0 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 11a_100132314160_100015343762 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 1626a_100132314160_100015343762 [0,0,0,0,0,0|3,0,1]=4 2 B12R1.3862 C#CC1(CCCCC1)NC(=O)C 240690a_100132314160_100015343762 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.3862 CC(=O)CC1(CCCCC1)C#N 1458a_100000070787_100011219015 [0,0,0,0,0,0|1,0,2]=3 4 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 11a_100000184641_100015343762 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 1626a_100000184641_100015343762 [0,0,0,0,0,0|2,0,2]=4 6 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 240690a_100000184641_100015343762 [0,0,0,0,0,0|2,0,2]=4 7 B12R1.3862 CC(=O)NC1(CCCCC1)C#N 527a_100000184641_100103153847 [0,0,0,0,0,0|2,0,2]=4 8 B12R1.3862 CC(=O)NC1(CCCCC1)CO 240690a_100000740034_100015343762 [0,0,0,0,0,0|3,0,0]=3 9 B12R1.3862 CC(=O)NC1(CCCCC1)CO 527a_100000740034_100103153847 [0,0,0,0,0,0|3,0,0]=3 10 B12R1.3862 CC(=O)NC1(CCOCC1)CO 240690a_100000751404_100015343762 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.3862 CC(=O)NC1(CCOCC1)CO 527a_100000751404_100103153847 [0,0,0,0,0,0|4,0,0]=4 12 B12R1.3862 CC(C)OC1(CCCCC1)CN 34a_100000748649_100000210206 [0,0,0,0,0,0|3,0,1]=4 13 B12R1.3862 CNC1(CCCCC1)CC(=O)O 269956a_100000723940_200000210301 [0,0,0,0,0,0|2,0,0]=2 14 B12R1.3862 CNC1(CCOCC1)CC(=O)O 269956a_100000723900_200000210301 [0,0,0,0,0,0|3,0,0]=3 15 B12R1.3862 [13CH3]NC1(CCCCC1)CC(=O)O 269956a_100000723940_200025704644 [0,0,0,0,0,0|2,0,0]=2 16 B12R1.3862 [13CH3]NC1(CCOCC1)CC(=O)O 269956a_100000723900_200025704644 [0,0,0,0,0,0|3,0,0]=3 17 B11R1.928 CC(=O)CC1(CCCCC1)O 1458a_100000755886_200000210301 [1,0,0,0,0,0|2,0,0]=3 18 B11R1.928 CC(=O)NC1(CCCCC1)C 11a_100000741114_100015343762 [1,0,0,0,0,0|2,0,0]=3 19 B11R1.928 CC(=O)NC1(CCCCC1)C 1626a_100000741114_100015343762 [1,0,0,0,0,0|2,0,0]=3 20 B11R1.928 CC(=O)NC1(CCCCC1)C 240690a_100000741114_100015343762 [1,0,0,0,0,0|2,0,0]=3 21 B11R1.928 CC(=O)NC1(CCCCC1)C 527a_100000741114_100103153847 [1,0,0,0,0,0|2,0,0]=3 22 B11R1.928 CC(=O)NC1(CCOCC1)C 11a_100000692449_100015343762 [1,0,0,0,0,0|3,0,0]=4 23 B11R1.928 CC(=O)NC1(CCOCC1)C 1626a_100000692449_100015343762 [1,0,0,0,0,0|3,0,0]=4 24 B11R1.928 CC(=O)NC1(CCOCC1)C 240690a_100000692449_100015343762 [1,0,0,0,0,0|3,0,0]=4 25 B11R1.928 CC(=O)NC1(CCOCC1)C 527a_100000692449_100103153847 [1,0,0,0,0,0|3,0,0]=4 26 B11R1.928 [13CH3]C(=O)CC1(CCCCC1)O 1458a_100000755886_200025704644 [1,0,0,0,0,0|2,0,0]=3 27 B11R1.1253 C=CCC1(CCCCC1)OC 34a_200011216858_200000210301 [1,0,0,0,0,0|3,0,0]=4 28 B11R1.1253 C=CCC1(CCCCC1)OC 7a_200011216858_200000210301 [1,0,0,0,0,0|3,0,0]=4 29 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 34a_200011216858_200025704644 [1,0,0,0,0,0|3,0,0]=4 30 B11R1.1253 C=CCC1(CCCCC1)O[13CH3] 7a_200011216858_200025704644 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.1253 CCOC1(CCCCC1)CN 34a_100000748649_100000210202 [1,0,0,0,0,0|2,0,1]=4 32 B11R1.1253 COCC1(CCOCC1)CN 34a_100000691804_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B11R1.1253 NCC1(CCCCC1)OCF 34a_100000748649_100015361967 [1,0,0,0,0,0|2,0,1]=4 34 B11R1.1253 [13CH3]OCC1(CCOCC1)CN 34a_100000691804_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B13R1.4942 C#CC(=O)CC1(CCCCC1)C#N 1458a_100000211873_100011219015 [0,1,0,0,0,0|1,0,2]=4 36 B13R1.4942 C#CC1(CCCCC1)NC(=O)CO 240690a_100132314160_100000210174 [0,1,0,0,0,0|2,0,1]=4 37 B13R1.4942 C=CC(=O)CC1(CCCCC1)C#N 1458a_100000185746_100011219015 [0,1,0,0,0,0|1,0,2]=4 38 B13R1.4942 C=CC(=O)NC1(CCCCC1)CO 240690a_100000740034_200121576911 [0,1,0,0,0,0|3,0,0]=4 39 B13R1.4942 CC(CO)OC1(CCCCC1)CN 34a_100000748649_100012180447 [0,1,0,0,0,0|2,0,1]=4 40 B13R1.4942 CCC(=O)CC1(CCCCC1)C#N 1458a_100000210414_100011219015 [0,1,0,0,0,0|1,0,2]=4 41 B13R1.4942 CCC(=O)NC1(CCCCC1)CO 240690a_100000740034_100000210414 [0,1,0,0,0,0|3,0,0]=4 42 B13R1.4942 CCC(=O)NC1(CCCCC1)CO 527a_100000740034_100000210414 [0,1,0,0,0,0|3,0,0]=4 43 B13R1.4942 CNC(=O)NC1(CCCCC1)CO 2708a_100102657272_100000740034 [0,1,0,0,0,0|3,0,0]=4 44 B13R1.4942 CNC(=O)NC1(CCCCC1)CO 273464a_100000740034_100102657272 [0,1,0,0,0,0|3,0,0]=4 45 B13R1.4942 CNC(=O)NC1(CCCCC1)CO 273464a_100102657272_100000740034 [0,1,0,0,0,0|3,0,0]=4 46 B13R1.4942 N#CC1(CCCCC1)CC(=O)CO 1458a_100000210174_100011219015 [0,1,0,0,0,0|0,0,2]=3 47 B13R1.4942 N#CC1(CCCCC1)NC(=O)CO 240690a_100000184641_100000210174 [0,1,0,0,0,0|1,0,2]=4 48 B13R1.4942 N#CC1(CCCCC1)NC(=O)CO 527a_100000184641_100000210174 [0,1,0,0,0,0|1,0,2]=4 49 B13R1.4942 O=C(CO)NC1(CCCCC1)CO 240690a_100000740034_100000210174 [0,1,0,0,0,0|2,0,0]=3 50 B13R1.4942 O=C(CO)NC1(CCCCC1)CO 527a_100000740034_100000210174 [0,1,0,0,0,0|2,0,0]=3 51 B13R1.4942 O=C(CO)NC1(CCOCC1)CO 240690a_100000751404_100000210174 [0,1,0,0,0,0|3,0,0]=4 52 B13R1.4942 O=C(CO)NC1(CCOCC1)CO 527a_100000751404_100000210174 [0,1,0,0,0,0|3,0,0]=4 53 B13R1.7334 CCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100000210202 [0,1,0,0,0,0|1,0,0]=2 54 B13R1.7334 CCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100000210202 [0,1,0,0,0,0|2,0,0]=3 55 B13R1.7334 CNCC1(CCCCC1)CC(=O)O 269956a_100000743849_200000210301 [0,1,0,0,0,0|0,0,0]=1 56 B13R1.7334 O=C(O)CC1(CCCCC1)NCF 269956a_100000723940_100015361967 [0,1,0,0,0,0|1,0,0]=2 57 B13R1.7334 O=C(O)CC1(CCOCC1)NCF 269956a_100000723900_100015361967 [0,1,0,0,0,0|2,0,0]=3 58 B13R1.7334 [13CH3]NCC1(CCCCC1)CC(=O)O 269956a_100000743849_200025704644 [0,1,0,0,0,0|0,0,0]=1 59 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 11a_100000746659_100015343762 [0,1,0,0,0,0|2,0,1]=4 60 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 1626a_100000746659_100015343762 [0,1,0,0,0,0|2,0,1]=4 61 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 240690a_100000746659_100015343762 [0,1,0,0,0,0|2,0,1]=4 62 B13R1.8842 CC(=O)NC1(CCCCC1)C(=O)N 527a_100000746659_100103153847 [0,1,0,0,0,0|2,0,1]=4 63 B11R0.77 CCCCCN(CC)CC(=O)O 269956a_100000746405_100000210326 [0,0,1,0,0,0|2,0,0]=3 64 B11R0.77 CCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000210326 [0,0,1,0,0,0|2,0,1]=4 65 B11R0.77 CCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210211 [0,0,1,0,0,0|2,0,0]=3 66 B11R0.77 CCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210211 [0,0,1,0,0,0|2,0,0]=3 67 B11R0.77 CCN(CCCCF)CC(=O)O 269956a_100000746405_100000729493 [0,0,1,0,0,0|3,0,0]=4 68 B11R0.77 CCN(CCCCO)CC(=O)O 269956a_100000746405_100000210776 [0,0,1,0,0,0|3,0,0]=4 69 B11R0.77 CCN(CCCOC)CC(=O)O 269956a_100000746405_100000740836 [0,0,1,0,0,0|3,0,0]=4 70 B11R0.77 CCOCCN(CC)CC(=O)O 269956a_100000746405_100000210147 [0,0,1,0,0,0|3,0,0]=4 71 B11R0.77 CCOCN[C@H](CC)CC(=O)O 269956a_100016995926_100000739092 [0,0,1,0,0,0|3,0,0]=4 72 B11R0.77 CCOCN[C@H](CO)CC(=O)O 269956a_100009816507_100000739092 [0,0,1,0,0,0|3,0,0]=4 73 B11R0.77 CCSCCN(CC)CC(=O)O 269956a_100000746405_100000757381 [0,0,1,0,0,0|3,0,0]=4 74 B11R0.77 CC[C@H](CC(=O)O)NCCCF 269956a_100016995926_100011934791 [0,0,1,0,0,0|3,0,0]=4 75 B11R0.77 CC[C@H](CC(=O)O)NCCCO 269956a_100016995926_100011215043 [0,0,1,0,0,0|3,0,0]=4 76 B11R0.77 CC[C@H](CC(=O)O)NCCOC 269956a_100016995926_100000233755 [0,0,1,0,0,0|3,0,0]=4 77 B11R0.77 CC[C@H](CC(=O)O)NCCSC 269956a_100016995926_100000212216 [0,0,1,0,0,0|3,0,0]=4 78 B11R0.77 COCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000233755 [0,0,1,0,0,0|3,0,0]=4 79 B11R0.77 CSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000212216 [0,0,1,0,0,0|3,0,0]=4 80 B11R0.77 O=C(O)C[C@@H](CO)NCCCF 269956a_100009816507_100011934791 [0,0,1,0,0,0|3,0,0]=4 81 B11R0.77 O=C(O)C[C@@H](CO)NCCCO 269956a_100009816507_100011215043 [0,0,1,0,0,0|3,0,0]=4 82 B13R2.7485 COC12CCCC(C1)CC(=O)C2 34a_200009882635_200000210301 [0,0,0,1,0,0|3,0,0]=4 83 B13R2.7485 [13CH3]OC12CCCC(C1)CC(=O)C2 34a_200009882635_200025704644 [0,0,0,1,0,0|3,0,0]=4 84 B11R1.1062 CC(=O)NC1(CCCC1)CO 240690a_100000749328_100015343762 [0,0,0,0,1,0|3,0,0]=4 85 B11R1.1062 CC(=O)NC1(CCCC1)CO 527a_100000749328_100103153847 [0,0,0,0,1,0|3,0,0]=4 86 B11R1.1062 CCC1(CCCC1)NC(=O)C 11a_100015183760_100015343762 [0,0,0,0,1,0|3,0,0]=4 87 B11R1.1062 CCC1(CCCC1)NC(=O)C 1626a_100015183760_100015343762 [0,0,0,0,1,0|3,0,0]=4 88 B11R1.1062 CCC1(CCCC1)NC(=O)C 240690a_100015183760_100015343762 [0,0,0,0,1,0|3,0,0]=4 89 B11R1.1062 CCC1(CCCC1)NC(=O)C 527a_100015183760_100103153847 [0,0,0,0,1,0|3,0,0]=4 90 B11R1.1074 CC(=O)C1(CCCCC1)C#N 1458a_100000745063_200000210301 [0,0,0,0,1,0|1,0,2]=4 91 B11R1.1074 CC(=O)C1(CCOCC1)CO 1458a_100012175746_200000210301 [0,0,0,0,1,0|3,0,0]=4 92 B11R1.1074 CNC1(CCCCC1)C(=O)N 2230a_100000746659_200000210301 [0,0,0,0,1,0|3,0,0]=4 93 B11R1.1074 CNC1(CCCCC1)C(=O)N 34a_100000746659_200000210301 [0,0,0,0,1,0|3,0,0]=4 94 B11R1.1074 CNC1(CCCCC1)C(=O)O 269956a_100000185090_200000210301 [0,0,0,0,1,0|2,0,0]=3 95 B11R1.1074 CNC1(CCOCC1)C(=O)O 269956a_100015194771_200000210301 [0,0,0,0,1,0|3,0,0]=4 96 B11R1.1074 [13CH3]C(=O)C1(CCCCC1)C#N 1458a_100000745063_200025704644 [0,0,0,0,1,0|1,0,2]=4 97 B11R1.1074 [13CH3]C(=O)C1(CCOCC1)CO 1458a_100012175746_200025704644 [0,0,0,0,1,0|3,0,0]=4 98 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 2230a_100000746659_200025704644 [0,0,0,0,1,0|3,0,0]=4 99 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)N 34a_100000746659_200025704644 [0,0,0,0,1,0|3,0,0]=4 100 B11R1.1074 [13CH3]NC1(CCCCC1)C(=O)O 269956a_100000185090_200025704644 [0,0,0,0,1,0|2,0,0]=3 101 B11R1.1074 [13CH3]NC1(CCOCC1)C(=O)O 269956a_100015194771_200025704644 [0,0,0,0,1,0|3,0,0]=4 102 B13R1.5993 C#CC1(CCCCC1)NCC(=O)N 2230a_100132314160_100000747473 [0,0,0,0,0,1|2,0,1]=4 103 B13R1.5993 C#CC1(CCCCC1)NCC(=O)N 34a_100132314160_100000187820 [0,0,0,0,0,1|2,0,1]=4 104 B13R1.5993 C#CC1(CCCCC1)NCC(=O)[O-] 34a_100132314160_100020667443 [0,0,0,0,0,1|1,0,2]=4 105 B13R1.5993 C#CC1(CCCCC1)OCC(=O)N 34a_100011215672_100000187820 [0,0,0,0,0,1|2,0,1]=4 106 B13R1.5993 C#CC1(CCCCC1)OCC(=O)N 7a_100011215672_100000187820 [0,0,0,0,0,1|2,0,1]=4 107 B13R1.5993 C#CC1(CCCCC1)OCC(=O)[O-] 34a_100011215672_100020667443 [0,0,0,0,0,1|1,0,2]=4 108 B13R1.5993 C=C(C)CNC1(CCCCC1)CO 2230a_100000740034_100000748629 [0,0,0,0,0,1|3,0,0]=4 109 B13R1.5993 C=C(C)CNC1(CCCCC1)CO 34a_100000740034_100000748629 [0,0,0,0,0,1|3,0,0]=4 110 B13R1.5993 C=C(C)COC1(CCCCC1)CC 34a_100011216009_100000748629 [0,0,0,0,0,1|3,0,0]=4 111 B13R1.5993 C=C(C)COC1(CCCCC1)CC 7a_100011216009_100000748629 [0,0,0,0,0,1|3,0,0]=4 112 B13R1.5993 C=C(C)COC1(CCCCC1)CN 34a_100000748649_100000748629 [0,0,0,0,0,1|2,0,0]=3 113 B13R1.5993 C=C(C)COC1(CCOCC1)CN 34a_100000704115_100000748629 [0,0,0,0,0,1|3,0,0]=4 114 B13R1.5993 C=C(C)COC1(CCSCC1)CN 34a_100000758141_100000748629 [0,0,0,0,0,1|3,0,0]=4 115 B13R1.5993 C=C(F)CNC1(CCCCC1)CO 2230a_100000740034_100009893438 [0,0,0,0,0,1|3,0,0]=4 116 B13R1.5993 C=C(F)CNC1(CCCCC1)CO 34a_100000740034_100009893438 [0,0,0,0,0,1|3,0,0]=4 117 B13R1.5993 C=C(F)COC1(CCCCC1)CC 34a_100011216009_100009893438 [0,0,0,0,0,1|3,0,0]=4 118 B13R1.5993 C=C(F)COC1(CCCCC1)CC 7a_100011216009_100000042424 [0,0,0,0,0,1|3,0,0]=4 119 B13R1.5993 C=C(F)COC1(CCCCC1)CN 34a_100000748649_100009893438 [0,0,0,0,0,1|2,0,0]=3 120 B13R1.5993 C=C(F)COC1(CCOCC1)CN 34a_100000704115_100009893438 [0,0,0,0,0,1|3,0,0]=4 121 B13R1.5993 C=C(F)COC1(CCSCC1)CN 34a_100000758141_100009893438 [0,0,0,0,0,1|3,0,0]=4 122 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 34a_200011934219_100000187820 [0,0,0,0,0,1|2,0,1]=4 123 B13R1.5993 C=CC1(CCCCC1)OCC(=O)N 7a_200011934219_100000187820 [0,0,0,0,0,1|2,0,1]=4 124 B13R1.5993 C=CC1(CCCCC1)OCC(=O)[O-] 34a_200011934219_100020667443 [0,0,0,0,0,1|1,0,2]=4 125 B13R1.5993 CC(=O)NCC1(CCOCC1)CO 240690a_100000691804_100015343762 [0,0,0,0,0,1|3,0,0]=4 126 B13R1.5993 CC(=O)NCC1(CCOCC1)CO 527a_100000691804_100103153847 [0,0,0,0,0,1|3,0,0]=4 127 B13R1.5993 CC(C)COC1(CCCCC1)CN 34a_100000748649_100000210624 [0,0,0,0,0,1|2,0,1]=4 128 B13R1.5993 CC(O)CNC1(CCCCC1)CO 2230a_100000740034_100011218427 [0,0,0,0,0,1|2,0,1]=4 129 B13R1.5993 CC(O)CNC1(CCCCC1)CO 34a_100000740034_100011218427 [0,0,0,0,0,1|2,0,1]=4 130 B13R1.5993 CC(O)COC1(CCCCC1)CN 34a_100000748649_100011218427 [0,0,0,0,0,1|1,0,1]=3 131 B13R1.5993 CC(O)COC1(CCOCC1)CN 34a_100000704115_100011218427 [0,0,0,0,0,1|2,0,1]=4 132 B13R1.5993 CC(O)COC1(CCSCC1)CN 34a_100000758141_100011218427 [0,0,0,0,0,1|2,0,1]=4 133 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 34a_100011216009_100000187820 [0,0,0,0,0,1|2,0,0]=3 134 B13R1.5993 CCC1(CCCCC1)OCC(=O)N 7a_100011216009_100000187820 [0,0,0,0,0,1|2,0,0]=3 135 B13R1.5993 CCC1(CCCCC1)OCC(=O)[O-] 34a_100011216009_100020667443 [0,0,0,0,0,1|1,0,1]=3 136 B13R1.5993 CCC1(CCCCC1)OCC(C)O 34a_100011216009_100011218427 [0,0,0,0,0,1|2,0,1]=4 137 B13R1.5993 CCC1(CCCCC1)OCC(C)O 7a_100011216009_100011218427 [0,0,0,0,0,1|2,0,1]=4 138 B13R1.5993 CCC1(CCCCC1)OC[C@@H](C)O 34a_100011216009_100009817552 [0,0,0,0,0,1|2,0,1]=4 139 B13R1.5993 CCC1(CCCCC1)OC[C@@H](C)O 