0 B12R1.43 C=C(C)C(=O)CC1CCCCC1 1458a_100000185857_100000211423 [0,0,0,0,0,0|3,0,1]=4 1 B12R1.43 C=C(C)C(C)NC1CCCCC1 269862a_100000182618_100011216138 [0,0,0,0,0,0|4,0,0]=4 2 B12R1.43 CC(=O)C(=O)NC1CCCCC1 1458a_200011297149_200000210301 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.43 CC(=O)C(C)CC1CCCCC1 1458a_200011416370_200000210301 [0,0,0,0,0,0|2,0,0]=2 4 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000070787_100009831500 [0,0,0,0,0,0|3,0,0]=3 5 B12R1.43 CC(=O)C(C)CN1CCCCC1 1458a_100000740234_200000210301 [0,0,0,0,0,0|3,0,0]=3 6 B12R1.43 CC(=O)C(C)CN1CCOCC1 1458a_100000740327_200000210301 [0,0,0,0,0,0|4,0,0]=4 7 B12R1.43 CC(=O)C(C)NC1CCCCC1 2230a_100000182618_100009814033 [0,0,0,0,0,0|3,0,0]=3 8 B12R1.43 CC(=O)C(C)NC1CCCOC1 2230a_100000719290_100009814033 [0,0,0,0,0,0|4,0,0]=4 9 B12R1.43 CC(=O)C(C)NC1CCOCC1 2230a_100000741149_100009814033 [0,0,0,0,0,0|4,0,0]=4 10 B12R1.43 CC(=O)C(C)NC1CCSCC1 2230a_100000748639_100009814033 [0,0,0,0,0,0|4,0,0]=4 11 B12R1.43 CC(=O)C(C)OC1CCCCC1 34a_100000212229_100000210327 [0,0,0,0,0,0|3,0,0]=3 12 B12R1.43 CC(=O)C(C)OC1CCCCC1 7a_100000210231_100000179758 [0,0,0,0,0,0|3,0,0]=3 13 B12R1.43 CC(=O)C(C)OC1CCCOC1 34a_100000212229_100000693364 [0,0,0,0,0,0|4,0,0]=4 14 B12R1.43 CC(=O)C(C)OC1CCCSC1 7a_100015962668_100000179758 [0,0,0,0,0,0|4,0,0]=4 15 B12R1.43 CC(=O)C(C)OC1CCSCC1 34a_100000212229_100000069128 [0,0,0,0,0,0|4,0,0]=4 16 B12R1.43 CC(=O)C(C)OC1CCSCC1 7a_100000731022_100000179758 [0,0,0,0,0,0|4,0,0]=4 17 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100000210327_100009814033 [0,0,0,0,0,0|3,0,0]=3 18 B12R1.43 CC(=O)C(C)SC1CCCCC1 62a_100009814033_100000210327 [0,0,0,0,0,0|3,0,0]=3 19 B12R1.43 CC(=O)C(C)SC1CCCOC1 62a_100009814033_100000693364 [0,0,0,0,0,0|4,0,0]=4 20 B12R1.43 CC(=O)C(C)SC1CCOCC1 62a_100009814033_100011324220 [0,0,0,0,0,0|4,0,0]=4 21 B12R1.43 CC(=O)C(C)SC1CCSCC1 62a_100009814033_100000069128 [0,0,0,0,0,0|4,0,0]=4 22 B12R1.43 CC(=O)N(C)CC1CCCCC1 11a_100000736448_100015343762 [0,0,0,0,0,0|3,0,0]=3 23 B12R1.43 CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100015343762 [0,0,0,0,0,0|3,0,0]=3 24 B12R1.43 CC(=O)N(C)CC1CCCCC1 240690a_100000736448_100015343762 [0,0,0,0,0,0|3,0,0]=3 25 B12R1.43 CC(=O)N(C)CC1CCCCC1 527a_100000736448_100103153847 [0,0,0,0,0,0|3,0,0]=3 26 B12R1.43 CC(=O)N(C)CC1CCCCO1 11a_100000225654_100015343762 [0,0,0,0,0,0|4,0,0]=4 27 B12R1.43 CC(=O)N(C)CC1CCCCO1 1626a_100000225654_100015343762 [0,0,0,0,0,0|4,0,0]=4 28 B12R1.43 CC(=O)N(C)CC1CCCCO1 240690a_100000225654_100015343762 [0,0,0,0,0,0|4,0,0]=4 29 B12R1.43 CC(=O)N(C)CC1CCCCO1 527a_100000225654_100103153847 [0,0,0,0,0,0|4,0,0]=4 30 B12R1.43 CC(=O)N(C)CC1CCOCC1 11a_100025706683_100015343762 [0,0,0,0,0,0|4,0,0]=4 31 B12R1.43 CC(=O)N(C)CC1CCOCC1 1626a_100025706683_100015343762 [0,0,0,0,0,0|4,0,0]=4 32 B12R1.43 CC(=O)N(C)CC1CCOCC1 240690a_100025706683_100015343762 [0,0,0,0,0,0|4,0,0]=4 33 B12R1.43 CC(=O)N(C)CC1CCOCC1 527a_100025706683_100103153847 [0,0,0,0,0,0|4,0,0]=4 34 B12R1.43 CC(=O)N(C)CC1CCSCC1 11a_100011935259_100015343762 [0,0,0,0,0,0|4,0,0]=4 35 B12R1.43 CC(=O)N(C)CC1CCSCC1 240690a_100011935259_100015343762 [0,0,0,0,0,0|4,0,0]=4 36 B12R1.43 CC(=O)N(C)CC1CCSCC1 527a_100011935259_100103153847 [0,0,0,0,0,0|4,0,0]=4 37 B12R1.43 CC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200000210301 [0,0,0,0,0,0|2,0,0]=2 38 B12R1.43 CC(CC1CCCCC1)C(=O)[13CH3] 1458a_200011416370_200025704644 [0,0,0,0,0,0|2,0,0]=2 39 B12R1.43 CC(CC1CCCCC1)N(C)C 270004a_100102631434_100011215996 [0,0,0,0,0,0|4,0,0]=4 40 B12R1.43 CC(CN1CCCCC1)C(=O)[13CH3] 1458a_100000740234_200025704644 [0,0,0,0,0,0|3,0,0]=3 41 B12R1.43 CC(CN1CCOCC1)C(=O)[13CH3] 1458a_100000740327_200025704644 [0,0,0,0,0,0|4,0,0]=4 42 B12R1.43 CC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702099 [0,0,0,0,0,0|3,0,0]=3 43 B12R1.43 CC(NC1CCCCC1)C(=O)N 34a_100000182618_100000702099 [0,0,0,0,0,0|3,0,0]=3 44 B12R1.43 CC(NC1CCCOC1)C(=O)N 2230a_100000719290_100000702099 [0,0,0,0,0,0|4,0,0]=4 45 B12R1.43 CC(NC1CCCOC1)C(=O)N 34a_100000719290_100000702099 [0,0,0,0,0,0|4,0,0]=4 46 B12R1.43 CC(NC1CCOCC1)C(=O)N 2230a_100000741149_100000702099 [0,0,0,0,0,0|4,0,0]=4 47 B12R1.43 CC(NC1CCOCC1)C(=O)N 34a_100000741149_100000702099 [0,0,0,0,0,0|4,0,0]=4 48 B12R1.43 CC(NC1CCSCC1)C(=O)N 2230a_100000748639_100000702099 [0,0,0,0,0,0|4,0,0]=4 49 B12R1.43 CC(NC1CCSCC1)C(=O)N 34a_100000748639_100000702099 [0,0,0,0,0,0|4,0,0]=4 50 B12R1.43 CC(OC1CCCCC1)C(=O)N 34a_100000210231_100000702099 [0,0,0,0,0,0|3,0,0]=3 51 B12R1.43 CC(OC1CCCCC1)C(=O)N 7a_100000210231_100000702099 [0,0,0,0,0,0|3,0,0]=3 52 B12R1.43 CC(OC1CCCCO1)C(=O)N 34a_100000033831_100000702099 [0,0,0,0,0,0|4,0,0]=4 53 B12R1.43 CC(OC1CCCOC1)C(=O)N 34a_100000754041_100000702099 [0,0,0,0,0,0|4,0,0]=4 54 B12R1.43 CC(OC1CCCSC1)C(=O)N 7a_100015962668_100000702099 [0,0,0,0,0,0|4,0,0]=4 55 B12R1.43 CC(OC1CCOCC1)C(=O)N 34a_100000744328_100000702099 [0,0,0,0,0,0|4,0,0]=4 56 B12R1.43 CC(OC1CCSCC1)C(=O)N 34a_100000731022_100000702099 [0,0,0,0,0,0|4,0,0]=4 57 B12R1.43 CC(OC1CCSCC1)C(=O)N 7a_100000731022_100000702099 [0,0,0,0,0,0|4,0,0]=4 58 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000210327_100000702099 [0,0,0,0,0,0|3,0,0]=3 59 B12R1.43 CC(SC1CCCCC1)C(=O)N 62a_100000702099_100000210327 [0,0,0,0,0,0|3,0,0]=3 60 B12R1.43 CC(SC1CCCOC1)C(=O)N 62a_100000702099_100000693364 [0,0,0,0,0,0|4,0,0]=4 61 B12R1.43 CC(SC1CCOCC1)C(=O)N 62a_100000702099_100011324220 [0,0,0,0,0,0|4,0,0]=4 62 B12R1.43 CC(SC1CCSCC1)C(=O)N 62a_100000702099_100000069128 [0,0,0,0,0,0|4,0,0]=4 63 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 270004a_100000119354_100000210434 [0,0,0,0,0,0|3,0,0]=3 64 B12R1.43 C[C@@H](NC1CCCCC1)C(=O)N 34a_100000119354_100000210327 [0,0,0,0,0,0|3,0,0]=3 65 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 270004a_100000119354_100000753404 [0,0,0,0,0,0|4,0,0]=4 66 B12R1.43 C[C@@H](NC1CCCOC1)C(=O)N 34a_100000119354_100000693364 [0,0,0,0,0,0|4,0,0]=4 67 B12R1.43 C[C@@H](NC1CCCSC1)C(=O)N 270004a_100000119354_100000057913 [0,0,0,0,0,0|4,0,0]=4 68 B12R1.43 C[C@@H](NC1CCNCC1)C(=O)N 270004a_100000119354_100015192401 [0,0,0,0,0,0|4,0,0]=4 69 B12R1.43 C[C@@H](NC1CCOCC1)C(=O)N 270004a_100000119354_100011217826 [0,0,0,0,0,0|4,0,0]=4 70 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 270004a_100000119354_100000203788 [0,0,0,0,0,0|4,0,0]=4 71 B12R1.43 C[C@@H](NC1CCSCC1)C(=O)N 34a_100000119354_100000069128 [0,0,0,0,0,0|4,0,0]=4 72 B12R1.43 C[C@@H](O)C(=O)CC1CCCCC1 1458a_100000717761_100000211423 [0,0,0,0,0,0|2,0,2]=4 73 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 34a_100000731257_100000210327 [0,0,0,0,0,0|3,0,0]=3 74 B12R1.43 C[C@@H](OC1CCCCC1)C(=O)N 7a_100000731257_100000210327 [0,0,0,0,0,0|3,0,0]=3 75 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 34a_100000731257_100000693364 [0,0,0,0,0,0|4,0,0]=4 76 B12R1.43 C[C@@H](OC1CCCOC1)C(=O)N 7a_100000731257_100000693364 [0,0,0,0,0,0|4,0,0]=4 77 B12R1.43 C[C@@H](OC1CCOCC1)C(=O)N 7a_100000731257_100000686592 [0,0,0,0,0,0|4,0,0]=4 78 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 34a_100000731257_100000069128 [0,0,0,0,0,0|4,0,0]=4 79 B12R1.43 C[C@@H](OC1CCSCC1)C(=O)N 7a_100000731257_100011500858 [0,0,0,0,0,0|4,0,0]=4 80 B12R1.43 C[C@H](NC1C=CCCC1)C(=O)O 269956a_100000743915_100000751183 [0,0,0,0,0,0|2,0,2]=4 81 B12R1.43 C[C@H](NC1CCCCC1)C(=O)O 269956a_100000743915_100000210327 [0,0,0,0,0,0|2,0,0]=2 82 B12R1.43 C[C@H](NC1CCCOC1)C(=O)O 269956a_100000743915_100000693364 [0,0,0,0,0,0|3,0,0]=3 83 B12R1.43 C[C@H](NC1CCOCC1)C(=O)O 269956a_100000743915_100011324220 [0,0,0,0,0,0|3,0,0]=3 84 B12R1.43 C[C@H](NC1CCSCC1)C(=O)O 269956a_100000743915_100000069128 [0,0,0,0,0,0|3,0,0]=3 85 B12R1.43 C[C@H](O)C(=O)CC1CCCCC1 1458a_217856618621_100000211423 [0,0,0,0,0,0|2,0,2]=4 86 B12R1.43 C[C@H](OC1CCCCC1)C(=O)[O-] 7a_217856618621_100000210327 [0,0,0,0,0,0|2,0,1]=3 87 B12R1.43 C[C@H](OC1CCCOC1)C(=O)[O-] 7a_217856618621_100000693364 [0,0,0,0,0,0|3,0,1]=4 88 B12R1.43 C[C@H](OC1CCOCC1)C(=O)[O-] 7a_217856618621_100000686592 [0,0,0,0,0,0|3,0,1]=4 89 B12R1.43 C[C@H](OC1CCSCC1)C(=O)[O-] 7a_217856618621_100011500858 [0,0,0,0,0,0|3,0,1]=4 90 B12R1.43 NC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100011215815 [0,0,0,0,0,0|3,0,1]=4 91 B12R1.43 NC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813875 [0,0,0,0,0,0|3,0,0]=3 92 B12R1.43 NC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813875 [0,0,0,0,0,0|3,0,0]=3 93 B12R1.43 NC(=O)C(F)NC1CCCOC1 2230a_100000719290_100009813875 [0,0,0,0,0,0|4,0,0]=4 94 B12R1.43 NC(=O)C(F)NC1CCCOC1 34a_100000719290_100009813875 [0,0,0,0,0,0|4,0,0]=4 95 B12R1.43 NC(=O)C(F)NC1CCOCC1 2230a_100000741149_100009813875 [0,0,0,0,0,0|4,0,0]=4 96 B12R1.43 NC(=O)C(F)NC1CCOCC1 34a_100000741149_100009813875 [0,0,0,0,0,0|4,0,0]=4 97 B12R1.43 NC(=O)C(F)NC1CCSCC1 2230a_100000748639_100009813875 [0,0,0,0,0,0|4,0,0]=4 98 B12R1.43 NC(=O)C(F)NC1CCSCC1 34a_100000748639_100009813875 [0,0,0,0,0,0|4,0,0]=4 99 B12R1.43 NC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813875 [0,0,0,0,0,0|3,0,0]=3 100 B12R1.43 NC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813875 [0,0,0,0,0,0|3,0,0]=3 101 B12R1.43 NC(=O)C(F)OC1CCCCO1 34a_100000033831_100009813875 [0,0,0,0,0,0|4,0,0]=4 102 B12R1.43 NC(=O)C(F)OC1CCCOC1 34a_100000754041_100009813875 [0,0,0,0,0,0|4,0,0]=4 103 B12R1.43 NC(=O)C(F)OC1CCCSC1 7a_100015962668_100009813875 [0,0,0,0,0,0|4,0,0]=4 104 B12R1.43 NC(=O)C(F)OC1CCOCC1 34a_100000744328_100009813875 [0,0,0,0,0,0|4,0,0]=4 105 B12R1.43 NC(=O)C(F)OC1CCSCC1 34a_100000731022_100009813875 [0,0,0,0,0,0|4,0,0]=4 106 B12R1.43 NC(=O)C(F)OC1CCSCC1 7a_100000731022_100009813875 [0,0,0,0,0,0|4,0,0]=4 107 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813875 [0,0,0,0,0,0|3,0,0]=3 108 B12R1.43 NC(=O)C(F)SC1CCCCC1 62a_100009813875_100000210327 [0,0,0,0,0,0|3,0,0]=3 109 B12R1.43 NC(=O)C(F)SC1CCCOC1 62a_100009813875_100000693364 [0,0,0,0,0,0|4,0,0]=4 110 B12R1.43 NC(=O)C(F)SC1CCOCC1 62a_100009813875_100011324220 [0,0,0,0,0,0|4,0,0]=4 111 B12R1.43 NC(=O)C(F)SC1CCSCC1 62a_100009813875_100000069128 [0,0,0,0,0,0|4,0,0]=4 112 B12R1.43 O=C(CC1CCCCC1)C(O)O 1458a_100000233687_100000211423 [0,0,0,0,0,0|1,0,3]=4 113 B12R1.43 O=C([O-])C(F)NC1CCCCC1 34a_100000182618_100020610796 [0,0,0,0,0,0|2,0,1]=3 114 B12R1.43 O=C([O-])C(F)NC1CCCOC1 34a_100000719290_100020610796 [0,0,0,0,0,0|3,0,1]=4 115 B12R1.43 O=C([O-])C(F)NC1CCOCC1 34a_100000741149_100020610796 [0,0,0,0,0,0|3,0,1]=4 116 B12R1.43 O=C([O-])C(F)NC1CCSCC1 34a_100000748639_100020610796 [0,0,0,0,0,0|3,0,1]=4 117 B12R1.43 O=C([O-])C(F)OC1CCCCC1 34a_100000210231_100020610796 [0,0,0,0,0,0|2,0,1]=3 118 B12R1.43 O=C([O-])C(F)OC1CCCCO1 34a_100000033831_100020610796 [0,0,0,0,0,0|3,0,1]=4 119 B12R1.43 O=C([O-])C(F)OC1CCCOC1 34a_100000754041_100020610796 [0,0,0,0,0,0|3,0,1]=4 120 B12R1.43 O=C([O-])C(F)OC1CCOCC1 34a_100000744328_100020610796 [0,0,0,0,0,0|3,0,1]=4 121 B12R1.43 O=C([O-])C(F)OC1CCSCC1 34a_100000731022_100020610796 [0,0,0,0,0,0|3,0,1]=4 122 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100000210327_100020610796 [0,0,0,0,0,0|2,0,1]=3 123 B12R1.43 O=C([O-])C(F)SC1CCCCC1 62a_100020610796_100000210327 [0,0,0,0,0,0|2,0,1]=3 124 B12R1.43 O=C([O-])C(F)SC1CCCOC1 62a_100020610796_100000693364 [0,0,0,0,0,0|3,0,1]=4 125 B12R1.43 O=C([O-])C(F)SC1CCOCC1 62a_100020610796_100011324220 [0,0,0,0,0,0|3,0,1]=4 126 B12R1.43 O=C([O-])C(F)SC1CCSCC1 62a_100020610796_100000069128 [0,0,0,0,0,0|3,0,1]=4 127 B12R1.43 [13CH3]C(=O)C(=O)NC1CCCCC1 1458a_200011297149_200025704644 [0,0,0,0,0,0|3,0,1]=4 128 B12R1.43 [13CH3]C(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_200025704644 [0,0,0,0,0,0|2,0,0]=2 129 B11R1.40 C=CC(=O)CC1CCCCC1 1458a_100000185746_100000211423 [1,0,0,0,0,0|2,0,1]=4 130 B11R1.40 C=CC(C)OC1CCCCC1 34a_100000695699_100000210327 [1,0,0,0,0,0|3,0,0]=4 131 B11R1.40 C=CC(C)SC1CCCCC1 62a_100011215867_100000210327 [1,0,0,0,0,0|3,0,0]=4 132 B11R1.40 CC(CO)NC1CCCCC1 2230a_100000182618_100012180447 [1,0,0,0,0,0|2,0,1]=4 133 B11R1.40 CC(CO)NC1CCCCC1 34a_100000182618_100012180447 [1,0,0,0,0,0|2,0,1]=4 134 B11R1.40 CC(CO)OC1CCCCC1 34a_100000210231_100012180447 [1,0,0,0,0,0|2,0,1]=4 135 B11R1.40 CC(CO)OC1CCCCC1 7a_100000210231_100012180447 [1,0,0,0,0,0|2,0,1]=4 136 B11R1.40 CC(CO)SC1CCCCC1 62a_100012180447_100000210327 [1,0,0,0,0,0|2,0,1]=4 137 B11R1.40 CNC(C)CC1CCCCC1 270004a_106832991635_100011215996 [1,0,0,0,0,0|3,0,0]=4 138 B11R1.40 C[C@H](CO)NC1CCCCC1 270004a_100000737577_100000210434 [1,0,0,0,0,0|2,0,1]=4 139 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100000210327_100016084084 [1,0,0,0,0,0|2,0,1]=4 140 B11R1.40 C[C@H](CO)SC1CCCCC1 62a_100016084084_100000210327 [1,0,0,0,0,0|2,0,1]=4 141 B11R1.40 O=C(CO)CC1CCCCC1 1458a_100000210174_100000211423 [1,0,0,0,0,0|1,0,2]=4 142 B11R1.91 C=C(C)CNC1CCCCC1 2230a_100000182618_100000748629 [1,0,0,0,0,0|3,0,0]=4 143 B11R1.91 C=C(C)CNC1CCCCC1 34a_100000182618_100000748629 [1,0,0,0,0,0|3,0,0]=4 144 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210231_100000748629 [1,0,0,0,0,0|3,0,0]=4 145 B11R1.91 C=C(C)COC1CCCCC1 34a_100000210245_100000210327 [1,0,0,0,0,0|3,0,0]=4 146 B11R1.91 C=C(C)COC1CCCCC1 7a_100000210231_100000748629 [1,0,0,0,0,0|3,0,0]=4 147 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000210327_100000211660 [1,0,0,0,0,0|3,0,0]=4 148 B11R1.91 C=C(C)CSC1CCCCC1 62a_100000748629_100000210327 [1,0,0,0,0,0|3,0,0]=4 149 B11R1.91 C=C(F)CNC1CCCCC1 2230a_100000182618_100009893438 [1,0,0,0,0,0|3,0,0]=4 150 B11R1.91 C=C(F)CNC1CCCCC1 34a_100000182618_100009893438 [1,0,0,0,0,0|3,0,0]=4 151 B11R1.91 C=C(F)COC1CCCCC1 34a_100000210231_100009893438 [1,0,0,0,0,0|3,0,0]=4 152 B11R1.91 C=C(F)COC1CCCCC1 34a_200010262243_100000210327 [1,0,0,0,0,0|3,0,0]=4 153 B11R1.91 C=C(F)COC1CCCCC1 7a_100000210231_100000042424 [1,0,0,0,0,0|3,0,0]=4 154 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000042424_100000210327 [1,0,0,0,0,0|3,0,0]=4 155 B11R1.91 C=C(F)CSC1CCCCC1 62a_100000210327_100000042424 [1,0,0,0,0,0|3,0,0]=4 156 B11R1.91 CC(=O)C=CC1CCCCC1 1458a_100102566626_200000210301 [1,0,0,0,0,0|1,0,2]=4 157 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000070787_100011273959 [1,0,0,0,0,0|1,0,0]=2 158 B11R1.91 CC(=O)CCC1CCCCC1 1458a_100000211375_200000210301 [1,0,0,0,0,0|1,0,0]=2 159 B11R1.91 CC(=O)CCC1CCOCC1 1458a_100000070787_100011934994 [1,0,0,0,0,0|2,0,0]=3 160 B11R1.91 CC(=O)CCC1OCCCO1 1458a_100000070787_100000764188 [1,0,0,0,0,0|3,0,0]=4 161 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000070787_100000739454 [1,0,0,0,0,0|2,0,0]=3 162 B11R1.91 CC(=O)CCN1CCCCC1 1458a_100000743487_200000210301 [1,0,0,0,0,0|2,0,0]=3 163 B11R1.91 CC(=O)CCN1CCCCO1 1458a_200015184090_200000210301 [1,0,0,0,0,0|3,0,0]=4 164 B11R1.91 CC(=O)CCN1CCCOC1 269982a_100000131196_100000053229 [1,0,0,0,0,0|3,0,0]=4 165 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000070787_100000753993 [1,0,0,0,0,0|3,0,0]=4 166 B11R1.91 CC(=O)CCN1CCOCC1 1458a_100000749337_200000210301 [1,0,0,0,0,0|3,0,0]=4 167 B11R1.91 CC(=O)CCN1CCOCC1 269982a_100015191051_100000053229 [1,0,0,0,0,0|3,0,0]=4 168 B11R1.91 CC(=O)CCN1CCSCC1 269982a_100000737611_100000053229 [1,0,0,0,0,0|3,0,0]=4 169 B11R1.91 CC(=O)COC1CCCCC1 1458a_100000070787_100011935260 [1,0,0,0,0,0|2,0,0]=3 170 B11R1.91 CC(=O)COC1CCCCC1 1458a_100011223303_200000210301 [1,0,0,0,0,0|2,0,0]=3 171 B11R1.91 CC(=O)COC1CCCCC1 34a_100000211253_100000210327 [1,0,0,0,0,0|2,0,0]=3 172 B11R1.91 CC(=O)COC1CCCOC1 34a_100000211253_100000693364 [1,0,0,0,0,0|3,0,0]=4 173 B11R1.91 CC(=O)COC1CCSCC1 34a_100000211253_100000069128 [1,0,0,0,0,0|3,0,0]=4 174 B11R1.91 CC(=O)NCC1CCCCC1 11a_100000210473_100015343762 [1,0,0,0,0,0|2,0,0]=3 175 B11R1.91 CC(=O)NCC1CCCCC1 1626a_100000210473_100015343762 [1,0,0,0,0,0|2,0,0]=3 176 B11R1.91 CC(=O)NCC1CCCCC1 240690a_100000210473_100015343762 [1,0,0,0,0,0|2,0,0]=3 177 B11R1.91 CC(=O)NCC1CCCCC1 527a_100000210473_100103153847 [1,0,0,0,0,0|2,0,0]=3 178 B11R1.91 CC(=O)NCC1CCCCO1 11a_100000174945_100015343762 [1,0,0,0,0,0|3,0,0]=4 179 B11R1.91 CC(=O)NCC1CCCCO1 1626a_100000174945_100015343762 [1,0,0,0,0,0|3,0,0]=4 180 B11R1.91 CC(=O)NCC1CCCCO1 240690a_100000174945_100015343762 [1,0,0,0,0,0|3,0,0]=4 181 B11R1.91 CC(=O)NCC1CCCCO1 527a_100000174945_100103153847 [1,0,0,0,0,0|3,0,0]=4 182 B11R1.91 CC(=O)NCC1CCCOC1 11a_100000720124_100015343762 [1,0,0,0,0,0|3,0,0]=4 183 B11R1.91 CC(=O)NCC1CCCOC1 1626a_100000720124_100015343762 [1,0,0,0,0,0|3,0,0]=4 184 B11R1.91 CC(=O)NCC1CCCOC1 240690a_100000720124_100015343762 [1,0,0,0,0,0|3,0,0]=4 185 B11R1.91 CC(=O)NCC1CCCOC1 527a_100000720124_100103153847 [1,0,0,0,0,0|3,0,0]=4 186 B11R1.91 CC(=O)NCC1CCOCC1 11a_100000746373_100015343762 [1,0,0,0,0,0|3,0,0]=4 187 B11R1.91 CC(=O)NCC1CCOCC1 1626a_100000746373_100015343762 [1,0,0,0,0,0|3,0,0]=4 188 B11R1.91 CC(=O)NCC1CCOCC1 240690a_100000746373_100015343762 [1,0,0,0,0,0|3,0,0]=4 189 B11R1.91 CC(=O)NCC1CCOCC1 527a_100000746373_100103153847 [1,0,0,0,0,0|3,0,0]=4 190 B11R1.91 CC(=O)NCC1CCSCC1 11a_100015188806_100015343762 [1,0,0,0,0,0|3,0,0]=4 191 B11R1.91 CC(=O)NCC1CCSCC1 240690a_100015188806_100015343762 [1,0,0,0,0,0|3,0,0]=4 192 B11R1.91 CC(=O)NCC1CCSCC1 527a_100015188806_100103153847 [1,0,0,0,0,0|3,0,0]=4 193 B11R1.91 CC(=O)NNC1CCCCC1 22a_100000709804_100000070787 [1,0,0,0,0,0|3,0,0]=4 194 B11R1.91 CC(O)CNC1CCCCC1 2230a_100000182618_100011218427 [1,0,0,0,0,0|2,0,1]=4 195 B11R1.91 CC(O)CNC1CCCCC1 270004a_100000210904_100000210434 [1,0,0,0,0,0|2,0,1]=4 196 B11R1.91 CC(O)CNC1CCCCC1 34a_100000182618_100011218427 [1,0,0,0,0,0|2,0,1]=4 197 B11R1.91 CC(O)CNC1CCCCC1 34a_100000210904_100000210327 [1,0,0,0,0,0|2,0,1]=4 198 B11R1.91 CC(O)COC1CCCCC1 34a_100000210231_100011218427 [1,0,0,0,0,0|2,0,1]=4 199 B11R1.91 CC(O)COC1CCCCC1 7a_100000210231_100011218427 [1,0,0,0,0,0|2,0,1]=4 200 B11R1.91 CC(O)CSC1CCCCC1 62a_100000210327_100011218427 [1,0,0,0,0,0|2,0,1]=4 201 B11R1.91 CC(O)CSC1CCCCC1 62a_100011218427_100000210327 [1,0,0,0,0,0|2,0,1]=4 202 B11R1.91 CN(C)CCC1CCCCC1 2230a_100102631434_100012355289 [1,0,0,0,0,0|3,0,0]=4 203 B11R1.91 CN(C)CCC1CCCCC1 269982a_100102631434_100011273959 [1,0,0,0,0,0|3,0,0]=4 204 B11R1.91 CN(C)CCC1CCCCC1 270004a_100102631434_100011713444 [1,0,0,0,0,0|3,0,0]=4 205 B11R1.91 C[C@@H](O)CNC1CCCCC1 2230a_100000182618_100009817552 [1,0,0,0,0,0|2,0,1]=4 206 B11R1.91 C[C@@H](O)CNC1CCCCC1 34a_100000182618_100009817552 [1,0,0,0,0,0|2,0,1]=4 207 B11R1.91 C[C@@H](O)COC1CCCCC1 34a_100000210231_100009817552 [1,0,0,0,0,0|2,0,1]=4 208 B11R1.91 C[C@@H](O)COC1CCCCC1 7a_100000210231_100009817552 [1,0,0,0,0,0|2,0,1]=4 209 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100000210327_100009817552 [1,0,0,0,0,0|2,0,1]=4 210 B11R1.91 C[C@@H](O)CSC1CCCCC1 62a_100009817552_100000210327 [1,0,0,0,0,0|2,0,1]=4 211 B11R1.91 NC(=O)CCN1CCCOC1 2230a_100000131196_100000744528 [1,0,0,0,0,0|3,0,0]=4 212 B11R1.91 NC(=O)CCN1CCCOC1 269982a_100000131196_100000744528 [1,0,0,0,0,0|3,0,0]=4 213 B11R1.91 NC(=O)CCN1CCCOC1 34a_100000131196_100000731001 [1,0,0,0,0,0|3,0,0]=4 214 B11R1.91 NC(=O)CCN1CCOCC1 2230a_100015191051_100000744528 [1,0,0,0,0,0|3,0,0]=4 215 B11R1.91 NC(=O)CCN1CCOCC1 269982a_100015191051_100000744528 [1,0,0,0,0,0|3,0,0]=4 216 B11R1.91 NC(=O)CCN1CCOCC1 34a_100015191051_100000731001 [1,0,0,0,0,0|3,0,0]=4 217 B11R1.91 NC(=O)CCN1CCSCC1 2230a_100000737611_100000744528 [1,0,0,0,0,0|3,0,0]=4 218 B11R1.91 NC(=O)CCN1CCSCC1 269982a_100000737611_100000744528 [1,0,0,0,0,0|3,0,0]=4 219 B11R1.91 NC(=O)CNC1CCCCC1 2230a_100000182618_100000747473 [1,0,0,0,0,0|2,0,0]=3 220 B11R1.91 NC(=O)CNC1CCCCC1 34a_100000182618_100000187820 [1,0,0,0,0,0|2,0,0]=3 221 B11R1.91 NC(=O)CNC1CCCOC1 2230a_100000719290_100000747473 [1,0,0,0,0,0|3,0,0]=4 222 B11R1.91 NC(=O)CNC1CCCOC1 34a_100000719290_100000187820 [1,0,0,0,0,0|3,0,0]=4 223 B11R1.91 NC(=O)CNC1CCOCC1 2230a_100000741149_100000747473 [1,0,0,0,0,0|3,0,0]=4 224 B11R1.91 NC(=O)CNC1CCOCC1 34a_100000741149_100000187820 [1,0,0,0,0,0|3,0,0]=4 225 B11R1.91 NC(=O)CNC1CCSCC1 2230a_100000748639_100000747473 [1,0,0,0,0,0|3,0,0]=4 226 B11R1.91 NC(=O)CNC1CCSCC1 34a_100000748639_100000187820 [1,0,0,0,0,0|3,0,0]=4 227 B11R1.91 NC(=O)COC1CCCCC1 34a_100000210231_100000187820 [1,0,0,0,0,0|2,0,0]=3 228 B11R1.91 NC(=O)COC1CCCCC1 7a_100000210231_100000187820 [1,0,0,0,0,0|2,0,0]=3 229 B11R1.91 NC(=O)COC1CCCCO1 34a_100000033831_100000187820 [1,0,0,0,0,0|3,0,0]=4 230 B11R1.91 NC(=O)COC1CCCOC1 34a_100000754041_100000187820 [1,0,0,0,0,0|3,0,0]=4 231 B11R1.91 NC(=O)COC1CCCSC1 7a_100015962668_100000187820 [1,0,0,0,0,0|3,0,0]=4 232 B11R1.91 NC(=O)COC1CCOCC1 34a_100000744328_100000187820 [1,0,0,0,0,0|3,0,0]=4 233 B11R1.91 NC(=O)COC1CCSCC1 34a_100000731022_100000187820 [1,0,0,0,0,0|3,0,0]=4 234 B11R1.91 NC(=O)COC1CCSCC1 7a_100000731022_100000187820 [1,0,0,0,0,0|3,0,0]=4 235 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000210327_100000747473 [1,0,0,0,0,0|2,0,0]=3 236 B11R1.91 NC(=O)CSC1CCCCC1 62a_100000747473_100000210327 [1,0,0,0,0,0|2,0,0]=3 237 B11R1.91 NC(=O)CSC1CCCOC1 62a_100000747473_100000693364 [1,0,0,0,0,0|3,0,0]=4 238 B11R1.91 NC(=O)CSC1CCOCC1 62a_100000747473_100011324220 [1,0,0,0,0,0|3,0,0]=4 239 B11R1.91 NC(=O)CSC1CCSCC1 62a_100000747473_100000069128 [1,0,0,0,0,0|3,0,0]=4 240 B11R1.91 O=C(O)CNC1C=CCCC1 269956a_100016091260_100000751183 [1,0,0,0,0,0|1,0,2]=4 241 B11R1.91 O=C(O)CNC1CCCCC1 269956a_100016091260_100000210327 [1,0,0,0,0,0|1,0,0]=2 242 B11R1.91 O=C(O)CNC1CCCOC1 269956a_100016091260_100000693364 [1,0,0,0,0,0|2,0,0]=3 243 B11R1.91 O=C(O)CNC1CCOCC1 269956a_100016091260_100011324220 [1,0,0,0,0,0|2,0,0]=3 244 B11R1.91 O=C(O)CNC1CCSCC1 269956a_100016091260_100000069128 [1,0,0,0,0,0|2,0,0]=3 245 B11R1.91 O=C([O-])CNC1CCCCC1 34a_100000182618_100020667443 [1,0,0,0,0,0|1,0,1]=3 246 B11R1.91 O=C([O-])CNC1CCCOC1 34a_100000719290_100020667443 [1,0,0,0,0,0|2,0,1]=4 247 B11R1.91 O=C([O-])CNC1CCOCC1 34a_100000741149_100020667443 [1,0,0,0,0,0|2,0,1]=4 248 B11R1.91 O=C([O-])CNC1CCSCC1 34a_100000748639_100020667443 [1,0,0,0,0,0|2,0,1]=4 249 B11R1.91 O=C([O-])COC1CCCCC1 34a_100000210231_100020667443 [1,0,0,0,0,0|1,0,1]=3 250 B11R1.91 O=C([O-])COC1CCCCO1 34a_100000033831_100020667443 [1,0,0,0,0,0|2,0,1]=4 251 B11R1.91 O=C([O-])COC1CCCOC1 34a_100000754041_100020667443 [1,0,0,0,0,0|2,0,1]=4 252 B11R1.91 O=C([O-])COC1CCOCC1 34a_100000744328_100020667443 [1,0,0,0,0,0|2,0,1]=4 253 B11R1.91 O=C([O-])COC1CCSCC1 34a_100000731022_100020667443 [1,0,0,0,0,0|2,0,1]=4 254 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100000210327_100020667443 [1,0,0,0,0,0|1,0,1]=3 255 B11R1.91 O=C([O-])CSC1CCCCC1 62a_100020667443_100000210327 [1,0,0,0,0,0|1,0,1]=3 256 B11R1.91 O=C([O-])CSC1CCCOC1 62a_100020667443_100000693364 [1,0,0,0,0,0|2,0,1]=4 257 B11R1.91 O=C([O-])CSC1CCOCC1 62a_100020667443_100011324220 [1,0,0,0,0,0|2,0,1]=4 258 B11R1.91 O=C([O-])CSC1CCSCC1 62a_100020667443_100000069128 [1,0,0,0,0,0|2,0,1]=4 259 B11R1.91 O=[N+]([O-])CNC1CCCCC1 34a_100000182618_100000761209 [1,0,0,0,0,0|2,0,1]=4 260 B11R1.91 O=[N+]([O-])COC1CCCCC1 34a_100000210231_100000761209 [1,0,0,0,0,0|2,0,1]=4 261 B11R1.91 O=[N+]([O-])CSC1CCCCC1 62a_100000210327_100000761209 [1,0,0,0,0,0|2,0,1]=4 262 B11R1.91 [13CH3]C(=O)C=CC1CCCCC1 1458a_100102566626_200025704644 [1,0,0,0,0,0|1,0,2]=4 263 B11R1.91 [13CH3]C(=O)CCC1CCCCC1 1458a_100000211375_200025704644 [1,0,0,0,0,0|1,0,0]=2 264 B11R1.91 [13CH3]C(=O)CCN1CCCCC1 1458a_100000743487_200025704644 [1,0,0,0,0,0|2,0,0]=3 265 B11R1.91 [13CH3]C(=O)CCN1CCCCO1 1458a_200015184090_200025704644 [1,0,0,0,0,0|3,0,0]=4 266 B11R1.91 [13CH3]C(=O)CCN1CCOCC1 1458a_100000749337_200025704644 [1,0,0,0,0,0|3,0,0]=4 267 B11R1.91 [13CH3]C(=O)COC1CCCCC1 1458a_100011223303_200025704644 [1,0,0,0,0,0|2,0,0]=3 268 B13R1.133 CC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100009814033 [0,1,0,0,0,0|3,0,0]=4 269 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 34a_100000212229_200011216234 [0,1,0,0,0,0|3,0,0]=4 270 B13R1.133 CC(=O)C(C)OC1CCC(CC1)C 7a_100000210714_100000179758 [0,1,0,0,0,0|3,0,0]=4 271 B13R1.133 CC(=O)C(C)SC1CCC(CC1)C 62a_100009814033_200011216234 [0,1,0,0,0,0|3,0,0]=4 272 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 2230a_100020625639_100000702099 [0,1,0,0,0,0|3,0,0]=4 273 B13R1.133 CC(N[C@H]1CC[C@@H](CC1)C)C(=O)N 34a_100020625639_100000702099 [0,1,0,0,0,0|3,0,0]=4 274 B13R1.133 CC(O[C@H]1CC[C@H](CC1)N)C(=O)N 34a_100020628982_100000702099 [0,1,0,0,0,0|3,0,0]=4 275 B13R1.133 CC1CCC(CC1)N[C@@H](C)C(=O)O 269956a_100000743915_200011216234 [0,1,0,0,0,0|2,0,0]=3 276 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 270004a_100000119354_100000185489 [0,1,0,0,0,0|3,0,0]=4 277 B13R1.133 CC1CCC(CC1)N[C@H](C)C(=O)N 34a_100000119354_200011216234 [0,1,0,0,0,0|3,0,0]=4 278 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 34a_100000210714_100000702099 [0,1,0,0,0,0|3,0,0]=4 279 B13R1.133 CC1CCC(CC1)OC(C)C(=O)N 7a_100000210714_100000702099 [0,1,0,0,0,0|3,0,0]=4 280 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 34a_100000210714_100009813875 [0,1,0,0,0,0|3,0,0]=4 281 B13R1.133 CC1CCC(CC1)OC(F)C(=O)N 7a_100000210714_100009813875 [0,1,0,0,0,0|3,0,0]=4 282 B13R1.133 CC1CCC(CC1)OC(F)C(=O)[O-] 34a_100000210714_100020610796 [0,1,0,0,0,0|2,0,1]=4 283 B13R1.133 CC1CCC(CC1)O[C@H](C)C(=O)N 34a_100000731257_200011216234 [0,1,0,0,0,0|3,0,0]=4 284 B13R1.133 CC1CCC(CC1)SC(C)C(=O)N 62a_100000702099_200011216234 [0,1,0,0,0,0|3,0,0]=4 285 B13R1.133 CC1CCC(CC1)SC(F)C(=O)N 62a_100009813875_200011216234 [0,1,0,0,0,0|3,0,0]=4 286 B13R1.133 CC1CCC(CC1)SC(F)C(=O)[O-] 62a_100020610796_200011216234 [0,1,0,0,0,0|2,0,1]=4 287 B13R1.133 C[C@@H](NC1CCC(CC1)O)C(=O)N 270004a_100000119354_100000764474 [0,1,0,0,0,0|3,0,0]=4 288 B13R1.133 C[C@H](NC1CCN(CC1)C)C(=O)O 269956a_100000743915_100011215917 [0,1,0,0,0,0|3,0,0]=4 289 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 2230a_100020625639_100009813875 [0,1,0,0,0,0|3,0,0]=4 290 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)N 34a_100020625639_100009813875 [0,1,0,0,0,0|3,0,0]=4 291 B13R1.133 C[C@H]1CC[C@@H](CC1)NC(F)C(=O)[O-] 34a_100020625639_100020610796 [0,1,0,0,0,0|2,0,1]=4 292 B13R1.133 NC(=O)C(F)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100009813875 [0,1,0,0,0,0|3,0,0]=4 293 B13R1.133 N[C@H]1CC[C@H](CC1)OC(F)C(=O)[O-] 34a_100020628982_100020610796 [0,1,0,0,0,0|2,0,1]=4 294 B13R1.135 C#CC(=O)C(C)CN1CCCCC1 1458a_100000211873_100009831500 [0,1,0,0,0,0|3,0,0]=4 295 B13R1.135 C=CC(=O)C(C)CN1CCCCC1 1458a_100000185746_100009831500 [0,1,0,0,0,0|3,0,0]=4 296 B13R1.135 C=CC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000185746 [0,1,0,0,0,0|3,0,0]=4 297 B13R1.135 C=CC(=O)N(C)CC1CCCCC1 240690a_100000736448_200121576911 [0,1,0,0,0,0|3,0,0]=4 298 B13R1.135 CC(CC1CCCCC1)C(=O)CF 1458a_200011416370_100015361967 [0,1,0,0,0,0|2,0,0]=3 299 B13R1.135 CC(CN1CCCCC1)C(=O)CF 1458a_100000740234_100015361967 [0,1,0,0,0,0|3,0,0]=4 300 B13R1.135 CC(CN1CCCCC1)C(=O)CO 1458a_100000210174_100009831500 [0,1,0,0,0,0|2,0,0]=3 301 B13R1.135 CC(OC1CCCCC1)C(=O)NN 34a_100000725659_100000210327 [0,1,0,0,0,0|3,0,0]=4 302 B13R1.135 CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210202 [0,1,0,0,0,0|2,0,0]=3 303 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000210414_100009831500 [0,1,0,0,0,0|3,0,0]=4 304 B13R1.135 CCC(=O)C(C)CN1CCCCC1 1458a_100000740234_100000210202 [0,1,0,0,0,0|3,0,0]=4 305 B13R1.135 CCC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000742827 [0,1,0,0,0,0|3,0,0]=4 306 B13R1.135 CCC(=O)C(C)OC1CCCCC1 7a_100000210231_100000742827 [0,1,0,0,0,0|3,0,0]=4 307 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000210327_100000742827 [0,1,0,0,0,0|3,0,0]=4 308 B13R1.135 CCC(=O)C(C)SC1CCCCC1 62a_100000742827_100000210327 [0,1,0,0,0,0|3,0,0]=4 309 B13R1.135 CCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000210414 [0,1,0,0,0,0|3,0,0]=4 310 B13R1.135 CCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000210414 [0,1,0,0,0,0|3,0,0]=4 311 B13R1.135 CCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000210414 [0,1,0,0,0,0|3,0,0]=4 312 B13R1.135 CCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000210414 [0,1,0,0,0,0|3,0,0]=4 313 B13R1.135 CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210202 [0,1,0,0,0,0|2,0,0]=3 314 B13R1.135 CN(CC1CCCCC1)C(=O)CO 240690a_100000736448_100000210174 [0,1,0,0,0,0|2,0,0]=3 315 B13R1.135 CN(CC1CCCCC1)C(=O)CO 527a_100000736448_100000210174 [0,1,0,0,0,0|2,0,0]=3 316 B13R1.135 CN(CC1CCCCO1)C(=O)CO 240690a_100000225654_100000210174 [0,1,0,0,0,0|3,0,0]=4 317 B13R1.135 CN(CC1CCCCO1)C(=O)CO 527a_100000225654_100000210174 [0,1,0,0,0,0|3,0,0]=4 318 B13R1.135 CN(CC1CCOCC1)C(=O)CO 240690a_100025706683_100000210174 [0,1,0,0,0,0|3,0,0]=4 319 B13R1.135 CN(CC1CCOCC1)C(=O)CO 527a_100025706683_100000210174 [0,1,0,0,0,0|3,0,0]=4 320 B13R1.135 CN(CC1CCSCC1)C(=O)CO 240690a_100011935259_100000210174 [0,1,0,0,0,0|3,0,0]=4 321 B13R1.135 CN(CC1CCSCC1)C(=O)CO 527a_100011935259_100000210174 [0,1,0,0,0,0|3,0,0]=4 322 B13R1.135 CNC(=O)C(=O)CC1CCCCC1 1458a_100011218921_100000211423 [0,1,0,0,0,0|2,0,1]=4 323 B13R1.135 CNC(=O)C(C)CC1CCCCC1 11a_106832991635_200011416370 [0,1,0,0,0,0|2,0,0]=3 324 B13R1.135 CNC(=O)C(C)CC1CCCCC1 1626a_100102657272_200011416370 [0,1,0,0,0,0|2,0,0]=3 325 B13R1.135 CNC(=O)C(C)CC1CCCCC1 240690a_100102657272_200011416370 [0,1,0,0,0,0|2,0,0]=3 326 B13R1.135 CNC(=O)C(C)CC1CCCCC1 527a_100102657272_200011416370 [0,1,0,0,0,0|2,0,0]=3 327 B13R1.135 CNC(=O)C(C)CN1CCCCC1 11a_106832991635_100000740234 [0,1,0,0,0,0|3,0,0]=4 328 B13R1.135 CNC(=O)C(C)CN1CCCCC1 240690a_100102657272_100000740234 [0,1,0,0,0,0|3,0,0]=4 329 B13R1.135 CNC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000731044 [0,1,0,0,0,0|3,0,0]=4 330 B13R1.135 CNC(=O)C(C)NC1CCCCC1 34a_100000182618_100000731044 [0,1,0,0,0,0|3,0,0]=4 331 B13R1.135 CNC(=O)C(C)OC1CCCCC1 34a_100000210231_100000731044 [0,1,0,0,0,0|3,0,0]=4 332 B13R1.135 CNC(=O)C(C)OC1CCCCC1 7a_100000210231_100000209862 [0,1,0,0,0,0|3,0,0]=4 333 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000209862_100000210327 [0,1,0,0,0,0|3,0,0]=4 334 B13R1.135 CNC(=O)C(C)SC1CCCCC1 62a_100000210327_100000731044 [0,1,0,0,0,0|3,0,0]=4 335 B13R1.135 CNC(=O)C(F)NC1CCCCC1 2230a_100000182618_100009813575 [0,1,0,0,0,0|3,0,0]=4 336 B13R1.135 CNC(=O)C(F)NC1CCCCC1 34a_100000182618_100009813575 [0,1,0,0,0,0|3,0,0]=4 337 B13R1.135 CNC(=O)C(F)OC1CCCCC1 34a_100000210231_100009813575 [0,1,0,0,0,0|3,0,0]=4 338 B13R1.135 CNC(=O)C(F)OC1CCCCC1 7a_100000210231_100009813575 [0,1,0,0,0,0|3,0,0]=4 339 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100000210327_100009813575 [0,1,0,0,0,0|3,0,0]=4 340 B13R1.135 CNC(=O)C(F)SC1CCCCC1 62a_100009813575_100000210327 [0,1,0,0,0,0|3,0,0]=4 341 B13R1.135 CNC(=O)N(C)CC1CCCCC1 2708a_100102657272_100000736448 [0,1,0,0,0,0|3,0,0]=4 342 B13R1.135 CNC(=O)N(C)CC1CCCCC1 273464a_100102657272_100000736448 [0,1,0,0,0,0|3,0,0]=4 343 B13R1.135 CNC(=O)[C@@H](C)NC1CCCCC1 34a_100000684985_100000210327 [0,1,0,0,0,0|3,0,0]=4 344 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 240690a_100102657272_100016183741 [0,1,0,0,0,0|2,0,0]=3 345 B13R1.135 CNC(=O)[C@H](O)CC1CCCCC1 527a_100102657272_100016183741 [0,1,0,0,0,0|2,0,0]=3 346 B13R1.135 COC(=O)C(=O)NC1CCCCC1 11a_100000182618_100000024059 [0,1,0,0,0,0|2,0,1]=4 347 B13R1.135 COC(=O)C(=O)NC1CCCCC1 1626a_100000182618_100000024059 [0,1,0,0,0,0|2,0,1]=4 348 B13R1.135 COC(=O)C(=O)NC1CCCCC1 240690a_100000182618_100000024059 [0,1,0,0,0,0|2,0,1]=4 349 B13R1.135 COC(=O)C(=O)NC1CCCCC1 527a_100000182618_100000024059 [0,1,0,0,0,0|2,0,1]=4 350 B13R1.135 COC(=O)C(C)CN1CCCOC1 269982a_100000131196_100000698445 [0,1,0,0,0,0|3,0,0]=4 351 B13R1.135 COC(=O)C(C)CN1CCCOC1 34a_100000131196_100000698445 [0,1,0,0,0,0|3,0,0]=4 352 B13R1.135 COC(=O)C(C)CN1CCOCC1 269982a_100015191051_100000698445 [0,1,0,0,0,0|3,0,0]=4 353 B13R1.135 COC(=O)C(C)CN1CCOCC1 34a_100015191051_100000698445 [0,1,0,0,0,0|3,0,0]=4 354 B13R1.135 COC(=O)C(C)CN1CCSCC1 269982a_100000737611_100000698445 [0,1,0,0,0,0|3,0,0]=4 355 B13R1.135 COC(=O)C(C)NC1CCCCC1 2230a_100000182618_100000211248 [0,1,0,0,0,0|2,0,0]=3 356 B13R1.135 COC(=O)C(C)NC1CCCCC1 34a_100000182618_100000211248 [0,1,0,0,0,0|2,0,0]=3 357 B13R1.135 COC(=O)C(C)NC1CCCOC1 2230a_100000719290_100000211248 [0,1,0,0,0,0|3,0,0]=4 358 B13R1.135 COC(=O)C(C)NC1CCCOC1 34a_100000719290_100000211248 [0,1,0,0,0,0|3,0,0]=4 359 B13R1.135 COC(=O)C(C)NC1CCOCC1 2230a_100000741149_100000211248 [0,1,0,0,0,0|3,0,0]=4 360 B13R1.135 COC(=O)C(C)NC1CCOCC1 34a_100000741149_100000211248 [0,1,0,0,0,0|3,0,0]=4 361 B13R1.135 COC(=O)C(C)NC1CCSCC1 2230a_100000748639_100000211248 [0,1,0,0,0,0|3,0,0]=4 362 B13R1.135 COC(=O)C(C)NC1CCSCC1 34a_100000748639_100000211248 [0,1,0,0,0,0|3,0,0]=4 363 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100000210231_100000211248 [0,1,0,0,0,0|2,0,0]=3 364 B13R1.135 COC(=O)C(C)OC1CCCCC1 34a_100011215400_100000210327 [0,1,0,0,0,0|2,0,0]=3 365 B13R1.135 COC(=O)C(C)OC1CCCCC1 7a_100000210231_100000211248 [0,1,0,0,0,0|2,0,0]=3 366 B13R1.135 COC(=O)C(C)OC1CCCCO1 34a_100000033831_100000211248 [0,1,0,0,0,0|3,0,0]=4 367 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100000754041_100000211248 [0,1,0,0,0,0|3,0,0]=4 368 B13R1.135 COC(=O)C(C)OC1CCCOC1 34a_100011215400_100000693364 [0,1,0,0,0,0|3,0,0]=4 369 B13R1.135 COC(=O)C(C)OC1CCCSC1 7a_100015962668_100000211248 [0,1,0,0,0,0|3,0,0]=4 370 B13R1.135 COC(=O)C(C)OC1CCOCC1 34a_100000744328_100000211248 [0,1,0,0,0,0|3,0,0]=4 371 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100000731022_100000211248 [0,1,0,0,0,0|3,0,0]=4 372 B13R1.135 COC(=O)C(C)OC1CCSCC1 34a_100011215400_100000069128 [0,1,0,0,0,0|3,0,0]=4 373 B13R1.135 COC(=O)C(C)OC1CCSCC1 7a_100000731022_100000211248 [0,1,0,0,0,0|3,0,0]=4 374 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000210327_100000211248 [0,1,0,0,0,0|2,0,0]=3 375 B13R1.135 COC(=O)C(C)SC1CCCCC1 62a_100000211248_100000210327 [0,1,0,0,0,0|2,0,0]=3 376 B13R1.135 COC(=O)C(C)SC1CCCOC1 62a_100000211248_100000693364 [0,1,0,0,0,0|3,0,0]=4 377 B13R1.135 COC(=O)C(C)SC1CCOCC1 62a_100000211248_100011324220 [0,1,0,0,0,0|3,0,0]=4 378 B13R1.135 COC(=O)C(C)SC1CCSCC1 62a_100000211248_100000069128 [0,1,0,0,0,0|3,0,0]=4 379 B13R1.135 O=C(CF)[C@H](O)CC1CCCCC1 1458a_100016183741_100015361967 [0,1,0,0,0,0|2,0,0]=3 380 B13R1.148 CC(=O)C(C)NC1CCCC(C1)C 2230a_100011194320_100009814033 [0,1,0,0,0,0|3,0,0]=4 381 B13R1.148 CC(=O)C(C)NC1CCCC(C1)O 2230a_100015190357_100009814033 [0,1,0,0,0,0|3,0,0]=4 382 B13R1.148 CC(NC1CCCC(C1)O)C(=O)N 2230a_100015190357_100000702099 [0,1,0,0,0,0|3,0,0]=4 383 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 2230a_100011194320_100000702099 [0,1,0,0,0,0|3,0,0]=4 384 B13R1.148 CC1CCCC(C1)NC(C)C(=O)N 34a_100011194320_100000702099 [0,1,0,0,0,0|3,0,0]=4 385 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 2230a_100011194320_100009813875 [0,1,0,0,0,0|3,0,0]=4 386 B13R1.148 CC1CCCC(C1)NC(F)C(=O)N 34a_100011194320_100009813875 [0,1,0,0,0,0|3,0,0]=4 387 B13R1.148 CC1CCCC(C1)NC(F)C(=O)[O-] 34a_100011194320_100020610796 [0,1,0,0,0,0|2,0,1]=4 388 B13R1.148 CC1CCCC(C1)N[C@H](C)C(=O)N 270004a_100000119354_100000183594 [0,1,0,0,0,0|3,0,0]=4 389 B13R1.148 CC1CCCC(C1)OC(C)C(=O)N 34a_100000211399_100000702099 [0,1,0,0,0,0|3,0,0]=4 390 B13R1.148 CC1CCCC(C1)OC(F)C(=O)N 34a_100000211399_100009813875 [0,1,0,0,0,0|3,0,0]=4 391 B13R1.148 CC1CCCC(C1)OC(F)C(=O)[O-] 34a_100000211399_100020610796 [0,1,0,0,0,0|2,0,1]=4 392 B13R1.148 C[C@@H](NC1CCCC(C1)O)C(=O)N 270004a_100000119354_100012613340 [0,1,0,0,0,0|3,0,0]=4 393 B13R1.148 NC(=O)C(F)NC1CCCC(C1)O 2230a_100015190357_100009813875 [0,1,0,0,0,0|3,0,0]=4 394 B13R1.152 CC(=O)C(C)C(=O)C1CCCCC1 1458a_100000210647_100000179758 [0,1,0,0,0,0|2,0,1]=4 395 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 2230a_100000207522_100009814033 [0,1,0,0,0,0|3,0,0]=4 396 B13R1.152 