.1 O=C(CO)CCO 1458a_100000210174_100000211926 [2,0,0,0,0,0|1,0,1]=4 576 B6R0.4 CC(=O)CCCF 1458a_100000070787_100011934791 [2,0,0,0,0,0|1,0,1]=4 577 B6R0.4 CC(=O)CCCO 1458a_100000070787_100011215043 [2,0,0,0,0,0|1,0,1]=4 578 B6R0.4 CCC=CC(=O)C 1458a_100000212282_200000210301 [2,0,0,0,0,0|1,0,1]=4 579 B6R0.4 CCC=CC(=O)[13CH3] 1458a_100000212282_200025704644 [2,0,0,0,0,0|1,0,1]=4 580 B6R0.4 CCCCC(=O)C 1458a_100000070787_100000210211 [2,0,0,0,0,0|1,0,1]=4 581 B6R0.4 CCCCC(=O)C 1458a_100000210183_200000210301 [2,0,0,0,0,0|1,0,1]=4 582 B6R0.4 CCCCC(=O)[13CH3] 1458a_100000210183_200025704644 [2,0,0,0,0,0|1,0,1]=4 583 B6R0.4 CCCNC(=O)C 11a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 584 B6R0.4 CCCNC(=O)C 1626a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 585 B6R0.4 CCCNC(=O)C 240690a_100020643023_100015343762 [2,0,0,0,0,0|2,0,0]=4 586 B6R0.4 CCCNC(=O)C 527a_100020643023_100103153847 [2,0,0,0,0,0|2,0,0]=4 587 B6R0.4 CCNCC(=O)O 269956a_100016091260_100000210202 [2,0,0,0,0,0|1,0,1]=4 588 B6R0.4 O=C(O)CNCF 269956a_100016091260_100015361967 [2,0,0,0,0,0|2,0,0]=4 589 B6R0.6 NCCOCC=O 34a_100000210304_200009817547 [2,0,0,0,0,0|1,0,1]=4 590 B6R0.3 C=C(C)C(=O)CC 1458a_100000185857_100000210202 [2,0,0,0,0,0|2,0,0]=4 591 B6R0.3 CCC(=O)C(O)O 1458a_100000233687_100000210202 [2,0,0,0,0,0|0,0,2]=4 592 B6R0.3 CCC(=O)[C@@H](C)O 1458a_100000717761_100000210202 [2,0,0,0,0,0|1,0,1]=4 593 B6R0.3 CCC(=O)[C@H](C)O 1458a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 594 B6R0.3 CNC(=O)C(=O)C 1458a_100011218921_200000210301 [2,0,0,0,0,0|2,0,0]=4 595 B6R0.3 CNC(=O)C(=O)N 240690a_100102657272_100011215815 [2,0,0,0,0,0|2,0,0]=4 596 B6R0.3 CNC(=O)C(=O)[13CH3] 1458a_100011218921_200025704644 [2,0,0,0,0,0|2,0,0]=4 597 B8R0.1 C=CCC(=O)CCCC 1458a_100000210183_100000210623 [1,1,0,0,0,0|2,0,0]=4 598 B8R0.1 C=CCC(=O)CCCC 1458a_100000210193_100000210211 [1,1,0,0,0,0|2,0,0]=4 599 B8R0.1 C=CCC(=O)CCCF 1458a_100000210193_100011934791 [1,1,0,0,0,0|2,0,0]=4 600 B8R0.1 C=CCC(=O)CCCO 1458a_100000210193_100011215043 [1,1,0,0,0,0|2,0,0]=4 601 B8R0.1 CC=CC(=O)CCCC 1458a_100000210699_100000210211 [1,1,0,0,0,0|2,0,0]=4 602 B8R0.1 CC=CC(=O)CCCF 1458a_100000210699_100011934791 [1,1,0,0,0,0|2,0,0]=4 603 B8R0.1 CC=CC(=O)CCCO 1458a_100000210699_100011215043 [1,1,0,0,0,0|2,0,0]=4 604 B8R0.1 CCCCC(=O)C=CBr 1458a_100016273825_100000210211 [1,1,0,0,0,0|2,0,0]=4 605 B8R0.1 CCCCC(=O)C=CCl 1458a_200016279998_100000210211 [1,1,0,0,0,0|2,0,0]=4 606 B8R0.1 CCCCC(=O)C=CI 1458a_100016256311_100000210211 [1,1,0,0,0,0|2,0,0]=4 607 B8R0.1 CCCCC(=O)CCO 1458a_100000210183_100000211926 [1,1,0,0,0,0|1,0,1]=4 608 B8R0.1 CCCCC(=O)CCO 1458a_100011216618_100000210211 [1,1,0,0,0,0|1,0,1]=4 609 B8R0.1 CCCCC(=O)COC 1458a_100000210968_100000210211 [1,1,0,0,0,0|1,0,1]=4 610 B8R0.1 COCC(=O)CCCF 1458a_100000210968_100011934791 [1,1,0,0,0,0|1,0,1]=4 611 B8R0.1 COCC(=O)CCCO 1458a_100000210968_100011215043 [1,1,0,0,0,0|1,0,1]=4 612 B8R0.1 O=C(C=CBr)CCCF 1458a_100016273825_100011934791 [1,1,0,0,0,0|2,0,0]=4 613 B8R0.1 O=C(C=CBr)CCCO 1458a_100016273825_100011215043 [1,1,0,0,0,0|2,0,0]=4 614 B8R0.1 O=C(C=CCl)CCCF 1458a_200016279998_100011934791 [1,1,0,0,0,0|2,0,0]=4 615 B8R0.1 O=C(C=CCl)CCCO 1458a_200016279998_100011215043 [1,1,0,0,0,0|2,0,0]=4 616 B8R0.1 O=C(C=CI)CCCF 1458a_100016256311_100011934791 [1,1,0,0,0,0|2,0,0]=4 617 B8R0.1 O=C(C=CI)CCCO 1458a_100016256311_100011215043 [1,1,0,0,0,0|2,0,0]=4 618 B8R0.1 O=C(CCO)CCCF 1458a_100011216618_100011934791 [1,1,0,0,0,0|1,0,1]=4 619 B8R0.1 O=C(CCO)CCCO 1458a_100011216618_100011215043 [1,1,0,0,0,0|1,0,1]=4 620 B8R0.3 C=CC(=O)C(C)CCC 1458a_100000185746_100000766640 [1,1,0,0,0,0|2,0,0]=4 621 B8R0.3 C=CC(=O)C(C)CCO 1458a_100000185746_100009893172 [1,1,0,0,0,0|2,0,0]=4 622 B8R0.3 CC(CCO)C(=O)CO 1458a_100000210174_100009893172 [1,1,0,0,0,0|1,0,1]=4 623 B8R0.3 CCCC(C)C(=O)CO 1458a_100000210174_100000766640 [1,1,0,0,0,0|1,0,1]=4 624 B8R0.6 C#CCCCC(=O)C=C 1458a_100000185746_100000731252 [1,1,0,0,0,0|2,0,0]=4 625 B8R0.6 C#CCCCC(=O)CO 1458a_100000210174_100000731252 [1,1,0,0,0,0|1,0,1]=4 626 B8R0.6 C=CC(=O)CCCC#N 1458a_100000185746_100000211468 [1,1,0,0,0,0|1,0,1]=4 627 B8R0.6 C=CC(=O)CCCCC 1458a_100000185746_100000210326 [1,1,0,0,0,0|2,0,0]=4 628 B8R0.6 C=CC(=O)CCCCF 1458a_100000185746_100000729493 [1,1,0,0,0,0|2,0,0]=4 629 B8R0.6 C=CC(=O)CCCCO 1458a_100000185746_100000210776 [1,1,0,0,0,0|2,0,0]=4 630 B8R0.6 C=CC(=O)CCCOC 1458a_100000185746_100000740836 [1,1,0,0,0,0|2,0,0]=4 631 B8R0.6 C=CC(=O)CCOCC 1458a_100000185746_100011215890 [1,1,0,0,0,0|2,0,0]=4 632 B8R0.6 C=CC(=O)CCSCC 1458a_100000185746_100000757381 [1,1,0,0,0,0|2,0,0]=4 633 B8R0.6 C=CC(=O)NCCCC 1626a_100000102301_100000185746 [1,1,0,0,0,0|2,0,0]=4 634 B8R0.6 C=CC(=O)NCCCC 240690a_100000102301_200121576911 [1,1,0,0,0,0|2,0,0]=4 635 B8R0.6 C=CC(=O)NCCCF 1626a_100015189416_100000185746 [1,1,0,0,0,0|2,0,0]=4 636 B8R0.6 C=CC(=O)NCCCF 240690a_100015189416_200121576911 [1,1,0,0,0,0|2,0,0]=4 637 B8R0.6 C=CC(=O)NCCCO 240690a_100000182051_200121576911 [1,1,0,0,0,0|2,0,0]=4 638 B8R0.6 C=CC(=O)NCCNC 2230a_114873766552_200000210301 [1,1,0,0,0,0|2,0,0]=4 639 B8R0.6 C=CC(=O)NCCN[13CH3] 2230a_114873766552_200025704644 [1,1,0,0,0,0|2,0,0]=4 640 B8R0.6 C=CC(=O)OCCNC 2230a_106832991635_100009813456 [1,1,0,0,0,0|2,0,0]=4 641 B8R0.6 C=CC(=O)OCCNC 34a_100102657272_100009813456 [1,1,0,0,0,0|2,0,0]=4 642 B8R0.6 C=CC(=O)OCCNC 7a_106832991635_100009813456 [1,1,0,0,0,0|2,0,0]=4 643 B8R0.6 C=CCCCC(=O)C=C 1458a_100000185746_100000757094 [1,1,0,0,0,0|2,0,0]=4 644 B8R0.6 C=CCCCC(=O)CO 1458a_100000210174_100000757094 [1,1,0,0,0,0|1,0,1]=4 645 B8R0.6 CCCCCC(=O)CO 1458a_100000210174_100000210326 [1,1,0,0,0,0|1,0,1]=4 646 B8R0.6 CCCCNC(=O)CO 240690a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 647 B8R0.6 CCCCNC(=O)CO 527a_100000102301_100000210174 [1,1,0,0,0,0|1,0,1]=4 648 B8R0.6 CCOCCC(=O)CO 1458a_100000210174_100011215890 [1,1,0,0,0,0|1,0,1]=4 649 B8R0.6 CCSCCC(=O)CO 1458a_100000210174_100000757381 [1,1,0,0,0,0|1,0,1]=4 650 B8R0.6 CNC(=O)CCCN[13CH3] 2230a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 651 B8R0.6 CNC(=O)CCCN[13CH3] 34a_100000740002_200025704644 [1,1,0,0,0,0|2,0,0]=4 652 B8R0.6 CNC(=O)COCCN 34a_100000210304_100000183359 [1,1,0,0,0,0|2,0,0]=4 653 B8R0.6 CNCCCC(=O)NC 2230a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 