7a_100011216009_100009817552 [0,0,0,0,0,1|2,0,1]=4 140 B13R1.5993 CCC1(CCCCC1)OC[N+](=O)[O-] 34a_100011216009_100000761209 [0,0,0,0,0,1|2,0,1]=4 141 B13R1.5993 C[C@@H](O)CNC1(CCCCC1)CO 2230a_100000740034_100009817552 [0,0,0,0,0,1|2,0,1]=4 142 B13R1.5993 C[C@@H](O)CNC1(CCCCC1)CO 34a_100000740034_100009817552 [0,0,0,0,0,1|2,0,1]=4 143 B13R1.5993 C[C@@H](O)COC1(CCCCC1)CN 34a_100000748649_100009817552 [0,0,0,0,0,1|1,0,1]=3 144 B13R1.5993 C[C@@H](O)COC1(CCOCC1)CN 34a_100000704115_100009817552 [0,0,0,0,0,1|2,0,1]=4 145 B13R1.5993 C[C@@H](O)COC1(CCSCC1)CN 34a_100000758141_100009817552 [0,0,0,0,0,1|2,0,1]=4 146 B13R1.5993 N#CC1(CCCCC1)NCC(=O)N 34a_100000184641_100000187820 [0,0,0,0,0,1|1,0,2]=4 147 B13R1.5993 N#CC1(CCCCC1)NCC(=O)[O-] 34a_100000184641_100020667443 [0,0,0,0,0,1|0,0,3]=4 148 B13R1.5993 NC(=O)CNC1(CCCCC1)CO 2230a_100000740034_100000747473 [0,0,0,0,0,1|2,0,0]=3 149 B13R1.5993 NC(=O)CNC1(CCCCC1)CO 34a_100000740034_100000187820 [0,0,0,0,0,1|2,0,0]=3 150 B13R1.5993 NC(=O)CNC1(CCOCC1)CO 2230a_100000751404_100000747473 [0,0,0,0,0,1|3,0,0]=4 151 B13R1.5993 NC(=O)CNC1(CCOCC1)CO 34a_100000751404_100000187820 [0,0,0,0,0,1|3,0,0]=4 152 B13R1.5993 NCC1(CCCCC1)OCC(=O)N 34a_100000748649_100000187820 [0,0,0,0,0,1|1,0,0]=2 153 B13R1.5993 NCC1(CCCCC1)OCC(=O)[O-] 34a_100000748649_100020667443 [0,0,0,0,0,1|0,0,1]=2 154 B13R1.5993 NCC1(CCCCC1)OCC(F)F 34a_100000748649_100011934356 [0,0,0,0,0,1|2,0,1]=4 155 B13R1.5993 NCC1(CCCCC1)OC[N+](=O)[O-] 34a_100000748649_100000761209 [0,0,0,0,0,1|1,0,1]=3 156 B13R1.5993 NCC1(CCOCC1)OCC(=O)N 34a_100000704115_100000187820 [0,0,0,0,0,1|2,0,0]=3 157 B13R1.5993 NCC1(CCOCC1)OCC(=O)[O-] 34a_100000704115_100020667443 [0,0,0,0,0,1|1,0,1]=3 158 B13R1.5993 NCC1(CCOCC1)OC[N+](=O)[O-] 34a_100000704115_100000761209 [0,0,0,0,0,1|2,0,1]=4 159 B13R1.5993 NCC1(CCSCC1)OCC(=O)N 34a_100000758141_100000187820 [0,0,0,0,0,1|2,0,0]=3 160 B13R1.5993 NCC1(CCSCC1)OCC(=O)[O-] 34a_100000758141_100020667443 [0,0,0,0,0,1|1,0,1]=3 161 B13R1.5993 NCC1(CCSCC1)OC[N+](=O)[O-] 34a_100000758141_100000761209 [0,0,0,0,0,1|2,0,1]=4 162 B13R1.5993 O=C([O-])CNC1(CCCCC1)CO 34a_100000740034_100020667443 [0,0,0,0,0,1|1,0,1]=3 163 B13R1.5993 O=C([O-])CNC1(CCOCC1)CO 34a_100000751404_100020667443 [0,0,0,0,0,1|2,0,1]=4 164 B13R1.5993 O=[N+]([O-])CNC1(CCCCC1)CO 34a_100000740034_100000761209 [0,0,0,0,0,1|2,0,1]=4 165 B10R0.6 CCCCCC(C)NC(=O)C 11a_100000211957_100015343762 [1,0,1,0,0,0|2,0,0]=4 166 B10R0.6 CCCCCC(C)NC(=O)C 1626a_100000211957_100015343762 [1,0,1,0,0,0|2,0,0]=4 167 B10R0.6 CCCCCC(C)NC(=O)C 240690a_100000211957_100015343762 [1,0,1,0,0,0|2,0,0]=4 168 B10R0.6 CCCCCC(C)NC(=O)C 527a_100000211957_100103153847 [1,0,1,0,0,0|2,0,0]=4 169 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000223495_100000747473 [1,0,1,0,0,0|2,0,0]=4 170 B10R0.6 CCCCCN(C)CC(=O)N 2230a_100000739694_100000210326 [1,0,1,0,0,0|2,0,0]=4 171 B10R0.6 CCCCCN(C)CC(=O)N 269982a_100000223495_100000187820 [1,0,1,0,0,0|2,0,0]=4 172 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,0,1,0,0,0|1,0,0]=3 173 B10R0.6 CCCCCN(C)CC(=O)[O-] 269982a_100000223495_100020667443 [1,0,1,0,0,0|1,0,1]=4 174 B10R0.6 CCCNCC(O)CC(=O)O 269956a_100011218706_100000210207 [1,0,1,0,0,0|2,0,0]=4 175 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,0,1,0,0,0|2,0,0]=4 176 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,0,1,0,0,0|2,0,0]=4 177 B10R0.6 CN(CCCCF)CC(=O)O 269956a_100000746989_100000729493 [1,0,1,0,0,0|2,0,0]=4 178 B10R0.6 CN(CCCCO)CC(=O)O 269956a_100000746989_100000210776 [1,0,1,0,0,0|2,0,0]=4 179 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,0,1,0,0,0|2,0,0]=4 180 B10R0.87 CCCCC(CC)CC(=O)C 1458a_100000070787_100000211942 [1,0,1,0,0,0|2,0,0]=4 181 B10R0.87 CCCCN(CC)CC(=O)O 269956a_100000746405_100000210211 [1,0,1,0,0,0|2,0,0]=4 182 B10R0.87 CCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210207 [1,0,1,0,0,0|2,0,0]=4 183 B10R0.87 CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210207 [1,0,1,0,0,0|2,0,0]=4 184 B10R0.122 CC(C)(CC(=O)O)NCCF 269956a_100000755897_100011217306 [1,0,1,0,0,0|2,0,0]=4 185 B10R0.122 CC(C)(CC(=O)O)NCCO 269956a_100000755897_100000211926 [1,0,1,0,0,0|2,0,0]=4 186 B10R0.122 CCCC[Si](C)(C)CC(=O)C 1458a_100000070787_200000073895 [1,0,1,0,0,0|1,1,0]=4 187 B10R0.122 CCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210303 [1,0,1,0,0,0|2,0,0]=4 188 B10R0.122 CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210207 [1,0,1,0,0,0|1,0,0]=3 189 B10R0.122 CCCOC(C)(C)CC(=O)C 7a_100000210262_100000210303 [1,0,1,0,0,0|2,0,0]=4 190 B10R0.122 COCNC(C)(C)CC(=O)O 269956a_100000755897_100000766300 [1,0,1,0,0,0|2,0,0]=4 191 B10R0.122 CSCNC(C)(C)CC(=O)O 269956a_100000755897_100011218213 [1,0,1,0,0,0|2,0,0]=4 192 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [2,0,0,0,0,0|1,0,0]=3 193 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [2,0,0,0,0,0|1,0,0]=3 194 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000070787_100000211543 [2,0,0,0,0,0|2,0,0]=4 195 B10R1.18 CC(=O)CC1CCCCO1 1458a_100000238585_200000210301 [2,0,0,0,0,0|2,0,0]=4 196 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000070787_100000741521 [2,0,0,0,0,0|2,0,0]=4 197 B10R1.18 CC(=O)CC1CCCOC1 1458a_100000741523_200000210301 [2,0,0,0,0,0|2,0,0]=4 198 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000070787_100000754603 [2,0,0,0,0,0|2,0,0]=4 199 B10R1.18 CC(=O)CC1CCOCC1 1458a_100000757261_200000210301 [2,0,0,0,0,0|2,0,0]=4 200 B10R1.18 CC(=O)CN1CCCCC1 1458a_100000740322_200000210301 [2,0,0,0,0,0|2,0,0]=4 201 B10R1.18 CC(=O)NC1CCCCC1 11a_100000182618_100015343762 [2,0,0,0,0,0|2,0,0]=4 202 B10R1.18 CC(=O)NC1CCCCC1 1626a_100000182618_100015343762 [2,0,0,0,0,0|2,0,0]=4 203 B10R1.18 CC(=O)NC1CCCCC1 240690a_100000182618_100015343762 [2,0,0,0,0,0|2,0,0]=4 204 B10R1.18 CC(=O)NC1CCCCC1 527a_100000182618_100103153847 [2,0,0,0,0,0|2,0,0]=4 205 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [2,0,0,0,0,0|1,0,0]=3 206 B10R1.18 [13CH3]C(=O)CC1CCCCO1 1458a_100000238585_200025704644 [2,0,0,0,0,0|2,0,0]=4 207 B10R1.18 [13CH3]C(=O)CC1CCCOC1 1458a_100000741523_200025704644 [2,0,0,0,0,0|2,0,0]=4 208 B10R1.18 [13CH3]C(=O)CC1CCOCC1 1458a_100000757261_200025704644 [2,0,0,0,0,0|2,0,0]=4 209 B10R1.18 [13CH3]C(=O)CN1CCCCC1 1458a_100000740322_200025704644 [2,0,0,0,0,0|2,0,0]=4 210 B10R1.377 CC1(CCCCC1)CN[13CH3] 2230a_100000706052_200025704644 [2,0,0,0,0,0|2,0,0]=4 211 B10R1.377 CC1(CCCCC1)CN[13CH3] 34a_100000706052_200025704644 [2,0,0,0,0,0|2,0,0]=4 212 B10R1.377 CC1(CCCCC1)CO[13CH3] 34a_100000688186_200025704644 [2,0,0,0,0,0|2,0,0]=4 213 B10R1.377 CC1(CCCCC1)CO[13CH3] 7a_100000688186_200025704644 [2,0,0,0,0,0|2,0,0]=4 214 B10R1.377 CNCC1(CCCCC1)C 2230a_100000706052_200000210301 [2,0,0,0,0,0|2,0,0]=4 215 B10R1.377 CNCC1(CCCCC1)C 269862a_106832991636_100011935227 [2,0,0,0,0,0|2,0,0]=4 216 B10R1.377 CNCC1(CCCCC1)C 34a_100000706052_200000210301 [2,0,0,0,0,0|2,0,0]=4 217 B10R1.377 COCC1(CCCCC1)C 34a_100000688186_200000210301 [2,0,0,0,0,0|2,0,0]=4 218 B10R1.377 COCC1(CCCCC1)C 7a_100000688186_200000210301 [2,0,0,0,0,0|2,0,0]=4 219 B10R1.377 COCC1(CCCCC1)N 34a_100000740034_200000210301 [2,0,0,0,0,0|2,0,0]=4 220 B10R1.377 [13CH3]OCC1(CCCCC1)N 34a_100000740034_200025704644 [2,0,0,0,0,0|2,0,0]=4 221 B10R1.487 CNC1(CCCCC1)CO 2230a_100000740034_200000210301 [2,0,0,0,0,0|2,0,0]=4 222 B10R1.487 CNC1(CCCCC1)CO 34a_100000740034_200000210301 [2,0,0,0,0,0|2,0,0]=4 223 B10R1.487 COC1(CCCCC1)CN 34a_100000748649_200000210301 [2,0,0,0,0,0|1,0,1]=4 224 B10R1.487 [13CH3]NC1(CCCCC1)CO 2230a_100000740034_200025704644 [2,0,0,0,0,0|2,0,0]=4 225 B10R1.487 [13CH3]NC1(CCCCC1)CO 34a_100000740034_200025704644 [2,0,0,0,0,0|2,0,0]=4 226 B10R1.487 [13CH3]OC1(CCCCC1)CN 34a_100000748649_200025704644 [2,0,0,0,0,0|1,0,1]=4 227 B12R0.18 CCCC(C)CN(CC)CC(=O)O 269956a_100000746405_100011216630 [0,1,1,0,0,0|2,0,0]=4 228 B12R0.18 CCCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000766640 [0,1,1,0,0,0|2,0,0]=4 229 B12R0.18 CCCC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000766640 [0,1,1,0,0,0|2,0,0]=4 230 B12R0.94 CCCCC(C)N(CC)CC(=O)O 269956a_100000746405_200011215066 [0,1,1,0,0,0|2,0,0]=4 231 B12R0.120 CCCCNC(CC(=O)O)C(C)C 269956a_100000695669_100000210211 [0,1,1,0,0,0|2,0,0]=4 232 B12R0.126 CCCCO[C@@H](CC)CC(=O)OC 7a_200015357724_100000210211 [0,1,1,0,0,0|2,0,0]=4 233 B12R0.126 CCCCO[C@@H](CCl)CC(=O)OC 7a_100000754131_100000210211 [0,1,1,0,0,0|2,0,0]=4 234 B12R0.202 CCCCCCN(CC)CC(=O)O 269956a_100000746405_100000210757 [0,1,1,0,0,0|2,0,0]=4 235 B12R0.202 CCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210326 [0,1,1,0,0,0|1,0,0]=3 236 B12R0.202 CCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210326 [0,1,1,0,0,0|1,0,0]=3 237 B12R0.202 CCCCOCN(CC)CC(=O)O 269956a_100000746405_100011995733 [0,1,1,0,0,0|2,0,0]=4 238 B12R0.202 CCCOCCN(CC)CC(=O)O 269956a_100000746405_100011215938 [0,1,1,0,0,0|2,0,0]=4 239 B12R0.202 CCN(CCCCCF)CC(=O)O 269956a_100000746405_100000729378 [0,1,1,0,0,0|2,0,0]=4 240 B12R0.202 CCN(CCCCCO)CC(=O)O 269956a_100000746405_100000746330 [0,1,1,0,0,0|2,0,0]=4 241 B12R0.202 CCN(CCCCOC)CC(=O)O 269956a_100000746405_100000730899 [0,1,1,0,0,0|2,0,0]=4 242 B12R0.202 CCOCCCN(CC)CC(=O)O 269956a_100000746405_100012232248 [0,1,1,0,0,0|2,0,0]=4 243 B12R0.202 CCOCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000210147 [0,1,1,0,0,0|2,0,0]=4 244 B12R0.202 CCOCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210147 [0,1,1,0,0,0|2,0,0]=4 245 B12R0.202 CCSCCN[C@H](CC)CC(=O)O 269956a_100016995926_100000757381 [0,1,1,0,0,0|2,0,0]=4 246 B12R0.202 CCSCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000757381 [0,1,1,0,0,0|2,0,0]=4 247 B12R0.202 CC[C@H](CC(=O)O)NCCCCF 269956a_100016995926_100000729493 [0,1,1,0,0,0|2,0,0]=4 248 B12R0.202 CC[C@H](CC(=O)O)NCCCCO 269956a_100016995926_100000210776 [0,1,1,0,0,0|2,0,0]=4 249 B12R0.202 CC[C@H](CC(=O)O)NCCCOC 269956a_100016995926_100000740836 [0,1,1,0,0,0|2,0,0]=4 250 B12R0.202 COCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000740836 [0,1,1,0,0,0|2,0,0]=4 251 B12R0.202 O=C(O)C[C@@H](CO)NCCCCF 269956a_100009816507_100000729493 [0,1,1,0,0,0|2,0,0]=4 252 B12R0.202 O=C(O)C[C@@H](CO)NCCCCO 269956a_100009816507_100000210776 [0,1,1,0,0,0|2,0,0]=4 253 B12R0.256 C#CCN(CCCCC)CC(=O)O 269956a_100011236498_100000210326 [0,1,1,0,0,0|2,0,0]=4 254 B12R0.256 C=CCN(CCCCC)CC(=O)O 269956a_100000744315_100000210326 [0,1,1,0,0,0|2,0,0]=4 255 B12R0.256 CCCCCN(CCO)CC(=O)O 269956a_100000747938_100000210326 [0,1,1,0,0,0|2,0,0]=4 256 B12R0.322 CCC(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748023 [0,1,1,0,0,0|2,0,0]=4 257 B12R0.322 CCC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748023 [0,1,1,0,0,0|2,0,0]=4 258 B12R0.322 CCC(O)CN[C@H](CC)CC(=O)O 269956a_100016995926_100011218378 [0,1,1,0,0,0|2,0,0]=4 259 B12R0.322 CCC(O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011218378 [0,1,1,0,0,0|2,0,0]=4 260 B12R0.322 CC[C@H](C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100009816398 [0,1,1,0,0,0|2,0,0]=4 261 B12R0.322 CC[C@H](C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100009816398 [0,1,1,0,0,0|2,0,0]=4 262 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210312 [0,1,1,0,0,0|2,0,0]=4 263 B12R0.535 CC(O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100012276601 [0,1,1,0,0,0|2,0,0]=4 264 B12R0.535 CCN(CCCC(C)C)CC(=O)O 269956a_100000746405_100011214892 [0,1,1,0,0,0|2,0,0]=4 265 B12R0.535 CCN(CCCC(C)O)CC(=O)O 269956a_100000746405_200000718107 [0,1,1,0,0,0|2,0,0]=4 266 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C 269956a_100016995926_100000210312 [0,1,1,0,0,0|2,0,0]=4 267 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)O 269956a_100016995926_100012276601 [0,1,1,0,0,0|2,0,0]=4 268 B12R1.3524 C=CC(=O)NC1(CCCCC1)C 1626a_100000741114_100000185746 [1,1,0,0,0,0|2,0,0]=4 269 B12R1.3524 C=CC(=O)NC1(CCCCC1)C 240690a_100000741114_200121576911 [1,1,0,0,0,0|2,0,0]=4 270 B12R1.3524 CC1(CCCCC1)NC(=O)CO 240690a_100000741114_100000210174 [1,1,0,0,0,0|1,0,0]=3 271 B12R1.3524 CC1(CCCCC1)NC(=O)CO 527a_100000741114_100000210174 [1,1,0,0,0,0|1,0,0]=3 272 B12R1.3524 CC1(CCOCC1)NC(=O)CO 240690a_100000692449_100000210174 [1,1,0,0,0,0|2,0,0]=4 273 B12R1.3524 CC1(CCOCC1)NC(=O)CO 527a_100000692449_100000210174 [1,1,0,0,0,0|2,0,0]=4 274 B12R1.3524 CCC(=O)CC1(CCCCC1)O 1458a_100000755886_100000210202 [1,1,0,0,0,0|2,0,0]=4 275 B12R1.3524 CCC(=O)NC1(CCCCC1)C 11a_100000741114_100000210414 [1,1,0,0,0,0|2,0,0]=4 276 B12R1.3524 CCC(=O)NC1(CCCCC1)C 1626a_100000741114_100000210414 [1,1,0,0,0,0|2,0,0]=4 277 B12R1.3524 CCC(=O)NC1(CCCCC1)C 240690a_100000741114_100000210414 [1,1,0,0,0,0|2,0,0]=4 278 B12R1.3524 CCC(=O)NC1(CCCCC1)C 527a_100000741114_100000210414 [1,1,0,0,0,0|2,0,0]=4 279 B12R1.3524 CNC(=O)CC1(CCCCC1)O 240690a_100102657272_100000755886 [1,1,0,0,0,0|2,0,0]=4 280 B12R1.3524 CNC(=O)CC1(CCCCC1)O 527a_100102657272_100000755886 [1,1,0,0,0,0|2,0,0]=4 281 B12R1.3524 