CC(=O)C(C)N(C)C1CCCCC1 269982a_100000207522_100009814033 [0,1,0,0,0,0|3,0,0]=4 397 B13R1.152 CC(C(=O)N)C(=O)C1CCCCC1 1458a_100000210647_100000702099 [0,1,0,0,0,0|2,0,1]=4 398 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 2230a_100000207522_100000702099 [0,1,0,0,0,0|3,0,0]=4 399 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 269982a_100000207522_100000184083 [0,1,0,0,0,0|3,0,0]=4 400 B13R1.152 CC(C(=O)N)N(C)C1CCCCC1 34a_100000207522_100000702099 [0,1,0,0,0,0|3,0,0]=4 401 B13R1.152 CC(C(=O)O)N(C)C1CCCCC1 269956a_100000749554_100000210327 [0,1,0,0,0,0|2,0,0]=3 402 B13R1.152 CC(C(=O)O)N(C)C1CCCOC1 269956a_100000749554_100000693364 [0,1,0,0,0,0|3,0,0]=4 403 B13R1.152 CC(C(=O)O)N(C)C1CCOCC1 269956a_100000749554_100011324220 [0,1,0,0,0,0|3,0,0]=4 404 B13R1.152 CC(C(=O)O)N(C)C1CCSCC1 269956a_100000749554_100000069128 [0,1,0,0,0,0|3,0,0]=4 405 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 2230a_100000207522_100009813875 [0,1,0,0,0,0|3,0,0]=4 406 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 269982a_100000207522_100009813875 [0,1,0,0,0,0|3,0,0]=4 407 B13R1.152 CN(C1CCCCC1)C(F)C(=O)N 34a_100000207522_100009813875 [0,1,0,0,0,0|3,0,0]=4 408 B13R1.152 CN(C1CCCCC1)C(F)C(=O)[O-] 34a_100000207522_100020610796 [0,1,0,0,0,0|2,0,1]=4 409 B13R1.152 NC(=O)C(F)C(=O)C1CCCCC1 1458a_100000210647_100009813875 [0,1,0,0,0,0|2,0,1]=4 410 B13R1.152 O=C([O-])C(F)C(=O)C1CCCCC1 1458a_100000210647_100020610796 [0,1,0,0,0,0|1,0,2]=4 411 B13R1.202 CC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100009814033 [0,1,0,0,0,0|3,0,0]=4 412 B13R1.202 CC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009814033 [0,1,0,0,0,0|3,0,0]=4 413 B13R1.202 CC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000179758 [0,1,0,0,0,0|3,0,0]=4 414 B13R1.202 CC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100000179758 [0,1,0,0,0,0|3,0,0]=4 415 B13R1.202 CC(=O)C(C)OC1CCCCC1F 34a_100000212229_100015423560 [0,1,0,0,0,0|3,0,0]=4 416 B13R1.202 CC(=O)C(C)OC1CCCCC1O 34a_100000212229_100000038908 [0,1,0,0,0,0|3,0,0]=4 417 B13R1.202 CC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000179758 [0,1,0,0,0,0|3,0,0]=4 418 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100009814033_100015423560 [0,1,0,0,0,0|3,0,0]=4 419 B13R1.202 CC(=O)C(C)SC1CCCCC1F 62a_100015423560_100009814033 [0,1,0,0,0,0|3,0,0]=4 420 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100000038908_100009814033 [0,1,0,0,0,0|3,0,0]=4 421 B13R1.202 CC(=O)C(C)SC1CCCCC1O 62a_100009814033_100000038908 [0,1,0,0,0,0|3,0,0]=4 422 B13R1.202 CC(NC1CCCCC1C)C(=O)N 2230a_100000211402_100000702099 [0,1,0,0,0,0|3,0,0]=4 423 B13R1.202 CC(NC1CCCCC1C)C(=O)N 34a_100000211402_100000702099 [0,1,0,0,0,0|3,0,0]=4 424 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 2230a_100015195156_100000702099 [0,1,0,0,0,0|3,0,0]=4 425 B13R1.202 CC(N[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100015195156_100000702099 [0,1,0,0,0,0|3,0,0]=4 426 B13R1.202 CC(OC1CCCCC1C)C(=O)N 34a_100000211207_100000702099 [0,1,0,0,0,0|3,0,0]=4 427 B13R1.202 CC(OC1CCCCC1C)C(=O)N 7a_100000211207_100000702099 [0,1,0,0,0,0|3,0,0]=4 428 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 34a_100000038908_100000702099 [0,1,0,0,0,0|3,0,0]=4 429 B13R1.202 CC(OC1CCCCC1Cl)C(=O)N 7a_100000038908_100000702099 [0,1,0,0,0,0|3,0,0]=4 430 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 34a_100009816020_100000702099 [0,1,0,0,0,0|3,0,0]=4 431 B13R1.202 CC(O[C@@H]1CCCC[C@H]1F)C(=O)N 7a_100009816020_100000702099 [0,1,0,0,0,0|3,0,0]=4 432 B13R1.202 CC(O[C@H]1CCCC[C@H]1N)C(=O)N 34a_100015191688_100000702099 [0,1,0,0,0,0|3,0,0]=4 433 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100000702099_100015423560 [0,1,0,0,0,0|3,0,0]=4 434 B13R1.202 CC(SC1CCCCC1F)C(=O)N 62a_100015423560_100000702099 [0,1,0,0,0,0|3,0,0]=4 435 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000038908_100000702099 [0,1,0,0,0,0|3,0,0]=4 436 B13R1.202 CC(SC1CCCCC1O)C(=O)N 62a_100000702099_100000038908 [0,1,0,0,0,0|3,0,0]=4 437 B13R1.202 CC1CCCCC1NC(F)C(=O)N 2230a_100000211402_100009813875 [0,1,0,0,0,0|3,0,0]=4 438 B13R1.202 CC1CCCCC1NC(F)C(=O)N 34a_100000211402_100009813875 [0,1,0,0,0,0|3,0,0]=4 439 B13R1.202 CC1CCCCC1NC(F)C(=O)[O-] 34a_100000211402_100020610796 [0,1,0,0,0,0|2,0,1]=4 440 B13R1.202 CC1CCCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000210921 [0,1,0,0,0,0|3,0,0]=4 441 B13R1.202 CC1CCCCC1OC(F)C(=O)N 34a_100000211207_100009813875 [0,1,0,0,0,0|3,0,0]=4 442 B13R1.202 CC1CCCCC1OC(F)C(=O)N 7a_100000211207_100009813875 [0,1,0,0,0,0|3,0,0]=4 443 B13R1.202 CC1CCCCC1OC(F)C(=O)[O-] 34a_100000211207_100020610796 [0,1,0,0,0,0|2,0,1]=4 444 B13R1.202 C[C@@H](NC1CCCCC1F)C(=O)N 34a_100000119354_100015423560 [0,1,0,0,0,0|3,0,0]=4 445 B13R1.202 C[C@@H](NC1CCCCC1O)C(=O)N 34a_100000119354_100000038908 [0,1,0,0,0,0|3,0,0]=4 446 B13R1.202 C[C@@H](OC1CCCCC1F)C(=O)N 34a_100000731257_100015423560 [0,1,0,0,0,0|3,0,0]=4 447 B13R1.202 C[C@@H](OC1CCCCC1O)C(=O)N 34a_100000731257_100000038908 [0,1,0,0,0,0|3,0,0]=4 448 B13R1.202 C[C@H](NC1CCCCC1=O)C(=O)O 269956a_100000743915_100000204591 [0,1,0,0,0,0|2,0,1]=4 449 B13R1.202 C[C@H](NC1CCCCC1F)C(=O)O 269956a_100000743915_100015423560 [0,1,0,0,0,0|2,0,0]=3 450 B13R1.202 C[C@H](NC1CCCCC1O)C(=O)O 269956a_100000743915_100000038908 [0,1,0,0,0,0|2,0,0]=3 451 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100009813875 [0,1,0,0,0,0|3,0,0]=4 452 B13R1.202 NC(=O)C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100009813875 [0,1,0,0,0,0|3,0,0]=4 453 B13R1.202 NC(=O)C(F)OC1CCCCC1Cl 34a_100000038908_100009813875 [0,1,0,0,0,0|3,0,0]=4 454 B13R1.202 NC(=O)C(F)OC1CCCCC1Cl 7a_100000038908_100009813875 [0,1,0,0,0,0|3,0,0]=4 455 B13R1.202 NC(=O)C(F)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100009813875 [0,1,0,0,0,0|3,0,0]=4 456 B13R1.202 NC(=O)C(F)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100009813875 [0,1,0,0,0,0|3,0,0]=4 457 B13R1.202 NC(=O)C(F)O[C@H]1CCCC[C@H]1N 34a_100015191688_100009813875 [0,1,0,0,0,0|3,0,0]=4 458 B13R1.202 NC(=O)C(F)SC1CCCCC1F 62a_100009813875_100015423560 [0,1,0,0,0,0|3,0,0]=4 459 B13R1.202 NC(=O)C(F)SC1CCCCC1F 62a_100015423560_100009813875 [0,1,0,0,0,0|3,0,0]=4 460 B13R1.202 NC(=O)C(F)SC1CCCCC1O 62a_100000038908_100009813875 [0,1,0,0,0,0|3,0,0]=4 461 B13R1.202 NC(=O)C(F)SC1CCCCC1O 62a_100009813875_100000038908 [0,1,0,0,0,0|3,0,0]=4 462 B13R1.202 N[C@@H]1CCCC[C@@H]1OC(F)C(=O)[O-] 34a_100015191688_100020610796 [0,1,0,0,0,0|2,0,1]=4 463 B13R1.202 O=C([O-])C(F)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100020610796 [0,1,0,0,0,0|2,0,1]=4 464 B13R1.202 O=C([O-])C(F)OC1CCCCC1Cl 34a_100000038908_100020610796 [0,1,0,0,0,0|2,0,1]=4 465 B13R1.202 O=C([O-])C(F)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100020610796 [0,1,0,0,0,0|2,0,1]=4 466 B13R1.202 O=C([O-])C(F)SC1CCCCC1F 62a_100015423560_100020610796 [0,1,0,0,0,0|2,0,1]=4 467 B13R1.202 O=C([O-])C(F)SC1CCCCC1F 62a_100020610796_100015423560 [0,1,0,0,0,0|2,0,1]=4 468 B13R1.202 O=C([O-])C(F)SC1CCCCC1O 62a_100000038908_100020610796 [0,1,0,0,0,0|2,0,1]=4 469 B13R1.202 O=C([O-])C(F)SC1CCCCC1O 62a_100020610796_100000038908 [0,1,0,0,0,0|2,0,1]=4 470 B13R1.418 C=C[C@H](NC1CCCCC1)C(=O)O 269956a_100016992060_100000210327 [0,1,0,0,0,0|2,0,0]=3 471 B13R1.418 C=C[C@H](NC1CCCOC1)C(=O)O 269956a_100016992060_100000693364 [0,1,0,0,0,0|3,0,0]=4 472 B13R1.418 C=C[C@H](NC1CCOCC1)C(=O)O 269956a_100016992060_100011324220 [0,1,0,0,0,0|3,0,0]=4 473 B13R1.418 C=C[C@H](NC1CCSCC1)C(=O)O 269956a_100016992060_100000069128 [0,1,0,0,0,0|3,0,0]=4 474 B13R1.418 CCC(NC1CCCCC1)C(=O)N 2230a_100000182618_100000750255 [0,1,0,0,0,0|3,0,0]=4 475 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000182618_100000750255 [0,1,0,0,0,0|3,0,0]=4 476 B13R1.418 CCC(NC1CCCCC1)C(=O)N 34a_100000733705_100000210327 [0,1,0,0,0,0|3,0,0]=4 477 B13R1.418 CCC(OC1CCCCC1)C(=O)N 34a_100000210231_100000750255 [0,1,0,0,0,0|3,0,0]=4 478 B13R1.418 CCC(OC1CCCCC1)C(=O)N 7a_100000210231_100000750255 [0,1,0,0,0,0|3,0,0]=4 479 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000210327_100000750255 [0,1,0,0,0,0|3,0,0]=4 480 B13R1.418 CCC(SC1CCCCC1)C(=O)N 62a_100000750255_100000210327 [0,1,0,0,0,0|3,0,0]=4 481 B13R1.418 CC[C@@H](NC1CCCCC1)C(=O)O 269956a_100000747097_100000210327 [0,1,0,0,0,0|2,0,0]=3 482 B13R1.418 CC[C@@H](NC1CCCOC1)C(=O)O 269956a_100000747097_100000693364 [0,1,0,0,0,0|3,0,0]=4 483 B13R1.418 CC[C@@H](NC1CCOCC1)C(=O)O 269956a_100000747097_100011324220 [0,1,0,0,0,0|3,0,0]=4 484 B13R1.418 CC[C@@H](NC1CCSCC1)C(=O)O 269956a_100000747097_100000069128 [0,1,0,0,0,0|3,0,0]=4 485 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200000210301 [0,1,0,0,0,0|1,0,0]=2 486 B13R1.418 CN[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200000210301 [0,1,0,0,0,0|1,0,0]=2 487 B13R1.418 N#CC(NC1CCCCC1)C(=O)N 270004a_100000039599_100000210434 [0,1,0,0,0,0|2,0,1]=4 488 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 270004a_100000729942_100000210434 [0,1,0,0,0,0|3,0,0]=4 489 B13R1.418 NC(=O)[C@H](CO)NC1CCCCC1 34a_100000729942_100000210327 [0,1,0,0,0,0|3,0,0]=4 490 B13R1.418 O=C(O)C(CO)NC1CCCCC1 269956a_100000187304_100000210327 [0,1,0,0,0,0|2,0,0]=3 491 B13R1.418 O=C(O)C(CO)NC1CCCOC1 269956a_100000187304_100000693364 [0,1,0,0,0,0|3,0,0]=4 492 B13R1.418 O=C(O)C(CO)NC1CCOCC1 269956a_100000187304_100011324220 [0,1,0,0,0,0|3,0,0]=4 493 B13R1.418 O=C(O)C(CO)NC1CCSCC1 269956a_100000187304_100000069128 [0,1,0,0,0,0|3,0,0]=4 494 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_200025704644 [0,1,0,0,0,0|1,0,0]=2 495 B13R1.418 [13CH3]N[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_200025704644 [0,1,0,0,0,0|1,0,0]=2 496 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 34a_100000747739_100000210327 [0,1,0,0,0,0|3,0,0]=4 497 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000210231_100000075568 [0,1,0,0,0,0|3,0,0]=4 498 B13R1.1073 CC(=O)C(C)(C)OC1CCCCC1 7a_100000747739_100000210327 [0,1,0,0,0,0|3,0,0]=4 499 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000075568_100000210327 [0,1,0,0,0,0|3,0,0]=4 500 B13R1.1073 CC(=O)C(C)(C)SC1CCCCC1 62a_100000210327_100000075568 [0,1,0,0,0,0|3,0,0]=4 501 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 2230a_100000182618_100000702505 [0,1,0,0,0,0|3,0,0]=4 502 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000182618_100000702505 [0,1,0,0,0,0|3,0,0]=4 503 B13R1.1073 CC(C)(NC1CCCCC1)C(=O)N 34a_100000743658_100000210327 [0,1,0,0,0,0|3,0,0]=4 504 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100000210231_100000702505 [0,1,0,0,0,0|3,0,0]=4 505 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 34a_100011626353_100000210327 [0,1,0,0,0,0|3,0,0]=4 506 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100000210231_100000702505 [0,1,0,0,0,0|3,0,0]=4 507 B13R1.1073 CC(C)(OC1CCCCC1)C(=O)N 7a_100011626353_100000210327 [0,1,0,0,0,0|3,0,0]=4 508 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000210327_100000702505 [0,1,0,0,0,0|3,0,0]=4 509 B13R1.1073 CC(C)(SC1CCCCC1)C(=O)N 62a_100000702505_100000210327 [0,1,0,0,0,0|3,0,0]=4 510 B13R1.1073 NC(=O)C(F)(F)OC1CCCCC1 7a_100000210231_100009811971 [0,1,0,0,0,0|3,0,0]=4 511 B13R1.1073 NC(=O)C(F)(F)SC1CCCCC1 62a_100000210327_100009811971 [0,1,0,0,0,0|3,0,0]=4 512 B13R1.1073 NC(=O)C(F)(F)SC1CCCCC1 62a_100009811971_100000210327 [0,1,0,0,0,0|3,0,0]=4 513 B13R1.1073 O=C([O-])C(F)(F)NC1CCCCC1 34a_100000182618_100020612412 [0,1,0,0,0,0|2,0,1]=4 514 B13R1.1073 O=C([O-])C(F)(F)OC1CCCCC1 34a_100000210231_100020612412 [0,1,0,0,0,0|2,0,1]=4 515 B13R1.1073 O=C([O-])C(F)(F)SC1CCCCC1 62a_100000210327_100000745680 [0,1,0,0,0,0|2,0,1]=4 516 B13R1.1073 O=C([O-])C(F)(F)SC1CCCCC1 62a_100000745680_100000210327 [0,1,0,0,0,0|2,0,1]=4 517 B13R1.6154 CC(=O)C(C)NC1(CCCCC1)C 2230a_100000741114_100009814033 [0,1,0,0,0,0|3,0,0]=4 518 B13R1.6154 CC(=O)C(C)OC1(CCCCC1)C 7a_100011215885_100000179758 [0,1,0,0,0,0|3,0,0]=4 519 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 2230a_100000741114_100000702099 [0,1,0,0,0,0|3,0,0]=4 520 B13R1.6154 CC(NC1(CCCCC1)C)C(=O)N 34a_100000741114_100000702099 [0,1,0,0,0,0|3,0,0]=4 521 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 34a_100011215885_100000702099 [0,1,0,0,0,0|3,0,0]=4 522 B13R1.6154 CC(OC1(CCCCC1)C)C(=O)N 7a_100011215885_100000702099 [0,1,0,0,0,0|3,0,0]=4 523 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 2230a_100000741114_100009813875 [0,1,0,0,0,0|3,0,0]=4 524 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)N 34a_100000741114_100009813875 [0,1,0,0,0,0|3,0,0]=4 525 B13R1.6154 CC1(CCCCC1)NC(F)C(=O)[O-] 34a_100000741114_100020610796 [0,1,0,0,0,0|2,0,1]=4 526 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)N 34a_100011215885_100009813875 [0,1,0,0,0,0|3,0,0]=4 527 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)N 7a_100011215885_100009813875 [0,1,0,0,0,0|3,0,0]=4 528 B13R1.6154 CC1(CCCCC1)OC(F)C(=O)[O-] 34a_100011215885_100020610796 [0,1,0,0,0,0|2,0,1]=4 529 B11R0.37 CCCC(CC)NC(C)C(=O)C 2230a_100000747048_100009814033 [0,0,1,0,0,0|3,0,0]=4 530 B11R0.37 CCCC(CC)NC(C)C(=O)N 2230a_100000747048_100000702099 [0,0,1,0,0,0|3,0,0]=4 531 B11R0.37 CCCC(CC)NC(F)C(=O)N 2230a_100000747048_100009813875 [0,0,1,0,0,0|3,0,0]=4 532 B11R0.37 CCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100011219200 [0,0,1,0,0,0|2,0,0]=3 533 B11R0.37 CCCC(CC)N[C@H](C)C(=O)N 270004a_100000119354_100000687865 [0,0,1,0,0,0|3,0,0]=4 534 B11R0.37 CCCC(CC)OC(C)C(=O)C 7a_100000687864_100000179758 [0,0,1,0,0,0|3,0,0]=4 535 B11R0.37 CCCC(CC)OC(C)C(=O)N 34a_100000687864_100000702099 [0,0,1,0,0,0|3,0,0]=4 536 B11R0.37 CCCC(CC)OC(C)C(=O)N 7a_100000687864_100000702099 [0,0,1,0,0,0|3,0,0]=4 537 B11R0.37 CCCC(CC)OC(F)C(=O)N 34a_100000687864_100009813875 [0,0,1,0,0,0|3,0,0]=4 538 B11R0.37 CCCC(CC)OC(F)C(=O)N 7a_100000687864_100009813875 [0,0,1,0,0,0|3,0,0]=4 539 B11R0.37 CCCC(CC)OC(F)C(=O)[O-] 34a_100000687864_100020610796 [0,0,1,0,0,0|2,0,1]=4 540 B11R0.37 CCCC(CC)O[C@@H](C)C(=O)[O-] 7a_217856618621_100011219200 [0,0,1,0,0,0|2,0,1]=4 541 B11R0.37 CCCC(CC)O[C@H](C)C(=O)N 7a_100000731257_100011219200 [0,0,1,0,0,0|3,0,0]=4 542 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100009814033_100011219200 [0,0,1,0,0,0|3,0,0]=4 543 B11R0.37 CCCC(CC)SC(C)C(=O)C 62a_100011219200_100009814033 [0,0,1,0,0,0|3,0,0]=4 544 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100000702099_100011219200 [0,0,1,0,0,0|3,0,0]=4 545 B11R0.37 CCCC(CC)SC(C)C(=O)N 62a_100011219200_100000702099 [0,0,1,0,0,0|3,0,0]=4 546 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100009813875_100011219200 [0,0,1,0,0,0|3,0,0]=4 547 B11R0.37 CCCC(CC)SC(F)C(=O)N 62a_100011219200_100009813875 [0,0,1,0,0,0|3,0,0]=4 548 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100011219200_100020610796 [0,0,1,0,0,0|2,0,1]=4 549 B11R0.37 CCCC(CC)SC(F)C(=O)[O-] 62a_100020610796_100011219200 [0,0,1,0,0,0|2,0,1]=4 550 B11R0.42 CC(CNCCCCF)C(=O)O 269956a_100000749485_100000729493 [0,0,1,0,0,0|3,0,0]=4 551 B11R0.42 CC(CNCCCCO)C(=O)O 269956a_100000749485_100000210776 [0,0,1,0,0,0|3,0,0]=4 552 B11R0.42 CCCCCCCC(C)C(=O)C 1458a_100000070787_200011218727 [0,0,1,0,0,0|2,0,0]=3 553 B11R0.42 CCCCCCCN(C)C(=O)C 11a_100000228206_100015343762 [0,0,1,0,0,0|3,0,0]=4 554 B11R0.42 CCCCCCCN(C)C(=O)C 1626a_100000228206_100015343762 [0,0,1,0,0,0|3,0,0]=4 555 B11R0.42 CCCCCCCN(C)C(=O)C 240690a_100000228206_100015343762 [0,0,1,0,0,0|3,0,0]=4 556 B11R0.42 CCCCCCCN(C)C(=O)C 527a_100000228206_100103153847 [0,0,1,0,0,0|3,0,0]=4 557 B11R0.42 CCCCCCNC(C)C(=O)C 2230a_100000210581_100009814033 [0,0,1,0,0,0|3,0,0]=4 558 B11R0.42 CCCCCCNC(C)C(=O)N 2230a_100000210581_100000702099 [0,0,1,0,0,0|3,0,0]=4 559 B11R0.42 CCCCCCNC(F)C(=O)N 2230a_100000210581_100009813875 [0,0,1,0,0,0|3,0,0]=4 560 B11R0.42 CCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210757 [0,0,1,0,0,0|2,0,0]=3 561 B11R0.42 CCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210314 [0,0,1,0,0,0|3,0,0]=4 562 B11R0.42 CCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210314 [0,0,1,0,0,0|3,0,0]=4 563 B11R0.42 CCCCCCOC(C)C(=O)C 34a_100000212229_100000210314 [0,0,1,0,0,0|3,0,0]=4 564 B11R0.42 CCCCCCOC(C)C(=O)C 7a_100000210259_100000179758 [0,0,1,0,0,0|3,0,0]=4 565 B11R0.42 CCCCCCOC(C)C(=O)N 34a_100000210259_100000702099 [0,0,1,0,0,0|3,0,0]=4 566 B11R0.42 CCCCCCOC(C)C(=O)N 7a_100000210259_100000702099 [0,0,1,0,0,0|3,0,0]=4 567 B11R0.42 CCCCCCOC(F)C(=O)N 34a_100000210259_100009813875 [0,0,1,0,0,0|3,0,0]=4 568 B11R0.42 CCCCCCOC(F)C(=O)N 7a_100000210259_100009813875 [0,0,1,0,0,0|3,0,0]=4 569 B11R0.42 CCCCCCOC(F)C(=O)[O-] 34a_100000210259_100020610796 [0,0,1,0,0,0|2,0,1]=4 570 B11R0.42 CCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210314 [0,0,1,0,0,0|2,0,1]=4 571 B11R0.42 CCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210314 [0,0,1,0,0,0|3,0,0]=4 572 B11R0.42 CCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210314 [0,0,1,0,0,0|3,0,0]=4 573 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100000210314_100009814033 [0,0,1,0,0,0|3,0,0]=4 574 B11R0.42 CCCCCCSC(C)C(=O)C 62a_100009814033_100000210757 [0,0,1,0,0,0|3,0,0]=4 575 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000210314_100000702099 [0,0,1,0,0,0|3,0,0]=4 576 B11R0.42 CCCCCCSC(C)C(=O)N 62a_100000702099_100000210757 [0,0,1,0,0,0|3,0,0]=4 577 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100000210314_100009813875 [0,0,1,0,0,0|3,0,0]=4 578 B11R0.42 CCCCCCSC(F)C(=O)N 62a_100009813875_100000210757 [0,0,1,0,0,0|3,0,0]=4 579 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100000210314_100020610796 [0,0,1,0,0,0|2,0,1]=4 580 B11R0.42 CCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210757 [0,0,1,0,0,0|2,0,1]=4 581 B11R0.42 CCCCCNCC(C)C(=O)O 269956a_100000749485_100000210326 [0,0,1,0,0,0|2,0,0]=3 582 B11R0.42 CCCCCNCC(F)C(=O)O 269956a_100000084737_100000210326 [0,0,1,0,0,0|2,0,0]=3 583 B11R0.42 