654 B8R0.6 CNCCCC(=O)NC 2230a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 655 B8R0.6 CNCCCC(=O)NC 34a_100000740002_200000210301 [1,1,0,0,0,0|2,0,0]=4 656 B8R0.6 CNCCCC(=O)NC 34a_100102657272_100000741757 [1,1,0,0,0,0|2,0,0]=4 657 B8R0.6 CNCCCC(=O)NC 7a_106832991635_100000741757 [1,1,0,0,0,0|2,0,0]=4 658 B8R0.6 CNCCCC(=O)OC 2230a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 659 B8R0.6 CNCCCC(=O)OC 34a_100102657272_100000742333 [1,1,0,0,0,0|2,0,0]=4 660 B8R0.6 CNCCCC(=O)OC 7a_106832991635_100011218270 [1,1,0,0,0,0|2,0,0]=4 661 B8R0.6 COC(=O)COCCN 34a_100000210304_100000747449 [1,1,0,0,0,0|2,0,0]=4 662 B8R0.6 COCCCC(=O)CO 1458a_100000210174_100000740836 [1,1,0,0,0,0|1,0,1]=4 663 B8R0.6 N#CCCCC(=O)CO 1458a_100000210174_100000211468 [1,1,0,0,0,0|0,0,2]=4 664 B8R0.6 O=C(CO)CCCCF 1458a_100000210174_100000729493 [1,1,0,0,0,0|1,0,1]=4 665 B8R0.6 O=C(CO)CCCCO 1458a_100000210174_100000210776 [1,1,0,0,0,0|1,0,1]=4 666 B8R0.6 O=C(CO)NCCCF 240690a_100015189416_100000210174 [1,1,0,0,0,0|1,0,1]=4 667 B8R0.6 O=C(CO)NCCCF 527a_100015189416_100000210174 [1,1,0,0,0,0|1,0,1]=4 668 B8R0.6 O=C(CO)NCCCO 240690a_100000182051_100000210174 [1,1,0,0,0,0|1,0,1]=4 669 B8R0.6 O=C(CO)NCCCO 527a_100000182051_100000210174 [1,1,0,0,0,0|1,0,1]=4 670 B8R0.9 C=CC(=O)CCC(C)C 1458a_100000185746_100000210312 [1,1,0,0,0,0|2,0,0]=4 671 B8R0.9 C=CC(=O)CCC(C)O 1458a_100000185746_100012276601 [1,1,0,0,0,0|2,0,0]=4 672 B8R0.9 CC(C)CCC(=O)CO 1458a_100000210174_100000210312 [1,1,0,0,0,0|1,0,1]=4 673 B8R0.9 CC(O)CCC(=O)CO 1458a_100000210174_100012276601 [1,1,0,0,0,0|1,0,1]=4 674 B8R0.11 NCCOC(C=O)C=O 34a_100000210304_100000736813 [1,1,0,0,0,0|1,0,1]=4 675 B8R0.19 C=CC(=O)CC(C)CC 1458a_100000185746_100000748023 [1,1,0,0,0,0|2,0,0]=4 676 B8R0.19 C=CC(=O)CC(O)CC 1458a_100000185746_100011218378 [1,1,0,0,0,0|2,0,0]=4 677 B8R0.19 C=CC(=O)C[C@@H](C)CC 1458a_100000185746_100009816398 [1,1,0,0,0,0|2,0,0]=4 678 B8R0.19 C=CC(=O)C[C@@H](C)CO 1458a_100000185746_100000059175 [1,1,0,0,0,0|2,0,0]=4 679 B8R0.19 CCC(C)CC(=O)CO 1458a_100000210174_100000748023 [1,1,0,0,0,0|1,0,1]=4 680 B8R0.19 CCC(O)CC(=O)CO 1458a_100000210174_100011218378 [1,1,0,0,0,0|1,0,1]=4 681 B8R0.19 CC[C@H](C)CC(=O)CO 1458a_100000210174_100009816398 [1,1,0,0,0,0|1,0,1]=4 682 B8R0.19 C[C@@H](CO)CC(=O)CO 1458a_100000210174_100000059175 [1,1,0,0,0,0|1,0,1]=4 683 B8R0.7 CC(=CCOCCN)C 34a_100000210304_100000761012 [1,1,0,0,0,0|2,0,0]=4 684 B8R0.7 CC(=O)NCCCN[13CH3] 34a_100000736810_200025704644 [1,1,0,0,0,0|2,0,0]=4 685 B8R0.7 CC(=O)OCOCCN 34a_100000210304_100009813279 [1,1,0,0,0,0|2,0,0]=4 686 B8R0.7 CCCCC=CC(=O)C 1458a_100016266645_200000210301 [1,1,0,0,0,0|2,0,0]=4 687 B8R0.7 CCCCC=CC(=O)[13CH3] 1458a_100016266645_200025704644 [1,1,0,0,0,0|2,0,0]=4 688 B8R0.7 CCCCNCC(=O)O 269956a_100016091260_100000210211 [1,1,0,0,0,0|1,0,1]=4 689 B8R0.7 CNCCCCC(=O)C 34a_100102657272_100009817362 [1,1,0,0,0,0|1,0,1]=4 690 B8R0.7 CNCCCCC(=O)C 7a_106832991635_100000735457 [1,1,0,0,0,0|1,0,1]=4 691 B8R0.7 CNCCCCC(=O)N 34a_100000696515_200000210301 [1,1,0,0,0,0|1,0,1]=4 692 B8R0.7 CNCCCNC(=O)C 34a_100000736810_200000210301 [1,1,0,0,0,0|2,0,0]=4 693 B8R0.7 CNCCCOC(=O)C 34a_100102657272_100000042594 [1,1,0,0,0,0|2,0,0]=4 694 B8R0.7 CNCCCOC(=O)C 7a_106832991635_100000042594 [1,1,0,0,0,0|2,0,0]=4 695 B8R0.7 CNCCCSC(=O)C 2230a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 696 B8R0.7 CNCCCSC(=O)C 34a_100102657272_100000038929 [1,1,0,0,0,0|2,0,0]=4 697 B8R0.7 CNCCCSC(=O)C 7a_106832991635_100000038929 [1,1,0,0,0,0|2,0,0]=4 698 B8R0.7 CNCCOCC(=O)O 269956a_100000700818_200000210301 [1,1,0,0,0,0|1,0,1]=4 699 B8R0.7 NCCCOCC(=O)N 34a_100000182051_100000187820 [1,1,0,0,0,0|1,0,1]=4 700 B8R0.7 NCCCOCC(=O)[O-] 34a_100000182051_100020667443 [1,1,0,0,0,0|0,0,2]=4 701 B8R0.7 NCCOCCC(=O)N 34a_100000210304_100000731001 [1,1,0,0,0,0|1,0,1]=4 702 B8R0.7 O=C(O)CNCCCF 269956a_100016091260_100011934791 [1,1,0,0,0,0|1,0,1]=4 703 B8R0.7 O=C(O)CNCCCO 269956a_100016091260_100011215043 [1,1,0,0,0,0|1,0,1]=4 704 B8R0.7 [13CH3]NCCCCC(=O)N 34a_100000696515_200025704644 [1,1,0,0,0,0|1,0,1]=4 705 B8R0.7 [13CH3]NCCOCC(=O)O 269956a_100000700818_200025704644 [1,1,0,0,0,0|1,0,1]=4 706 B8R0.2 C=C(C)C(=O)C(C)CC 1458a_100000185857_100000758301 [1,1,0,0,0,0|2,0,0]=4 707 B8R0.2 CCC(C)C(=O)C(O)O 1458a_100000233687_100000758301 [1,1,0,0,0,0|0,0,2]=4 708 B8R0.2 CCC(C)C(=O)[C@@H](C)O 1458a_100000717761_100000758301 [1,1,0,0,0,0|1,0,1]=4 709 B8R0.2 CCC(C)C(=O)[C@H](C)O 1458a_217856618621_100000758301 [1,1,0,0,0,0|1,0,1]=4 710 B8R0.2 CCN(C)C(=O)C(=O)N 240690a_100000225621_100011215815 [1,1,0,0,0,0|2,0,0]=4 711 B8R0.14 CCCC(=O)C(C)(C)O 1458a_100000242741_100000210303 [1,1,0,0,0,0|1,0,1]=4 712 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,1,0,0,0,0|1,0,1]=4 713 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,1,0,0,0,0|1,0,1]=4 714 B8R0.23 C=C(C)C(=O)CC(C)C 1458a_100000185857_100000210624 [1,1,0,0,0,0|2,0,0]=4 715 B8R0.23 C=C(C)C(=O)CC(C)O 1458a_100000185857_100011218427 [1,1,0,0,0,0|2,0,0]=4 716 B8R0.23 CC(=O)C(=O)CN(C)C 269982a_100102631434_100011261029 [1,1,0,0,0,0|2,0,0]=4 717 B8R0.23 CC(=O)C(=O)NC(C)C 1458a_100011220036_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B8R0.23 CC(=O)CC(=O)C(=O)C 1458a_100000070787_100011261029 [1,1,0,0,0,0|1,0,1]=4 719 B8R0.23 CC(C)CC(=O)C(O)O 1458a_100000233687_100000210624 [1,1,0,0,0,0|0,0,2]=4 720 B8R0.23 CC(C)CC(=O)[C@@H](C)O 1458a_100000717761_100000210624 [1,1,0,0,0,0|1,0,1]=4 721 B8R0.23 CC(C)CC(=O)[C@H](C)O 1458a_217856618621_100000210624 [1,1,0,0,0,0|1,0,1]=4 722 B8R0.23 CC(C)NC(=O)C(=O)N 240690a_100138425928_100011215815 [1,1,0,0,0,0|2,0,0]=4 723 B8R0.23 CC(C)NC(=O)C(=O)[13CH3] 1458a_100011220036_200025704644 [1,1,0,0,0,0|2,0,0]=4 724 B8R0.23 CC(O)CC(=O)C(O)O 1458a_100000233687_100011218427 [1,1,0,0,0,0|0,0,2]=4 725 B8R0.23 CC(O)CC(=O)[C@@H](C)O 1458a_100000717761_100011218427 [1,1,0,0,0,0|1,0,1]=4 726 B8R0.23 CC(O)CC(=O)[C@H](C)O 1458a_217856618621_100011218427 [1,1,0,0,0,0|1,0,1]=4 727 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100000690238_100000187820 [0,1,0,0,0,1|2,0,0]=4 728 B10R0.6 C#CCCCC(=O)CC(=O)N 1458a_100134613110_100000731252 [0,1,0,0,0,1|2,0,0]=4 729 B10R0.6 C#CCCCC(=O)CC(=O)[O-] 1458a_100000690238_100020667443 [0,1,0,0,0,1|1,0,1]=4 730 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100000766728_100000187820 [0,1,0,0,0,1|2,0,0]=4 731 B10R0.6 C=CCCCC(=O)CC(=O)N 1458a_100134613110_100000757094 [0,1,0,0,0,1|2,0,0]=4 732 B10R0.6 C=CCCCC(=O)CC(=O)[O-] 1458a_100000766728_100020667443 [0,1,0,0,0,1|1,0,1]=4 733 B10R0.6 CC(=O)NC(=O)CSCCF 62a_100011217306_100000183797 [0,1,0,0,0,1|2,0,0]=4 734 B10R0.6 CC(=O)NC(=O)CSCCO 62a_100000211926_100000183797 [0,1,0,0,0,1|2,0,0]=4 735 B10R0.6 CCCCCC(=O)CC(=O)C 1458a_100000070787_200012276598 [0,1,0,0,0,1|2,0,0]=4 736 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100000212188_100000187820 [0,1,0,0,0,1|2,0,0]=4 737 B10R0.6 CCCCCC(=O)CC(=O)N 1458a_100134613110_100000210326 [0,1,0,0,0,1|2,0,0]=4 738 B10R0.6 CCCCCC(=O)CC(=O)[O-] 1458a_100000212188_100020667443 [0,1,0,0,0,1|1,0,1]=4 739 B10R0.6 CCCCNC(=O)CC(=O)C 1458a_100000070787_100000182744 [0,1,0,0,0,1|2,0,0]=4 740 B10R0.6 CCCCNC(=O)CC(=O)N 240690a_100000102301_100134613110 [0,1,0,0,0,1|2,0,0]=4 741 B10R0.6 CCCCNC(=O)CC(=O)N 527a_100000102301_100134613110 [0,1,0,0,0,1|2,0,0]=4 742 B10R0.6 CCCCOC(=O)CC(=O)C 1458a_100000070787_100000211628 [0,1,0,0,0,1|2,0,0]=4 743 B10R0.6 CCCOCC(=O)CC(=O)N 1458a_100000745993_100000187820 [0,1,0,0,0,1|2,0,0]=4 744 B10R0.6 CCCOCC(=O)CC(=O)[O-] 1458a_100000745993_100020667443 [0,1,0,0,0,1|1,0,1]=4 745 B10R0.6 CCCSCC(=O)CC(=O)N 1458a_100000217233_100000187820 [0,1,0,0,0,1|2,0,0]=4 746 B10R0.6 CCCSCC(=O)CC(=O)[O-] 1458a_100000217233_100020667443 [0,1,0,0,0,1|1,0,1]=4 747 B10R0.6 CCCSCC(=O)NC(=O)C 62a_100000210303_100000183797 [0,1,0,0,0,1|2,0,0]=4 748 B10R0.6 CCCSCC(=O)NC(=O)N 62a_100000210303_100000182717 [0,1,0,0,0,1|2,0,0]=4 749 B10R0.6 CCNCCC(=O)NC(=O)N 2230a_100015525214_100000237605 [0,1,0,0,0,1|2,0,0]=4 750 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100000749530_100000187820 [0,1,0,0,0,1|2,0,0]=4 751 B10R0.6 CCOCCC(=O)CC(=O)N 1458a_100134613110_100011215890 [0,1,0,0,0,1|2,0,0]=4 752 B10R0.6 CCOCCC(=O)CC(=O)[O-] 1458a_100000749530_100020667443 [0,1,0,0,0,1|1,0,1]=4 753 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100000230768_100000187820 [0,1,0,0,0,1|2,0,0]=4 754 B10R0.6 CCSCCC(=O)CC(=O)N 1458a_100134613110_100000757381 [0,1,0,0,0,1|2,0,0]=4 755 B10R0.6 CCSCCC(=O)CC(=O)[O-] 1458a_100000230768_100020667443 [0,1,0,0,0,1|1,0,1]=4 756 B10R0.6 CCSCCC(=O)NC(=O)N 62a_100000210202_100000237605 [0,1,0,0,0,1|2,0,0]=4 757 B10R0.6 CNCCOC(=O)CC(=O)C 34a_100102657272_100000102702 [0,1,0,0,0,1|2,0,0]=4 758 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100000741012_100000187820 [0,1,0,0,0,1|2,0,0]=4 759 B10R0.6 COCCCC(=O)CC(=O)N 1458a_100134613110_100000740836 [0,1,0,0,0,1|2,0,0]=4 760 B10R0.6 COCCCC(=O)CC(=O)[O-] 1458a_100000741012_100020667443 [0,1,0,0,0,1|1,0,1]=4 761 B10R0.6 CSCCCC(=O)CC(=O)N 1458a_100000173376_100000187820 [0,1,0,0,0,1|2,0,0]=4 762 B10R0.6 CSCCCC(=O)CC(=O)[O-] 1458a_100000173376_100020667443 [0,1,0,0,0,1|1,0,1]=4 763 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100000075515_100000187820 [0,1,0,0,0,1|1,0,1]=4 764 B10R0.6 N#CCCCC(=O)CC(=O)N 1458a_100134613110_100000211468 [0,1,0,0,0,1|1,0,1]=4 765 B10R0.6 N#CCCCC(=O)CC(=O)[O-] 1458a_100000075515_100020667443 [0,1,0,0,0,1|0,0,2]=4 766 B10R0.6 NC(=O)CC(=O)CCCCF 1458a_100134613110_100000729493 [0,1,0,0,0,1|2,0,0]=4 767 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100000695505_100000187820 [0,1,0,0,0,1|2,0,0]=4 768 B10R0.6 NC(=O)CC(=O)CCCCO 1458a_100134613110_100000210776 [0,1,0,0,0,1|2,0,0]=4 769 B10R0.6 NC(=O)CC(=O)COCCO 1458a_100000708028_100000187820 [0,1,0,0,0,1|2,0,0]=4 770 B10R0.6 NC(=O)CC(=O)NCCCF 240690a_100015189416_100134613110 [0,1,0,0,0,1|2,0,0]=4 771 B10R0.6 NC(=O)CC(=O)NCCCF 527a_100015189416_100134613110 [0,1,0,0,0,1|2,0,0]=4 772 B10R0.6 NC(=O)CC(=O)NCCCO 240690a_100000182051_100134613110 [0,1,0,0,0,1|2,0,0]=4 773 B10R0.6 NC(=O)CC(=O)NCCCO 527a_100000182051_100134613110 [0,1,0,0,0,1|2,0,0]=4 774 B10R0.6 NC(=O)NC(=O)CCSCF 62a_100015361967_100000237605 [0,1,0,0,0,1|2,0,0]=4 775 B10R0.6 NC(=O)NC(=O)CNCCO 2230a_100016997473_100000182717 [0,1,0,0,0,1|2,0,0]=4 776 B10R0.6 NC(=O)NC(=O)CSCCF 62a_100011217306_100000182717 [0,1,0,0,0,1|2,0,0]=4 777 B10R0.6 NC(=O)NC(=O)CSCCO 62a_100000211926_100000182717 [0,1,0,0,0,1|2,0,0]=4 778 B10R0.6 O=C([O-])CC(=O)CCCCO 1458a_100000695505_100020667443 [0,1,0,0,0,1|1,0,1]=4 779 B10R0.6 O=C([O-])CC(=O)COCCO 1458a_100000708028_100020667443 [0,1,0,0,0,1|1,0,1]=4 780 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000211351_100000753159 [0,1,0,0,0,1|1,0,1]=4 781 B10R0.18 C#CCCC(=O)CC(=O)OC 1458a_100000692101_100000747449 [0,1,0,0,0,1|1,0,1]=4 782 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000211351_100000754431 [0,1,0,0,0,1|1,0,1]=4 783 B10R0.18 C=CCCC(=O)CC(=O)OC 1458a_100000749702_100000747449 [0,1,0,0,0,1|1,0,1]=4 784 B10R0.18 CCCCC(=O)CC(=O)CC 1458a_100000210183_100000747405 [0,1,0,0,0,1|2,0,0]=4 785 B10R0.18 CCCCC(=O)CC(=O)NC 1458a_100000210183_100000183359 [0,1,0,0,0,1|2,0,0]=4 786 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000210183_100000747449 [0,1,0,0,0,1|1,0,0]=3 787 B10R0.18 CCCCC(=O)CC(=O)OC 1458a_100000211351_100000210211 [0,1,0,0,0,1|1,0,0]=3 788 B10R0.18 CCCNC(=O)CC(=O)CO 1458a_100000210174_100000183358 [0,1,0,0,0,1|2,0,0]=4 789 B10R0.18 CCCNC(=O)CC(=O)OC 240690a_100020643023_100000211351 [0,1,0,0,0,1|2,0,0]=4 790 B10R0.18 CCCOC(=O)CC(=O)CO 1458a_100000210174_200011215008 [0,1,0,0,0,1|2,0,0]=4 791 B10R0.18 CCOCC(=O)CC(=O)OC 1458a_100000211967_100000747449 [0,1,0,0,0,1|2,0,0]=4 792 B10R0.18 CCSCC(=O)CC(=O)OC 1458a_100000230394_100000747449 [0,1,0,0,0,1|2,0,0]=4 793 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210202_100000210525 [0,1,0,0,0,1|2,0,0]=4 794 B10R0.18 CCSCC(=O)CC(=O)OC 62a_100000210525_100000210202 [0,1,0,0,0,1|2,0,0]=4 795 B10R0.18 CCSCC(=O)NC(=O)OC 62a_100000210202_100000010850 [0,1,0,0,0,1|2,0,0]=4 796 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100000211351_100011215226 [0,1,0,0,0,1|0,0,2]=4 797 B10R0.18 COC(=O)CC(=O)CCC#N 1458a_100011934036_100000747449 [0,1,0,0,0,1|0,0,2]=4 798 B10R0.18 COC(=O)CC(=O)CCCF 1458a_100000211351_100011934791 [0,1,0,0,0,1|1,0,0]=3 799 B10R0.18 COC(=O)CC(=O)CCCO 1458a_100000211351_100011215043 [0,1,0,0,0,1|1,0,0]=3 800 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000174002_100000747449 [0,1,0,0,0,1|2,0,0]=4 801 B10R0.18 COC(=O)CC(=O)CCSC 1458a_100000211351_100000751147 [0,1,0,0,0,1|2,0,0]=4 