CNC(=O)NC1(CCCCC1)C 2708a_100102657272_100000741114 [1,1,0,0,0,0|2,0,0]=4 282 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100000741114_100102657272 [1,1,0,0,0,0|2,0,0]=4 283 B12R1.3524 CNC(=O)NC1(CCCCC1)C 273464a_100102657272_100000741114 [1,1,0,0,0,0|2,0,0]=4 284 B12R1.3524 CNC(=O)NC1(CCCCC1)C 512a_100000741114_100102657272 [1,1,0,0,0,0|2,0,0]=4 285 B12R1.3524 O=C(CF)CC1(CCCCC1)O 1458a_100000755886_100015361967 [1,1,0,0,0,0|2,0,0]=4 286 B12R1.2279 C#CC1(CCCCC1)NCC=O 2230a_100132314160_200015260668 [1,1,0,0,0,0|1,0,1]=4 287 B12R1.2279 C#CC1(CCCCC1)NCC=O 34a_100132314160_200009817547 [1,1,0,0,0,0|1,0,1]=4 288 B12R1.2279 C#CC1(CCCCC1)OCC=O 34a_100011215672_200009817547 [1,1,0,0,0,0|1,0,1]=4 289 B12R1.2279 C#CC1(CCCCC1)OCC=O 7a_100011215672_200015260668 [1,1,0,0,0,0|1,0,1]=4 290 B12R1.2279 C#CCOC1(CCCCC1)CN 34a_100000748649_100000184674 [1,1,0,0,0,0|1,0,1]=4 291 B12R1.2279 C=CC1(CCCCC1)OCC=O 34a_200011934219_200009817547 [1,1,0,0,0,0|1,0,1]=4 292 B12R1.2279 C=CC1(CCCCC1)OCC=O 7a_200011934219_200015260668 [1,1,0,0,0,0|1,0,1]=4 293 B12R1.2279 C=CCNC1(CCCCC1)CO 2230a_100000740034_100000210623 [1,1,0,0,0,0|2,0,0]=4 294 B12R1.2279 C=CCNC1(CCCCC1)CO 34a_100000740034_100015514636 [1,1,0,0,0,0|2,0,0]=4 295 B12R1.2279 C=CCOC1(CCCCC1)CC 34a_100011216009_100015514636 [1,1,0,0,0,0|2,0,0]=4 296 B12R1.2279 C=CCOC1(CCCCC1)CC 7a_100011216009_100015514636 [1,1,0,0,0,0|2,0,0]=4 297 B12R1.2279 C=CCOC1(CCCCC1)CN 34a_100000748649_100015514636 [1,1,0,0,0,0|1,0,0]=3 298 B12R1.2279 C=CCOC1(CCOCC1)CN 34a_100000704115_100015514636 [1,1,0,0,0,0|2,0,0]=4 299 B12R1.2279 C=CCOC1(CCSCC1)CN 34a_100000758141_100015514636 [1,1,0,0,0,0|2,0,0]=4 300 B12R1.2279 CCC1(CCCCC1)OCC=O 34a_100011216009_200009817547 [1,1,0,0,0,0|1,0,0]=3 301 B12R1.2279 CCC1(CCCCC1)OCC=O 7a_100011216009_200015260668 [1,1,0,0,0,0|1,0,0]=3 302 B12R1.2279 CCC1(CCCCC1)OCCO 34a_100011216009_100000211926 [1,1,0,0,0,0|1,0,1]=4 303 B12R1.2279 CCC1(CCCCC1)OCCO 7a_100011216009_100000211926 [1,1,0,0,0,0|1,0,1]=4 304 B12R1.2279 CCCOC1(CCCCC1)CN 34a_100000748649_100000210303 [1,1,0,0,0,0|1,0,1]=4 305 B12R1.2279 CSCOC1(CCCCC1)CN 34a_100000748649_100011218213 [1,1,0,0,0,0|2,0,0]=4 306 B12R1.2279 N#CC1(CCCCC1)NCC=O 34a_100000184641_200009817547 [1,1,0,0,0,0|0,0,2]=4 307 B12R1.2279 NCC1(CCCCC1)OCC=O 34a_100000748649_200009817547 [1,1,0,0,0,0|0,0,0]=2 308 B12R1.2279 NCC1(CCCCC1)OCCF 34a_100000748649_100011217306 [1,1,0,0,0,0|1,0,1]=4 309 B12R1.2279 NCC1(CCCCC1)OCCO 34a_100000748649_100000211926 [1,1,0,0,0,0|0,0,1]=3 310 B12R1.2279 NCC1(CCOCC1)OCC=O 34a_100000704115_200009817547 [1,1,0,0,0,0|1,0,0]=3 311 B12R1.2279 NCC1(CCOCC1)OCCO 34a_100000704115_100000211926 [1,1,0,0,0,0|1,0,1]=4 312 B12R1.2279 NCC1(CCSCC1)OCC=O 34a_100000758141_200009817547 [1,1,0,0,0,0|1,0,0]=3 313 B12R1.2279 NCC1(CCSCC1)OCCO 34a_100000758141_100000211926 [1,1,0,0,0,0|1,0,1]=4 314 B12R1.2279 O=CCNC1(CCCCC1)CO 2230a_100000740034_200015260668 [1,1,0,0,0,0|1,0,0]=3 315 B12R1.2279 O=CCNC1(CCCCC1)CO 34a_100000740034_200009817547 [1,1,0,0,0,0|1,0,0]=3 316 B12R1.2279 O=CCNC1(CCOCC1)CO 2230a_100000751404_200015260668 [1,1,0,0,0,0|2,0,0]=4 317 B12R1.2279 O=CCNC1(CCOCC1)CO 34a_100000751404_200009817547 [1,1,0,0,0,0|2,0,0]=4 318 B12R1.2279 OCCNC1(CCCCC1)CO 2230a_100000740034_100000211926 [1,1,0,0,0,0|1,0,1]=4 319 B12R1.2279 OCCNC1(CCCCC1)CO 34a_100000740034_100000211926 [1,1,0,0,0,0|1,0,1]=4 320 B12R1.2629 C=CCC1(CCCCC1)OCC 34a_200011216858_100000210202 [1,1,0,0,0,0|2,0,0]=4 321 B12R1.2629 C=CCC1(CCCCC1)OCC 7a_200011216858_100000210202 [1,1,0,0,0,0|2,0,0]=4 322 B12R1.2629 C=CCC1(CCCCC1)OCF 34a_200011216858_100015361967 [1,1,0,0,0,0|2,0,0]=4 323 B12R1.2629 C=CCC1(CCCCC1)OCF 7a_200011216858_100015361967 [1,1,0,0,0,0|2,0,0]=4 324 B12R1.3534 CCC1(CCCC1)NC(=O)CO 240690a_100015183760_100000210174 [0,1,0,0,1,0|2,0,0]=4 325 B12R1.3534 CCC1(CCCC1)NC(=O)CO 527a_100015183760_100000210174 [0,1,0,0,1,0|2,0,0]=4 326 B12R1.3534 O=C(CO)NC1(CCCC1)CO 240690a_100000749328_100000210174 [0,1,0,0,1,0|2,0,0]=4 327 B12R1.3534 O=C(CO)NC1(CCCC1)CO 527a_100000749328_100000210174 [0,1,0,0,1,0|2,0,0]=4 328 B12R1.668 CC1CCCCC1(N[13CH3])C(=O)O 269956a_103496528836_200025704644 [0,1,0,0,1,0|2,0,0]=4 329 B12R1.668 CCC1(CCCCN1C)C(=O)O 269956a_100015183942_200000210301 [0,1,0,0,1,0|2,0,0]=4 330 B12R1.668 CCC1(CCCCN1[13CH3])C(=O)O 269956a_100015183942_200025704644 [0,1,0,0,1,0|2,0,0]=4 331 B12R1.668 CNC1(CCCCC1C)C(=O)O 269956a_103496528836_200000210301 [0,1,0,0,1,0|2,0,0]=4 332 B12R1.3824 CCC1(CCN(CC1)C)C(=O)O 269956a_100000698063_200000210301 [0,1,0,0,1,0|2,0,0]=4 333 B12R1.3824 CCC1(CCN(CC1)[13CH3])C(=O)O 269956a_100000698063_200025704644 [0,1,0,0,1,0|2,0,0]=4 334 B14R1.11378 CC(=O)C(C)NC1(CCCCC1)CO 2230a_100000740034_100009814033 [0,1,0,0,0,1|2,0,0]=4 335 B14R1.11378 CC(NC1(CCCCC1)CO)C(=O)N 2230a_100000740034_100000702099 [0,1,0,0,0,1|2,0,0]=4 336 B14R1.11378 CC(NC1(CCCCC1)CO)C(=O)N 34a_100000740034_100000702099 [0,1,0,0,0,1|2,0,0]=4 337 B14R1.11378 CC(OC1(CCCCC1)CN)C(=O)N 34a_100000748649_100000702099 [0,1,0,0,0,1|1,0,0]=3 338 B14R1.11378 CC(OC1(CCOCC1)CN)C(=O)N 34a_100000704115_100000702099 [0,1,0,0,0,1|2,0,0]=4 339 B14R1.11378 CC(OC1(CCSCC1)CN)C(=O)N 34a_100000758141_100000702099 [0,1,0,0,0,1|2,0,0]=4 340 B14R1.11378 CCC1(CCCCC1)OC(C)C(=O)C 7a_100011216009_100000179758 [0,1,0,0,0,1|2,0,0]=4 341 B14R1.11378 CCC1(CCCCC1)OC(C)C(=O)N 34a_100011216009_100000702099 [0,1,0,0,0,1|2,0,0]=4 342 B14R1.11378 CCC1(CCCCC1)OC(C)C(=O)N 7a_100011216009_100000702099 [0,1,0,0,0,1|2,0,0]=4 343 B14R1.11378 CCC1(CCCCC1)OC(F)C(=O)N 34a_100011216009_100009813875 [0,1,0,0,0,1|2,0,0]=4 344 B14R1.11378 CCC1(CCCCC1)OC(F)C(=O)N 7a_100011216009_100009813875 [0,1,0,0,0,1|2,0,0]=4 345 B14R1.11378 CCC1(CCCCC1)OC(F)C(=O)[O-] 34a_100011216009_100020610796 [0,1,0,0,0,1|1,0,1]=4 346 B14R1.11378 NC(=O)C(F)NC1(CCCCC1)CO 2230a_100000740034_100009813875 [0,1,0,0,0,1|2,0,0]=4 347 B14R1.11378 NC(=O)C(F)NC1(CCCCC1)CO 34a_100000740034_100009813875 [0,1,0,0,0,1|2,0,0]=4 348 B14R1.11378 NCC1(CCCCC1)OC(F)C(=O)N 34a_100000748649_100009813875 [0,1,0,0,0,1|1,0,0]=3 349 B14R1.11378 NCC1(CCCCC1)OC(F)C(=O)[O-] 34a_100000748649_100020610796 [0,1,0,0,0,1|0,0,1]=3 350 B14R1.11378 NCC1(CCOCC1)OC(F)C(=O)N 34a_100000704115_100009813875 [0,1,0,0,0,1|2,0,0]=4 351 B14R1.11378 NCC1(CCOCC1)OC(F)C(=O)[O-] 34a_100000704115_100020610796 [0,1,0,0,0,1|1,0,1]=4 352 B14R1.11378 NCC1(CCSCC1)OC(F)C(=O)N 34a_100000758141_100009813875 [0,1,0,0,0,1|2,0,0]=4 353 B14R1.11378 