CCCCCOCC(C)C(=O)C 34a_100000032740_100000718602 [0,0,1,0,0,0|3,0,0]=4 584 B11R0.42 CCCCCOCC(C)C(=O)C 7a_100000032740_100000210326 [0,0,1,0,0,0|3,0,0]=4 585 B11R0.42 CCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000718602 [0,0,1,0,0,0|2,0,0]=3 586 B11R0.42 CCCCOCN[C@@H](C)C(=O)O 269956a_100000743915_100011995733 [0,0,1,0,0,0|3,0,0]=4 587 B11R0.42 CCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215938 [0,0,1,0,0,0|3,0,0]=4 588 B11R0.42 CCOCCCN[C@@H](C)C(=O)O 269956a_100000743915_100012232248 [0,0,1,0,0,0|3,0,0]=4 589 B11R0.42 CCOCCNCC(C)C(=O)O 269956a_100000749485_100000210147 [0,0,1,0,0,0|3,0,0]=4 590 B11R0.42 CCOCCNCC(F)C(=O)O 269956a_100000084737_100000210147 [0,0,1,0,0,0|3,0,0]=4 591 B11R0.42 CCOCCOC[C@H](N)C(=O)N 34a_100000729942_100000210147 [0,0,1,0,0,0|3,0,0]=4 592 B11R0.42 CCSCCNCC(C)C(=O)O 269956a_100000749485_100000757381 [0,0,1,0,0,0|3,0,0]=4 593 B11R0.42 CCSCCNCC(F)C(=O)O 269956a_100000084737_100000757381 [0,0,1,0,0,0|3,0,0]=4 594 B11R0.42 CCSCCOC[C@H](N)C(=O)N 34a_100000729942_100000757381 [0,0,1,0,0,0|3,0,0]=4 595 B11R0.42 COCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000730899 [0,0,1,0,0,0|3,0,0]=4 596 B11R0.42 COCCCNCC(C)C(=O)O 269956a_100000749485_100000740836 [0,0,1,0,0,0|3,0,0]=4 597 B11R0.42 COCCCNCC(F)C(=O)O 269956a_100000084737_100000740836 [0,0,1,0,0,0|3,0,0]=4 598 B11R0.42 COCCCOC[C@H](N)C(=O)N 34a_100000729942_100000740836 [0,0,1,0,0,0|3,0,0]=4 599 B11R0.42 C[C@H](NCCCCCF)C(=O)O 269956a_100000743915_100000729378 [0,0,1,0,0,0|3,0,0]=4 600 B11R0.42 C[C@H](NCCCCCO)C(=O)O 269956a_100000743915_100000746330 [0,0,1,0,0,0|3,0,0]=4 601 B11R0.42 NC(=O)[C@@H](N)COCCCCF 34a_100000729942_100000729493 [0,0,1,0,0,0|3,0,0]=4 602 B11R0.42 NC(=O)[C@@H](N)COCCCCO 34a_100000729942_100011216708 [0,0,1,0,0,0|3,0,0]=4 603 B11R0.42 O=C(O)C(F)CNCCCCF 269956a_100000084737_100000729493 [0,0,1,0,0,0|3,0,0]=4 604 B11R0.42 O=C(O)C(F)CNCCCCO 269956a_100000084737_100000210776 [0,0,1,0,0,0|3,0,0]=4 605 B11R0.163 CCCCC(C)NC(C)C(=O)C 2230a_100000126638_100009814033 [0,0,1,0,0,0|3,0,0]=4 606 B11R0.163 CCCCC(C)NC(C)C(=O)N 2230a_100000126638_100000702099 [0,0,1,0,0,0|3,0,0]=4 607 B11R0.163 CCCCC(C)NC(F)C(=O)N 2230a_100000126638_100009813875 [0,0,1,0,0,0|3,0,0]=4 608 B11R0.163 CCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011215066 [0,0,1,0,0,0|2,0,0]=3 609 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 2230a_100000119354_200011215066 [0,0,1,0,0,0|3,0,0]=4 610 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100000210087 [0,0,1,0,0,0|3,0,0]=4 611 B11R0.163 CCCCC(C)N[C@H](C)C(=O)N 34a_100000119354_200011215066 [0,0,1,0,0,0|3,0,0]=4 612 B11R0.163 CCCCC(C)OC(C)C(=O)C 34a_100000212229_200011215066 [0,0,1,0,0,0|3,0,0]=4 613 B11R0.163 CCCCC(C)OC(C)C(=O)C 7a_100000687866_100000179758 [0,0,1,0,0,0|3,0,0]=4 614 B11R0.163 CCCCC(C)OC(C)C(=O)N 34a_100000687866_100000702099 [0,0,1,0,0,0|3,0,0]=4 615 B11R0.163 CCCCC(C)OC(C)C(=O)N 7a_100000687866_100000702099 [0,0,1,0,0,0|3,0,0]=4 616 B11R0.163 CCCCC(C)OC(F)C(=O)N 34a_100000687866_100009813875 [0,0,1,0,0,0|3,0,0]=4 617 B11R0.163 CCCCC(C)OC(F)C(=O)N 7a_100000687866_100009813875 [0,0,1,0,0,0|3,0,0]=4 618 B11R0.163 CCCCC(C)OC(F)C(=O)[O-] 34a_100000687866_100020610796 [0,0,1,0,0,0|2,0,1]=4 619 B11R0.163 CCCCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_200011215066 [0,0,1,0,0,0|2,0,1]=4 620 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 34a_100000731257_200011215066 [0,0,1,0,0,0|3,0,0]=4 621 B11R0.163 CCCCC(C)O[C@H](C)C(=O)N 7a_100000731257_200011215066 [0,0,1,0,0,0|3,0,0]=4 622 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_100009814033_200011215066 [0,0,1,0,0,0|3,0,0]=4 623 B11R0.163 CCCCC(C)SC(C)C(=O)C 62a_200011215066_100009814033 [0,0,1,0,0,0|3,0,0]=4 624 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_100000702099_200011215066 [0,0,1,0,0,0|3,0,0]=4 625 B11R0.163 CCCCC(C)SC(C)C(=O)N 62a_200011215066_100000702099 [0,0,1,0,0,0|3,0,0]=4 626 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_100009813875_200011215066 [0,0,1,0,0,0|3,0,0]=4 627 B11R0.163 CCCCC(C)SC(F)C(=O)N 62a_200011215066_100009813875 [0,0,1,0,0,0|3,0,0]=4 628 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_100020610796_200011215066 [0,0,1,0,0,0|2,0,1]=4 629 B11R0.163 CCCCC(C)SC(F)C(=O)[O-] 62a_200011215066_100020610796 [0,0,1,0,0,0|2,0,1]=4 630 B13R2.27 O=C1CCC1NC2CCCCC2 34a_100000182618_100009892977 [0,0,0,1,0,0|3,0,0]=4 631 B13R2.27 O=C1CCC1OC2CCCCC2 34a_100000210231_100009892977 [0,0,0,1,0,0|3,0,0]=4 632 B13R2.27 O=C1CCC1OC2CCCCC2 7a_100000210231_100009892977 [0,0,0,1,0,0|3,0,0]=4 633 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100000210327_100009892977 [0,0,0,1,0,0|3,0,0]=4 634 B13R2.27 O=C1CCC1SC2CCCCC2 62a_100009892977_100000210327 [0,0,0,1,0,0|3,0,0]=4 635 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,1,0,0|3,0,0]=4 636 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,1,0,0|3,0,0]=4 637 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,1,0,0|3,0,0]=4 638 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,1,0,0|3,0,0]=4 639 B13R2.7919 CC(OC1CCC2C1C2)C(=O)N 34a_200012295571_100000702099 [0,0,0,1,0,0|3,0,0]=4 640 B13R2.7919 C[C@@H](NC1CCC2C1C2)C(=O)N 270004a_100000119354_100000692480 [0,0,0,1,0,0|3,0,0]=4 641 B13R2.7919 NC(=O)C(F)OC1CCC2C1C2 34a_200012295571_100009813875 [0,0,0,1,0,0|3,0,0]=4 642 B13R2.7919 O=C([O-])C(F)OC1CCC2C1C2 34a_200012295571_100020610796 [0,0,0,1,0,0|2,0,1]=4 643 B13R2.7921 C[C@@H](NC1CC2CC2C1)C(=O)N 270004a_100000119354_100010340937 [0,0,0,1,0,0|3,0,0]=4 644 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 2230a_100000735658_100009814033 [0,0,0,1,0,0|3,0,0]=4 645 B13R2.7936 CC(=O)C(C)N1C2CCC1CC2 269982a_100000735658_100009814033 [0,0,0,1,0,0|3,0,0]=4 646 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 2230a_100000735658_100000702099 [0,0,0,1,0,0|3,0,0]=4 647 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 269982a_100000735658_100000184083 [0,0,0,1,0,0|3,0,0]=4 648 B13R2.7936 CC(C(=O)N)N1C2CCC1CC2 34a_100000735658_100000702099 [0,0,0,1,0,0|3,0,0]=4 649 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 2230a_100000735658_100009813875 [0,0,0,1,0,0|3,0,0]=4 650 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 269982a_100000735658_100009813875 [0,0,0,1,0,0|3,0,0]=4 651 B13R2.7936 NC(=O)C(F)N1C2CCC1CC2 34a_100000735658_100009813875 [0,0,0,1,0,0|3,0,0]=4 652 B13R2.7936 O=C([O-])C(F)N1C2CCC1CC2 34a_100000735658_100020610796 [0,0,0,1,0,0|2,0,1]=4 653 B11R1.35 CC(=O)C(C)NC1CCCC1 2230a_100000211070_100009814033 [0,0,0,0,1,0|3,0,0]=4 654 B11R1.35 CC(=O)C(C)OC1CCCC1 34a_100000212229_100000179811 [0,0,0,0,1,0|3,0,0]=4 655 B11R1.35 CC(=O)C(C)OC1CCCC1 7a_100000210269_100000179758 [0,0,0,0,1,0|3,0,0]=4 656 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100009814033_100000179811 [0,0,0,0,1,0|3,0,0]=4 657 B11R1.35 CC(=O)C(C)SC1CCCC1 62a_100011217020_100009814033 [0,0,0,0,1,0|3,0,0]=4 658 B11R1.35 CC(NC1CCCC1)C(=O)N 2230a_100000211070_100000702099 [0,0,0,0,1,0|3,0,0]=4 659 B11R1.35 CC(NC1CCCC1)C(=O)N 34a_100000211070_100000702099 [0,0,0,0,1,0|3,0,0]=4 660 B11R1.35 CC(OC1CCCC1)C(=O)N 34a_100000210269_100000702099 [0,0,0,0,1,0|3,0,0]=4 661 B11R1.35 CC(OC1CCCC1)C(=O)N 7a_100000210269_100000702099 [0,0,0,0,1,0|3,0,0]=4 662 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100000702099_100000179811 [0,0,0,0,1,0|3,0,0]=4 663 B11R1.35 CC(SC1CCCC1)C(=O)N 62a_100011217020_100000702099 [0,0,0,0,1,0|3,0,0]=4 664 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 2230a_100000119354_100000179811 [0,0,0,0,1,0|3,0,0]=4 665 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 270004a_100000119354_100000210133 [0,0,0,0,1,0|3,0,0]=4 666 B11R1.35 C[C@@H](NC1CCCC1)C(=O)N 34a_100000119354_100000179811 [0,0,0,0,1,0|3,0,0]=4 667 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 34a_100000731257_100000179811 [0,0,0,0,1,0|3,0,0]=4 668 B11R1.35 C[C@@H](OC1CCCC1)C(=O)N 7a_100000731257_100000179811 [0,0,0,0,1,0|3,0,0]=4 669 B11R1.35 C[C@H](NC1CCCC1)C(=O)O 269956a_100000743915_100000179811 [0,0,0,0,1,0|2,0,0]=3 670 B11R1.35 C[C@H](NC1CCOC1)C(=O)O 269956a_100000743915_100000731011 [0,0,0,0,1,0|3,0,0]=4 671 B11R1.35 C[C@H](OC1CCCC1)C(=O)[O-] 7a_217856618621_100000179811 [0,0,0,0,1,0|2,0,1]=4 672 B11R1.35 NC(=O)C(F)NC1CCCC1 2230a_100000211070_100009813875 [0,0,0,0,1,0|3,0,0]=4 673 B11R1.35 NC(=O)C(F)NC1CCCC1 34a_100000211070_100009813875 [0,0,0,0,1,0|3,0,0]=4 674 B11R1.35 NC(=O)C(F)OC1CCCC1 34a_100000210269_100009813875 [0,0,0,0,1,0|3,0,0]=4 675 B11R1.35 NC(=O)C(F)OC1CCCC1 7a_100000210269_100009813875 [0,0,0,0,1,0|3,0,0]=4 676 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100009813875_100000179811 [0,0,0,0,1,0|3,0,0]=4 677 B11R1.35 NC(=O)C(F)SC1CCCC1 62a_100011217020_100009813875 [0,0,0,0,1,0|3,0,0]=4 678 B11R1.35 O=C([O-])C(F)NC1CCCC1 34a_100000211070_100020610796 [0,0,0,0,1,0|2,0,1]=4 679 B11R1.35 O=C([O-])C(F)OC1CCCC1 34a_100000210269_100020610796 [0,0,0,0,1,0|2,0,1]=4 680 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100011217020_100020610796 [0,0,0,0,1,0|2,0,1]=4 681 B11R1.35 O=C([O-])C(F)SC1CCCC1 62a_100020610796_100000179811 [0,0,0,0,1,0|2,0,1]=4 682 B11R1.36 CC(=O)C(C)C1CCCCC1 1458a_100011435303_200000210301 [0,0,0,0,1,0|2,0,0]=3 683 B11R1.36 CC(=O)C(O)C1CCCCC1 1458a_100000242593_200000210301 [0,0,0,0,1,0|2,0,0]=3 684 B11R1.36 CC(=O)N(C)C1CCCCC1 11a_100000207522_100015343762 [0,0,0,0,1,0|3,0,0]=4 685 B11R1.36 CC(=O)N(C)C1CCCCC1 1626a_100000207522_100015343762 [0,0,0,0,1,0|3,0,0]=4 686 B11R1.36 CC(=O)N(C)C1CCCCC1 240690a_100000207522_100015343762 [0,0,0,0,1,0|3,0,0]=4 687 B11R1.36 CC(=O)N(C)C1CCCCC1 527a_100000207522_100103153847 [0,0,0,0,1,0|3,0,0]=4 688 B11R1.36 CC(C(=O)[13CH3])C1CCCCC1 1458a_100011435303_200025704644 [0,0,0,0,1,0|2,0,0]=3 689 B11R1.36 [13CH3]C(=O)C(O)C1CCCCC1 1458a_100000242593_200025704644 [0,0,0,0,1,0|2,0,0]=3 690 B13R1.348 CC(=O)NC(C)CN1CCCCC1 11a_100000738326_100015343762 [0,0,0,0,0,1|3,0,0]=4 691 B13R1.348 CC(=O)NC(C)CN1CCCCC1 1626a_100000738326_100015343762 [0,0,0,0,0,1|3,0,0]=4 692 B13R1.348 CC(=O)NC(C)CN1CCCCC1 240690a_100000738326_100015343762 [0,0,0,0,0,1|3,0,0]=4 693 B13R1.348 CC(=O)NC(C)CN1CCCCC1 527a_100000738326_100103153847 [0,0,0,0,0,1|3,0,0]=4 694 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100000210327_100009818208 [0,0,0,0,0,1|3,0,0]=4 695 B13R1.348 CC(=O)OC(C)SC1CCCCC1 62a_100009818208_100000210327 [0,0,0,0,0,1|3,0,0]=4 696 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000736448_100000747473 [0,0,0,0,0,1|3,0,0]=4 697 B13R1.348 CN(CC(=O)N)CC1CCCCC1 2230a_100000739694_100000211423 [0,0,0,0,0,1|3,0,0]=4 698 B13R1.348 CN(CC(=O)N)CC1CCCCC1 269982a_100000736448_100000187820 [0,0,0,0,0,1|3,0,0]=4 699 B13R1.348 CN(CC(=O)N)CC1CCCCC1 34a_100000736448_100000187820 [0,0,0,0,0,1|3,0,0]=4 700 B13R1.348 CN(CC(=O)O)CC1CCCCC1 269956a_100000746989_100000211423 [0,0,0,0,0,1|2,0,0]=3 701 B13R1.348 CN(CC(=O)O)CC1CCCCO1 269956a_100000746989_100000211543 [0,0,0,0,0,1|3,0,0]=4 702 B13R1.348 CN(CC(=O)O)CC1CCCOC1 269956a_100000746989_100000741521 [0,0,0,0,0,1|3,0,0]=4 703 B13R1.348 CN(CC(=O)O)CC1CCOCC1 269956a_100000746989_100000754603 [0,0,0,0,0,1|3,0,0]=4 704 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 269982a_100000736448_100020667443 [0,0,0,0,0,1|2,0,1]=4 705 B13R1.348 CN(CC(=O)[O-])CC1CCCCC1 34a_100000736448_100020667443 [0,0,0,0,0,1|2,0,1]=4 706 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000187820 [0,0,0,0,0,1|2,0,1]=4 707 B13R1.348 NC(=O)CC(=O)CC1CCCCC1 1458a_100134613110_100000211423 [0,0,0,0,0,1|2,0,1]=4 708 B13R1.348 O=C([O-])CC(=O)CC1CCCCC1 1458a_100000211666_100020667443 [0,0,0,0,0,1|1,0,2]=4 709 B13R1.351 C=C(C)C(C)NCC1CCCCC1 269862a_100000210473_100011216138 [0,0,0,0,0,1|3,0,0]=4 710 B13R1.351 CC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011261029 [0,0,0,0,0,1|2,0,1]=4 711 B13R1.351 CC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011261029 [0,0,0,0,0,1|2,0,1]=4 712 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011261029 [0,0,0,0,0,1|2,0,1]=4 713 B13R1.351 CC(=O)C(=O)CSC1CCCCC1 62a_100011261029_100000210327 [0,0,0,0,0,1|2,0,1]=4 714 B13R1.351 CC(=O)C(C)COC1CCCCC1 34a_100000032740_100000210327 [0,0,0,0,0,1|2,0,0]=3 715 B13R1.351 CC(=O)C(C)COC1CCCCC1 7a_100000032740_100000210327 [0,0,0,0,0,1|2,0,0]=3 716 B13R1.351 CC(=O)C(C)COC1CCCOC1 34a_100000032740_100000693364 [0,0,0,0,0,1|3,0,0]=4 717 B13R1.351 CC(=O)C(C)COC1CCCOC1 7a_100000032740_100000693364 [0,0,0,0,0,1|3,0,0]=4 718 B13R1.351 CC(=O)C(C)COC1CCOCC1 7a_100000032740_100000686592 [0,0,0,0,0,1|3,0,0]=4 719 B13R1.351 CC(=O)C(C)COC1CCSCC1 34a_100000032740_100000069128 [0,0,0,0,0,1|3,0,0]=4 720 B13R1.351 CC(=O)C(C)COC1CCSCC1 7a_100000032740_100011500858 [0,0,0,0,0,1|3,0,0]=4 721 B13R1.351 CC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100009814033 [0,0,0,0,0,1|2,0,0]=3 722 B13R1.351 CC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100009814033 [0,0,0,0,0,1|3,0,0]=4 723 B13R1.351 CC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100009814033 [0,0,0,0,0,1|3,0,0]=4 724 B13R1.351 CC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100009814033 [0,0,0,0,0,1|3,0,0]=4 725 B13R1.351 CC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100009814033 [0,0,0,0,0,1|3,0,0]=4 726 B13R1.351 CC(=O)C(C)OCC1CCCCC1 34a_100000212229_100000211423 [0,0,0,0,0,1|2,0,0]=3 727 B13R1.351 CC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000179758 [0,0,0,0,0,1|2,0,0]=3 728 B13R1.351 CC(=O)C(C)OCC1CCCCO1 34a_100000212229_100000211543 [0,0,0,0,0,1|3,0,0]=4 729 B13R1.351 CC(=O)C(C)OCC1CCCCO1 7a_100000211370_100000179758 [0,0,0,0,0,1|3,0,0]=4 730 B13R1.351 CC(=O)C(C)OCC1CCCOC1 34a_100000212229_100000741521 [0,0,0,0,0,1|3,0,0]=4 731 B13R1.351 CC(=O)C(C)OCC1CCOCC1 34a_100000212229_100000754603 [0,0,0,0,0,1|3,0,0]=4 732 B13R1.351 CC(=O)C(C)OCC1CCSCC1 7a_100000070558_100000179758 [0,0,0,0,0,1|3,0,0]=4 733 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100000211423_100009814033 [0,0,0,0,0,1|2,0,0]=3 734 B13R1.351 CC(=O)C(C)SCC1CCCCC1 62a_100009814033_100000211423 [0,0,0,0,0,1|2,0,0]=3 735 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100000211543_100009814033 [0,0,0,0,0,1|3,0,0]=4 736 B13R1.351 CC(=O)C(C)SCC1CCCCO1 62a_100009814033_100000211543 [0,0,0,0,0,1|3,0,0]=4 737 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100000741521_100009814033 [0,0,0,0,0,1|3,0,0]=4 738 B13R1.351 CC(=O)C(C)SCC1CCCOC1 62a_100009814033_100000741521 [0,0,0,0,0,1|3,0,0]=4 739 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100000754603_100009814033 [0,0,0,0,0,1|3,0,0]=4 740 B13R1.351 CC(=O)C(C)SCC1CCOCC1 62a_100009814033_100000749018 [0,0,0,0,0,1|3,0,0]=4 741 B13R1.351 CC(C)[C@@H](N)COC1CCCCC1 34a_100011830312_100000210327 [0,0,0,0,0,1|2,0,1]=4 742 B13R1.351 CC(CNC1C=CCCC1)C(=O)O 269956a_100000749485_100000751183 [0,0,0,0,0,1|1,0,2]=4 743 B13R1.351 CC(CNC1CCCCC1)C(=O)O 269956a_100000749485_100000210327 [0,0,0,0,0,1|1,0,0]=2 744 B13R1.351 CC(CNC1CCCOC1)C(=O)O 269956a_100000749485_100000693364 [0,0,0,0,0,1|2,0,0]=3 745 B13R1.351 CC(CNC1CCOCC1)C(=O)O 269956a_100000749485_100011324220 [0,0,0,0,0,1|2,0,0]=3 746 B13R1.351 CC(CNC1CCSCC1)C(=O)O 269956a_100000749485_100000069128 [0,0,0,0,0,1|2,0,0]=3 747 B13R1.351 CC(COC1CCCCC1)[N+](=O)[O-] 34a_100000039676_100000210327 [0,0,0,0,0,1|2,0,1]=4 748 B13R1.351 CC(COC1CCCCC1)[N+](=O)[O-] 7a_100000039676_100000210327 [0,0,0,0,0,1|2,0,1]=4 749 B13R1.351 CC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702099 [0,0,0,0,0,1|2,0,0]=3 750 B13R1.351 CC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702099 [0,0,0,0,0,1|2,0,0]=3 751 B13R1.351 CC(NCC1CCCCO1)C(=O)N 2230a_100000174945_100000702099 [0,0,0,0,0,1|3,0,0]=4 752 B13R1.351 CC(NCC1CCCCO1)C(=O)N 34a_100000174945_100000702099 [0,0,0,0,0,1|3,0,0]=4 753 B13R1.351 CC(NCC1CCCOC1)C(=O)N 2230a_100000720124_100000702099 [0,0,0,0,0,1|3,0,0]=4 754 B13R1.351 CC(NCC1CCCOC1)C(=O)N 34a_100000720124_100000702099 [0,0,0,0,0,1|3,0,0]=4 755 B13R1.351 CC(NCC1CCOCC1)C(=O)N 2230a_100000746373_100000702099 [0,0,0,0,0,1|3,0,0]=4 756 B13R1.351 CC(NCC1CCOCC1)C(=O)N 34a_100000746373_100000702099 [0,0,0,0,0,1|3,0,0]=4 757 B13R1.351 CC(NCC1CCSCC1)C(=O)N 2230a_100015188806_100000702099 [0,0,0,0,0,1|3,0,0]=4 758 B13R1.351 CC(NCC1CCSCC1)C(=O)N 34a_100015188806_100000702099 [0,0,0,0,0,1|3,0,0]=4 759 B13R1.351 CC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702099 [0,0,0,0,0,1|2,0,0]=3 760 B13R1.351 CC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702099 [0,0,0,0,0,1|2,0,0]=3 761 B13R1.351 CC(OCC1CCCCN1)C(=O)N 34a_100000210821_100000702099 [0,0,0,0,0,1|3,0,0]=4 762 B13R1.351 CC(OCC1CCCCO1)C(=O)N 34a_100000211370_100000702099 [0,0,0,0,0,1|3,0,0]=4 763 B13R1.351 CC(OCC1CCCCO1)C(=O)N 7a_100000211370_100000702099 [0,0,0,0,0,1|3,0,0]=4 764 B13R1.351 CC(OCC1CCCNC1)C(=O)N 34a_100000211344_100000702099 [0,0,0,0,0,1|3,0,0]=4 765 B13R1.351 CC(OCC1CCCOC1)C(=O)N 34a_100000741520_100000702099 [0,0,0,0,0,1|3,0,0]=4 766 B13R1.351 CC(OCC1CCNCC1)C(=O)N 34a_100000738675_100000702099 [0,0,0,0,0,1|3,0,0]=4 767 B13R1.351 CC(OCC1CCOCC1)C(=O)N 34a_100000749013_100000702099 [0,0,0,0,0,1|3,0,0]=4 768 B13R1.351 CC(OCC1CCSCC1)C(=O)N 34a_100000070558_100000702099 [0,0,0,0,0,1|3,0,0]=4 769 B13R1.351 CC(OCC1CCSCC1)C(=O)N 7a_100000070558_100000702099 [0,0,0,0,0,1|3,0,0]=4 770 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702099 [0,0,0,0,0,1|2,0,0]=3 771 B13R1.351 CC(SCC1CCCCC1)C(=O)N 62a_100000702099_100000211423 [0,0,0,0,0,1|2,0,0]=3 772 B13R1.351 CC(SCC1CCCCO1)C(=O)N 62a_100000211543_100000702099 [0,0,0,0,0,1|3,0,0]=4 773 B13R1.351 CC(SCC1CCCCO1)C(=O)N 62a_100000702099_100000211543 [0,0,0,0,0,1|3,0,0]=4 774 B13R1.351 CC(SCC1CCCOC1)C(=O)N 62a_100000702099_100000741521 [0,0,0,0,0,1|3,0,0]=4 775 B13R1.351 CC(SCC1CCCOC1)C(=O)N 62a_100000741521_100000702099 [0,0,0,0,0,1|3,0,0]=4 776 B13R1.351 CC(SCC1CCOCC1)C(=O)N 62a_100000702099_100000749018 [0,0,0,0,0,1|3,0,0]=4 777 B13R1.351 CC(SCC1CCOCC1)C(=O)N 62a_100000754603_100000702099 [0,0,0,0,0,1|3,0,0]=4 778 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 2230a_100000119354_100000211423 [0,0,0,0,0,1|2,0,0]=3 779 B13R1.351 C[C@@H](NCC1CCCCC1)C(=O)N 34a_100000119354_100000211423 [0,0,0,0,0,1|2,0,0]=3 780 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 2230a_100000119354_100000211543 [0,0,0,0,0,1|3,0,0]=4 781 B13R1.351 C[C@@H](NCC1CCCCO1)C(=O)N 34a_100000119354_100000211543 [0,0,0,0,0,1|3,0,0]=4 782 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 2230a_100000119354_100000741521 [0,0,0,0,0,1|3,0,0]=4 783 B13R1.351 C[C@@H](NCC1CCCOC1)C(=O)N 34a_100000119354_100000741521 [0,0,0,0,0,1|3,0,0]=4 784 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 2230a_100000119354_100000754603 [0,0,0,0,0,1|3,0,0]=4 785 B13R1.351 C[C@@H](NCC1CCOCC1)C(=O)N 34a_100000119354_100000754603 [0,0,0,0,0,1|3,0,0]=4 786 B13R1.351 C[C@@H](NCC1CCSCC1)C(=O)N 270004a_100000119354_100000067145 [0,0,0,0,0,1|3,0,0]=4 787 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 34a_100000731257_100000211423 [0,0,0,0,0,1|2,0,0]=3 788 B13R1.351 C[C@@H](OCC1CCCCC1)C(=O)N 7a_100000731257_100000211423 [0,0,0,0,0,1|2,0,0]=3 789 B13R1.351 C[C@@H](OCC1CCCCO1)C(=O)N 34a_100000731257_100000211543 [0,0,0,0,0,1|3,0,0]=4 790 B13R1.351 C[C@@H](OCC1CCCCO1)C(=O)N 7a_100000731257_100000211543 [0,0,0,0,0,1|3,0,0]=4 791 B13R1.351 C[C@@H](OCC1CCCOC1)C(=O)N 34a_100000731257_100000741521 [0,0,0,0,0,1|3,0,0]=4 792 B13R1.351 C[C@@H](OCC1CCCOC1)C(=O)N 7a_100000731257_100000741521 [0,0,0,0,0,1|3,0,0]=4 793 B13R1.351 C[C@@H](OCC1CCOCC1)C(=O)N 34a_100000731257_100000754603 [0,0,0,0,0,1|3,0,0]=4 794 B13R1.351 C[C@@H](OCC1CCOCC1)C(=O)N 7a_100000731257_100000754603 [0,0,0,0,0,1|3,0,0]=4 795 B13R1.351 C[C@H](NCC1CCCCC1)C(=O)O 269956a_100000743915_100000211423 [0,0,0,0,0,1|1,0,0]=2 796 B13R1.351 C[C@H](NCC1CCCCO1)C(=O)O 269956a_100000743915_100000211543 [0,0,0,0,0,1|2,0,0]=3 797 B13R1.351 C[C@H](NCC1CCCOC1)C(=O)O 269956a_100000743915_100000741521 [0,0,0,0,0,1|2,0,0]=3 798 B13R1.351 C[C@H](NCC1CCOCC1)C(=O)O 269956a_100000743915_100000754603 [0,0,0,0,0,1|2,0,0]=3 799 B13R1.351 C[C@H](OCC1CCCCC1)C(=O)[O-] 7a_217856618621_100000211423 [0,0,0,0,0,1|1,0,1]=3 800 B13R1.351 C[C@H](OCC1CCCCO1)C(=O)[O-] 7a_217856618621_100000211543 [0,0,0,0,0,1|2,0,1]=4 801 B13R1.351 C[C@H](OCC1CCCOC1)C(=O)[O-] 7a_217856618621_100000741521 [0,0,0,0,0,1|2,0,1]=4 802 B13R1.351 C[C@H](OCC1CCOCC1)C(=O)[O-] 7a_217856618621_100000754603 [0,0,0,0,0,1|2,0,1]=4 803 B13R1.351 NC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100011215815 [0,0,0,0,0,1|2,0,1]=4 804 B13R1.351 NC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813875 [0,0,0,0,0,1|2,0,0]=3 805 B13R1.351 NC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813875 [0,0,0,0,0,1|2,0,0]=3 806 B13R1.351 NC(=O)C(F)NCC1CCCCO1 2230a_100000174945_100009813875 [0,0,0,0,0,1|3,0,0]=4 807 B13R1.351 NC(=O)C(F)NCC1CCCCO1 34a_100000174945_100009813875 [0,0,0,0,0,1|3,0,0]=4 808 B13R1.351 NC(=O)C(F)NCC1CCCOC1 2230a_100000720124_100009813875 [0,0,0,0,0,1|3,0,0]=4 809 B13R1.351 NC(=O)C(F)NCC1CCCOC1 34a_100000720124_100009813875 [0,0,0,0,0,1|3,0,0]=4 810 B13R1.351 NC(=O)C(F)NCC1CCOCC1 2230a_100000746373_100009813875 [0,0,0,0,0,1|3,0,0]=4 811 B13R1.351 NC(=O)C(F)NCC1CCOCC1 34a_100000746373_100009813875 [0,0,0,0,0,1|3,0,0]=4 812 B13R1.351 NC(=O)C(F)NCC1CCSCC1 2230a_100015188806_100009813875 [0,0,0,0,0,1|3,0,0]=4 813 B13R1.351 NC(=O)C(F)NCC1CCSCC1 34a_100015188806_100009813875 [0,0,0,0,0,1|3,0,0]=4 814 B13R1.351 NC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813875 [0,0,0,0,0,1|2,0,0]=3 815 B13R1.351 NC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813875 [0,0,0,0,0,1|2,0,0]=3 816 B13R1.351 NC(=O)C(F)OCC1CCCCN1 34a_100000210821_100009813875 [0,0,0,0,0,1|3,0,0]=4 817 B13R1.351 NC(=O)C(F)OCC1CCCCO1 34a_100000211370_100009813875 [0,0,0,0,0,1|3,0,0]=4 818 B13R1.351 NC(=O)C(F)OCC1CCCCO1 7a_100000211370_100009813875 [0,0,0,0,0,1|3,0,0]=4 819 B13R1.351 NC(=O)C(F)OCC1CCCNC1 34a_100000211344_100009813875 [0,0,0,0,0,1|3,0,0]=4 820 B13R1.351 NC(=O)C(F)OCC1CCCOC1 34a_100000741520_100009813875 [0,0,0,0,0,1|3,0,0]=4 821 B13R1.351 NC(=O)C(F)OCC1CCNCC1 34a_100000738675_100009813875 [0,0,0,0,0,1|3,0,0]=4 822 B13R1.351 NC(=O)C(F)OCC1CCOCC1 34a_100000749013_100009813875 [0,0,0,0,0,1|3,0,0]=4 823 B13R1.351 NC(=O)C(F)OCC1CCSCC1 34a_100000070558_100009813875 [0,0,0,0,0,1|3,0,0]=4 824 B13R1.351 NC(=O)C(F)OCC1CCSCC1 7a_100000070558_100009813875 [0,0,0,0,0,1|3,0,0]=4 825 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813875 [0,0,0,0,0,1|2,0,0]=3 826 B13R1.351 NC(=O)C(F)SCC1CCCCC1 62a_100009813875_100000211423 [0,0,0,0,0,1|2,0,0]=3 827 B13R1.351 NC(=O)C(F)SCC1CCCCO1 62a_100000211543_100009813875 [0,0,0,0,0,1|3,0,0]=4 828 B13R1.351 NC(=O)C(F)SCC1CCCCO1 62a_100009813875_100000211543 [0,0,0,0,0,1|3,0,0]=4 829 B13R1.351 NC(=O)C(F)SCC1CCCOC1 62a_100000741521_100009813875 [0,0,0,0,0,1|3,0,0]=4 830 B13R1.351 NC(=O)C(F)SCC1CCCOC1 62a_100009813875_100000741521 [0,0,0,0,0,1|3,0,0]=4 831 B13R1.351 NC(=O)C(F)SCC1CCOCC1 62a_100000754603_100009813875 [0,0,0,0,0,1|3,0,0]=4 832 B13R1.351 NC(=O)C(F)SCC1CCOCC1 62a_100009813875_100000749018 [0,0,0,0,0,1|3,0,0]=4 833 B13R1.351 NC(=O)[C@@H](N)COC1CCCCC1 34a_100000729942_100000210327 [0,0,0,0,0,1|1,0,0]=2 834 B13R1.351 NC(=O)[C@@H](N)COC1CCCOC1 34a_100000729942_100000693364 [0,0,0,0,0,1|2,0,0]=3 835 B13R1.351 NC(=O)[C@@H](N)COC1CCSCC1 34a_100000729942_100000069128 [0,0,0,0,0,1|2,0,0]=3 836 B13R1.351 O=C(O)C(F)CNC1C=CCCC1 269956a_100000084737_100000751183 [0,0,0,0,0,1|1,0,2]=4 837 B13R1.351 O=C(O)C(F)CNC1CCCCC1 269956a_100000084737_100000210327 [0,0,0,0,0,1|1,0,0]=2 838 B13R1.351 O=C(O)C(F)CNC1CCCOC1 269956a_100000084737_100000693364 [0,0,0,0,0,1|2,0,0]=3 839 B13R1.351 O=C(O)C(F)CNC1CCOCC1 269956a_100000084737_100011324220 [0,0,0,0,0,1|2,0,0]=3 840 B13R1.351 O=C(O)C(F)CNC1CCSCC1 269956a_100000084737_100000069128 [0,0,0,0,0,1|2,0,0]=3 841 B13R1.351 O=C([O-])C(F)NCC1CCCCC1 34a_100000210473_100020610796 [0,0,0,0,0,1|1,0,1]=3 842 B13R1.351 O=C([O-])C(F)NCC1CCCCO1 34a_100000174945_100020610796 [0,0,0,0,0,1|2,0,1]=4 843 B13R1.351 O=C([O-])C(F)NCC1CCCOC1 34a_100000720124_100020610796 [0,0,0,0,0,1|2,0,1]=4 844 B13R1.351 O=C([O-])C(F)NCC1CCOCC1 34a_100000746373_100020610796 [0,0,0,0,0,1|2,0,1]=4 845 B13R1.351 O=C([O-])C(F)NCC1CCSCC1 34a_100015188806_100020610796 [0,0,0,0,0,1|2,0,1]=4 846 B13R1.351 O=C([O-])C(F)OCC1CCCCC1 34a_100000212181_100020610796 [0,0,0,0,0,1|1,0,1]=3 847 B13R1.351 O=C([O-])C(F)OCC1CCCCN1 34a_100000210821_100020610796 [0,0,0,0,0,1|2,0,1]=4 848 B13R1.351 O=C([O-])C(F)OCC1CCCCO1 34a_100000211370_100020610796 [0,0,0,0,0,1|2,0,1]=4 849 B13R1.351 O=C([O-])C(F)OCC1CCCNC1 34a_100000211344_100020610796 [0,0,0,0,0,1|2,0,1]=4 850 B13R1.351 O=C([O-])C(F)OCC1CCCOC1 34a_100000741520_100020610796 [0,0,0,0,0,1|2,0,1]=4 851 B13R1.351 O=C([O-])C(F)OCC1CCNCC1 34a_100000738675_100020610796 [0,0,0,0,0,1|2,0,1]=4 852 B13R1.351 O=C([O-])C(F)OCC1CCOCC1 34a_100000749013_100020610796 [0,0,0,0,0,1|2,0,1]=4 853 B13R1.351 O=C([O-])C(F)OCC1CCSCC1 34a_100000070558_100020610796 [0,0,0,0,0,1|2,0,1]=4 854 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100000211423_100020610796 [0,0,0,0,0,1|1,0,1]=3 855 B13R1.351 O=C([O-])C(F)SCC1CCCCC1 62a_100020610796_100000211423 [0,0,0,0,0,1|1,0,1]=3 856 B13R1.351 O=C([O-])C(F)SCC1CCCCO1 62a_100000211543_100020610796 [0,0,0,0,0,1|2,0,1]=4 857 B13R1.351 O=C([O-])C(F)SCC1CCCCO1 62a_100020610796_100000211543 [0,0,0,0,0,1|2,0,1]=4 858 B13R1.351 O=C([O-])C(F)SCC1CCCOC1 62a_100000741521_100020610796 [0,0,0,0,0,1|2,0,1]=4 859 B13R1.351 O=C([O-])C(F)SCC1CCCOC1 62a_100020610796_100000741521 [0,0,0,0,0,1|2,0,1]=4 860 B13R1.351 O=C([O-])C(F)SCC1CCOCC1 62a_100000754603_100020610796 [0,0,0,0,0,1|2,0,1]=4 861 B13R1.351 O=C([O-])C(F)SCC1CCOCC1 62a_100020610796_100000749018 [0,0,0,0,0,1|2,0,1]=4 862 B13R1.6192 CC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100009814033 [0,0,0,0,0,1|3,0,0]=4 863 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 34a_100000212229_100011217769 [0,0,0,0,0,1|3,0,0]=4 864 B13R1.6192 CC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000179758 [0,0,0,0,0,1|3,0,0]=4 865 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100009814033_100011217769 [0,0,0,0,0,1|3,0,0]=4 866 B13R1.6192 CC(=O)C(C)SC1CCCCCC1 62a_100011217769_100009814033 [0,0,0,0,0,1|3,0,0]=4 867 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 2230a_100000210984_100000702099 [0,0,0,0,0,1|3,0,0]=4 868 B13R1.6192 CC(NC1CCCCCC1)C(=O)N 34a_100000210984_100000702099 [0,0,0,0,0,1|3,0,0]=4 869 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 34a_100000210887_100000702099 [0,0,0,0,0,1|3,0,0]=4 870 B13R1.6192 CC(OC1CCCCCC1)C(=O)N 7a_100000210887_100000702099 [0,0,0,0,0,1|3,0,0]=4 871 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100000702099_100011217769 [0,0,0,0,0,1|3,0,0]=4 872 B13R1.6192 CC(SC1CCCCCC1)C(=O)N 62a_100011217769_100000702099 [0,0,0,0,0,1|3,0,0]=4 873 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 270004a_100000119354_100000210131 [0,0,0,0,0,1|3,0,0]=4 874 B13R1.6192 C[C@@H](NC1CCCCCC1)C(=O)N 34a_100000119354_100011217769 [0,0,0,0,0,1|3,0,0]=4 875 B13R1.6192 C[C@@H](NC1CCCNCC1)C(=O)N 270004a_100000119354_100015187895 [0,0,0,0,0,1|3,0,0]=4 876 B13R1.6192 C[C@@H](OC1CCCCCC1)C(=O)N 34a_100000731257_100011217769 [0,0,0,0,0,1|3,0,0]=4 877 B13R1.6192 C[C@H](NC1CCCCCC1)C(=O)O 269956a_100000743915_100011217769 [0,0,0,0,0,1|2,0,0]=3 878 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 2230a_100000210984_100009813875 [0,0,0,0,0,1|3,0,0]=4 879 B13R1.6192 NC(=O)C(F)NC1CCCCCC1 34a_100000210984_100009813875 [0,0,0,0,0,1|3,0,0]=4 880 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 34a_100000210887_100009813875 [0,0,0,0,0,1|3,0,0]=4 881 B13R1.6192 NC(=O)C(F)OC1CCCCCC1 7a_100000210887_100009813875 [0,0,0,0,0,1|3,0,0]=4 882 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100009813875_100011217769 [0,0,0,0,0,1|3,0,0]=4 883 B13R1.6192 NC(=O)C(F)SC1CCCCCC1 62a_100011217769_100009813875 [0,0,0,0,0,1|3,0,0]=4 884 B13R1.6192 O=C([O-])C(F)NC1CCCCCC1 34a_100000210984_100020610796 [0,0,0,0,0,1|2,0,1]=4 885 B13R1.6192 O=C([O-])C(F)OC1CCCCCC1 34a_100000210887_100020610796 [0,0,0,0,0,1|2,0,1]=4 886 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100011217769_100020610796 [0,0,0,0,0,1|2,0,1]=4 887 B13R1.6192 O=C([O-])C(F)SC1CCCCCC1 62a_100020610796_100011217769 [0,0,0,0,0,1|2,0,1]=4 888 B10R0.26 CCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000766640 [1,0,1,0,0,0|2,0,0]=4 889 B10R0.27 CCCC(CC)NCC(=O)N 2230a_100000747048_100000747473 [1,0,1,0,0,0|2,0,0]=4 890 B10R0.27 CCCC(CC)NCC(=O)O 269956a_100016091260_100011219200 [1,0,1,0,0,0|1,0,0]=3 891 B10R0.27 CCCC(CC)OCC(=O)N 34a_100000687864_100000187820 [1,0,1,0,0,0|2,0,0]=4 892 B10R0.27 CCCC(CC)OCC(=O)N 7a_100000687864_100000187820 [1,0,1,0,0,0|2,0,0]=4 893 B10R0.27 CCCC(CC)OCC(=O)[O-] 34a_100000687864_100020667443 [1,0,1,0,0,0|1,0,1]=4 894 B10R0.27 CCCC(CC)SCC(=O)N 62a_100000747473_100011219200 [1,0,1,0,0,0|2,0,0]=4 895 B10R0.27 CCCC(CC)SCC(=O)N 62a_100011219200_100000747473 [1,0,1,0,0,0|2,0,0]=4 896 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100011219200_100020667443 [1,0,1,0,0,0|1,0,1]=4 897 B10R0.27 CCCC(CC)SCC(=O)[O-] 62a_100020667443_100011219200 [1,0,1,0,0,0|1,0,1]=4 898 B10R0.27 CCCN(CC)CCC(=O)C 269982a_100000226822_100000053229 [1,0,1,0,0,0|2,0,0]=4 899 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100000226822_100000744528 [1,0,1,0,0,0|2,0,0]=4 900 B10R0.27 CCCN(CC)CCC(=O)N 2230a_100020645749_100000210303 [1,0,1,0,0,0|2,0,0]=4 901 B10R0.27 CCCN(CC)CCC(=O)N 269982a_100000226822_100000744528 [1,0,1,0,0,0|2,0,0]=4 902 B10R0.72 CCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_100000210505 [1,0,1,0,0,0|2,0,0]=4 903 B10R0.4 CC(=O)CCCCCCCO 1458a_100000070787_100000760002 [1,0,1,0,0,0|2,0,0]=4 904 B10R0.4 CC(=O)CCCCCCCO 1458a_100011219782_200000210301 [1,0,1,0,0,0|2,0,0]=4 905 B10R0.4 CCCCCCCCC(=O)C 1458a_100000070787_100000210759 [1,0,1,0,0,0|1,0,0]=3 906 B10R0.4 CCCCCCCCC(=O)C 1458a_100000210188_200000210301 [1,0,1,0,0,0|1,0,0]=3 907 B10R0.4 CCCCCCCCC(=O)[13CH3] 1458a_100000210188_200025704644 [1,0,1,0,0,0|1,0,0]=3 908 B10R0.4 CCCCCCCNC(=O)C 11a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 909 B10R0.4 CCCCCCCNC(=O)C 1626a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 910 B10R0.4 CCCCCCCNC(=O)C 240690a_100000229938_100015343762 [1,0,1,0,0,0|2,0,0]=4 911 B10R0.4 CCCCCCCNC(=O)C 527a_100000229938_100103153847 [1,0,1,0,0,0|2,0,0]=4 912 B10R0.4 CCCCCCNCC(=O)N 2230a_100000210581_100000747473 [1,0,1,0,0,0|2,0,0]=4 913 B10R0.4 CCCCCCNCC(=O)N 2230a_100000711301_100000210314 [1,0,1,0,0,0|2,0,0]=4 914 B10R0.4 CCCCCCNCC(=O)O 269956a_100016091260_100000210757 [1,0,1,0,0,0|1,0,0]=3 915 B10R0.4 CCCCCCOCC(=O)C 34a_100000211253_100000210314 [1,0,1,0,0,0|2,0,0]=4 916 B10R0.4 CCCCCCOCC(=O)N 34a_100000210259_100000187820 [1,0,1,0,0,0|2,0,0]=4 917 B10R0.4 CCCCCCOCC(=O)N 7a_100000210259_100000187820 [1,0,1,0,0,0|2,0,0]=4 918 B10R0.4 CCCCCCOCC(=O)[O-] 34a_100000210259_100020667443 [1,0,1,0,0,0|1,0,1]=4 919 B10R0.4 CCCCCCSCC(=O)N 62a_100000210314_100000747473 [1,0,1,0,0,0|2,0,0]=4 920 B10R0.4 CCCCCCSCC(=O)N 62a_100000747473_100000210757 [1,0,1,0,0,0|2,0,0]=4 921 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100000210314_100020667443 [1,0,1,0,0,0|1,0,1]=4 922 B10R0.4 CCCCCCSCC(=O)[O-] 62a_100020667443_100000210757 [1,0,1,0,0,0|1,0,1]=4 923 B10R0.4 CCCCCNCCC(=O)N 2230a_100000209983_100000744528 [1,0,1,0,0,0|2,0,0]=4 924 B10R0.4 CCCCCNOCC(=O)O 269956a_100000106656_100000210326 [1,0,1,0,0,0|2,0,0]=4 925 B10R0.4 CCCCCOCCC(=O)C 34a_100000759926_100000718602 [1,0,1,0,0,0|2,0,0]=4 926 B10R0.4 CCCCCOCCC(=O)C 7a_100000210253_100000053229 [1,0,1,0,0,0|2,0,0]=4 927 B10R0.4 CCCCCOCCC(=O)C 7a_100000759926_100000210326 [1,0,1,0,0,0|2,0,0]=4 928 B10R0.4 CCCCCOCCC(=O)N 34a_100000210253_100000731001 [1,0,1,0,0,0|2,0,0]=4 929 B10R0.4 CCCCCOCCC(=O)N 34a_100000757172_100000718602 [1,0,1,0,0,0|2,0,0]=4 930 B10R0.4 CCCCCOCCC(=O)N 7a_100000210253_100000744528 [1,0,1,0,0,0|2,0,0]=4 931 B10R0.4 CCCCCOCCC(=O)N 7a_100000757172_100000210326 [1,0,1,0,0,0|2,0,0]=4 932 B10R0.4 CCCCCSCCC(=O)C 62a_100000053229_100000210326 [1,0,1,0,0,0|2,0,0]=4 933 B10R0.4 CCCCCSCCC(=O)C 62a_100000210326_100000053229 [1,0,1,0,0,0|2,0,0]=4 934 B10R0.4 CCCCCSCCC(=O)N 62a_100000210326_100000744528 [1,0,1,0,0,0|2,0,0]=4 935 B10R0.4 CCCCCSCCC(=O)N 62a_100000744528_100000210326 [1,0,1,0,0,0|2,0,0]=4 936 B10R0.4 CCCCNCCCC(=O)C 7a_106832991798_100011215641 [1,0,1,0,0,0|2,0,0]=4 937 B10R0.4 CCCCNCCCC(=O)N 34a_100000739312_100000210210 [1,0,1,0,0,0|2,0,0]=4 938 B10R0.4 CCCCNCCCC(=O)N 7a_106832991798_100102525003 [1,0,1,0,0,0|2,0,0]=4 939 B10R0.4 CCCCOCCCC(=O)C 34a_100000210227_100000685027 [1,0,1,0,0,0|2,0,0]=4 940 B10R0.4 CCCCOCCCC(=O)C 34a_100000759063_100000210210 [1,0,1,0,0,0|2,0,0]=4 941 B10R0.4 CCCCOCCCC(=O)C 7a_100000210227_100011215641 [1,0,1,0,0,0|2,0,0]=4 942 B10R0.4 CCCCOCCCC(=O)C 7a_100000759063_100000210211 [1,0,1,0,0,0|2,0,0]=4 943 B10R0.4 CCCCOCCCC(=O)N 34a_100000210227_100102525003 [1,0,1,0,0,0|2,0,0]=4 944 B10R0.4 CCCCOCCCC(=O)N 7a_100000210227_100102525003 [1,0,1,0,0,0|2,0,0]=4 945 B10R0.4 CCCCOCNCC(=O)O 269956a_100016091260_100011995733 [1,0,1,0,0,0|2,0,0]=4 946 B10R0.4 CCCCSCCCC(=O)C 62a_100000210211_100011215641 [1,0,1,0,0,0|2,0,0]=4 947 B10R0.4 CCCCSCCCC(=O)C 62a_100011215641_100000210210 [1,0,1,0,0,0|2,0,0]=4 948 B10R0.4 CCCCSCCCC(=O)N 62a_100000210211_100102525003 [1,0,1,0,0,0|2,0,0]=4 949 B10R0.4 CCCCSCCCC(=O)N 62a_100102525003_100000210210 [1,0,1,0,0,0|2,0,0]=4 950 B10R0.4 CCCNCCCCC(=O)N 34a_100000696515_100000210303 [1,0,1,0,0,0|2,0,0]=4 951 B10R0.4 CCCNCCOCC(=O)O 269956a_100000700818_100000210207 [1,0,1,0,0,0|2,0,0]=4 952 B10R0.4 CCCOCCCCC(=O)C 34a_100000210258_100009817362 [1,0,1,0,0,0|2,0,0]=4 953 B10R0.4 CCCOCCCCC(=O)N 34a_100012022536_100000210303 [1,0,1,0,0,0|2,0,0]=4 954 B10R0.4 CCCOCCCCC(=O)N 7a_100012022536_100000210303 [1,0,1,0,0,0|2,0,0]=4 955 B10R0.4 CCCOCCNCC(=O)O 269956a_100016091260_100011215938 [1,0,1,0,0,0|2,0,0]=4 956 B10R0.4 CCCSCCCCC(=O)C 62a_100000210303_100000735457 [1,0,1,0,0,0|2,0,0]=4 957 B10R0.4 CCCSCCCCC(=O)C 62a_100000735457_100000210303 [1,0,1,0,0,0|2,0,0]=4 958 B10R0.4 CCNCCCCCC(=O)N 2230a_100015525214_100009817443 [1,0,1,0,0,0|2,0,0]=4 959 B10R0.4 CCOCCCCCC(=O)N 34a_100000123541_100000210202 [1,0,1,0,0,0|2,0,0]=4 960 B10R0.4 CCOCCCCCC(=O)N 34a_100121572206_100009817443 [1,0,1,0,0,0|2,0,0]=4 961 B10R0.4 CCOCCCCCC(=O)N 7a_100000123541_100000210202 [1,0,1,0,0,0|2,0,0]=4 962 B10R0.4 CCOCCCCCC(=O)[O-] 7a_100102619762_100000210202 [1,0,1,0,0,0|1,0,1]=4 963 B10R0.4 CCOCCCNCC(=O)O 269956a_100016091260_100012232248 [1,0,1,0,0,0|2,0,0]=4 964 B10R0.4 CCSCCCCCC(=O)N 62a_100000210202_100009817443 [1,0,1,0,0,0|2,0,0]=4 965 B10R0.4 CCSCCCCCC(=O)N 62a_100009817443_100000210202 [1,0,1,0,0,0|2,0,0]=4 966 B10R0.4 COCCCCCCC(=O)C 1458a_100000070787_100011998445 [1,0,1,0,0,0|2,0,0]=4 967 B10R0.4 COCCCCNCC(=O)O 269956a_100016091260_100000730899 [1,0,1,0,0,0|2,0,0]=4 968 B10R0.4 O=C(O)CNCCCCCF 269956a_100016091260_100000729378 [1,0,1,0,0,0|2,0,0]=4 969 B10R0.4 O=C(O)CNCCCCCO 269956a_100016091260_100000746330 [1,0,1,0,0,0|2,0,0]=4 970 B10R0.4 [13CH3]C(=O)CCCCCCCO 1458a_100011219782_200025704644 [1,0,1,0,0,0|2,0,0]=4 971 B10R0.74 C=C[C@H](N)COCCCCC 34a_100016989147_100000718602 [1,0,1,0,0,0|2,0,0]=4 972 B10R0.75 CCCCCCC(C)C(=O)C 1458a_100000070787_100011215978 [1,0,1,0,0,0|2,0,0]=4 973 B10R0.75 CCCCCCC(O)C(=O)C 1458a_100011215828_200000210301 [1,0,1,0,0,0|2,0,0]=4 974 B10R0.75 CCCCCCC(O)C(=O)[13CH3] 1458a_100011215828_200025704644 [1,0,1,0,0,0|2,0,0]=4 975 B10R0.75 CCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210326 [1,0,1,0,0,0|2,0,0]=4 976 B10R0.75 CCCCNCC(C)C(=O)O 