802 B10R0.18 COC(=O)CC(=O)CSCF 62a_100000210525_100015361967 [0,1,0,0,0,1|2,0,0]=4 803 B10R0.18 COC(=O)CC(=O)CSCF 62a_100015361967_100000210525 [0,1,0,0,0,1|2,0,0]=4 804 B10R0.18 COC(=O)CC(=O)NCCF 240690a_100000724931_100000211351 [0,1,0,0,0,1|2,0,0]=4 805 B10R0.18 COC(=O)CC(=O)NCCO 240690a_100000210304_100000211351 [0,1,0,0,0,1|2,0,0]=4 806 B10R0.18 COC(=O)NC(=O)CSCF 62a_100015361967_100000010850 [0,1,0,0,0,1|2,0,0]=4 807 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000211351_100000233755 [0,1,0,0,0,1|2,0,0]=4 808 B10R0.18 COCCC(=O)CC(=O)OC 1458a_100000749529_100000747449 [0,1,0,0,0,1|2,0,0]=4 809 B10R0.32 CC(CCO)C(=O)CC(=O)N 1458a_100134613110_100009893172 [0,1,0,0,0,1|2,0,0]=4 810 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100000210906_100000187820 [0,1,0,0,0,1|2,0,0]=4 811 B10R0.32 CCCC(C)C(=O)CC(=O)N 1458a_100134613110_100000766640 [0,1,0,0,0,1|2,0,0]=4 812 B10R0.32 CCCC(C)C(=O)CC(=O)[O-] 1458a_100000210906_100020667443 [0,1,0,0,0,1|1,0,1]=4 813 B10R0.32 CCC[C@H](O)C(=O)CC(=O)N 1458a_100009822183_100000187820 [0,1,0,0,0,1|2,0,0]=4 814 B10R0.32 CCC[C@H](O)C(=O)CC(=O)[O-] 1458a_100009822183_100020667443 [0,1,0,0,0,1|1,0,1]=4 815 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100000708755_100000187820 [0,1,0,0,0,1|2,0,0]=4 816 B10R0.44 CCC(C)CC(=O)CC(=O)N 1458a_100134613110_100000748023 [0,1,0,0,0,1|2,0,0]=4 817 B10R0.44 CCC(C)CC(=O)CC(=O)[O-] 1458a_100000708755_100020667443 [0,1,0,0,0,1|1,0,1]=4 818 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100011667805_100000187820 [0,1,0,0,0,1|2,0,0]=4 819 B10R0.44 CCC(O)CC(=O)CC(=O)N 1458a_100134613110_100011218378 [0,1,0,0,0,1|2,0,0]=4 820 B10R0.44 CCC(O)CC(=O)CC(=O)[O-] 1458a_100011667805_100020667443 [0,1,0,0,0,1|1,0,1]=4 821 B10R0.44 CC[C@H](C)CC(=O)CC(=O)N 1458a_100134613110_100009816398 [0,1,0,0,0,1|2,0,0]=4 822 B10R0.44 C[C@@H](CO)CC(=O)CC(=O)N 1458a_100134613110_100000059175 [0,1,0,0,0,1|2,0,0]=4 823 B10R0.81 CCCCC(=O)C(C)C(=O)C 1458a_100000210183_100000179758 [0,1,0,0,0,1|2,0,0]=4 824 B10R0.81 CCCCC(=O)C(C)C(=O)N 1458a_100000210183_100000702099 [0,1,0,0,0,1|2,0,0]=4 825 B10R0.81 CCCCC(=O)C(F)C(=O)N 1458a_100000210183_100009813875 [0,1,0,0,0,1|2,0,0]=4 826 B10R0.81 CCCCC(=O)C(F)C(=O)[O-] 1458a_100000210183_100020610796 [0,1,0,0,0,1|1,0,1]=4 827 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100000181311_100000187820 [0,1,0,0,0,1|2,0,0]=4 828 B10R0.96 CC(C)CCC(=O)CC(=O)N 1458a_100134613110_100000210312 [0,1,0,0,0,1|2,0,0]=4 829 B10R0.96 CC(C)CCC(=O)CC(=O)[O-] 1458a_100000181311_100020667443 [0,1,0,0,0,1|1,0,1]=4 830 B10R0.96 CC(O)CCC(=O)CC(=O)N 1458a_100134613110_100012276601 [0,1,0,0,0,1|2,0,0]=4 831 B10R0.96 NC(=O)CCC(=O)CC(=O)N 1458a_100011215257_100000187820 [0,1,0,0,0,1|1,0,1]=4 832 B10R0.96 NC(=O)CCC(=O)CC(=O)[O-] 1458a_100011215257_100020667443 [0,1,0,0,0,1|0,0,2]=4 833 B10R0.35 CCCC(C)C(=O)C(=O)NC 1458a_100011218921_100000766640 [0,2,0,0,0,0|2,0,0]=4 834 B10R0.35 CCCN(C)C(=O)C(=O)OC 11a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 835 B10R0.35 CCCN(C)C(=O)C(=O)OC 1626a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 836 B10R0.35 CCCN(C)C(=O)C(=O)OC 240690a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 837 B10R0.35 CCCN(C)C(=O)C(=O)OC 527a_100000747261_100000024059 [0,2,0,0,0,0|2,0,0]=4 838 B10R0.35 CCNC(C)C(=O)C(=O)OC 2230a_100015525214_100000692041 [0,2,0,0,0,0|2,0,0]=4 839 B10R0.35 CCOC(C)C(=O)C(=O)OC 34a_100121572206_100000692041 [0,2,0,0,0,0|2,0,0]=4 840 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000210202_100000692041 [0,2,0,0,0,0|2,0,0]=4 841 B10R0.35 CCSC(C)C(=O)C(=O)OC 62a_100000692041_100000210202 [0,2,0,0,0,0|2,0,0]=4 842 B10R0.35 CNC(=O)C(=O)C(C)CCO 1458a_100011218921_100009893172 [0,2,0,0,0,0|2,0,0]=4 843 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100000692041_100015361967 [0,2,0,0,0,0|2,0,0]=4 844 B10R0.35 COC(=O)C(=O)C(C)SCF 62a_100015361967_100000692041 [0,2,0,0,0,0|2,0,0]=4 845 B10R0.35 COC(=O)C(=O)N(C)CCO 240690a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 846 B10R0.35 COC(=O)C(=O)N(C)CCO 527a_100000210263_100000024059 [0,2,0,0,0,0|2,0,0]=4 847 B10R0.57 CNC(=O)C(=O)CCC(C)C 1458a_100011218921_100000210312 [0,2,0,0,0,0|2,0,0]=4 848 B10R0.57 CNC(=O)C(=O)CCC(C)O 1458a_100011218921_100012276601 [0,2,0,0,0,0|2,0,0]=4 849 B10R0.57 COC(=O)C(=O)CNC(C)C 34a_100138425928_100011610305 [0,2,0,0,0,0|2,0,0]=4 850 B10R0.57 COC(=O)C(=O)COC(C)C 34a_100000212225_100011610305 [0,2,0,0,0,0|2,0,0]=4 851 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100000210206_100011610305 [0,2,0,0,0,0|2,0,0]=4 852 B10R0.57 COC(=O)C(=O)CSC(C)C 62a_100011610305_100000210206 [0,2,0,0,0,0|2,0,0]=4 853 B10R0.57 COC(=O)C(=O)NCC(=O)N 11a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 854 B10R0.57 COC(=O)C(=O)NCC(=O)N 240690a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 855 B10R0.57 COC(=O)C(=O)NCC(=O)N 527a_100000711301_100000024059 [0,2,0,0,0,0|1,0,1]=4 856 B10R0.57 COC(=O)C(=O)NCC(C)C 11a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 857 B10R0.57 COC(=O)C(=O)NCC(C)C 1626a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 858 B10R0.57 COC(=O)C(=O)NCC(C)C 240690a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 859 B10R0.57 COC(=O)C(=O)NCC(C)C 527a_100000210953_100000024059 [0,2,0,0,0,0|2,0,0]=4 860 B10R0.57 COC(=O)C(=O)NCC(C)O 11a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 861 B10R0.57 COC(=O)C(=O)NCC(C)O 240690a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 862 B10R0.57 COC(=O)C(=O)NCC(C)O 527a_100000210904_100000024059 [0,2,0,0,0,0|2,0,0]=4 863 B10R0.57 COC(=O)C(=O)NCC(F)F 11a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 864 B10R0.57 COC(=O)C(=O)NCC(F)F 1626a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 865 B10R0.57 COC(=O)C(=O)NCC(F)F 240690a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 866 B10R0.57 COC(=O)C(=O)NCC(F)F 527a_100000765723_100000024059 [0,2,0,0,0,0|2,0,0]=4 867 B10R0.82 CC(=O)C(=O)COC(C)CF 34a_100016041109_100011261029 [0,2,0,0,0,0|2,0,0]=4 868 B10R0.82 CC(=O)C(=O)COC(C)CN 34a_100000210904_100011261029 [0,2,0,0,0,0|1,0,0]=3 869 B10R0.82 CC(=O)C(=O)CSC(C)CO 62a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 870 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100011261029_100016084084 [0,2,0,0,0,0|2,0,0]=4 871 B10R0.82 