NCC1(CCSCC1)OC(F)C(=O)[O-] 34a_100000758141_100020610796 [0,1,0,0,0,1|1,0,1]=4 354 B14R1.11378 O=C([O-])C(F)NC1(CCCCC1)CO 34a_100000740034_100020610796 [0,1,0,0,0,1|1,0,1]=4 355 B14R1.12777 C=C(C)COC1(CCCCC1)CCN 34a_100102740465_100000748629 [0,1,0,0,0,1|2,0,0]=4 356 B14R1.12777 C=C(F)COC1(CCCCC1)CCN 34a_100102740465_100009893438 [0,1,0,0,0,1|2,0,0]=4 357 B14R1.12777 C=CCC1(CCCCC1)OCC(=O)N 34a_200011216858_100000187820 [0,1,0,0,0,1|2,0,0]=4 358 B14R1.12777 C=CCC1(CCCCC1)OCC(=O)N 7a_200011216858_100000187820 [0,1,0,0,0,1|2,0,0]=4 359 B14R1.12777 C=CCC1(CCCCC1)OCC(=O)[O-] 34a_200011216858_100020667443 [0,1,0,0,0,1|1,0,1]=4 360 B14R1.12777 CC(O)COC1(CCCCC1)CCN 34a_100102740465_100011218427 [0,1,0,0,0,1|1,0,1]=4 361 B14R1.12777 CCCC1(CCCCC1)OCC(=O)N 34a_200011215981_100000187820 [0,1,0,0,0,1|2,0,0]=4 362 B14R1.12777 CCCC1(CCCCC1)OCC(=O)N 7a_200011215981_100000187820 [0,1,0,0,0,1|2,0,0]=4 363 B14R1.12777 CCCC1(CCCCC1)OCC(=O)[O-] 34a_200011215981_100020667443 [0,1,0,0,0,1|1,0,1]=4 364 B14R1.12777 C[C@@H](O)COC1(CCCCC1)CCN 34a_100102740465_100009817552 [0,1,0,0,0,1|1,0,1]=4 365 B14R1.12777 NCCC1(CCCCC1)OCC(=O)N 34a_100102740465_100000187820 [0,1,0,0,0,1|1,0,0]=3 366 B14R1.12777 NCCC1(CCCCC1)OCC(=O)[O-] 34a_100102740465_100020667443 [0,1,0,0,0,1|0,0,1]=3 367 B14R1.12777 NCCC1(CCCCC1)OC[N+](=O)[O-] 34a_100102740465_100000761209 [0,1,0,0,0,1|1,0,1]=4 368 B14R1.16404 CC(C)C1(CCCCC1)OCC(=O)N 34a_100011345648_100000187820 [0,1,0,0,0,1|2,0,0]=4 369 B14R1.16404 CC(C)C1(CCCCC1)OCC(=O)N 7a_100011345648_100000187820 [0,1,0,0,0,1|2,0,0]=4 370 B14R1.16404 CC(C)C1(CCCCC1)OCC(=O)[O-] 34a_100011345648_100020667443 [0,1,0,0,0,1|1,0,1]=4 371 B14R1.16404 NC(=O)C1(CCCCC1)NCC(=O)[O-] 34a_100000746659_100020667443 [0,1,0,0,0,1|0,0,2]=4 372 B14R1.16404 NC(=O)CNC1(CCCCC1)C(=O)N 2230a_100000746659_100000747473 [0,1,0,0,0,1|1,0,1]=4 373 B14R1.16404 NC(=O)CNC1(CCCCC1)C(=O)N 34a_100000746659_100000187820 [0,1,0,0,0,1|1,0,1]=4 374 B14R1.19612 C#CC1(CCCCC1)NCC(=O)OC 2230a_100132314160_100000747449 [0,1,0,0,0,1|1,0,1]=4 375 B14R1.19612 C#CC1(CCCCC1)NCC(=O)OC 34a_100132314160_100000747449 [0,1,0,0,0,1|1,0,1]=4 376 B14R1.19612 C#CC1(CCCCC1)OCC(=O)OC 34a_100011215672_100000747449 [0,1,0,0,0,1|1,0,1]=4 377 B14R1.19612 C#CC1(CCCCC1)OCC(=O)OC 7a_100011215672_100000747449 [0,1,0,0,0,1|1,0,1]=4 378 B14R1.19612 C=C(C#N)COC1(CCCCC1)CN 34a_100000748649_100000694840 [0,1,0,0,0,1|2,0,0]=4 379 B14R1.19612 C=CC(O)COC1(CCCCC1)CN 34a_100000748649_100000730141 [0,1,0,0,0,1|1,0,1]=4 380 B14R1.19612 C=CC1(CCCCC1)OCC(=O)OC 34a_200011934219_100000747449 [0,1,0,0,0,1|1,0,1]=4 381 B14R1.19612 C=CC1(CCCCC1)OCC(=O)OC 7a_200011934219_100000747449 [0,1,0,0,0,1|1,0,1]=4 382 B14R1.19612 CCC(=O)COC1(CCCCC1)CC 7a_100011216009_100000747405 [0,1,0,0,0,1|2,0,0]=4 383 B14R1.19612 CCC(O)COC1(CCCCC1)CN 34a_100000748649_100011218378 [0,1,0,0,0,1|1,0,1]=4 384 B14R1.19612 CCC1(CCCCC1)OCC(=O)NC 34a_100011216009_100000183359 [0,1,0,0,0,1|2,0,0]=4 385 B14R1.19612 CCC1(CCCCC1)OCC(=O)NC 7a_100011216009_100000183359 [0,1,0,0,0,1|2,0,0]=4 386 B14R1.19612 CCC1(CCCCC1)OCC(=O)OC 34a_100011216009_100000747449 [0,1,0,0,0,1|1,0,0]=3 387 B14R1.19612 CCC1(CCCCC1)OCC(=O)OC 7a_100011216009_100000747449 [0,1,0,0,0,1|1,0,0]=3 388 B14R1.19612 CNC(=O)CNC1(CCCCC1)CO 2230a_100000740034_100000183359 [0,1,0,0,0,1|2,0,0]=4 389 B14R1.19612 CNC(=O)CNC1(CCCCC1)CO 34a_100000740034_100000183359 [0,1,0,0,0,1|2,0,0]=4 390 B14R1.19612 CNC(=O)COC1(CCCCC1)CN 34a_100000748649_100000183359 [0,1,0,0,0,1|1,0,0]=3 391 B14R1.19612 CNC(=O)COC1(CCOCC1)CN 34a_100000704115_100000183359 [0,1,0,0,0,1|2,0,0]=4 392 B14R1.19612 CNC(=O)COC1(CCSCC1)CN 34a_100000758141_100000183359 [0,1,0,0,0,1|2,0,0]=4 393 B14R1.19612 COC(=O)CNC1(CCCCC1)C#N 34a_100000184641_100000747449 [0,1,0,0,0,1|0,0,2]=4 394 B14R1.19612 COC(=O)CNC1(CCCCC1)CO 2230a_100000740034_100000747449 [0,1,0,0,0,1|1,0,0]=3 395 B14R1.19612 COC(=O)CNC1(CCCCC1)CO 34a_100000740034_100000747449 [0,1,0,0,0,1|1,0,0]=3 396 B14R1.19612 COC(=O)CNC1(CCOCC1)CO 2230a_100000751404_100000747449 [0,1,0,0,0,1|2,0,0]=4 397 B14R1.19612 COC(=O)CNC1(CCOCC1)CO 34a_100000751404_100000747449 [0,1,0,0,0,1|2,0,0]=4 398 B14R1.19612 COC(=O)COC1(CCCCC1)CN 34a_100000748649_100000747449 [0,1,0,0,0,1|0,0,0]=2 399 B14R1.19612 COC(=O)COC1(CCOCC1)CN 34a_100000704115_100000747449 [0,1,0,0,0,1|1,0,0]=3 400 B14R1.19612 COC(=O)COC1(CCSCC1)CN 34a_100000758141_100000747449 [0,1,0,0,0,1|1,0,0]=3 401 B14R1.19612 C[C@@H](CO)COC1(CCCCC1)CN 34a_100000748649_100000059175 [0,1,0,0,0,1|1,0,1]=4 402 B14R1.19612 NCC1(CCCCC1)OCC(O)CO 34a_100000748649_100011219619 [0,1,0,0,0,1|0,0,2]=4 403 B14R1.19612 NCC1(CCCCC1)OC[C@@H](O)CF 34a_100000748649_100015614560 [0,1,0,0,0,1|1,0,1]=4 404 B14R1.19612 NCC1(CCCCC1)OC[C@@H](O)CO 34a_100000748649_100009815848 [0,1,0,0,0,1|0,0,2]=4 405 B14R1.19612 O=C(CO)NCC1(CCOCC1)CO 240690a_100000691804_100000210174 [0,1,0,0,0,1|2,0,0]=4 406 B14R1.19612 O=C(CO)NCC1(CCOCC1)CO 527a_100000691804_100000210174 [0,1,0,0,0,1|2,0,0]=4 407 B14R1.23507 CC(C)(O)COC1(CCCCC1)CN 34a_100000748649_100000764493 [0,1,0,0,0,1|1,0,1]=4 408 B14R1.23507 NCC1(CCCCC1)OCS(=O)(=O)[O-] 34a_100000748649_100009817235 [0,1,0,0,0,1|1,0,1]=4 409 B14R1.19189 CCOC(=O)CC1(CCCCC1)OC 7a_100011667585_200000210301 [0,2,0,0,0,0|2,0,0]=4 410 B14R1.19189 CCOC(=O)CC1(CCCCC1)O[13CH3] 7a_100011667585_200025704644 [0,2,0,0,0,0|2,0,0]=4 411 B14R1.19189 COCC(=O)CC1(CCCCC1)C#N 1458a_100000210968_100011219015 [0,2,0,0,0,0|0,0,2]=4 412 B14R1.19189 COCC(=O)NC1(CCCCC1)CO 240690a_100000740034_100000210968 [0,2,0,0,0,0|2,0,0]=4 413 B14R1.19189 COCC(=O)NC1(CCCCC1)CO 527a_100000740034_100000210968 [0,2,0,0,0,0|2,0,0]=4 414 B14R1.19189 N#CC1(CCCCC1)CC(=O)CCO 1458a_100011216618_100011219015 [0,2,0,0,0,0|0,0,2]=4 415 B14R1.19189 O=C(CCO)NC1(CCCCC1)CO 240690a_100000740034_100011216618 [0,2,0,0,0,0|2,0,0]=4 416 B14R1.20277 NC(=O)C1(CCCCC1)NC(=O)CO 240690a_100000746659_100000210174 [0,2,0,0,0,0|1,0,1]=4 417 B14R1.20277 NC(=O)C1(CCCCC1)NC(=O)CO 527a_100000746659_100000210174 [0,2,0,0,0,0|1,0,1]=4 418 B14R1.10691 C#CCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100000184674 [0,2,0,0,0,0|1,0,0]=3 419 B14R1.10691 C#CCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100000184674 [0,2,0,0,0,0|2,0,0]=4 420 B14R1.10691 C=CCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100000210623 [0,2,0,0,0,0|1,0,0]=3 421 B14R1.10691 C=CCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100000210623 [0,2,0,0,0,0|2,0,0]=4 422 B14R1.10691 CCCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100000210207 [0,2,0,0,0,0|1,0,0]=3 423 B14R1.10691 CCCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100000210207 [0,2,0,0,0,0|2,0,0]=4 424 B14R1.10691 CCNCC1(CCCCC1)CC(=O)O 269956a_100000743849_100000210202 [0,2,0,0,0,0|0,0,0]=2 425 B14R1.10691 COCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100000766300 [0,2,0,0,0,0|1,0,0]=3 426 B14R1.10691 COCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100000766300 [0,2,0,0,0,0|2,0,0]=4 427 B14R1.10691 CSCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100011218213 [0,2,0,0,0,0|1,0,0]=3 428 B14R1.10691 CSCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100011218213 [0,2,0,0,0,0|2,0,0]=4 429 B14R1.10691 N#CCNC1(CCCCC1)CC(=O)O 269956a_100000723940_100011215382 [0,2,0,0,0,0|0,0,1]=3 430 B14R1.10691 N#CCNC1(CCOCC1)CC(=O)O 269956a_100000723900_100011215382 [0,2,0,0,0,0|1,0,1]=4 431 B14R1.10691 O=C(O)CC1(CCCCC1)CNCF 269956a_100000743849_100015361967 [0,2,0,0,0,0|0,0,0]=2 432 B14R1.10691 O=C(O)CC1(CCCCC1)NCCF 269956a_100000723940_100011217306 [0,2,0,0,0,0|1,0,0]=3 433 B14R1.10691 O=C(O)CC1(CCCCC1)NCCO 269956a_100000723940_100000211926 [0,2,0,0,0,0|1,0,0]=3 434 B14R1.10691 O=C(O)CC1(CCOCC1)NCCF 269956a_100000723900_100011217306 [0,2,0,0,0,0|2,0,0]=4 435 B14R1.10691 O=C(O)CC1(CCOCC1)NCCO 269956a_100000723900_100000211926 [0,2,0,0,0,0|2,0,0]=4 436 B14R1.10691 O=CCNC1(CCCCC1)CC(=O)O 269956a_100000723940_200015260668 [0,2,0,0,0,0|1,0,0]=3 437 B14R1.10691 O=CCNC1(CCOCC1)CC(=O)O 269956a_100000723900_200015260668 [0,2,0,0,0,0|2,0,0]=4 438 B14R1.16771 CC(=O)CC1(CCCCC1)CC(=O)N 1458a_100011344668_200000210301 [0,2,0,0,0,0|1,0,0]=3 439 B14R1.16771 CC(C)NC1(CCCCC1)CC(=O)O 269956a_100000723940_100000210206 [0,2,0,0,0,0|1,0,0]=3 440 B14R1.16771 CC(C)NC1(CCOCC1)CC(=O)O 269956a_100000723900_100000210206 [0,2,0,0,0,0|2,0,0]=4 441 B14R1.16771 [13CH3]C(=O)CC1(CCCCC1)CC(=O)N 1458a_100011344668_200025704644 [0,2,0,0,0,0|1,0,0]=3 442 B12R1.28 CCCCCN1CCOC(=O)C1 2230a_100000131268_100000210326 [0,0,1,1,0,0|2,0,0]=4 443 B12R1.182 CCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210207 [0,0,1,1,0,0|2,0,0]=4 444 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,0,1,1,0,0|2,0,0]=4 445 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,0,1,1,0,0|2,0,0]=4 446 B12R1.476 CCN(CC(=O)O)C1CCCC1 269956a_100000746405_100000179811 [0,0,1,1,0,0|2,0,0]=4 447 B12R1.522 CCCCCN1CCC1C(=O)O 269956a_100000021838_100000210326 [0,0,1,1,0,0|2,0,0]=4 448 B12R1.2015 CCCNCC1(CC1)CC(=O)O 269956a_100020588786_100000210207 [0,0,1,1,0,0|2,0,0]=4 449 B12R1.2099 CCN(CC(=O)O)CC1CCC1 269956a_100000746405_100000763275 [0,0,1,1,0,0|2,0,0]=4 450 B12R1.2099 CC[C@H](CC(=O)O)NC1CCC1 269956a_100016995926_100000749161 [0,0,1,1,0,0|2,0,0]=4 451 B12R1.2099 O=C(O)C[C@@H](CO)NC1CCC1 269956a_100009816507_100000749161 [0,0,1,1,0,0|2,0,0]=4 452 B12R1.2104 CCN(CCC1CC1)CC(=O)O 269956a_100000746405_100000694398 [0,0,1,1,0,0|2,0,0]=4 453 B12R1.2104 CC[C@H](CC(=O)O)NCC1CC1 269956a_100016995926_100000742324 [0,0,1,1,0,0|2,0,0]=4 454 B12R1.2104 O=C(O)C[C@@H](CO)NCC1CC1 269956a_100009816507_100000742324 [0,0,1,1,0,0|2,0,0]=4 455 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [1,0,0,1,0,0|2,0,0]=4 456 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [1,0,0,1,0,0|2,0,0]=4 457 B12R2.6473 CC(=O)C12CCC(CC1)CC2 1458a_100000687502_200000210301 [0,0,0,1,1,0|2,0,0]=4 458 B12R2.6473 [13CH3]C(=O)C12CCC(CC1)CC2 1458a_100000687502_200025704644 [0,0,0,1,1,0|2,0,0]=4 459 B14R2.43961 NCC1(CCCCC1)OCC2CO2 34a_100000748649_102125554688 [0,0,0,1,0,1|1,0,1]=4 460 B14R2.20134 CCOC12CCCC(C1)CC(=O)C2 34a_200009882635_100000210202 [0,1,0,1,0,0|2,0,0]=4 461 B14R2.20134 O=C1CC2CCCC(C1)(C2)OCF 34a_200009882635_100015361967 [0,1,0,1,0,0|2,0,0]=4 462 B10R0.86 CCCCCC(CC)C(=O)C 1458a_100000697129_200000210301 [0,0,1,0,1,0|2,0,0]=4 463 B10R0.86 CCCCCC(CC)C(=O)[13CH3] 1458a_100000697129_200025704644 [0,0,1,0,1,0|2,0,0]=4 464 B10R0.86 CCCCNC(CO)C(=O)O 269956a_100000187304_100000210211 [0,0,1,0,1,0|2,0,0]=4 465 B10R0.86 CCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210211 [0,0,1,0,1,0|2,0,0]=4 466 B10R0.126 CCNC(CC)(CC)C(=O)O 269956a_100000727939_100000210202 [0,0,1,0,1,0|2,0,0]=4 467 B10R0.133 CCCNC(C)(CC)C(=O)O 269956a_100025756313_100000210207 [0,0,1,0,1,0|2,0,0]=4 468 B10R1.363 CC(=O)C1(CCCCC1)C 1458a_100000762840_200000210301 [1,0,0,0,1,0|1,0,0]=3 469 B10R1.363 CC(=O)C1(CCCCC1)F 1458a_100000069003_200000210301 [1,0,0,0,1,0|2,0,0]=4 470 B10R1.363 CC(=O)C1(CCCCC1)O 1458a_100000242742_200000210301 [1,0,0,0,1,0|2,0,0]=4 471 B10R1.363 CC(=O)C1(CCOCC1)C 1458a_100000749465_200000210301 [1,0,0,0,1,0|2,0,0]=4 472 B10R1.363 CC1(CCCCC1)C(=O)[13CH3] 1458a_100000762840_200025704644 [1,0,0,0,1,0|1,0,0]=3 473 B10R1.363 CC1(CCOCC1)C(=O)[13CH3] 1458a_100000749465_200025704644 [1,0,0,0,1,0|2,0,0]=4 474 B10R1.363 [13CH3]C(=O)C1(CCCCC1)F 1458a_100000069003_200025704644 [1,0,0,0,1,0|2,0,0]=4 475 B10R1.363 [13CH3]C(=O)C1(CCCCC1)O 1458a_100000242742_200025704644 [1,0,0,0,1,0|2,0,0]=4 476 B10R1.529 COCC1(CCCC1)CN 34a_100000699429_200000210301 [1,0,0,0,1,0|2,0,0]=4 477 B10R1.529 [13CH3]OCC1(CCCC1)CN 34a_100000699429_200025704644 [1,0,0,0,1,0|2,0,0]=4 478 B10R1.477 CNC1(CCCC1)C(=O)O 269956a_100000739329_200000210301 [0,0,0,0,2,0|2,0,0]=4 479 B10R1.477 [13CH3]NC1(CCCC1)C(=O)O 269956a_100000739329_200025704644 [0,0,0,0,2,0|2,0,0]=4 480 B12R0.124 CCCCCC(CC)OCC(=O)N 34a_100011215405_100000187820 [0,0,1,0,0,1|2,0,0]=4 481 B12R0.124 CCCCCC(CC)OCC(=O)N 7a_100011215405_100000187820 [0,0,1,0,0,1|2,0,0]=4 482 B12R0.124 CCCCCC(CC)OCC(=O)[O-] 34a_100011215405_100020667443 [0,0,1,0,0,1|1,0,1]=4 483 B12R0.305 CCCC(CC)(CC)OCC(=O)N 7a_200011217480_100000187820 [0,0,1,0,0,1|2,0,0]=4 484 B12R0.359 CCCCC(C)(CC)OCC(=O)N 7a_200011218725_100000187820 [0,0,1,0,0,1|2,0,0]=4 485 B12R1.3110 C=C(C)CNC1(CCCCC1)C 2230a_100000741114_100000748629 [1,0,0,0,0,1|2,0,0]=4 486 B12R1.3110 C=C(C)CNC1(CCCCC1)C 34a_100000741114_100000748629 [1,0,0,0,0,1|2,0,0]=4 487 B12R1.3110 C=C(C)COC1(CCCCC1)C 34a_100011215885_100000748629 [1,0,0,0,0,1|2,0,0]=4 488 B12R1.3110 C=C(C)COC1(CCCCC1)C 7a_100011215885_100000748629 [1,0,0,0,0,1|2,0,0]=4 489 B12R1.3110 C=C(F)CNC1(CCCCC1)C 2230a_100000741114_100009893438 [1,0,0,0,0,1|2,0,0]=4 490 B12R1.3110 C=C(F)CNC1(CCCCC1)C 34a_100000741114_100009893438 [1,0,0,0,0,1|2,0,0]=4 491 B12R1.3110 C=C(F)COC1(CCCCC1)C 34a_100011215885_100009893438 [1,0,0,0,0,1|2,0,0]=4 492 B12R1.3110 