269956a_100000749485_100000210211 [1,0,1,0,0,0|2,0,0]=4 977 B10R0.75 CCCCNCC(F)C(=O)O 269956a_100000084737_100000210211 [1,0,1,0,0,0|2,0,0]=4 978 B10R0.75 CCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210210 [1,0,1,0,0,0|2,0,0]=4 979 B10R0.78 CCCCC(C)CCC(=O)C 1458a_100000033779_200000210301 [1,0,1,0,0,0|1,0,0]=3 980 B10R0.78 CCCCC(C)CCC(=O)[13CH3] 1458a_100000033779_200025704644 [1,0,1,0,0,0|1,0,0]=3 981 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000126638_100000747473 [1,0,1,0,0,0|2,0,0]=4 982 B10R0.78 CCCCC(C)NCC(=O)N 2230a_100000711301_200011215066 [1,0,1,0,0,0|2,0,0]=4 983 B10R0.78 CCCCC(C)NCC(=O)O 269956a_100016091260_200011215066 [1,0,1,0,0,0|1,0,0]=3 984 B10R0.78 CCCCC(C)OCC(=O)C 34a_100000211253_200011215066 [1,0,1,0,0,0|2,0,0]=4 985 B10R0.78 CCCCC(C)OCC(=O)N 34a_100000687866_100000187820 [1,0,1,0,0,0|2,0,0]=4 986 B10R0.78 CCCCC(C)OCC(=O)N 7a_100000687866_100000187820 [1,0,1,0,0,0|2,0,0]=4 987 B10R0.78 CCCCC(C)OCC(=O)[O-] 34a_100000687866_100020667443 [1,0,1,0,0,0|1,0,1]=4 988 B10R0.78 CCCCC(C)SCC(=O)N 62a_100000747473_200011215066 [1,0,1,0,0,0|2,0,0]=4 989 B10R0.78 CCCCC(C)SCC(=O)N 62a_200011215066_100000747473 [1,0,1,0,0,0|2,0,0]=4 990 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_100020667443_200011215066 [1,0,1,0,0,0|1,0,1]=4 991 B10R0.78 CCCCC(C)SCC(=O)[O-] 62a_200011215066_100020667443 [1,0,1,0,0,0|1,0,1]=4 992 B10R0.78 CCCCN(C)CCC(=O)C 269982a_100000207549_100000053229 [1,0,1,0,0,0|2,0,0]=4 993 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000207549_100000744528 [1,0,1,0,0,0|2,0,0]=4 994 B10R0.78 CCCCN(C)CCC(=O)N 2230a_100000730477_100000210211 [1,0,1,0,0,0|2,0,0]=4 995 B10R0.78 CCCCN(C)CCC(=O)N 269982a_100000207549_100000744528 [1,0,1,0,0,0|2,0,0]=4 996 B10R1.17 C=CCNC1CCCCC1 2230a_100000182618_100000210623 [2,0,0,0,0,0|2,0,0]=4 997 B10R1.17 C=CCNC1CCCCC1 270004a_100020586998_100000210434 [2,0,0,0,0,0|2,0,0]=4 998 B10R1.17 C=CCNC1CCCCC1 34a_100000182618_100015514636 [2,0,0,0,0,0|2,0,0]=4 999 B10R1.17 C=CCOC1CCCCC1 34a_100000210231_100015514636 [2,0,0,0,0,0|2,0,0]=4 1000 B10R1.17 C=CCOC1CCCCC1 34a_200000210373_100000210327 [2,0,0,0,0,0|2,0,0]=4 1001 B10R1.17 C=CCOC1CCCCC1 7a_100000210231_100015514636 [2,0,0,0,0,0|2,0,0]=4 1002 B10R1.17 C=CCSC1CCCCC1 62a_100000210327_100000210623 [2,0,0,0,0,0|2,0,0]=4 1003 B10R1.17 C=CCSC1CCCCC1 62a_100000210623_100000210327 [2,0,0,0,0,0|2,0,0]=4 1004 B10R1.17 CNCCC1CCCCC1 2230a_100000738074_200000210301 [2,0,0,0,0,0|2,0,0]=4 1005 B10R1.17 CNCCC1CCCCC1 2230a_106832991635_100012355289 [2,0,0,0,0,0|2,0,0]=4 1006 B10R1.17 CNCCC1CCCCC1 270004a_106832991635_100011713444 [2,0,0,0,0,0|2,0,0]=4 1007 B10R1.17 CNCCC1CCCCC1 34a_100000738074_200000210301 [2,0,0,0,0,0|2,0,0]=4 1008 B10R1.17 CNCCC1CCCCC1 34a_100102657272_100011209188 [2,0,0,0,0,0|2,0,0]=4 1009 B10R1.17 CNCCC1CCCCC1 7a_106832991635_100011273959 [2,0,0,0,0,0|2,0,0]=4 1010 B10R1.17 COCCC1CCCCC1 34a_100011217863_200000210301 [2,0,0,0,0,0|2,0,0]=4 1011 B10R1.17 COCCC1CCCCC1 34a_100138415774_100011209188 [2,0,0,0,0,0|2,0,0]=4 1012 B10R1.17 COCCC1CCCCC1 7a_100011217863_200000210301 [2,0,0,0,0,0|2,0,0]=4 1013 B10R1.17 CSCCC1CCCCC1 62a_100012355289_200000210301 [2,0,0,0,0,0|2,0,0]=4 1014 B10R1.17 CSCCC1CCCCC1 62a_200000210301_100012355289 [2,0,0,0,0,0|2,0,0]=4 1015 B10R1.17 O=CCNC1CCCCC1 2230a_100000182618_200015260668 [2,0,0,0,0,0|1,0,0]=3 1016 B10R1.17 O=CCNC1CCCCC1 34a_100000182618_200009817547 [2,0,0,0,0,0|1,0,0]=3 1017 B10R1.17 O=CCNC1CCCOC1 2230a_100000719290_200015260668 [2,0,0,0,0,0|2,0,0]=4 1018 B10R1.17 O=CCNC1CCCOC1 34a_100000719290_200009817547 [2,0,0,0,0,0|2,0,0]=4 1019 B10R1.17 O=CCNC1CCOCC1 2230a_100000741149_200015260668 [2,0,0,0,0,0|2,0,0]=4 1020 B10R1.17 O=CCNC1CCOCC1 34a_100000741149_200009817547 [2,0,0,0,0,0|2,0,0]=4 1021 B10R1.17 O=CCNC1CCSCC1 2230a_100000748639_200015260668 [2,0,0,0,0,0|2,0,0]=4 1022 B10R1.17 O=CCNC1CCSCC1 34a_100000748639_200009817547 [2,0,0,0,0,0|2,0,0]=4 1023 B10R1.17 O=CCOC1CCCCC1 34a_100000210231_200009817547 [2,0,0,0,0,0|1,0,0]=3 1024 B10R1.17 O=CCOC1CCCCC1 7a_100000210231_200015260668 [2,0,0,0,0,0|1,0,0]=3 1025 B10R1.17 O=CCOC1CCCCO1 34a_100000033831_200009817547 [2,0,0,0,0,0|2,0,0]=4 1026 B10R1.17 O=CCOC1CCCOC1 34a_100000754041_200009817547 [2,0,0,0,0,0|2,0,0]=4 1027 B10R1.17 O=CCOC1CCCSC1 7a_100015962668_200015260668 [2,0,0,0,0,0|2,0,0]=4 1028 B10R1.17 O=CCOC1CCOCC1 34a_100000744328_200009817547 [2,0,0,0,0,0|2,0,0]=4 1029 B10R1.17 O=CCOC1CCSCC1 34a_100000731022_200009817547 [2,0,0,0,0,0|2,0,0]=4 1030 B10R1.17 O=CCOC1CCSCC1 7a_100000731022_200015260668 [2,0,0,0,0,0|2,0,0]=4 1031 B10R1.17 O=CCSC1CCCCC1 62a_100000210327_200015260668 [2,0,0,0,0,0|1,0,0]=3 1032 B10R1.17 O=CCSC1CCCCC1 62a_200015260668_100000210327 [2,0,0,0,0,0|1,0,0]=3 1033 B10R1.17 O=CCSC1CCCOC1 62a_200015260668_100000693364 [2,0,0,0,0,0|2,0,0]=4 1034 B10R1.17 O=CCSC1CCOCC1 62a_200015260668_100011324220 [2,0,0,0,0,0|2,0,0]=4 1035 B10R1.17 O=CCSC1CCSCC1 62a_200015260668_100000069128 [2,0,0,0,0,0|2,0,0]=4 1036 B10R1.17 OCCNC1CCCCC1 2230a_100000182618_100000211926 [2,0,0,0,0,0|1,0,1]=4 1037 B10R1.17 OCCNC1CCCCC1 270004a_100000210304_100000210434 [2,0,0,0,0,0|1,0,1]=4 1038 B10R1.17 OCCNC1CCCCC1 34a_100000182618_100000211926 [2,0,0,0,0,0|1,0,1]=4 1039 B10R1.17 OCCNC1CCCCC1 34a_100016990907_100000210327 [2,0,0,0,0,0|1,0,1]=4 1040 B10R1.17 OCCOC1CCCCC1 34a_100000210231_100000211926 [2,0,0,0,0,0|1,0,1]=4 1041 B10R1.17 OCCOC1CCCCC1 7a_100000210231_100000211926 [2,0,0,0,0,0|1,0,1]=4 1042 B10R1.17 OCCSC1CCCCC1 62a_100000210327_100000211926 [2,0,0,0,0,0|1,0,1]=4 1043 B10R1.17 OCCSC1CCCCC1 62a_100000211926_100000210327 [2,0,0,0,0,0|1,0,1]=4 1044 B10R1.17 [13CH3]NCCC1CCCCC1 2230a_100000738074_200025704644 [2,0,0,0,0,0|2,0,0]=4 1045 B10R1.17 [13CH3]NCCC1CCCCC1 34a_100000738074_200025704644 [2,0,0,0,0,0|2,0,0]=4 1046 B10R1.17 [13CH3]OCCC1CCCCC1 34a_100011217863_200025704644 [2,0,0,0,0,0|2,0,0]=4 1047 B10R1.17 [13CH3]OCCC1CCCCC1 7a_100011217863_200025704644 [2,0,0,0,0,0|2,0,0]=4 1048 B10R1.17 [13CH3]SCCC1CCCCC1 62a_100012355289_200025704644 [2,0,0,0,0,0|2,0,0]=4 1049 B10R1.17 [13CH3]SCCC1CCCCC1 62a_200025704644_100012355289 [2,0,0,0,0,0|2,0,0]=4 1050 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000070787_100000211423 [2,0,0,0,0,0|1,0,1]=4 1051 B10R1.18 CC(=O)CC1CCCCC1 1458a_100000211666_200000210301 [2,0,0,0,0,0|1,0,1]=4 1052 B10R1.18 [13CH3]C(=O)CC1CCCCC1 1458a_100000211666_200025704644 [2,0,0,0,0,0|1,0,1]=4 1053 B12R0.166 CCCC(CCC)N[C@@H](C)C(=O)O 269956a_100000743915_200011218217 [0,1,1,0,0,0|2,0,0]=4 1054 B12R0.222 C=C[C@H](NC(CC)CCC)C(=O)O 269956a_100016992060_100011219200 [0,1,1,0,0,0|2,0,0]=4 1055 B12R0.222 CCCC(CC)NC(CO)C(=O)O 269956a_100000187304_100011219200 [0,1,1,0,0,0|2,0,0]=4 1056 B12R0.222 CCCC(CC)N[C@H](CC)C(=O)O 269956a_100000747097_100011219200 [0,1,1,0,0,0|2,0,0]=4 1057 B12R0.226 CCCC(CC)N(C)C(C)C(=O)O 269956a_100000749554_100011219200 [0,1,1,0,0,0|2,0,0]=4 1058 B12R0.245 CCCCC(CC)N[C@@H](C)C(=O)O 269956a_100000743915_200011216223 [0,1,1,0,0,0|2,0,0]=4 1059 B12R0.273 CCCC(C)(CC)N[C@@H](C)C(=O)O 269956a_100000743915_200000040151 [0,1,1,0,0,0|2,0,0]=4 1060 B12R0.306 CCCC(CC)NC(C)C(=O)OC 2230a_100000747048_100000211248 [0,1,1,0,0,0|2,0,0]=4 1061 B12R0.306 CCCC(CC)OC(C)C(=O)OC 34a_100000687864_100000211248 [0,1,1,0,0,0|2,0,0]=4 1062 B12R0.306 CCCC(CC)OC(C)C(=O)OC 7a_100000687864_100000211248 [0,1,1,0,0,0|2,0,0]=4 1063 B12R0.306 CCCC(CC)SC(C)C(=O)OC 62a_100000211248_100011219200 [0,1,1,0,0,0|2,0,0]=4 1064 B12R0.306 CCCC(CC)SC(C)C(=O)OC 62a_100011219200_100000211248 [0,1,1,0,0,0|2,0,0]=4 1065 B12R0.306 CCCN(CC)CC(C)C(=O)OC 269982a_100000226822_100000698445 [0,1,1,0,0,0|2,0,0]=4 1066 B12R0.42 CC(C)CCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011216152 [0,1,1,0,0,0|2,0,0]=4 1067 B12R0.42 CC(C)CCCNCC(C)C(=O)O 269956a_100000749485_100011214892 [0,1,1,0,0,0|2,0,0]=4 1068 B12R0.42 CC(C)CCCNCC(F)C(=O)O 269956a_100000084737_100011214892 [0,1,1,0,0,0|2,0,0]=4 1069 B12R0.42 CC(C)CCCOC[C@H](N)C(=O)N 34a_100000729942_100011214892 [0,1,1,0,0,0|2,0,0]=4 1070 B12R0.42 CC(O)CCCNCC(C)C(=O)O 269956a_100000749485_200000718107 [0,1,1,0,0,0|2,0,0]=4 1071 B12R0.42 CC(O)CCCNCC(F)C(=O)O 269956a_100000084737_200000718107 [0,1,1,0,0,0|2,0,0]=4 1072 B12R0.42 CC(O)CCCOC[C@H](N)C(=O)N 34a_100000729942_200000718107 [0,1,1,0,0,0|2,0,0]=4 1073 B12R0.46 CCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210757 [0,1,1,0,0,0|2,0,0]=4 1074 B12R0.46 CCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000718602 [0,1,1,0,0,0|2,0,0]=4 1075 B12R0.48 CCCCC(C)NCC(C)C(=O)O 269956a_100000749485_200011215066 [0,1,1,0,0,0|2,0,0]=4 1076 B12R0.48 CCCCC(C)NCC(F)C(=O)O 269956a_100000084737_200011215066 [0,1,1,0,0,0|2,0,0]=4 1077 B12R0.48 CCCCC(C)OC[C@H](N)C(=O)N 34a_100000729942_200011215066 [0,1,1,0,0,0|2,0,0]=4 1078 B12R0.49 C#CC(=O)C(C)CCCCCCC 1458a_100000211873_200011218727 [0,1,1,0,0,0|2,0,0]=4 1079 B12R0.49 C=CC(=O)C(C)CCCCCCC 1458a_100000185746_200011218727 [0,1,1,0,0,0|2,0,0]=4 1080 B12R0.49 CCCCCCCC(C)C(=O)CC 1458a_100000210414_200011218727 [0,1,1,0,0,0|2,0,0]=4 1081 B12R0.49 CCCCCCCC(C)C(=O)CO 1458a_100000210174_200011218727 [0,1,1,0,0,0|1,0,0]=3 1082 B12R0.49 CCCCCCCN(C)C(=O)CO 240690a_100000228206_100000210174 [0,1,1,0,0,0|2,0,0]=4 1083 B12R0.49 CCCCCCCN(C)C(=O)CO 527a_100000228206_100000210174 [0,1,1,0,0,0|2,0,0]=4 1084 B12R0.49 CCCCCCNC(C)C(=O)OC 2230a_100000210581_100000211248 [0,1,1,0,0,0|2,0,0]=4 1085 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100000210259_100000211248 [0,1,1,0,0,0|2,0,0]=4 1086 B12R0.49 CCCCCCOC(C)C(=O)OC 34a_100011215400_100000210314 [0,1,1,0,0,0|2,0,0]=4 1087 B12R0.49 CCCCCCOC(C)C(=O)OC 7a_100000210259_100000211248 [0,1,1,0,0,0|2,0,0]=4 1088 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000210314_100000211248 [0,1,1,0,0,0|2,0,0]=4 1089 B12R0.49 CCCCCCSC(C)C(=O)OC 62a_100000211248_100000210757 [0,1,1,0,0,0|2,0,0]=4 1090 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000210253_100000698445 [0,1,1,0,0,0|2,0,0]=4 1091 B12R0.49 CCCCCOCC(C)C(=O)OC 34a_100000749362_100000718602 [0,1,1,0,0,0|2,0,0]=4 1092 B12R0.49 CCCCCOCC(C)C(=O)OC 7a_100000749362_100000210326 [0,1,1,0,0,0|2,0,0]=4 1093 B12R0.49 CCCCCOCC(F)C(=O)OC 34a_200009849844_100000718602 [0,1,1,0,0,0|2,0,0]=4 1094 B12R0.49 CCCCCOCC(N)C(=O)NN 34a_100016989258_100000718602 [0,1,1,0,0,0|2,0,0]=4 1095 B12R0.49 CCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000718602 [0,1,1,0,0,0|1,0,0]=3 1096 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000210326_100000698445 [0,1,1,0,0,0|2,0,0]=4 1097 B12R0.49 CCCCCSCC(C)C(=O)OC 62a_100000698445_100000210326 [0,1,1,0,0,0|2,0,0]=4 1098 B12R0.49 CCCCNCCC(C)C(=O)OC 2230a_100000102301_100000034942 [0,1,1,0,0,0|2,0,0]=4 1099 B12R0.49 CCCCNCCC(C)C(=O)OC 7a_106832991798_100000034942 [0,1,1,0,0,0|2,0,0]=4 1100 B12R0.49 CCCCOCCC(C)C(=O)OC 34a_100000210227_100000034942 [0,1,1,0,0,0|2,0,0]=4 1101 B12R0.49 CCCCOCCC(C)C(=O)OC 7a_100000210227_100000034942 [0,1,1,0,0,0|2,0,0]=4 1102 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000034942_100000210210 [0,1,1,0,0,0|2,0,0]=4 1103 B12R0.49 CCCCSCCC(C)C(=O)OC 62a_100000210211_100000034942 [0,1,1,0,0,0|2,0,0]=4 1104 B12R0.49 CCOCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210147 [0,1,1,0,0,0|2,0,0]=4 1105 B12R0.49 CCSCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000757381 [0,1,1,0,0,0|2,0,0]=4 1106 B12R0.49 COC(=O)[C@H](N)COCCCCF 34a_100000003586_100000729493 [0,1,1,0,0,0|2,0,0]=4 1107 B12R0.49 COC(=O)[C@H](N)COCCCCO 34a_100000003586_100011216708 [0,1,1,0,0,0|2,0,0]=4 1108 B12R0.49 COCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000740836 [0,1,1,0,0,0|2,0,0]=4 1109 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_100000070787_200000046972 [0,1,1,0,0,0|2,0,0]=4 1110 B12R0.58 CCCCCCCC(C)(C)C(=O)C 1458a_200011216102_200000210301 [0,1,1,0,0,0|2,0,0]=4 1111 B12R0.58 CCCCCCCC(C)(C)C(=O)[13CH3] 1458a_200011216102_200025704644 [0,1,1,0,0,0|2,0,0]=4 1112 B12R0.58 CCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210326 [0,1,1,0,0,0|2,0,0]=4 1113 B12R0.58 CCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210326 [0,1,1,0,0,0|2,0,0]=4 1114 B12R0.123 CCCCCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200011218191 [0,1,1,0,0,0|2,0,0]=4 1115 B12R0.201 C=C[C@H](NCCCCCC)C(=O)O 269956a_100016992060_100000210757 [0,1,1,0,0,0|2,0,0]=4 1116 B12R0.201 CCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210757 [0,1,1,0,0,0|2,0,0]=4 1117 B12R0.201 CCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210757 [0,1,1,0,0,0|2,0,0]=4 1118 B12R0.251 CC(CNCCCCCF)C(=O)O 269956a_100000749485_100000729378 [0,1,1,0,0,0|2,0,0]=4 1119 B12R0.251 CC(CNCCCCCO)C(=O)O 269956a_100000749485_100000746330 [0,1,1,0,0,0|2,0,0]=4 1120 B12R0.251 CCCCCCCCC(O)C(=O)C 1458a_200011995895_200000210301 [0,1,1,0,0,0|2,0,0]=4 1121 B12R0.251 CCCCCCCCC(O)C(=O)[13CH3] 1458a_200011995895_200025704644 [0,1,1,0,0,0|2,0,0]=4 1122 B12R0.251 CCCCCCCNC(C)C(=O)C 2230a_100000229938_100009814033 [0,1,1,0,0,0|2,0,0]=4 1123 B12R0.251 CCCCCCCNC(C)C(=O)N 2230a_100000229938_100000702099 [0,1,1,0,0,0|2,0,0]=4 1124 B12R0.251 CCCCCCCNC(F)C(=O)N 2230a_100000229938_100009813875 [0,1,1,0,0,0|2,0,0]=4 1125 B12R0.251 CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210614 [0,1,1,0,0,0|1,0,0]=3 1126 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210681 [0,1,1,0,0,0|2,0,0]=4 1127 B12R0.251 CCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210614 [0,1,1,0,0,0|2,0,0]=4 1128 B12R0.251 CCCCCCCOC(C)C(=O)C 34a_100000212229_100000210614 [0,1,1,0,0,0|2,0,0]=4 1129 B12R0.251 CCCCCCCOC(C)C(=O)C 7a_100000210272_100000179758 [0,1,1,0,0,0|2,0,0]=4 1130 B12R0.251 CCCCCCCOC(C)C(=O)N 34a_100000210272_100000702099 [0,1,1,0,0,0|2,0,0]=4 1131 B12R0.251 CCCCCCCOC(C)C(=O)N 7a_100000210272_100000702099 [0,1,1,0,0,0|2,0,0]=4 1132 B12R0.251 CCCCCCCOC(F)C(=O)N 34a_100000210272_100009813875 [0,1,1,0,0,0|2,0,0]=4 1133 B12R0.251 CCCCCCCOC(F)C(=O)N 7a_100000210272_100009813875 [0,1,1,0,0,0|2,0,0]=4 1134 B12R0.251 CCCCCCCOC(F)C(=O)[O-] 34a_100000210272_100020610796 [0,1,1,0,0,0|1,0,1]=4 1135 B12R0.251 CCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210614 [0,1,1,0,0,0|1,0,1]=4 1136 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210614 [0,1,1,0,0,0|2,0,0]=4 1137 B12R0.251 CCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210614 [0,1,1,0,0,0|2,0,0]=4 1138 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100000210614_100009814033 [0,1,1,0,0,0|2,0,0]=4 1139 B12R0.251 CCCCCCCSC(C)C(=O)C 62a_100009814033_100000210316 [0,1,1,0,0,0|2,0,0]=4 1140 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000210614_100000702099 [0,1,1,0,0,0|2,0,0]=4 1141 B12R0.251 CCCCCCCSC(C)C(=O)N 62a_100000702099_100000210316 [0,1,1,0,0,0|2,0,0]=4 1142 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100000210614_100009813875 [0,1,1,0,0,0|2,0,0]=4 1143 B12R0.251 CCCCCCCSC(F)C(=O)N 62a_100009813875_100000210316 [0,1,1,0,0,0|2,0,0]=4 1144 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100000210614_100020610796 [0,1,1,0,0,0|1,0,1]=4 1145 B12R0.251 CCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210316 [0,1,1,0,0,0|1,0,1]=4 1146 B12R0.251 CCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210757 [0,1,1,0,0,0|1,0,0]=3 1147 B12R0.251 CCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210757 [0,1,1,0,0,0|1,0,0]=3 1148 B12R0.251 CCCCCCOCC(C)C(=O)C 34a_100000032740_100000210314 [0,1,1,0,0,0|2,0,0]=4 1149 B12R0.251 CCCCCCOCC(C)C(=O)C 7a_100000032740_100000210314 [0,1,1,0,0,0|2,0,0]=4 1150 B12R0.251 CCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210314 [0,1,1,0,0,0|1,0,0]=3 1151 B12R0.251 CCCCOCCN[C@@H](C)C(=O)O 269956a_100000743915_100000743108 [0,1,1,0,0,0|2,0,0]=4 1152 B12R0.251 CCCCOCNCC(C)C(=O)O 269956a_100000749485_100011995733 [0,1,1,0,0,0|2,0,0]=4 1153 B12R0.251 CCCCOCNCC(F)C(=O)O 269956a_100000084737_100011995733 [0,1,1,0,0,0|2,0,0]=4 1154 B12R0.251 CCCCOCOC[C@H](N)C(=O)N 34a_100000729942_100011995733 [0,1,1,0,0,0|2,0,0]=4 1155 B12R0.251 CCCOCCNCC(C)C(=O)O 269956a_100000749485_100011215938 [0,1,1,0,0,0|2,0,0]=4 1156 B12R0.251 CCCOCCNCC(F)C(=O)O 269956a_100000084737_100011215938 [0,1,1,0,0,0|2,0,0]=4 1157 B12R0.251 CCCOCCOC[C@H](N)C(=O)N 34a_100000729942_100011215938 [0,1,1,0,0,0|2,0,0]=4 1158 B12R0.251 CCOCCCNCC(C)C(=O)O 269956a_100000749485_100012232248 [0,1,1,0,0,0|2,0,0]=4 1159 B12R0.251 CCOCCCNCC(F)C(=O)O 269956a_100000084737_100012232248 [0,1,1,0,0,0|2,0,0]=4 1160 B12R0.251 CCOCCCOC[C@H](N)C(=O)N 34a_100000729942_100012232248 [0,1,1,0,0,0|2,0,0]=4 1161 B12R0.251 COCCCCNCC(C)C(=O)O 269956a_100000749485_100000730899 [0,1,1,0,0,0|2,0,0]=4 1162 B12R0.251 COCCCCNCC(F)C(=O)O 269956a_100000084737_100000730899 [0,1,1,0,0,0|2,0,0]=4 1163 B12R0.251 COCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000755781 [0,1,1,0,0,0|2,0,0]=4 1164 B12R0.251 C[C@H](NCCCCCCF)C(=O)O 269956a_100000743915_100015922095 [0,1,1,0,0,0|2,0,0]=4 1165 B12R0.251 C[C@H](NCCCCCCO)C(=O)O 269956a_100000743915_100000766143 [0,1,1,0,0,0|2,0,0]=4 1166 B12R0.251 NC(=O)[C@@H](N)COCCCCCF 34a_100000729942_100000729378 [0,1,1,0,0,0|2,0,0]=4 1167 B12R0.251 NC(=O)[C@@H](N)COCCCCCO 34a_100000729942_100000746330 [0,1,1,0,0,0|2,0,0]=4 1168 B12R0.251 O=C(O)C(F)CNCCCCCF 269956a_100000084737_100000729378 [0,1,1,0,0,0|2,0,0]=4 1169 B12R0.251 O=C(O)C(F)CNCCCCCO 269956a_100000084737_100000746330 [0,1,1,0,0,0|2,0,0]=4 1170 B12R0.279 CCCC(C)CNCC(C)C(=O)O 269956a_100000749485_100011216630 [0,1,1,0,0,0|2,0,0]=4 1171 B12R0.279 CCCC(C)CNCC(F)C(=O)O 269956a_100000084737_100011216630 [0,1,1,0,0,0|2,0,0]=4 1172 B12R0.279 CCCC(C)COC[C@H](N)C(=O)N 34a_100000729942_100011216630 [0,1,1,0,0,0|2,0,0]=4 1173 B12R0.93 C=C[C@H](NC(C)CCCC)C(=O)O 269956a_100016992060_200011215066 [0,1,1,0,0,0|2,0,0]=4 1174 B12R0.93 CCCCC(C)NC(CO)C(=O)O 269956a_100000187304_200011215066 [0,1,1,0,0,0|2,0,0]=4 1175 B12R0.93 CCCCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_200011215066 [0,1,1,0,0,0|2,0,0]=4 1176 B12R0.97 CCCCC(C)N(C)C(C)C(=O)O 269956a_100000749554_200011215066 [0,1,1,0,0,0|2,0,0]=4 1177 B12R0.134 CCCCC(C)NC(C)C(=O)OC 2230a_100000126638_100000211248 [0,1,1,0,0,0|2,0,0]=4 1178 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100000687866_100000211248 [0,1,1,0,0,0|2,0,0]=4 1179 B12R0.134 CCCCC(C)OC(C)C(=O)OC 34a_100011215400_200011215066 [0,1,1,0,0,0|2,0,0]=4 1180 B12R0.134 CCCCC(C)OC(C)C(=O)OC 7a_100000687866_100000211248 [0,1,1,0,0,0|2,0,0]=4 1181 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_100000211248_200011215066 [0,1,1,0,0,0|2,0,0]=4 1182 B12R0.134 CCCCC(C)SC(C)C(=O)OC 62a_200011215066_100000211248 [0,1,1,0,0,0|2,0,0]=4 1183 B12R0.134 CCCCN(C)CC(C)C(=O)OC 269982a_100000207549_100000698445 [0,1,1,0,0,0|2,0,0]=4 1184 B12R0.139 CC(C)CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011261404 [0,1,1,0,0,0|2,0,0]=4 1185 B12R1.32 CN(CC=O)CC1CCCCC1 2230a_100000736448_200015260668 [1,1,0,0,0,0|2,0,0]=4 1186 B12R1.32 CN(CC=O)CC1CCCCC1 269982a_100000736448_200015260668 [1,1,0,0,0,0|2,0,0]=4 1187 B12R1.32 CN(CC=O)CC1CCCCC1 34a_100000736448_200009817547 [1,1,0,0,0,0|2,0,0]=4 1188 B12R1.32 COC[C@@H](N)CC1CCCCC1 34a_100015184289_200000210301 [1,1,0,0,0,0|0,0,1]=3 1189 B12R1.32 [13CH3]OC[C@@H](N)CC1CCCCC1 34a_100015184289_200025704644 [1,1,0,0,0,0|0,0,1]=3 1190 B12R1.118 CN[C@H](CO)CC1CCCCC1 2230a_100015184289_200000210301 [1,1,0,0,0,0|0,0,1]=3 1191 B12R1.118 CN[C@H](CO)CC1CCCCC1 34a_100015184289_200000210301 [1,1,0,0,0,0|0,0,1]=3 1192 B12R1.118 O=CC(C=O)NC1CCCCC1 2230a_100000182618_100000736813 [1,1,0,0,0,0|2,0,0]=4 1193 B12R1.118 O=CC(C=O)NC1CCCCC1 34a_100000182618_100000736813 [1,1,0,0,0,0|2,0,0]=4 1194 B12R1.118 O=CC(C=O)OC1CCCCC1 34a_100000210231_100000736813 [1,1,0,0,0,0|2,0,0]=4 1195 B12R1.118 O=CC(C=O)SC1CCCCC1 62a_100000210327_100000736813 [1,1,0,0,0,0|2,0,0]=4 1196 B12R1.118 O=CC(C=O)SC1CCCCC1 62a_100000736813_100000210327 [1,1,0,0,0,0|2,0,0]=4 1197 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 2230a_100015184289_200025704644 [1,1,0,0,0,0|0,0,1]=3 1198 B12R1.118 [13CH3]N[C@H](CO)CC1CCCCC1 34a_100015184289_200025704644 [1,1,0,0,0,0|0,0,1]=3 1199 B12R1.21 CC(=O)CCN1CCC(CC1)C 1458a_100000740328_200000210301 [1,1,0,0,0,0|2,0,0]=4 1200 B12R1.21 CC(=O)CCN1CCC(CC1)C 269982a_100000188429_100000053229 [1,1,0,0,0,0|2,0,0]=4 1201 B12R1.21 CC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000053229 [1,1,0,0,0,0|2,0,0]=4 1202 B12R1.21 CC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000053229 [1,1,0,0,0,0|2,0,0]=4 1203 B12R1.21 CC(=O)COC1CCC(CC1)C 34a_100000211253_200011216234 [1,1,0,0,0,0|2,0,0]=4 1204 B12R1.21 CC(=O)NCC1CCC(CC1)C 11a_103436935547_100015343762 [1,1,0,0,0,0|2,0,0]=4 1205 B12R1.21 CC(=O)NCC1CCC(CC1)C 1626a_103436935547_100015343762 [1,1,0,0,0,0|2,0,0]=4 1206 B12R1.21 CC(=O)NCC1CCC(CC1)C 240690a_103436935547_100015343762 [1,1,0,0,0,0|2,0,0]=4 1207 B12R1.21 CC(=O)NCC1CCC(CC1)C 527a_103436935547_100103153847 [1,1,0,0,0,0|2,0,0]=4 1208 B12R1.21 CC1CCC(CC1)NCC(=O)O 269956a_100016091260_200011216234 [1,1,0,0,0,0|1,0,0]=3 1209 B12R1.21 CC1CCC(CC1)OCC(=O)N 34a_100000210714_100000187820 [1,1,0,0,0,0|2,0,0]=4 1210 B12R1.21 CC1CCC(CC1)OCC(=O)N 7a_100000210714_100000187820 [1,1,0,0,0,0|2,0,0]=4 1211 B12R1.21 CC1CCC(CC1)OCC(=O)[O-] 34a_100000210714_100020667443 [1,1,0,0,0,0|1,0,1]=4 1212 B12R1.21 CC1CCC(CC1)SCC(=O)N 62a_100000747473_200011216234 [1,1,0,0,0,0|2,0,0]=4 1213 B12R1.21 CC1CCC(CC1)SCC(=O)[O-] 62a_100020667443_200011216234 [1,1,0,0,0,0|1,0,1]=4 1214 B12R1.21 CC1CCN(CC1)CCC(=O)N 2230a_100000188429_100000744528 [1,1,0,0,0,0|2,0,0]=4 1215 B12R1.21 CC1CCN(CC1)CCC(=O)N 269982a_100000188429_100000744528 [1,1,0,0,0,0|2,0,0]=4 1216 B12R1.21 CC1CCN(CC1)CCC(=O)N 34a_100000188429_100000731001 [1,1,0,0,0,0|2,0,0]=4 1217 B12R1.21 CC1CCN(CC1)CCC(=O)[13CH3] 1458a_100000740328_200025704644 [1,1,0,0,0,0|2,0,0]=4 1218 B12R1.21 CN1CCC(CC1)CCC(=O)N 2230a_100015183425_200000210301 [1,1,0,0,0,0|2,0,0]=4 1219 B12R1.21 CN1CCC(CC1)CCC(=O)N 34a_100015183425_200000210301 [1,1,0,0,0,0|2,0,0]=4 1220 B12R1.21 CN1CCC(CC1)NCC(=O)O 269956a_100016091260_100011215917 [1,1,0,0,0,0|2,0,0]=4 1221 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 2230a_100020625639_100000747473 [1,1,0,0,0,0|2,0,0]=4 1222 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)N 34a_100020625639_100000187820 [1,1,0,0,0,0|2,0,0]=4 1223 B12R1.21 C[C@H]1CC[C@@H](CC1)NCC(=O)[O-] 34a_100020625639_100020667443 [1,1,0,0,0,0|1,0,1]=4 1224 B12R1.21 NC(=O)CCN1CCC(CC1)F 2230a_100015193889_100000744528 [1,1,0,0,0,0|2,0,0]=4 1225 B12R1.21 NC(=O)CCN1CCC(CC1)F 269982a_100015193889_100000744528 [1,1,0,0,0,0|2,0,0]=4 1226 B12R1.21 NC(=O)CCN1CCC(CC1)F 34a_100015193889_100000731001 [1,1,0,0,0,0|2,0,0]=4 1227 B12R1.21 NC(=O)CCN1CCC(CC1)O 2230a_100025773856_100000744528 [1,1,0,0,0,0|2,0,0]=4 1228 B12R1.21 NC(=O)CCN1CCC(CC1)O 269982a_100025773856_100000744528 [1,1,0,0,0,0|2,0,0]=4 1229 B12R1.21 NC(=O)CO[C@H]1CC[C@H](CC1)N 34a_100020628982_100000187820 [1,1,0,0,0,0|2,0,0]=4 1230 B12R1.21 N[C@H]1CC[C@H](CC1)OCC(=O)[O-] 34a_100020628982_100020667443 [1,1,0,0,0,0|1,0,1]=4 1231 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 2230a_100015183425_200025704644 [1,1,0,0,0,0|2,0,0]=4 1232 B12R1.21 [13CH3]N1CCC(CC1)CCC(=O)N 34a_100015183425_200025704644 [1,1,0,0,0,0|2,0,0]=4 1233 B12R1.27 C#CC(=O)CCC1CCCCC1 1458a_100000211873_100011273959 [1,1,0,0,0,0|1,0,0]=3 1234 B12R1.27 C#CC(=O)CCC1CCOCC1 1458a_100000211873_100011934994 [1,1,0,0,0,0|2,0,0]=4 1235 B12R1.27 C#CC(=O)CCN1CCCCC1 1458a_100000211873_100000739454 [1,1,0,0,0,0|2,0,0]=4 1236 B12R1.27 C#CC(=O)COC1CCCCC1 1458a_100000211873_100011935260 [1,1,0,0,0,0|2,0,0]=4 1237 B12R1.27 C=CC(=O)CCC1CCCCC1 1458a_100000185746_100011273959 [1,1,0,0,0,0|1,0,0]=3 1238 B12R1.27 C=CC(=O)CCC1CCOCC1 1458a_100000185746_100011934994 [1,1,0,0,0,0|2,0,0]=4 1239 B12R1.27 C=CC(=O)CCN1CCCCC1 1458a_100000185746_100000739454 [1,1,0,0,0,0|2,0,0]=4 1240 B12R1.27 C=CC(=O)COC1CCCCC1 1458a_100000185746_100011935260 [1,1,0,0,0,0|2,0,0]=4 1241 B12R1.27 C=CC(=O)NCC1CCCCC1 1626a_100000210473_100000185746 [1,1,0,0,0,0|2,0,0]=4 1242 B12R1.27 C=CC(=O)NCC1CCCCC1 240690a_100000210473_200121576911 [1,1,0,0,0,0|2,0,0]=4 1243 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000210414_100011273959 [1,1,0,0,0,0|1,0,0]=3 1244 B12R1.27 CCC(=O)CCC1CCCCC1 1458a_100000211375_100000210202 [1,1,0,0,0,0|1,0,0]=3 1245 B12R1.27 CCC(=O)CCC1CCOCC1 1458a_100000210414_100011934994 [1,1,0,0,0,0|2,0,0]=4 1246 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000210414_100000739454 [1,1,0,0,0,0|2,0,0]=4 1247 B12R1.27 CCC(=O)CCN1CCCCC1 1458a_100000743487_100000210202 [1,1,0,0,0,0|2,0,0]=4 1248 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100000210414_100011935260 [1,1,0,0,0,0|2,0,0]=4 1249 B12R1.27 CCC(=O)COC1CCCCC1 1458a_100011223303_100000210202 [1,1,0,0,0,0|2,0,0]=4 1250 B12R1.27 CCC(=O)COC1CCCCC1 34a_100000725409_100000210327 [1,1,0,0,0,0|2,0,0]=4 1251 B12R1.27 CCC(=O)COC1CCCCC1 7a_100000210231_100000747405 [1,1,0,0,0,0|2,0,0]=4 1252 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000210327_100000747405 [1,1,0,0,0,0|2,0,0]=4 1253 B12R1.27 CCC(=O)CSC1CCCCC1 62a_100000747405_100000210327 [1,1,0,0,0,0|2,0,0]=4 1254 B12R1.27 CCC(=O)NCC1CCCCC1 11a_100000210473_100000210414 [1,1,0,0,0,0|2,0,0]=4 1255 B12R1.27 CCC(=O)NCC1CCCCC1 1626a_100000210473_100000210414 [1,1,0,0,0,0|2,0,0]=4 1256 B12R1.27 CCC(=O)NCC1CCCCC1 240690a_100000210473_100000210414 [1,1,0,0,0,0|2,0,0]=4 1257 B12R1.27 CCC(=O)NCC1CCCCC1 527a_100000210473_100000210414 [1,1,0,0,0,0|2,0,0]=4 1258 B12R1.27 CNC(=O)CCC1CCCCC1 11a_106832991635_100000211375 [1,1,0,0,0,0|1,0,0]=3 1259 B12R1.27 CNC(=O)CCC1CCCCC1 1626a_100102657272_100000211375 [1,1,0,0,0,0|1,0,0]=3 1260 B12R1.27 CNC(=O)CCC1CCCCC1 240690a_100102657272_100000211375 [1,1,0,0,0,0|1,0,0]=3 1261 B12R1.27 CNC(=O)CCC1CCCCC1 527a_100102657272_100000211375 [1,1,0,0,0,0|1,0,0]=3 1262 B12R1.27 CNC(=O)CCN1CCCCC1 240690a_100102657272_100000743487 [1,1,0,0,0,0|2,0,0]=4 1263 B12R1.27 CNC(=O)CNC1CCCCC1 2230a_100000182618_100000183359 [1,1,0,0,0,0|2,0,0]=4 1264 B12R1.27 CNC(=O)CNC1CCCCC1 270004a_100000693194_100000210434 [1,1,0,0,0,0|2,0,0]=4 1265 B12R1.27 CNC(=O)CNC1CCCCC1 34a_100000182618_100000183359 [1,1,0,0,0,0|2,0,0]=4 1266 B12R1.27 CNC(=O)COC1CCCCC1 11a_106832991635_100011223303 [1,1,0,0,0,0|2,0,0]=4 1267 B12R1.27 CNC(=O)COC1CCCCC1 1626a_100102657272_100011223303 [1,1,0,0,0,0|2,0,0]=4 1268 B12R1.27 CNC(=O)COC1CCCCC1 240690a_100102657272_100011223303 [1,1,0,0,0,0|2,0,0]=4 1269 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000210231_100000183359 [1,1,0,0,0,0|2,0,0]=4 1270 B12R1.27 CNC(=O)COC1CCCCC1 34a_100000750040_100000210327 [1,1,0,0,0,0|2,0,0]=4 1271 B12R1.27 CNC(=O)COC1CCCCC1 527a_100102657272_100011223303 [1,1,0,0,0,0|2,0,0]=4 1272 B12R1.27 CNC(=O)COC1CCCCC1 7a_100000210231_100000183359 [1,1,0,0,0,0|2,0,0]=4 1273 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000183359_100000210327 [1,1,0,0,0,0|2,0,0]=4 1274 B12R1.27 CNC(=O)CSC1CCCCC1 62a_100000210327_100000183359 [1,1,0,0,0,0|2,0,0]=4 1275 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100000210473_106832991635 [1,1,0,0,0,0|2,0,0]=4 1276 B12R1.27 CNC(=O)NCC1CCCCC1 2708a_100102657272_100000210473 [1,1,0,0,0,0|2,0,0]=4 1277 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100000210473_100102657272 [1,1,0,0,0,0|2,0,0]=4 1278 B12R1.27 CNC(=O)NCC1CCCCC1 273464a_100102657272_100000210473 [1,1,0,0,0,0|2,0,0]=4 1279 B12R1.27 CNC(=O)NCC1CCCCC1 512a_106832991638_100000210473 [1,1,0,0,0,0|2,0,0]=4 1280 B12R1.27 COC(=O)CCN1CCCOC1 2230a_100000131196_100000204255 [1,1,0,0,0,0|2,0,0]=4 1281 B12R1.27 COC(=O)CCN1CCCOC1 269982a_100000131196_100000204255 [1,1,0,0,0,0|2,0,0]=4 1282 B12R1.27 COC(=O)CCN1CCCOC1 34a_100000131196_100000742370 [1,1,0,0,0,0|2,0,0]=4 1283 B12R1.27 COC(=O)CCN1CCOCC1 2230a_100015191051_100000204255 [1,1,0,0,0,0|2,0,0]=4 1284 B12R1.27 COC(=O)CCN1CCOCC1 269982a_100015191051_100000204255 [1,1,0,0,0,0|2,0,0]=4 1285 B12R1.27 COC(=O)CCN1CCOCC1 34a_100015191051_100000742370 [1,1,0,0,0,0|2,0,0]=4 1286 B12R1.27 COC(=O)CCN1CCSCC1 2230a_100000737611_100000204255 [1,1,0,0,0,0|2,0,0]=4 1287 B12R1.27 COC(=O)CCN1CCSCC1 269982a_100000737611_100000204255 [1,1,0,0,0,0|2,0,0]=4 1288 B12R1.27 COC(=O)CNC1CCCCC1 2230a_100000182618_100000747449 [1,1,0,0,0,0|1,0,0]=3 1289 B12R1.27 COC(=O)CNC1CCCCC1 34a_100000182618_100000747449 [1,1,0,0,0,0|1,0,0]=3 1290 B12R1.27 COC(=O)CNC1CCCOC1 2230a_100000719290_100000747449 [1,1,0,0,0,0|2,0,0]=4 1291 B12R1.27 COC(=O)CNC1CCCOC1 34a_100000719290_100000747449 [1,1,0,0,0,0|2,0,0]=4 1292 B12R1.27 COC(=O)CNC1CCOCC1 2230a_100000741149_100000747449 [1,1,0,0,0,0|2,0,0]=4 1293 B12R1.27 COC(=O)CNC1CCOCC1 34a_100000741149_100000747449 [1,1,0,0,0,0|2,0,0]=4 1294 B12R1.27 COC(=O)CNC1CCSCC1 2230a_100000748639_100000747449 [1,1,0,0,0,0|2,0,0]=4 1295 B12R1.27 COC(=O)CNC1CCSCC1 34a_100000748639_100000747449 [1,1,0,0,0,0|2,0,0]=4 1296 B12R1.27 COC(=O)COC1CCCCC1 34a_100000210231_100000747449 [1,1,0,0,0,0|1,0,0]=3 1297 B12R1.27 COC(=O)COC1CCCCC1 7a_100000210231_100000747449 [1,1,0,0,0,0|1,0,0]=3 1298 B12R1.27 COC(=O)COC1CCCCO1 34a_100000033831_100000747449 [1,1,0,0,0,0|2,0,0]=4 1299 B12R1.27 COC(=O)COC1CCCOC1 34a_100000754041_100000747449 [1,1,0,0,0,0|2,0,0]=4 1300 B12R1.27 COC(=O)COC1CCCSC1 7a_100015962668_100000747449 [1,1,0,0,0,0|2,0,0]=4 1301 B12R1.27 COC(=O)COC1CCOCC1 34a_100000744328_100000747449 [1,1,0,0,0,0|2,0,0]=4 1302 B12R1.27 COC(=O)COC1CCSCC1 34a_100000731022_100000747449 [1,1,0,0,0,0|2,0,0]=4 1303 B12R1.27 COC(=O)COC1CCSCC1 7a_100000731022_100000747449 [1,1,0,0,0,0|2,0,0]=4 1304 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000210327_100000747449 [1,1,0,0,0,0|1,0,0]=3 1305 B12R1.27 COC(=O)CSC1CCCCC1 62a_100000747449_100000210327 [1,1,0,0,0,0|1,0,0]=3 1306 B12R1.27 COC(=O)CSC1CCCOC1 62a_100000747449_100000693364 [1,1,0,0,0,0|2,0,0]=4 1307 B12R1.27 COC(=O)CSC1CCOCC1 62a_100000747449_100011324220 [1,1,0,0,0,0|2,0,0]=4 1308 B12R1.27 COC(=O)CSC1CCSCC1 62a_100000747449_100000069128 [1,1,0,0,0,0|2,0,0]=4 1309 B12R1.27 O=C(CF)CCC1CCCCC1 1458a_100000211375_100015361967 [1,1,0,0,0,0|1,0,0]=3 1310 B12R1.27 O=C(CF)CCN1CCCCC1 1458a_100000743487_100015361967 [1,1,0,0,0,0|2,0,0]=4 1311 B12R1.27 O=C(CF)COC1CCCCC1 1458a_100011223303_100015361967 [1,1,0,0,0,0|2,0,0]=4 1312 B12R1.27 O=C(CO)CCC1CCCCC1 1458a_100000210174_100011273959 [1,1,0,0,0,0|0,0,0]=2 1313 B12R1.27 O=C(CO)CCC1CCOCC1 1458a_100000210174_100011934994 [1,1,0,0,0,0|1,0,0]=3 1314 B12R1.27 O=C(CO)CCC1OCCCO1 1458a_100000210174_100000764188 [1,1,0,0,0,0|2,0,0]=4 1315 B12R1.27 O=C(CO)CCN1CCCCC1 1458a_100000210174_100000739454 [1,1,0,0,0,0|1,0,0]=3 1316 B12R1.27 O=C(CO)CCN1CCOCC1 1458a_100000210174_100000753993 [1,1,0,0,0,0|2,0,0]=4 1317 B12R1.27 O=C(CO)COC1CCCCC1 1458a_100000210174_100011935260 [1,1,0,0,0,0|1,0,0]=3 1318 B12R1.27 O=C(CO)NCC1CCCCC1 240690a_100000210473_100000210174 [1,1,0,0,0,0|1,0,0]=3 1319 B12R1.27 O=C(CO)NCC1CCCCC1 527a_100000210473_100000210174 [1,1,0,0,0,0|1,0,0]=3 1320 B12R1.27 O=C(CO)NCC1CCCCO1 240690a_100000174945_100000210174 [1,1,0,0,0,0|2,0,0]=4 1321 B12R1.27 O=C(CO)NCC1CCCCO1 527a_100000174945_100000210174 [1,1,0,0,0,0|2,0,0]=4 1322 B12R1.27 O=C(CO)NCC1CCCOC1 240690a_100000720124_100000210174 [1,1,0,0,0,0|2,0,0]=4 1323 B12R1.27 O=C(CO)NCC1CCCOC1 527a_100000720124_100000210174 [1,1,0,0,0,0|2,0,0]=4 1324 B12R1.27 O=C(CO)NCC1CCOCC1 240690a_100000746373_100000210174 [1,1,0,0,0,0|2,0,0]=4 1325 B12R1.27 O=C(CO)NCC1CCOCC1 527a_100000746373_100000210174 [1,1,0,0,0,0|2,0,0]=4 1326 B12R1.27 O=C(CO)NCC1CCSCC1 240690a_100015188806_100000210174 [1,1,0,0,0,0|2,0,0]=4 1327 B12R1.27 O=C(CO)NCC1CCSCC1 527a_100015188806_100000210174 [1,1,0,0,0,0|2,0,0]=4 1328 B12R1.27 O=C(CO)NNC1CCCCC1 22a_100000709804_100000210174 [1,1,0,0,0,0|2,0,0]=4 1329 B12R1.107 CC(=O)CC(=O)C1CCCCC1 1458a_100000070787_100000241979 [1,1,0,0,0,0|1,0,1]=4 1330 B12R1.107 CC(=O)CC(C)N1CCCCC1 1458a_100015187720_200000210301 [1,1,0,0,0,0|2,0,0]=4 1331 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 11a_100025707633_100015343762 [1,1,0,0,0,0|2,0,0]=4 1332 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 1626a_100025707633_100015343762 [1,1,0,0,0,0|2,0,0]=4 1333 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 240690a_100025707633_100015343762 [1,1,0,0,0,0|2,0,0]=4 1334 B12R1.107 CC(=O)N[C@H](C)C1CCCCC1 527a_100025707633_100103153847 [1,1,0,0,0,0|2,0,0]=4 1335 B12R1.107 CC(CC(=O)[13CH3])N1CCCCC1 1458a_100015187720_200025704644 [1,1,0,0,0,0|2,0,0]=4 1336 B12R1.107 CN(CC(=O)N)C1CCCCC1 2230a_100000207522_100000747473 [1,1,0,0,0,0|2,0,0]=4 1337 B12R1.107 CN(CC(=O)N)C1CCCCC1 269982a_100000207522_100000187820 [1,1,0,0,0,0|2,0,0]=4 1338 B12R1.107 CN(CC(=O)N)C1CCCCC1 270004a_100000739694_100000210434 [1,1,0,0,0,0|2,0,0]=4 1339 B12R1.107 CN(CC(=O)N)C1CCCCC1 34a_100000207522_100000187820 [1,1,0,0,0,0|2,0,0]=4 1340 B12R1.107 CN(CC(=O)O)C1CCCCC1 269956a_100000746989_100000210327 [1,1,0,0,0,0|1,0,0]=3 1341 B12R1.107 CN(CC(=O)O)C1CCCOC1 269956a_100000746989_100000693364 [1,1,0,0,0,0|2,0,0]=4 1342 B12R1.107 CN(CC(=O)O)C1CCOCC1 269956a_100000746989_100011324220 [1,1,0,0,0,0|2,0,0]=4 1343 B12R1.107 CN(CC(=O)O)C1CCSCC1 269956a_100000746989_100000069128 [1,1,0,0,0,0|2,0,0]=4 1344 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 269982a_100000207522_100020667443 [1,1,0,0,0,0|1,0,1]=4 1345 B12R1.107 CN(CC(=O)[O-])C1CCCCC1 34a_100000207522_100020667443 [1,1,0,0,0,0|1,0,1]=4 1346 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100000210647_100000187820 [1,1,0,0,0,0|1,0,1]=4 1347 B12R1.107 NC(=O)CC(=O)C1CCCCC1 1458a_100134613110_100000210327 [1,1,0,0,0,0|1,0,1]=4 1348 B12R1.107 O=C([O-])CC(=O)C1CCCCC1 1458a_100000210647_100020667443 [1,1,0,0,0,0|0,0,2]=4 1349 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000070787_100000211948 [1,1,0,0,0,0|2,0,0]=4 1350 B12R1.125 CC(=O)CCC1CCCCN1C 1458a_100000718493_200000210301 [1,1,0,0,0,0|2,0,0]=4 1351 B12R1.125 CC(=O)CCN1CCCCC1C 269982a_100000211376_100000053229 [1,1,0,0,0,0|2,0,0]=4 1352 B12R1.125 CC(=O)COC1CCCCC1C 1458a_100011223357_200000210301 [1,1,0,0,0,0|2,0,0]=4 1353 B12R1.125 CC(=O)COC1CCCCC1F 34a_100000211253_100015423560 [1,1,0,0,0,0|2,0,0]=4 1354 B12R1.125 CC(=O)COC1CCCCC1O 34a_100000211253_100000038908 [1,1,0,0,0,0|2,0,0]=4 1355 B12R1.125 CC(=O)NCC1CCCCC1O 240690a_100011216029_100015343762 [1,1,0,0,0,0|2,0,0]=4 1356 B12R1.125 CC(=O)NCC1CCCCC1O 527a_100011216029_100103153847 [1,1,0,0,0,0|2,0,0]=4 1357 B12R1.125 CC1CCCCC1NCC(=O)N 2230a_100000211402_100000747473 [1,1,0,0,0,0|2,0,0]=4 1358 B12R1.125 CC1CCCCC1NCC(=O)N 34a_100000211402_100000187820 [1,1,0,0,0,0|2,0,0]=4 1359 B12R1.125 CC1CCCCC1NCC(=O)[O-] 34a_100000211402_100020667443 [1,1,0,0,0,0|1,0,1]=4 1360 B12R1.125 CC1CCCCC1OCC(=O)N 34a_100000211207_100000187820 [1,1,0,0,0,0|2,0,0]=4 1361 B12R1.125 CC1CCCCC1OCC(=O)N 7a_100000211207_100000187820 [1,1,0,0,0,0|2,0,0]=4 1362 B12R1.125 CC1CCCCC1OCC(=O)[13CH3] 1458a_100011223357_200025704644 [1,1,0,0,0,0|2,0,0]=4 1363 B12R1.125 CC1CCCCC1OCC(=O)[O-] 34a_100000211207_100020667443 [1,1,0,0,0,0|1,0,1]=4 1364 B12R1.125 CC1CCCCN1CCC(=O)N 2230a_100000211376_100000744528 [1,1,0,0,0,0|2,0,0]=4 1365 B12R1.125 CC1CCCCN1CCC(=O)N 269982a_100000211376_100000744528 [1,1,0,0,0,0|2,0,0]=4 1366 B12R1.125 CC1CCCCN1CCC(=O)N 34a_100000211376_100000731001 [1,1,0,0,0,0|2,0,0]=4 1367 B12R1.125 CN1CCCCC1CCC(=O)O 269956a_100000694054_200000210301 [1,1,0,0,0,0|1,0,0]=3 1368 B12R1.125 CN1CCCCC1CCC(=O)[13CH3] 1458a_100000718493_200025704644 [1,1,0,0,0,0|2,0,0]=4 1369 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000747473 [1,1,0,0,0,0|2,0,0]=4 1370 B12R1.125 NC(=O)CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100000187820 [1,1,0,0,0,0|2,0,0]=4 1371 B12R1.125 NC(=O)COC1CCCCC1Cl 34a_100000038908_100000187820 [1,1,0,0,0,0|2,0,0]=4 1372 B12R1.125 NC(=O)COC1CCCCC1Cl 