CC(=O)C(=O)CS[C@H](C)CO 62a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 872 B10R0.82 CC(CO)CNC(=O)C(=O)N 240690a_100000744482_100011215815 [0,2,0,0,0,0|2,0,0]=4 873 B10R0.82 CCC(C)CNC(=O)C(=O)N 240690a_100020588543_100011215815 [0,2,0,0,0,0|2,0,0]=4 874 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100000758301_100011261029 [0,2,0,0,0,0|2,0,0]=4 875 B10R0.82 CCC(C)SCC(=O)C(=O)C 62a_100011261029_100000758301 [0,2,0,0,0,0|2,0,0]=4 876 B10R0.82 CCC(O)CNC(=O)C(=O)N 240690a_100011218483_100011215815 [0,2,0,0,0,0|2,0,0]=4 877 B10R0.82 NC(=O)C(=O)NC[C@@H](F)CO 240690a_100015665980_100011215815 [0,2,0,0,0,0|2,0,0]=4 878 B10R0.82 NC(=O)C(=O)NC[C@H](O)CO 240690a_100020644852_100011215815 [0,2,0,0,0,0|2,0,0]=4 879 B10R0.19 CCCCC(=O)/C(=N/OC)/C 1458a_100160996864_100000210211 [0,2,0,0,0,0|2,0,0]=4 880 B10R0.19 CCCCC(=O)C(=O)NCC 1458a_200011297158_100000210211 [0,2,0,0,0,0|2,0,0]=4 881 B10R0.19 CCCNC(=O)C(=O)CCO 1458a_200011297150_100000211926 [0,2,0,0,0,0|2,0,0]=4 882 B10R0.19 CCCNC(=O)C(=O)OCC 11a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 883 B10R0.19 CCCNC(=O)C(=O)OCC 1626a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 884 B10R0.19 CCCNC(=O)C(=O)OCC 240690a_100020643023_100014798877 [0,2,0,0,0,0|2,0,0]=4 885 B10R0.19 CCNC(=O)C(=O)CCCF 1458a_200011297158_100011934791 [0,2,0,0,0,0|2,0,0]=4 886 B10R0.19 CCNC(=O)C(=O)CCCO 1458a_200011297158_100011215043 [0,2,0,0,0,0|2,0,0]=4 887 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000210202_100000211299 [0,2,0,0,0,0|2,0,0]=4 888 B10R0.19 CCOC(=O)C(=O)CSCC 62a_100000211299_100000210202 [0,2,0,0,0,0|2,0,0]=4 889 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100000211299_100015361967 [0,2,0,0,0,0|2,0,0]=4 890 B10R0.19 CCOC(=O)C(=O)CSCF 62a_100015361967_100000211299 [0,2,0,0,0,0|2,0,0]=4 891 B10R0.19 CCOC(=O)C(=O)NCCF 11a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 892 B10R0.19 CCOC(=O)C(=O)NCCF 1626a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 893 B10R0.19 CCOC(=O)C(=O)NCCF 240690a_100000724931_100014798877 [0,2,0,0,0,0|2,0,0]=4 894 B10R0.19 CCOC(=O)C(=O)NCCO 240690a_100000210304_100014798877 [0,2,0,0,0,0|2,0,0]=4 895 B10R0.19 CO/N=C(\C)/C(=O)CCCF 1458a_100160996864_100011934791 [0,2,0,0,0,0|2,0,0]=4 896 B10R0.19 CO/N=C(\C)/C(=O)CCCO 1458a_100160996864_100011215043 [0,2,0,0,0,0|2,0,0]=4 897 B10R0.46 CCC(C)CC(=O)C(=O)NC 1458a_100011218921_100000748023 [0,2,0,0,0,0|2,0,0]=4 898 B10R0.46 CCC(C)NC(=O)C(=O)OC 11a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 899 B10R0.46 CCC(C)NC(=O)C(=O)OC 1626a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 900 B10R0.46 CCC(C)NC(=O)C(=O)OC 240690a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 901 B10R0.46 CCC(C)NC(=O)C(=O)OC 527a_100000209981_100000024059 [0,2,0,0,0,0|2,0,0]=4 902 B10R0.46 CCC(O)CC(=O)C(=O)NC 1458a_100011218921_100011218378 [0,2,0,0,0,0|2,0,0]=4 903 B10R0.46 CC[C@H](C)CC(=O)C(=O)NC 1458a_100011218921_100009816398 [0,2,0,0,0,0|2,0,0]=4 904 B10R0.46 CNC(=O)C(=O)C[C@@H](C)CO 1458a_100011218921_100000059175 [0,2,0,0,0,0|2,0,0]=4 905 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 11a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 906 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 1626a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 907 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 240690a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 908 B10R0.46 COC(=O)C(=O)N[C@H](C)CF 527a_100102880703_100000024059 [0,2,0,0,0,0|2,0,0]=4 909 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 240690a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 910 B10R0.46 COC(=O)C(=O)N[C@H](C)CO 527a_100000737577_100000024059 [0,2,0,0,0,0|2,0,0]=4 911 B10R0.83 C#CCCCC(=O)C(=O)NC 1458a_100011218921_100000731252 [0,2,0,0,0,0|2,0,0]=4 912 B10R0.83 C#CCCNC(=O)C(=O)OC 11a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 913 B10R0.83 C#CCCNC(=O)C(=O)OC 1626a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 914 B10R0.83 C#CCCNC(=O)C(=O)OC 240690a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 915 B10R0.83 C#CCCNC(=O)C(=O)OC 527a_100000755551_100000024059 [0,2,0,0,0,0|1,0,1]=4 916 B10R0.83 C#CCNCC(=O)C(=O)OC 34a_100000212058_100011610305 [0,2,0,0,0,0|1,0,1]=4 917 B10R0.83 C#CCOCC(=O)C(=O)OC 34a_100000210247_100011610305 [0,2,0,0,0,0|1,0,1]=4 918 B10R0.83 C#CCSCC(=O)C(=O)OC 62a_100000038162_100011610305 [0,2,0,0,0,0|1,0,1]=4 919 B10R0.83 C=C(CNCCF)C(=O)OC 34a_100000724931_100009813391 [0,2,0,0,0,0|2,0,0]=4 920 B10R0.83 C=C(CNCCO)C(=O)OC 34a_100016990907_100009813391 [0,2,0,0,0,0|2,0,0]=4 921 B10R0.83 C=C(COCCBr)C(=O)OC 34a_100000211926_100009813391 [0,2,0,0,0,0|2,0,0]=4 922 B10R0.83 C=C(COCCC)C(=O)OC 34a_100000210258_100009813391 [0,2,0,0,0,0|2,0,0]=4 923 B10R0.83 C=C(COCCN)C(=O)OC 34a_100000210304_100009813391 [0,2,0,0,0,0|1,0,0]=3 924 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100000210303_100009813391 [0,2,0,0,0,0|2,0,0]=4 925 B10R0.83 C=C(CSCCC)C(=O)OC 62a_100009813391_100000210303 [0,2,0,0,0,0|2,0,0]=4 926 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100009813391_100011217306 [0,2,0,0,0,0|2,0,0]=4 927 B10R0.83 C=C(CSCCF)C(=O)OC 62a_100011217306_100009813391 [0,2,0,0,0,0|2,0,0]=4 928 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100000211926_100009813391 [0,2,0,0,0,0|2,0,0]=4 929 B10R0.83 C=C(CSCCO)C(=O)OC 62a_100009813391_100000211926 [0,2,0,0,0,0|2,0,0]=4 930 B10R0.83 C=CCCCC(=O)C(=O)NC 1458a_100011218921_100000757094 [0,2,0,0,0,0|2,0,0]=4 931 B10R0.83 C=CCCNC(=O)C(=O)OC 11a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 932 B10R0.83 C=CCCNC(=O)C(=O)OC 1626a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 933 B10R0.83 C=CCCNC(=O)C(=O)OC 240690a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 934 B10R0.83 C=CCCNC(=O)C(=O)OC 527a_100015191253_100000024059 [0,2,0,0,0,0|1,0,1]=4 935 B10R0.83 C=CCOCC(=O)C(=O)OC 34a_200000210373_100011610305 [0,2,0,0,0,0|1,0,1]=4 936 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100000210623_100011610305 [0,2,0,0,0,0|1,0,1]=4 937 B10R0.83 C=CCSCC(=O)C(=O)OC 62a_100011610305_100000210623 [0,2,0,0,0,0|1,0,1]=4 938 B10R0.83 CCCCCC(=O)C(=O)NC 1458a_100011218921_100000210326 [0,2,0,0,0,0|2,0,0]=4 939 B10R0.83 CCCCNC(=O)C(=O)NC 1626a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 