C=C(F)COC1(CCCCC1)C 7a_100011215885_100000042424 [1,0,0,0,0,1|2,0,0]=4 493 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [1,0,0,0,0,1|1,0,0]=3 494 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [1,0,0,0,0,1|1,0,0]=3 495 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [1,0,0,0,0,1|1,0,0]=3 496 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [1,0,0,0,0,1|1,0,0]=3 497 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [1,0,0,0,0,1|2,0,0]=4 498 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [1,0,0,0,0,1|2,0,0]=4 499 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [1,0,0,0,0,1|2,0,0]=4 500 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [1,0,0,0,0,1|2,0,0]=4 501 B12R1.3110 CC(=O)NCC1(CCOCC1)C 11a_100000695556_100015343762 [1,0,0,0,0,1|2,0,0]=4 502 B12R1.3110 CC(=O)NCC1(CCOCC1)C 1626a_100000695556_100015343762 [1,0,0,0,0,1|2,0,0]=4 503 B12R1.3110 CC(=O)NCC1(CCOCC1)C 240690a_100000695556_100015343762 [1,0,0,0,0,1|2,0,0]=4 504 B12R1.3110 CC(=O)NCC1(CCOCC1)C 527a_100000695556_100103153847 [1,0,0,0,0,1|2,0,0]=4 505 B12R1.3110 CC(O)CNC1(CCCCC1)C 2230a_100000741114_100011218427 [1,0,0,0,0,1|1,0,1]=4 506 B12R1.3110 CC(O)CNC1(CCCCC1)C 34a_100000741114_100011218427 [1,0,0,0,0,1|1,0,1]=4 507 B12R1.3110 CC(O)COC1(CCCCC1)C 34a_100011215885_100011218427 [1,0,0,0,0,1|1,0,1]=4 508 B12R1.3110 CC(O)COC1(CCCCC1)C 7a_100011215885_100011218427 [1,0,0,0,0,1|1,0,1]=4 509 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [1,0,0,0,0,1|1,0,0]=3 510 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [1,0,0,0,0,1|1,0,0]=3 511 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [1,0,0,0,0,1|0,0,1]=3 512 B12R1.3110 CC1(CCCCC1)NC[N+](=O)[O-] 34a_100000741114_100000761209 [1,0,0,0,0,1|1,0,1]=4 513 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [1,0,0,0,0,1|1,0,0]=3 514 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [1,0,0,0,0,1|1,0,0]=3 515 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [1,0,0,0,0,1|0,0,1]=3 516 B12R1.3110 CC1(CCCCC1)OC[N+](=O)[O-] 34a_100011215885_100000761209 [1,0,0,0,0,1|1,0,1]=4 517 B12R1.3110 CC1(CCOCC1)NCC(=O)N 2230a_100000692449_100000747473 [1,0,0,0,0,1|2,0,0]=4 518 B12R1.3110 CC1(CCOCC1)NCC(=O)N 34a_100000692449_100000187820 [1,0,0,0,0,1|2,0,0]=4 519 B12R1.3110 CC1(CCOCC1)NCC(=O)[O-] 34a_100000692449_100020667443 [1,0,0,0,0,1|1,0,1]=4 520 B12R1.3110 CC1(CCOCC1)OCC(=O)N 34a_100011827762_100000187820 [1,0,0,0,0,1|2,0,0]=4 521 B12R1.3110 CC1(CCOCC1)OCC(=O)N 7a_100011827762_100000187820 [1,0,0,0,0,1|2,0,0]=4 522 B12R1.3110 CC1(CCOCC1)OCC(=O)[O-] 34a_100011827762_100020667443 [1,0,0,0,0,1|1,0,1]=4 523 B12R1.3110 CC1(CCSCC1)OCC(=O)N 34a_200011004327_100000187820 [1,0,0,0,0,1|2,0,0]=4 524 B12R1.3110 CC1(CCSCC1)OCC(=O)N 7a_200011004327_100000187820 [1,0,0,0,0,1|2,0,0]=4 525 B12R1.3110 CC1(CCSCC1)OCC(=O)[O-] 34a_200011004327_100020667443 [1,0,0,0,0,1|1,0,1]=4 526 B12R1.3110 C[C@@H](O)CNC1(CCCCC1)C 2230a_100000741114_100009817552 [1,0,0,0,0,1|1,0,1]=4 527 B12R1.3110 C[C@@H](O)CNC1(CCCCC1)C 34a_100000741114_100009817552 [1,0,0,0,0,1|1,0,1]=4 528 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 34a_100011215885_100009817552 [1,0,0,0,0,1|1,0,1]=4 529 B12R1.3110 C[C@@H](O)COC1(CCCCC1)C 7a_100011215885_100009817552 [1,0,0,0,0,1|1,0,1]=4 530 B12R1.3845 C=C(C)COC1(CCCC1)CN 34a_100000737848_100000748629 [0,0,0,0,1,1|2,0,0]=4 531 B12R1.3845 C=C(F)COC1(CCCC1)CN 34a_100000737848_100009893438 [0,0,0,0,1,1|2,0,0]=4 532 B12R1.3845 CC(=O)NCC1(CCCC1)CO 240690a_100000699429_100015343762 [0,0,0,0,1,1|2,0,0]=4 533 B12R1.3845 CC(=O)NCC1(CCCC1)CO 527a_100000699429_100103153847 [0,0,0,0,1,1|2,0,0]=4 534 B12R1.3845 CC(O)COC1(CCCC1)CN 34a_100000737848_100011218427 [0,0,0,0,1,1|1,0,1]=4 535 B12R1.3845 CCC1(CCCC1)NCC(=O)N 2230a_100015183760_100000747473 [0,0,0,0,1,1|2,0,0]=4 536 B12R1.3845 CCC1(CCCC1)OCC(=O)N 7a_100000752416_100000187820 [0,0,0,0,1,1|2,0,0]=4 537 B12R1.3845 C[C@@H](O)COC1(CCCC1)CN 34a_100000737848_100009817552 [0,0,0,0,1,1|1,0,1]=4 538 B12R1.3845 NC(=O)CNC1(CCCC1)CO 2230a_100000749328_100000747473 [0,0,0,0,1,1|2,0,0]=4 539 B12R1.3845 NC(=O)CNC1(CCCC1)CO 34a_100000749328_100000187820 [0,0,0,0,1,1|2,0,0]=4 540 B12R1.3845 NCC1(CCCC1)OCC(=O)N 34a_100000737848_100000187820 [0,0,0,0,1,1|1,0,0]=3 541 B12R1.3845 NCC1(CCCC1)OCC(=O)[O-] 34a_100000737848_100020667443 [0,0,0,0,1,1|0,0,1]=3 542 B12R1.3845 NCC1(CCCC1)OC[N+](=O)[O-] 34a_100000737848_100000761209 [0,0,0,0,1,1|1,0,1]=4 543 B12R1.3845 O=C([O-])CNC1(CCCC1)CO 34a_100000749328_100020667443 [0,0,0,0,1,1|1,0,1]=4 544 B12R1.2346 CNC1(CCCCCC1)C(=O)O 269956a_100000739333_200000210301 [0,0,0,0,1,1|2,0,0]=4 545 B12R1.2346 [13CH3]NC1(CCCCCC1)C(=O)O 269956a_100000739333_200025704644 [0,0,0,0,1,1|2,0,0]=4 546 B14R1.11379 C=C(C)CCOC1(CCCCC1)CN 34a_100000748649_100000730704 [0,0,0,0,0,2|2,0,0]=4 547 B14R1.11379 CC(=CCOC1(CCCCC1)CN)C 34a_100000748649_100000761012 [0,0,0,0,0,2|2,0,0]=4 548 B14R1.11379 CC(=O)OCNC1(CCCCC1)CO 34a_100000740034_100009813279 [0,0,0,0,0,2|2,0,0]=4 549 B14R1.11379 CC(=O)OCOC1(CCCCC1)CN 34a_100000748649_100009813279 [0,0,0,0,0,2|1,0,0]=3 550 B14R1.11379 CC(=O)OCOC1(CCOCC1)CN 34a_100000704115_100009813279 [0,0,0,0,0,2|2,0,0]=4 551 B14R1.11379 CC(=O)OCOC1(CCSCC1)CN 34a_100000758141_100009813279 [0,0,0,0,0,2|2,0,0]=4 552 B14R1.11379 CC(O)CCOC1(CCCCC1)CN 34a_100000748649_100012276601 [0,0,0,0,0,2|1,0,1]=4 553 B14R1.11379 CCC1(CCCCC1)OCCC(=O)C 7a_100011216009_100000053229 [0,0,0,0,0,2|2,0,0]=4 554 B14R1.11379 CCC1(CCCCC1)OCCC(=O)N 34a_100011216009_100000731001 [0,0,0,0,0,2|2,0,0]=4 555 B14R1.11379 CCC1(CCCCC1)OCCC(=O)N 7a_100011216009_100000744528 [0,0,0,0,0,2|2,0,0]=4 556 B14R1.11379 CCC1(CCCCC1)OCOC(=O)C 34a_100011216009_100009813279 [0,0,0,0,0,2|2,0,0]=4 557 B14R1.11379 N#CC1(CCCCC1)CNCC(=O)O 269956a_100016091260_100011219015 [0,0,0,0,0,2|0,0,2]=4 558 B14R1.11379 NC(=O)CCNC1(CCCCC1)CO 2230a_100000740034_100000744528 [0,0,0,0,0,2|2,0,0]=4 559 B14R1.11379 NC(=O)CCNC1(CCCCC1)CO 34a_100000740034_100000731001 [0,0,0,0,0,2|2,0,0]=4 560 B14R1.11379 NCC1(CCCCC1)OCCC(=O)N 34a_100000748649_100000731001 [0,0,0,0,0,2|1,0,0]=3 561 B14R1.11379 NCC1(CCOCC1)COCC(=O)N 34a_100000691804_100000187820 [0,0,0,0,0,2|2,0,0]=4 562 B14R1.11379 NCC1(CCOCC1)COCC(=O)[O-] 34a_100000691804_100020667443 [0,0,0,0,0,2|1,0,1]=4 563 B14R1.11379 NCC1(CCOCC1)OCCC(=O)N 34a_100000704115_100000731001 [0,0,0,0,0,2|2,0,0]=4 564 B14R1.11379 NCC1(CCSCC1)OCCC(=O)N 34a_100000758141_100000731001 [0,0,0,0,0,2|2,0,0]=4