940 B10R0.83 CCCCNC(=O)C(=O)NC 240690a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 941 B10R0.83 CCCCNC(=O)C(=O)NC 527a_100000102301_100011218921 [0,2,0,0,0,0|2,0,0]=4 942 B10R0.83 CCCCNC(=O)C(=O)OC 11a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 943 B10R0.83 CCCCNC(=O)C(=O)OC 1626a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 944 B10R0.83 CCCCNC(=O)C(=O)OC 240690a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 945 B10R0.83 CCCCNC(=O)C(=O)OC 527a_100000102301_100000024059 [0,2,0,0,0,0|1,0,0]=3 946 B10R0.83 CCCOCC(=O)C(=O)OC 34a_100000210258_100011610305 [0,2,0,0,0,0|1,0,0]=3 947 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100000210303_100011610305 [0,2,0,0,0,0|1,0,0]=3 948 B10R0.83 CCCSCC(=O)C(=O)OC 62a_100011610305_100000210303 [0,2,0,0,0,0|1,0,0]=3 949 B10R0.83 CCOCCC(=O)C(=O)NC 1458a_100011218921_100011215890 [0,2,0,0,0,0|2,0,0]=4 950 B10R0.83 CCSCCC(=O)C(=O)NC 1458a_100011218921_100000757381 [0,2,0,0,0,0|2,0,0]=4 951 B10R0.83 CNC(=O)C(=O)CCCC#N 1458a_100011218921_100000211468 [0,2,0,0,0,0|1,0,1]=4 952 B10R0.83 CNC(=O)C(=O)CCCCF 1458a_100011218921_100000729493 [0,2,0,0,0,0|2,0,0]=4 953 B10R0.83 CNC(=O)C(=O)CCCCO 1458a_100011218921_100000210776 [0,2,0,0,0,0|2,0,0]=4 954 B10R0.83 CNC(=O)C(=O)CCCOC 1458a_100011218921_100000740836 [0,2,0,0,0,0|2,0,0]=4 955 B10R0.83 CNC(=O)C(=O)NCCCF 1626a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 956 B10R0.83 CNC(=O)C(=O)NCCCF 240690a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 957 B10R0.83 CNC(=O)C(=O)NCCCF 527a_100015189416_100011218921 [0,2,0,0,0,0|2,0,0]=4 958 B10R0.83 CNC(=O)C(=O)NCCCO 240690a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 959 B10R0.83 CNC(=O)C(=O)NCCCO 527a_100000182051_100011218921 [0,2,0,0,0,0|2,0,0]=4 960 B10R0.83 CNCCCC(=O)N(C)OC 7a_106832991635_100011842776 [0,2,0,0,0,0|2,0,0]=4 961 B10R0.83 COC(=O)C(=O)CNCCF 34a_100000724931_100011610305 [0,2,0,0,0,0|1,0,0]=3 962 B10R0.83 COC(=O)C(=O)CNCCO 34a_100016990907_100011610305 [0,2,0,0,0,0|1,0,0]=3 963 B10R0.83 COC(=O)C(=O)COCCBr 34a_100000211926_100011610305 [0,2,0,0,0,0|1,0,0]=3 964 B10R0.83 COC(=O)C(=O)COCCN 34a_100000210304_100011610305 [0,2,0,0,0,0|0,0,0]=2 965 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011215382_100011610305 [0,2,0,0,0,0|0,0,2]=4 966 B10R0.83 COC(=O)C(=O)CSCC#N 62a_100011610305_100011215382 [0,2,0,0,0,0|0,0,2]=4 967 B10R0.83 COC(=O)C(=O)CSCC=O 62a_100011610305_200015260668 [0,2,0,0,0,0|1,0,1]=4 968 B10R0.83 COC(=O)C(=O)CSCC=O 62a_200015260668_100011610305 [0,2,0,0,0,0|1,0,1]=4 969 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011217306_100011610305 [0,2,0,0,0,0|1,0,0]=3 970 B10R0.83 COC(=O)C(=O)CSCCF 62a_100011610305_100011217306 [0,2,0,0,0,0|1,0,0]=3 971 B10R0.83 COC(=O)C(=O)CSCCO 62a_100000211926_100011610305 [0,2,0,0,0,0|1,0,0]=3 972 B10R0.83 COC(=O)C(=O)CSCCO 62a_100011610305_100000211926 [0,2,0,0,0,0|1,0,0]=3 973 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011218213_100011610305 [0,2,0,0,0,0|2,0,0]=4 974 B10R0.83 COC(=O)C(=O)CSCSC 62a_100011610305_100011218213 [0,2,0,0,0,0|2,0,0]=4 975 B10R0.83 COC(=O)C(=O)NCCC#N 11a_100000720768_100000024059 [0,2,0,0,0,0|0,0,2]=4 976 B10R0.83 COC(=O)C(=O)NCCC#N 1626a_100000720768_100000024059 [0,2,0,0,0,0|0,0,2]=4 977 B10R0.83 COC(=O)C(=O)NCCC#N 240690a_100000720768_100000024059 [0,2,0,0,0,0|0,0,2]=4 978 B10R0.83 COC(=O)C(=O)NCCC#N 527a_100000720768_100000024059 [0,2,0,0,0,0|0,0,2]=4 979 B10R0.83 COC(=O)C(=O)NCCCF 11a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 980 B10R0.83 COC(=O)C(=O)NCCCF 1626a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 981 B10R0.83 COC(=O)C(=O)NCCCF 240690a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 982 B10R0.83 COC(=O)C(=O)NCCCF 527a_100015189416_100000024059 [0,2,0,0,0,0|1,0,0]=3 983 B10R0.83 COC(=O)C(=O)NCCCO 240690a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 984 B10R0.83 COC(=O)C(=O)NCCCO 527a_100000182051_100000024059 [0,2,0,0,0,0|1,0,0]=3 985 B10R0.83 COC(=O)C(=O)NCCSC 11a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 986 B10R0.83 COC(=O)C(=O)NCCSC 1626a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 987 B10R0.83 COC(=O)C(=O)NCCSC 240690a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 988 B10R0.83 COC(=O)C(=O)NCCSC 527a_100020590264_100000024059 [0,2,0,0,0,0|2,0,0]=4 989 B10R0.83 COC(=O)C(C)COCCN 34a_100000210304_100000698445 [0,2,0,0,0,0|1,0,1]=4 990 B10R0.83 COC(=O)C(C)OCCCN 34a_100000182051_100000211248 [0,2,0,0,0,0|1,0,1]=4 991 B10R0.83 COCCNC(=O)C(=O)OC 1626a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 992 B10R0.83 COCCNC(=O)C(=O)OC 240690a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 993 B10R0.83 COCCNC(=O)C(=O)OC 527a_100000209980_100000024059 [0,2,0,0,0,0|2,0,0]=4 994 B10R0.83 COCSCC(=O)C(=O)OC 62a_100000766300_100011610305 [0,2,0,0,0,0|2,0,0]=4 995 B10R0.83 COCSCC(=O)C(=O)OC 62a_100011610305_100000766300 [0,2,0,0,0,0|2,0,0]=4 996 B10R0.85 COC(=O)C(C=O)OCCN 34a_100000210304_100000046368 [0,2,0,0,0,0|1,0,1]=4 997 B10R0.26 CC(=O)C(=O)CC(=O)CCO 1458a_100011216618_100011261029 [0,2,0,0,0,0|2,0,0]=4 998 B10R0.26 CC(=O)C(=O)CN(C)CCO 269982a_100000210263_100011261029 [0,2,0,0,0,0|2,0,0]=4 999 B10R0.26 CCCC(=O)CC(=O)C(=O)C 1458a_100000211992_100011261029 [0,2,0,0,0,0|2,0,0]=4 1000 B10R0.26 CCCC(C)NC(=O)C(=O)N 240690a_100000741246_100011215815 [0,2,0,0,0,0|2,0,0]=4 1001 B10R0.26 CCCN(C)CC(=O)C(=O)C 269982a_100000747261_100011261029 [0,2,0,0,0,0|2,0,0]=4 1002 B10R0.26 C[C@H](CCO)NC(=O)C(=O)N 240690a_100000706166_100011215815 [0,2,0,0,0,0|2,0,0]=4 1003 B10R0.75 C#CCCCNC(=O)C(=O)N 240690a_100000718082_100011215815 [0,2,0,0,0,0|2,0,0]=4 1004 B10R0.75 C#CCCNCC(=O)C(=O)C 34a_100000755551_100011261029 [0,2,0,0,0,0|2,0,0]=4 1005 B10R0.75 C#CCCOCC(=O)C(=O)C 34a_100011215631_100011261029 [0,2,0,0,0,0|2,0,0]=4 1006 B10R0.75 C#CCCSCC(=O)C(=O)C 62a_100000688953_100011261029 [0,2,0,0,0,0|2,0,0]=4 1007 B10R0.75 C#CCCSCC(=O)C(=O)C 62a_100011261029_100000688953 [0,2,0,0,0,0|2,0,0]=4 1008 B10R0.75 C=C(C)C(=O)NCCCNC 2230a_100016987756_200000210301 [0,2,0,0,0,0|2,0,0]=4 1009 B10R0.75 C=C(C)C(=O)NCCCN[13CH3] 2230a_100016987756_200025704644 [0,2,0,0,0,0|2,0,0]=4 1010 B10R0.75 C=CCCCNC(=O)C(=O)N 240690a_100000700776_100011215815 [0,2,0,0,0,0|2,0,0]=4 1011 B10R0.75 C=CCCOCC(=O)C(=O)C 34a_100011205117_100011261029 [0,2,0,0,0,0|2,0,0]=4 1012 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100000754431_100011261029 [0,2,0,0,0,0|2,0,0]=4 1013 B10R0.75 C=CCCSCC(=O)C(=O)C 62a_100011261029_100000754431 [0,2,0,0,0,0|2,0,0]=4 1014 B10R0.75 CC(=O)C(=O)CNCCCF 34a_100015189416_100011261029 [0,2,0,0,0,0|2,0,0]=4 1015 B10R0.75 CC(=O)C(=O)COCCCBr 34a_100011217188_100011261029 [0,2,0,0,0,0|2,0,0]=4 1016 B10R0.75 CC(=O)C(=O)COCCCCl 34a_100000230001_100011261029 [0,2,0,0,0,0|2,0,0]=4 1017 B10R0.75 CC(=O)C(=O)COCCCF 34a_100000759539_100011261029 [0,2,0,0,0,0|2,0,0]=4 1018 B10R0.75 CC(=O)C(=O)COCCCN 34a_100000182051_100011261029 [0,2,0,0,0,0|1,0,0]=3 1019 B10R0.75 CC(=O)C(=O)COCCON 34a_100000700252_100011261029 [0,2,0,0,0,0|1,0,0]=3 1020 B10R0.75 CC(=O)C(=O)CSCCC#N 62a_100011215226_100011261029 [0,2,0,0,0,0|1,0,1]=4 1021 B10R0.75 CC(=O)C(=O)CSCCC#N 62a_100011261029_100011215226 [0,2,0,0,0,0|1,0,1]=4 1022 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011261029_100011934791 [0,2,0,0,0,0|2,0,0]=4 1023 B10R0.75 CC(=O)C(=O)CSCCCF 62a_100011934791_100011261029 [0,2,0,0,0,0|2,0,0]=4 1024 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011215043_100011261029 [0,2,0,0,0,0|2,0,0]=4 1025 B10R0.75 CC(=O)C(=O)CSCCCO 62a_100011261029_100011215043 [0,2,0,0,0,0|2,0,0]=4 1026 B10R0.75 CCCCCNC(=O)C(=O)N 240690a_100000209983_100011215815 [0,2,0,0,0,0|2,0,0]=4 1027 B10R0.75 CCCCNNC(=O)C(=O)N 22a_100025702795_100011215815 [0,2,0,0,0,0|2,0,0]=4 1028 B10R0.75 CCCCOCC(=O)C(=O)C 34a_100000210227_100011261029 [0,2,0,0,0,0|2,0,0]=4 1029 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100000210211_100011261029 [0,2,0,0,0,0|2,0,0]=4 1030 B10R0.75 CCCCSCC(=O)C(=O)C 62a_100011261029_100000210210 [0,2,0,0,0,0|2,0,0]=4 1031 B10R0.75 CCOCCNC(=O)C(=O)N 240690a_100011200944_100011215815 [0,2,0,0,0,0|2,0,0]=4 1032 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100000739092_100011261029 [0,2,0,0,0,0|2,0,0]=4 1033 B10R0.75 CCOCSCC(=O)C(=O)C 62a_100011261029_100000739092 [0,2,0,0,0,0|2,0,0]=4 1034 B10R0.75 CCSCCNC(=O)C(=O)N 240690a_100000106463_100011215815 [0,2,0,0,0,0|2,0,0]=4 1035 B10R0.75 COCCCNC(=O)C(=O)N 240690a_100150723488_100011215815 [0,2,0,0,0,0|2,0,0]=4 1036 B10R0.75 COCCOCC(=O)C(=O)C 34a_100000210237_100011261029 [0,2,0,0,0,0|2,0,0]=4 1037 B10R0.75 COCCSCC(=O)C(=O)C 62a_100000233755_100011261029 [0,2,0,0,0,0|2,0,0]=4 1038 B10R0.75 COCCSCC(=O)C(=O)C 62a_100011261029_100000233755 [0,2,0,0,0,0|2,0,0]=4 1039 B10R0.75 CSCCCNC(=O)C(=O)N 240690a_100000749238_100011215815 [0,2,0,0,0,0|2,0,0]=4 1040 B10R0.75 CSCCOCC(=O)C(=O)C 34a_100000230434_100011261029 [0,2,0,0,0,0|2,0,0]=4 1041 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100000212216_100011261029 [0,2,0,0,0,0|2,0,0]=4 1042 B10R0.75 CSCCSCC(=O)C(=O)C 62a_100011261029_100000751147 [0,2,0,0,0,0|2,0,0]=4 1043 B10R0.75 NC(=O)C(=O)NCCCCO 240690a_100000750430_100011215815 [0,2,0,0,0,0|2,0,0]=4 1044 B10R0.98 C=C(C)C(=O)CCCC(=O)N 1458a_100000185857_100102525003 [0,2,0,0,0,0|2,0,0]=4 1045 B10R0.98 C=C(C)C(=O)CCCN(C)C 1458a_100000185857_100000695564 [0,2,0,0,0,0|2,0,0]=4 1046 B10R0.98 CC(=O)C(=O)CNCC(C)C 34a_100000210953_100011261029 [0,2,0,0,0,0|2,0,0]=4 1047 B10R0.98 CC(=O)C(=O)CNCC(C)O 34a_100000210904_100011261029 [0,2,0,0,0,0|2,0,0]=4 1048 B10R0.98 CC(=O)C(=O)CNCC(F)F 34a_100000765723_100011261029 [0,2,0,0,0,0|2,0,0]=4 1049 B10R0.98 CC(=O)C(=O)COCC(C)Br 34a_100012180447_100011261029 [0,2,0,0,0,0|2,0,0]=4 1050 B10R0.98 CC(=O)C(=O)COCC(C)C 34a_100000210257_100011261029 [0,2,0,0,0,0|2,0,0]=4 1051 B10R0.98 CC(=O)C(=O)COCC(C)F 34a_100015925927_100011261029 [0,2,0,0,0,0|2,0,0]=4 1052 B10R0.98 CC(=O)C(=O)COCC(F)F 34a_100000743014_100011261029 [0,2,0,0,0,0|2,0,0]=4 1053 B10R0.98 CC(=O)C(=O)COC[C@@H](C)Cl 34a_100016084084_100011261029 [0,2,0,0,0,0|2,0,0]=4 1054 B10R0.98 CC(=O)C(=O)COC[C@@H](C)N 34a_100000737577_100011261029 [0,2,0,0,0,0|1,0,0]=3 1055 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100000747473_100011261029 [0,2,0,0,0,0|1,0,1]=4 1056 B10R0.98 CC(=O)C(=O)CSCC(=O)N 62a_100011261029_100000747473 [0,2,0,0,0,0|1,0,1]=4 1057 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100000210624_100011261029 [0,2,0,0,0,0|2,0,0]=4 1058 B10R0.98 CC(=O)C(=O)CSCC(C)C 62a_100011261029_100000210760 [0,2,0,0,0,0|2,0,0]=4 1059 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011218427_100011261029 [0,2,0,0,0,0|2,0,0]=4 1060 B10R0.98 CC(=O)C(=O)CSCC(C)O 62a_100011261029_100011218427 [0,2,0,0,0,0|2,0,0]=4 1061 B10R0.98 CC(=O)C(=O)CSCC(F)F 62a_100011261029_100011934356 [0,2,0,0,0,0|2,0,0]=4 1062 B10R0.98 CC(=O)C(=O)CSCC(F)F 62a_100011934356_100011261029 [0,2,0,0,0,0|2,0,0]=4 1063 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100009817552_100011261029 [0,2,0,0,0,0|2,0,0]=4 1064 B10R0.98 CC(=O)C(=O)CSC[C@@H](C)O 62a_100011261029_100009817552 [0,2,0,0,0,0|2,0,0]=4 1065 B10R0.98 CC(C)CCNC(=O)C(=O)N 240690a_100000210545_100011215815 [0,2,0,0,0,0|2,0,0]=4 1066 B10R0.98 CC(O)CCNC(=O)C(=O)N 240690a_200000755665_100011215815 [0,2,0,0,0,0|2,0,0]=4 1067 B10R0.98 CN(C)CCCC(=O)C(O)O 1458a_100000233687_100000695564 [0,2,0,0,0,0|0,0,2]=4 1068 B10R0.98 CN(C)CCNC(=O)C(=O)N 240690a_100000210585_100011215815 [0,2,0,0,0,0|2,0,0]=4 1069 B10R0.98 C[C@@H](O)C(=O)CCCC(=O)N 1458a_100000717761_100102525003 [0,2,0,0,0,0|1,0,1]=4 1070 B10R0.98 C[C@@H](O)C(=O)CCCN(C)C 1458a_100000717761_100000695564 [0,2,0,0,0,0|1,0,1]=4 1071 B10R0.98 C[C@H](O)C(=O)CCCC(=O)N 1458a_217856618621_100102525003 [0,2,0,0,0,0|1,0,1]=4 1072 B10R0.98 C[C@H](O)C(=O)CCCN(C)C 1458a_217856618621_100000695564 [0,2,0,0,0,0|1,0,1]=4 1073 B10R0.98 NC(=O)CCCC(=O)C(O)O 1458a_100000233687_100102525003 [0,2,0,0,0,0|0,0,2]=4 1074 B10R0.98 NC(=O)CCNC(=O)C(=O)N 240690a_100000740010_100011215815 [0,2,0,0,0,0|1,0,1]=4 1075 B8R1.38 C=CC(=O)C1CCC1 1458a_100000185746_100000749161 [1,0,0,1,0,0|2,0,0]=4 1076 B8R1.38 O=C(CO)C1CCC1 1458a_100000210174_100000749161 [1,0,0,1,0,0|1,0,1]=4 1077 B8R1.40 C=CC(=O)CC1CC1 1458a_100000185746_100000742324 [1,0,0,1,0,0|2,0,0]=4 1078 B8R1.40 C=CC(=O)CC1CO1 1458a_100000185746_100011216344 [1,0,0,1,0,0|2,0,0]=4 1079 B8R1.40 C=CC(=O)CC1CS1 1458a_100000185746_100000031435 [1,0,0,1,0,0|2,0,0]=4 1080 B8R1.40 C=CC(=O)C[C@@H]1CO1 1458a_100000185746_100000745022 [1,0,0,1,0,0|2,0,0]=4 1081 B8R1.40 O=C(CO)CC1CC1 1458a_100000210174_100000742324 [1,0,0,1,0,0|1,0,1]=4 1082 B8R1.40 O=C(CO)CC1CO1 1458a_100000210174_100011216344 [1,0,0,1,0,0|1,0,1]=4 1083 B8R1.40 O=C(CO)CC1CS1 1458a_100000210174_100000031435 [1,0,0,1,0,0|1,0,1]=4 1084 B8R1.40 O=C(CO)C[C@@H]1CO1 1458a_100000210174_100000745022 [1,0,0,1,0,0|1,0,1]=4 1085 B8R1.7 CC(=O)C1=CCCC1 1458a_100000038896_200000210301 [1,0,0,1,0,0|2,0,0]=4 1086 B8R1.7 [13CH3]C(=O)C1=CCCC1 1458a_100000038896_200025704644 [1,0,0,1,0,0|2,0,0]=4 1087 B8R1.37 CCCC(=O)C1CO1 1458a_100000701028_100000210303 [1,0,0,1,0,0|1,0,1]=4 1088 B10R1.61 CC(=O)C1CCCCC1=O 1458a_100000070787_100000204591 [0,0,0,1,0,1|2,0,0]=4 1089 B10R1.110 CC1CC1C(=O)CC(=O)N 1458a_100000211227_100000187820 [0,0,0,1,0,1|2,0,0]=4 1090 B10R1.110 CC1CC1C(=O)CC(=O)[O-] 1458a_100000211227_100020667443 [0,0,0,1,0,1|1,0,1]=4 1091 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 1092 B10R1.110 O=C([O-])CC(=O)[C@@H]1C[C@@H]1F 1458a_100015396687_100020667443 [0,0,0,1,0,1|1,0,1]=4 1093 B10R1.266 CC(=O)CC(=O)C1CCC1 1458a_100000070787_100000686122 [0,0,0,1,0,1|2,0,0]=4 1094 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100000209988_100000187820 [0,0,0,1,0,1|2,0,0]=4 1095 B10R1.266 NC(=O)CC(=O)C1CCC1 1458a_100134613110_100000749161 [0,0,0,1,0,1|2,0,0]=4 1096 B10R1.266 NC(=O)CC(=O)C1CCO1 1458a_100000089072_100000187820 [0,0,0,1,0,1|2,0,0]=4 1097 B10R1.266 O=C([O-])CC(=O)C1CCC1 1458a_100000209988_100020667443 [0,0,0,1,0,1|1,0,1]=4 1098 B10R1.266 O=C([O-])CC(=O)C1CCO1 1458a_100000089072_100020667443 [0,0,0,1,0,1|1,0,1]=4 1099 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100000738066_100000187820 [0,0,0,1,0,1|2,0,0]=4 1100 B10R1.268 NC(=O)CC(=O)CC1CC1 1458a_100134613110_100000742324 [0,0,0,1,0,1|2,0,0]=4 1101 B10R1.268 NC(=O)CC(=O)CC1CO1 1458a_100134613110_100011216344 [0,0,0,1,0,1|2,0,0]=4 1102 B10R1.268 NC(=O)CC(=O)CC1CS1 1458a_100134613110_100000031435 [0,0,0,1,0,1|2,0,0]=4 1103 B10R1.268 NC(=O)CC(=O)C[C@@H]1CO1 1458a_100134613110_100000745022 [0,0,0,1,0,1|2,0,0]=4 1104 B10R1.268 O=C([O-])CC(=O)CC1CC1 1458a_100000738066_100020667443 [0,0,0,1,0,1|1,0,1]=4 1105 B10R1.23 NC(=O)C(=O)N1CCCC1 240690a_100000188435_100011215815 [0,1,0,1,0,0|2,0,0]=4 1106 B10R1.291 CN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200000210301 [0,1,0,1,0,0|1,0,1]=4 1107 B10R1.291 C[C@]1(CCCN1[13CH3])C(=O)O 269956a_100009816582_200025704644 [0,1,0,1,0,0|1,0,1]=4 1108 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 1109 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 1110 B10R1.205 CC(=O)C(=O)CNC1CC1 34a_100000212008_100011261029 [0,1,0,1,0,0|2,0,0]=4 1111 B10R1.205 CC(=O)C(=O)CSC1CC1 62a_100011261029_100000211595 [0,1,0,1,0,0|2,0,0]=4 1112 B10R1.205 NC(=O)C(=O)NCC1CC1 240690a_100000735609_100011215815 [0,1,0,1,0,0|2,0,0]=4 1113 B10R1.182 CNC(=O)C(=O)C1CCC1 1458a_100011218921_100000749161 [0,1,0,1,0,0|2,0,0]=4 1114 B10R1.182 COC(=O)C(=O)N1CCC1 11a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1115 B10R1.182 COC(=O)C(=O)N1CCC1 240690a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1116 B10R1.182 COC(=O)C(=O)N1CCC1 527a_100000754969_100000024059 [0,1,0,1,0,0|2,0,0]=4 1117 B10R1.184 CNC(=O)C(=O)CC1CC1 1458a_100011218921_100000742324 [0,1,0,1,0,0|2,0,0]=4 1118 B10R1.184 CNC(=O)C(=O)CC1CO1 1458a_100011218921_100011216344 [0,1,0,1,0,0|2,0,0]=4 1119 B10R1.184 CNC(=O)C(=O)CC1CS1 1458a_100011218921_100000031435 [0,1,0,1,0,0|2,0,0]=4 1120 B10R1.184 CNC(=O)C(=O)C[C@@H]1CO1 1458a_100011218921_100000745022 [0,1,0,1,0,0|2,0,0]=4 1121 B10R1.184 COC(=O)C(=O)NC1CC1 1626a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1122 B10R1.184 COC(=O)C(=O)NC1CC1 240690a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1123 B10R1.184 COC(=O)C(=O)NC1CC1 527a_100000212008_100000024059 [0,1,0,1,0,0|2,0,0]=4 1124 B10R1.31 CN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200000210301 [0,1,0,1,0,0|1,0,1]=4 1125 B10R1.31 [13CH3]N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200025704644 [0,1,0,1,0,0|1,0,1]=4 1126 B10R1.116 CC1CCN1C(=O)C(=O)N 240690a_100000755817_100011215815 [0,1,0,1,0,0|2,0,0]=4 1127 B10R1.204 CC(=O)C(=O)CN1CCC1 269982a_100000754969_100011261029 [0,1,0,1,0,0|2,0,0]=4 1128 B10R1.204 NC(=O)C(=O)NC1CCC1 240690a_100000749019_100011215815 [0,1,0,1,0,0|2,0,0]=4 1129 B10R0.78 CC(=O)NCC(=O)CCCF 1458a_100000194580_100011934791 [0,0,0,0,0,2|2,0,0]=4 1130 B10R0.78 CC(=O)NCC(=O)CCCO 1458a_100000194580_100011215043 [0,0,0,0,0,2|2,0,0]=4 1131 B10R0.78 CC(=O)OCC(=O)CCCF 1458a_100000183556_100011934791 [0,0,0,0,0,2|2,0,0]=4 1132 B10R0.78 CC(=O)OCC(=O)CCCO 1458a_100000183556_100011215043 [0,0,0,0,0,2|2,0,0]=4 1133 B10R0.78 CC(=O)SCC(=O)CCCF 1458a_100000049016_100011934791 [0,0,0,0,0,2|2,0,0]=4 1134 B10R0.78 CC(=O)SCC(=O)CCCO 1458a_100000049016_100011215043 [0,0,0,0,0,2|2,0,0]=4 1135 B10R0.78 CCCCC(=O)CCC(=O)N 1458a_100011215257_100000210211 [0,0,0,0,0,2|2,0,0]=4 1136 B10R0.78 CCCCC(=O)CNC(=O)C 1458a_100000194580_100000210211 [0,0,0,0,0,2|2,0,0]=4 1137 B10R0.78 CCCCC(=O)CNC(=O)N 1458a_100000184981_100000210211 [0,0,0,0,0,2|2,0,0]=4 1138 B10R0.78 CCCCC(=O)COC(=O)C 1458a_100000183556_100000210211 [0,0,0,0,0,2|2,0,0]=4 1139 B10R0.78 CCCCC(=O)CSC(=O)C 1458a_100000049016_100000210211 [0,0,0,0,0,2|2,0,0]=4 1140 B10R0.78 CCCCC(=O)NCC(=O)N 11a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1141 B10R0.78 CCCCC(=O)NCC(=O)N 240690a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1142 B10R0.78 CCCCC(=O)NCC(=O)N 527a_100000711301_100000210183 [0,0,0,0,0,2|2,0,0]=4 1143 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189765_100000210183 [0,0,0,0,0,2|2,0,0]=4 1144 B10R0.78 CCCCC(=O)NNC(=O)C 22a_100000189769_100000070787 [0,0,0,0,0,2|2,0,0]=4 1145 B10R0.78 CCNCC(=O)NCC(=O)O 269956a_100000183575_100000210202 [0,0,0,0,0,2|2,0,0]=4 1146 B10R0.78 CNCCC(=O)NCC(=O)O 269956a_100000722369_200000210301 [0,0,0,0,0,2|2,0,0]=4 1147 B10R0.78 NC(=O)CCC(=O)CCCF 1458a_100011215257_100011934791 [0,0,0,0,0,2|2,0,0]=4 1148 B10R0.78 NC(=O)CCC(=O)CCCO 1458a_100011215257_100011215043 [0,0,0,0,0,2|2,0,0]=4 1149 B10R0.78 NC(=O)NCC(=O)CCCF 1458a_100000184981_100011934791 [0,0,0,0,0,2|2,0,0]=4 1150 B10R0.78 NC(=O)NCC(=O)CCCO 1458a_100000184981_100011215043 [0,0,0,0,0,2|2,0,0]=4 1151 B10R0.78 O=C(O)CNC(=O)CNCF 269956a_100000183575_100015361967 [0,0,0,0,0,2|2,0,0]=4 1152 B10R0.78 [13CH3]NCCC(=O)NCC(=O)O 269956a_100000722369_200025704644 [0,0,0,0,0,2|2,0,0]=4