7a_100000038908_100000187820 [1,1,0,0,0,0|2,0,0]=4 1373 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100000187820 [1,1,0,0,0,0|2,0,0]=4 1374 B12R1.125 NC(=O)CO[C@@H]1CCCC[C@H]1F 7a_100009816020_100000187820 [1,1,0,0,0,0|2,0,0]=4 1375 B12R1.125 NC(=O)CO[C@H]1CCCC[C@H]1N 34a_100015191688_100000187820 [1,1,0,0,0,0|2,0,0]=4 1376 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100000747473_100015423560 [1,1,0,0,0,0|2,0,0]=4 1377 B12R1.125 NC(=O)CSC1CCCCC1F 62a_100015423560_100000747473 [1,1,0,0,0,0|2,0,0]=4 1378 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000038908_100000747473 [1,1,0,0,0,0|2,0,0]=4 1379 B12R1.125 NC(=O)CSC1CCCCC1O 62a_100000747473_100000038908 [1,1,0,0,0,0|2,0,0]=4 1380 B12R1.125 N[C@@H]1CCCC[C@@H]1OCC(=O)[O-] 34a_100015191688_100020667443 [1,1,0,0,0,0|1,0,1]=4 1381 B12R1.125 O=C(O)CNC1CCCCC1=O 269956a_100016091260_100000204591 [1,1,0,0,0,0|1,0,1]=4 1382 B12R1.125 O=C(O)CNC1CCCCC1F 269956a_100016091260_100015423560 [1,1,0,0,0,0|1,0,0]=3 1383 B12R1.125 O=C(O)CNC1CCCCC1O 269956a_100016091260_100000038908 [1,1,0,0,0,0|1,0,0]=3 1384 B12R1.125 O=C([O-])CN[C@@H]1CCCC[C@H]1F 34a_100015195156_100020667443 [1,1,0,0,0,0|1,0,1]=4 1385 B12R1.125 O=C([O-])COC1CCCCC1Cl 34a_100000038908_100020667443 [1,1,0,0,0,0|1,0,1]=4 1386 B12R1.125 O=C([O-])CO[C@@H]1CCCC[C@H]1F 34a_100009816020_100020667443 [1,1,0,0,0,0|1,0,1]=4 1387 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100015423560_100020667443 [1,1,0,0,0,0|1,0,1]=4 1388 B12R1.125 O=C([O-])CSC1CCCCC1F 62a_100020667443_100015423560 [1,1,0,0,0,0|1,0,1]=4 1389 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100000038908_100020667443 [1,1,0,0,0,0|1,0,1]=4 1390 B12R1.125 O=C([O-])CSC1CCCCC1O 62a_100020667443_100000038908 [1,1,0,0,0,0|1,0,1]=4 1391 B12R1.125 [13CH3]N1CCCCC1CCC(=O)O 269956a_100000694054_200025704644 [1,1,0,0,0,0|1,0,0]=3 1392 B12R1.226 CC(=O)CCC1CCCN(C1)C 1458a_100015186358_200000210301 [1,1,0,0,0,0|2,0,0]=4 1393 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_100000070787_100000766211 [1,1,0,0,0,0|2,0,0]=4 1394 B12R1.226 CC(=O)CCN1CCCC(C1)C 1458a_200000177587_200000210301 [1,1,0,0,0,0|2,0,0]=4 1395 B12R1.226 CC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000053229 [1,1,0,0,0,0|2,0,0]=4 1396 B12R1.226 CC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000053229 [1,1,0,0,0,0|2,0,0]=4 1397 B12R1.226 CC(=O)CCN1CCC[C@@H](C1)C 269982a_100000717927_100000053229 [1,1,0,0,0,0|2,0,0]=4 1398 B12R1.226 CC(=O)NCC1CCCC(C1)O 1626a_100011254705_100015343762 [1,1,0,0,0,0|2,0,0]=4 1399 B12R1.226 CC(=O)NCC1CCCC(C1)O 240690a_100011254705_100015343762 [1,1,0,0,0,0|2,0,0]=4 1400 B12R1.226 CC(=O)NCC1CCCC(C1)O 527a_100011254705_100103153847 [1,1,0,0,0,0|2,0,0]=4 1401 B12R1.226 CC1CCCC(C1)NCC(=O)N 2230a_100011194320_100000747473 [1,1,0,0,0,0|2,0,0]=4 1402 B12R1.226 CC1CCCC(C1)NCC(=O)N 34a_100011194320_100000187820 [1,1,0,0,0,0|2,0,0]=4 1403 B12R1.226 CC1CCCC(C1)NCC(=O)[O-] 34a_100011194320_100020667443 [1,1,0,0,0,0|1,0,1]=4 1404 B12R1.226 CC1CCCC(C1)OCC(=O)N 34a_100000211399_100000187820 [1,1,0,0,0,0|2,0,0]=4 1405 B12R1.226 CC1CCCC(C1)OCC(=O)[O-] 34a_100000211399_100020667443 [1,1,0,0,0,0|1,0,1]=4 1406 B12R1.226 CC1CCCN(C1)CCC(=O)[13CH3] 1458a_200000177587_200025704644 [1,1,0,0,0,0|2,0,0]=4 1407 B12R1.226 CN1CCCC(C1)CCC(=O)N 2230a_100011533967_200000210301 [1,1,0,0,0,0|2,0,0]=4 1408 B12R1.226 CN1CCCC(C1)CCC(=O)N 269982a_100011533967_200000210301 [1,1,0,0,0,0|2,0,0]=4 1409 B12R1.226 CN1CCCC(C1)CCC(=O)N 34a_100011533967_200000210301 [1,1,0,0,0,0|2,0,0]=4 1410 B12R1.226 CN1CCCC(C1)CCC(=O)[13CH3] 1458a_100015186358_200025704644 [1,1,0,0,0,0|2,0,0]=4 1411 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 2230a_100000717927_100000744528 [1,1,0,0,0,0|2,0,0]=4 1412 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 269982a_100000717927_100000744528 [1,1,0,0,0,0|2,0,0]=4 1413 B12R1.226 C[C@H]1CCCN(C1)CCC(=O)N 34a_100000717927_100000731001 [1,1,0,0,0,0|2,0,0]=4 1414 B12R1.226 NC(=O)CCN1CCCC(C1)F 2230a_100000697950_100000744528 [1,1,0,0,0,0|2,0,0]=4 1415 B12R1.226 NC(=O)CCN1CCCC(C1)F 269982a_100000697950_100000744528 [1,1,0,0,0,0|2,0,0]=4 1416 B12R1.226 NC(=O)CCN1CCCC(C1)F 34a_100000697950_100000731001 [1,1,0,0,0,0|2,0,0]=4 1417 B12R1.226 NC(=O)CCN1CCCC(C1)O 2230a_100000211013_100000744528 [1,1,0,0,0,0|2,0,0]=4 1418 B12R1.226 NC(=O)CCN1CCCC(C1)O 269982a_100000211013_100000744528 [1,1,0,0,0,0|2,0,0]=4 1419 B12R1.226 NC(=O)CNC1CCCC(C1)O 2230a_100015190357_100000747473 [1,1,0,0,0,0|2,0,0]=4 1420 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 2230a_100011533967_200025704644 [1,1,0,0,0,0|2,0,0]=4 1421 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 269982a_100011533967_200025704644 [1,1,0,0,0,0|2,0,0]=4 1422 B12R1.226 [13CH3]N1CCCC(C1)CCC(=O)N 34a_100011533967_200025704644 [1,1,0,0,0,0|2,0,0]=4 1423 B12R1.3110 CC(=O)NCC1(CCCCC1)C 11a_100000706052_100015343762 [1,1,0,0,0,0|2,0,0]=4 1424 B12R1.3110 CC(=O)NCC1(CCCCC1)C 1626a_100000706052_100015343762 [1,1,0,0,0,0|2,0,0]=4 1425 B12R1.3110 CC(=O)NCC1(CCCCC1)C 240690a_100000706052_100015343762 [1,1,0,0,0,0|2,0,0]=4 1426 B12R1.3110 CC(=O)NCC1(CCCCC1)C 527a_100000706052_100103153847 [1,1,0,0,0,0|2,0,0]=4 1427 B12R1.3110 CC(=O)NCC1(CCCCC1)O 11a_100000748649_100015343762 [1,1,0,0,0,0|2,0,0]=4 1428 B12R1.3110 CC(=O)NCC1(CCCCC1)O 1626a_100000748649_100015343762 [1,1,0,0,0,0|2,0,0]=4 1429 B12R1.3110 CC(=O)NCC1(CCCCC1)O 240690a_100000748649_100015343762 [1,1,0,0,0,0|2,0,0]=4 1430 B12R1.3110 CC(=O)NCC1(CCCCC1)O 527a_100000748649_100103153847 [1,1,0,0,0,0|2,0,0]=4 1431 B12R1.3110 CC1(CCCCC1)NCC(=O)N 2230a_100000741114_100000747473 [1,1,0,0,0,0|2,0,0]=4 1432 B12R1.3110 CC1(CCCCC1)NCC(=O)N 34a_100000741114_100000187820 [1,1,0,0,0,0|2,0,0]=4 1433 B12R1.3110 CC1(CCCCC1)NCC(=O)[O-] 34a_100000741114_100020667443 [1,1,0,0,0,0|1,0,1]=4 1434 B12R1.3110 CC1(CCCCC1)OCC(=O)N 34a_100011215885_100000187820 [1,1,0,0,0,0|2,0,0]=4 1435 B12R1.3110 CC1(CCCCC1)OCC(=O)N 7a_100011215885_100000187820 [1,1,0,0,0,0|2,0,0]=4 1436 B12R1.3110 CC1(CCCCC1)OCC(=O)[O-] 34a_100011215885_100020667443 [1,1,0,0,0,0|1,0,1]=4 1437 B12R1.108 COC(=O)C(C)CN1CCCC1 269982a_100000188435_100000698445 [0,1,0,0,1,0|2,0,0]=4 1438 B12R1.108 COC(=O)C(C)NC1CCCC1 2230a_100000211070_100000211248 [0,1,0,0,1,0|2,0,0]=4 1439 B12R1.108 COC(=O)C(C)NC1CCCC1 34a_100000211070_100000211248 [0,1,0,0,1,0|2,0,0]=4 1440 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100000210269_100000211248 [0,1,0,0,1,0|2,0,0]=4 1441 B12R1.108 COC(=O)C(C)OC1CCCC1 34a_100011215400_100000179811 [0,1,0,0,1,0|2,0,0]=4 1442 B12R1.108 COC(=O)C(C)OC1CCCC1 7a_100000210269_100000211248 [0,1,0,0,1,0|2,0,0]=4 1443 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100000211248_100000179811 [0,1,0,0,1,0|2,0,0]=4 1444 B12R1.108 COC(=O)C(C)SC1CCCC1 62a_100011217020_100000211248 [0,1,0,0,1,0|2,0,0]=4 1445 B12R1.120 CC(C(=O)O)N(C)C1CCCC1 269956a_100000749554_100000179811 [0,1,0,0,1,0|2,0,0]=4 1446 B12R1.145 C[C@H](N[C@@H]1CCC[C@H]1O)C(=O)O 269956a_100000743915_200016002552 [0,1,0,0,1,0|2,0,0]=4 1447 B12R1.298 C=C[C@H](NC1CCCC1)C(=O)O 269956a_100016992060_100000179811 [0,1,0,0,1,0|2,0,0]=4 1448 B12R1.298 CC[C@@H](NC1CCCC1)C(=O)O 269956a_100000747097_100000179811 [0,1,0,0,1,0|2,0,0]=4 1449 B12R1.298 O=C(O)C(CO)NC1CCCC1 269956a_100000187304_100000179811 [0,1,0,0,1,0|2,0,0]=4 1450 B12R1.478 CNC(C(=O)O)C1CCCCC1 269956a_100000742913_200000210301 [0,1,0,0,1,0|0,0,0]=2 1451 B12R1.478 CNC(C(=O)O)C1CCOCC1 269956a_100016988913_200000210301 [0,1,0,0,1,0|1,0,0]=3 1452 B12R1.478 [13CH3]NC(C(=O)O)C1CCCCC1 269956a_100000742913_200025704644 [0,1,0,0,1,0|0,0,0]=2 1453 B12R1.478 [13CH3]NC(C(=O)O)C1CCOCC1 269956a_100016988913_200025704644 [0,1,0,0,1,0|1,0,0]=3 1454 B14R1.425 CC(C(=O)O)N(C)CC1CCCCC1 269956a_100000749554_100000211423 [0,1,0,0,0,1|2,0,0]=4 1455 B14R1.549 CC(=O)N[C@H](CO)CC1CCCCC1 240690a_100015184289_100015343762 [0,1,0,0,0,1|2,0,0]=4 1456 B14R1.549 CC(=O)N[C@H](CO)CC1CCCCC1 527a_100015184289_100103153847 [0,1,0,0,0,1|2,0,0]=4 1457 B14R1.549 CCN(CC(=O)O)CC1CCCCC1 269956a_100000746405_100000211423 [0,1,0,0,0,1|2,0,0]=4 1458 B14R1.549 CC[C@H](CC(=O)O)NC1CCCCC1 269956a_100016995926_100000210327 [0,1,0,0,0,1|2,0,0]=4 1459 B14R1.549 O=C(O)C[C@@H](CO)NC1CCCCC1 269956a_100009816507_100000210327 [0,1,0,0,0,1|2,0,0]=4 1460 B14R1.743 CC(CN1CCCCC1)NC(=O)CO 240690a_100000738326_100000210174 [0,1,0,0,0,1|2,0,0]=4 1461 B14R1.743 CC(CN1CCCCC1)NC(=O)CO 527a_100000738326_100000210174 [0,1,0,0,0,1|2,0,0]=4 1462 B14R1.743 COC(=O)CC(=O)CC1CCCCC1 1458a_100000211351_100000211423 [0,1,0,0,0,1|1,0,1]=4 1463 B14R1.743 COC(=O)CC(=O)CC1CCCCC1 1458a_100000211666_100000747449 [0,1,0,0,0,1|1,0,1]=4 1464 B14R1.743 COC(=O)CC(C)NC1CCCCC1 2230a_100000182618_100009817358 [0,1,0,0,0,1|2,0,0]=4 1465 B14R1.743 COC(=O)CC(C)NC1CCCCC1 34a_100000182618_100009817358 [0,1,0,0,0,1|2,0,0]=4 1466 B14R1.743 COC(=O)CC(C)OC1CCCCC1 34a_100000210231_100009817358 [0,1,0,0,0,1|2,0,0]=4 1467 B14R1.743 COC(=O)CC(C)OC1CCCCC1 7a_100000210231_100009817358 [0,1,0,0,0,1|2,0,0]=4 1468 B14R1.743 COC(=O)CC(C)SC1CCCCC1 62a_100000210327_100009817358 [0,1,0,0,0,1|2,0,0]=4 1469 B14R1.743 COC(=O)CC(C)SC1CCCCC1 62a_100009817358_100000210327 [0,1,0,0,0,1|2,0,0]=4 1470 B14R1.743 COC(=O)CN(C)CC1CCCCC1 2230a_100000198492_100000211423 [0,1,0,0,0,1|2,0,0]=4 1471 B14R1.743 COC(=O)CN(C)CC1CCCCC1 2230a_100000736448_100000747449 [0,1,0,0,0,1|2,0,0]=4 1472 B14R1.743 COC(=O)CN(C)CC1CCCCC1 269982a_100000736448_100000747449 [0,1,0,0,0,1|2,0,0]=4 1473 B14R1.743 COC(=O)CN(C)CC1CCCCC1 34a_100000736448_100000747449 [0,1,0,0,0,1|2,0,0]=4 1474 B14R1.1485 CC(C)(CC(=O)O)NC1CCCCC1 269956a_100000755897_100000210327 [0,1,0,0,0,1|2,0,0]=4 1475 B14R1.161 CC(=O)C(C)COC1CCCCC1F 34a_100000032740_100015423560 [0,1,0,0,0,1|2,0,0]=4 1476 B14R1.161 CC(=O)C(C)COC1CCCCC1O 34a_100000032740_100000038908 [0,1,0,0,0,1|2,0,0]=4 1477 B14R1.161 CC(CNC1CCCCC1=O)C(=O)O 269956a_100000749485_100000204591 [0,1,0,0,0,1|1,0,1]=4 1478 B14R1.161 CC(CNC1CCCCC1F)C(=O)O 269956a_100000749485_100015423560 [0,1,0,0,0,1|1,0,0]=3 1479 B14R1.161 CC(CNC1CCCCC1O)C(=O)O 269956a_100000749485_100000038908 [0,1,0,0,0,1|1,0,0]=3 1480 B14R1.161 CC(NCC1CCCCC1O)C(=O)N 34a_100011216029_100000702099 [0,1,0,0,0,1|2,0,0]=4 1481 B14R1.161 C[C@H](NCC1CCCCN1C)C(=O)O 269956a_100000743915_100015185383 [0,1,0,0,0,1|2,0,0]=4 1482 B14R1.161 NC(=O)C(F)NCC1CCCCC1O 34a_100011216029_100009813875 [0,1,0,0,0,1|2,0,0]=4 1483 B14R1.161 NC(=O)[C@@H](N)COC1CCCCC1=O 34a_100000729942_100000754470 [0,1,0,0,0,1|1,0,1]=4 1484 B14R1.161 NC(=O)[C@@H](N)COC1CCCCC1F 34a_100000729942_100015423560 [0,1,0,0,0,1|1,0,0]=3 1485 B14R1.161 NC(=O)[C@@H](N)COC1CCCCC1O 34a_100000729942_100000038908 [0,1,0,0,0,1|1,0,0]=3 1486 B14R1.161 O=C(O)C(F)CNC1CCCCC1=O 269956a_100000084737_100000204591 [0,1,0,0,0,1|1,0,1]=4 1487 B14R1.161 O=C(O)C(F)CNC1CCCCC1F 269956a_100000084737_100015423560 [0,1,0,0,0,1|1,0,0]=3 1488 B14R1.161 O=C(O)C(F)CNC1CCCCC1O 269956a_100000084737_100000038908 [0,1,0,0,0,1|1,0,0]=3 1489 B14R1.161 O=C([O-])C(F)NCC1CCCCC1O 34a_100011216029_100020610796 [0,1,0,0,0,1|1,0,1]=4 1490 B14R1.415 CC(=O)C(C)N[C@H](C)C1CCCCC1 2230a_100025707633_100009814033 [0,1,0,0,0,1|2,0,0]=4 1491 B14R1.415 CC(=O)C(C)OC(C)C1CCCCC1 7a_100011216961_100000179758 [0,1,0,0,0,1|2,0,0]=4 1492 B14R1.415 CC(N[C@H](C)C1CCCCC1)C(=O)N 2230a_100025707633_100000702099 [0,1,0,0,0,1|2,0,0]=4 1493 B14R1.415 CC(N[C@H](C)C1CCCCC1)C(=O)N 34a_100025707633_100000702099 [0,1,0,0,0,1|2,0,0]=4 1494 B14R1.415 CC(OC(C)C1CCCCC1)C(=O)N 34a_100011216961_100000702099 [0,1,0,0,0,1|2,0,0]=4 1495 B14R1.415 CC(OC(C)C1CCCCC1)C(=O)N 7a_100011216961_100000702099 [0,1,0,0,0,1|2,0,0]=4 1496 B14R1.415 CC(OC(F)C(=O)N)C1CCCCC1 34a_100011216961_100009813875 [0,1,0,0,0,1|2,0,0]=4 1497 B14R1.415 CC(OC(F)C(=O)N)C1CCCCC1 7a_100011216961_100009813875 [0,1,0,0,0,1|2,0,0]=4 1498 B14R1.415 CC(OC(F)C(=O)[O-])C1CCCCC1 34a_100011216961_100020610796 [0,1,0,0,0,1|1,0,1]=4 1499 B14R1.415 C[C@@H](NC(F)C(=O)N)C1CCCCC1 2230a_100025707633_100009813875 [0,1,0,0,0,1|2,0,0]=4 1500 B14R1.415 C[C@@H](NC(F)C(=O)N)C1CCCCC1 34a_100025707633_100009813875 [0,1,0,0,0,1|2,0,0]=4 1501 B14R1.415 C[C@@H](NC(F)C(=O)[O-])C1CCCCC1 34a_100025707633_100020610796 [0,1,0,0,0,1|1,0,1]=4 1502 B14R1.679 CC(=O)C(C)COC1CCC(CC1)C 34a_100000032740_200011216234 [0,1,0,0,0,1|2,0,0]=4 1503 B14R1.679 CC(=O)C(C)NCC1CCC(CC1)C 2230a_103436935547_100009814033 [0,1,0,0,0,1|2,0,0]=4 1504 B14R1.679 CC(CNC1CCN(CC1)C)C(=O)O 269956a_100000749485_100011215917 [0,1,0,0,0,1|2,0,0]=4 1505 B14R1.679 CC(OC[C@H]1CC[C@@H](CC1)N)C(=O)N 34a_100009821084_100000702099 [0,1,0,0,0,1|2,0,0]=4 1506 B14R1.679 CC1CCC(CC1)CNC(C)C(=O)N 2230a_103436935547_100000702099 [0,1,0,0,0,1|2,0,0]=4 1507 B14R1.679 CC1CCC(CC1)CNC(C)C(=O)N 34a_103436935547_100000702099 [0,1,0,0,0,1|2,0,0]=4 1508 B14R1.679 CC1CCC(CC1)CNC(F)C(=O)N 2230a_103436935547_100009813875 [0,1,0,0,0,1|2,0,0]=4 1509 B14R1.679 CC1CCC(CC1)CNC(F)C(=O)N 34a_103436935547_100009813875 [0,1,0,0,0,1|2,0,0]=4 1510 B14R1.679 CC1CCC(CC1)CNC(F)C(=O)[O-] 34a_103436935547_100020610796 [0,1,0,0,0,1|1,0,1]=4 1511 B14R1.679 CC1CCC(CC1)COC(C)C(=O)N 34a_100000701341_100000702099 [0,1,0,0,0,1|2,0,0]=4 1512 B14R1.679 CC1CCC(CC1)COC(F)C(=O)N 34a_100000701341_100009813875 [0,1,0,0,0,1|2,0,0]=4 1513 B14R1.679 CC1CCC(CC1)COC(F)C(=O)[O-] 34a_100000701341_100020610796 [0,1,0,0,0,1|1,0,1]=4 1514 B14R1.679 CC1CCC(CC1)NCC(C)C(=O)O 269956a_100000749485_200011216234 [0,1,0,0,0,1|1,0,0]=3 1515 B14R1.679 CC1CCC(CC1)NCC(F)C(=O)O 269956a_100000084737_200011216234 [0,1,0,0,0,1|1,0,0]=3 1516 B14R1.679 CC1CCC(CC1)OC[C@H](N)C(=O)N 34a_100000729942_200011216234 [0,1,0,0,0,1|1,0,0]=3 1517 B14R1.679 CN1CCC(CC1)NCC(F)C(=O)O 269956a_100000084737_100011215917 [0,1,0,0,0,1|2,0,0]=4 1518 B14R1.679 C[C@H](NCC1CCN(CC1)C)C(=O)O 269956a_100000743915_100015183002 [0,1,0,0,0,1|2,0,0]=4 1519 B14R1.679 NC(=O)C(F)OC[C@H]1CC[C@@H](CC1)N 34a_100009821084_100009813875 [0,1,0,0,0,1|2,0,0]=4 1520 B14R1.679 N[C@H]1CC[C@@H](CC1)COC(F)C(=O)[O-] 34a_100009821084_100020610796 [0,1,0,0,0,1|1,0,1]=4 1521 B14R1.756 C=C(CNC1CCCCC1)C(=O)OC 34a_100000182618_100009813391 [0,1,0,0,0,1|1,0,1]=4 1522 B14R1.756 C=C(COC1CCCCC1)C(=O)OC 34a_100000210231_100009813391 [0,1,0,0,0,1|1,0,1]=4 1523 B14R1.756 C=C(CSC1CCCCC1)C(=O)OC 62a_100000210327_100009813391 [0,1,0,0,0,1|1,0,1]=4 1524 B14R1.756 C=C(CSC1CCCCC1)C(=O)OC 62a_100009813391_100000210327 [0,1,0,0,0,1|1,0,1]=4 1525 B14R1.756 CC(OCC1CCCCC1)C(=O)NN 34a_100000725659_100000211423 [0,1,0,0,0,1|2,0,0]=4 1526 B14R1.756 CCC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100000742827 [0,1,0,0,0,1|2,0,0]=4 1527 B14R1.756 CCC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000742827 [0,1,0,0,0,1|2,0,0]=4 1528 B14R1.756 CCC(=O)C(C)SCC1CCCCC1 62a_100000211423_100000742827 [0,1,0,0,0,1|2,0,0]=4 1529 B14R1.756 CCC(=O)C(C)SCC1CCCCC1 62a_100000742827_100000211423 [0,1,0,0,0,1|2,0,0]=4 1530 B14R1.756 CNC(=O)C(C)CNC1CCCCC1 270004a_100015187722_100000210434 [0,1,0,0,0,1|2,0,0]=4 1531 B14R1.756 CNC(=O)C(C)CNC1CCCCC1 34a_100015187722_100000210327 [0,1,0,0,0,1|2,0,0]=4 1532 B14R1.756 CNC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100000731044 [0,1,0,0,0,1|2,0,0]=4 1533 B14R1.756 CNC(=O)C(C)NCC1CCCCC1 34a_100000210473_100000731044 [0,1,0,0,0,1|2,0,0]=4 1534 B14R1.756 CNC(=O)C(C)OCC1CCCCC1 34a_100000212181_100000731044 [0,1,0,0,0,1|2,0,0]=4 1535 B14R1.756 CNC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000209862 [0,1,0,0,0,1|2,0,0]=4 1536 B14R1.756 CNC(=O)C(C)SCC1CCCCC1 62a_100000209862_100000211423 [0,1,0,0,0,1|2,0,0]=4 1537 B14R1.756 CNC(=O)C(C)SCC1CCCCC1 62a_100000211423_100000731044 [0,1,0,0,0,1|2,0,0]=4 1538 B14R1.756 CNC(=O)C(F)NCC1CCCCC1 2230a_100000210473_100009813575 [0,1,0,0,0,1|2,0,0]=4 1539 B14R1.756 CNC(=O)C(F)NCC1CCCCC1 34a_100000210473_100009813575 [0,1,0,0,0,1|2,0,0]=4 1540 B14R1.756 CNC(=O)C(F)OCC1CCCCC1 34a_100000212181_100009813575 [0,1,0,0,0,1|2,0,0]=4 1541 B14R1.756 CNC(=O)C(F)OCC1CCCCC1 7a_100000212181_100009813575 [0,1,0,0,0,1|2,0,0]=4 1542 B14R1.756 CNC(=O)C(F)SCC1CCCCC1 62a_100000211423_100009813575 [0,1,0,0,0,1|2,0,0]=4 1543 B14R1.756 CNC(=O)C(F)SCC1CCCCC1 62a_100009813575_100000211423 [0,1,0,0,0,1|2,0,0]=4 1544 B14R1.756 CNC(=O)[C@@H](C)NCC1CCCCC1 2230a_100000684985_100000211423 [0,1,0,0,0,1|2,0,0]=4 1545 B14R1.756 CNC(=O)[C@@H](C)NCC1CCCCC1 34a_100000684985_100000211423 [0,1,0,0,0,1|2,0,0]=4 1546 B14R1.756 COC(=O)C(=O)CNC1CCCCC1 34a_100000182618_100011610305 [0,1,0,0,0,1|1,0,1]=4 1547 B14R1.756 COC(=O)C(=O)COC1CCCCC1 34a_100000210231_100011610305 [0,1,0,0,0,1|1,0,1]=4 1548 B14R1.756 COC(=O)C(=O)CSC1CCCCC1 62a_100000210327_100011610305 [0,1,0,0,0,1|1,0,1]=4 1549 B14R1.756 COC(=O)C(=O)CSC1CCCCC1 62a_100011610305_100000210327 [0,1,0,0,0,1|1,0,1]=4 1550 B14R1.756 COC(=O)C(=O)NCC1CCCCC1 11a_100000210473_100000024059 [0,1,0,0,0,1|1,0,1]=4 1551 B14R1.756 COC(=O)C(=O)NCC1CCCCC1 1626a_100000210473_100000024059 [0,1,0,0,0,1|1,0,1]=4 1552 B14R1.756 COC(=O)C(=O)NCC1CCCCC1 240690a_100000210473_100000024059 [0,1,0,0,0,1|1,0,1]=4 1553 B14R1.756 COC(=O)C(=O)NCC1CCCCC1 527a_100000210473_100000024059 [0,1,0,0,0,1|1,0,1]=4 1554 B14R1.756 COC(=O)C(C)CNC1CCCCC1 34a_100000182618_100000698445 [0,1,0,0,0,1|1,0,0]=3 1555 B14R1.756 COC(=O)C(C)CNC1CCCOC1 34a_100000719290_100000698445 [0,1,0,0,0,1|2,0,0]=4 1556 B14R1.756 COC(=O)C(C)CNC1CCOCC1 34a_100000741149_100000698445 [0,1,0,0,0,1|2,0,0]=4 1557 B14R1.756 COC(=O)C(C)CNC1CCSCC1 34a_100000748639_100000698445 [0,1,0,0,0,1|2,0,0]=4 1558 B14R1.756 COC(=O)C(C)COC1CCCCC1 34a_100000210231_100000698445 [0,1,0,0,0,1|1,0,0]=3 1559 B14R1.756 COC(=O)C(C)COC1CCCCC1 34a_100000749362_100000210327 [0,1,0,0,0,1|1,0,0]=3 1560 B14R1.756 COC(=O)C(C)COC1CCCCC1 7a_100000749362_100000210327 [0,1,0,0,0,1|1,0,0]=3 1561 B14R1.756 COC(=O)C(C)COC1CCCCO1 34a_100000033831_100000698445 [0,1,0,0,0,1|2,0,0]=4 1562 B14R1.756 COC(=O)C(C)COC1CCCOC1 34a_100000749362_100000693364 [0,1,0,0,0,1|2,0,0]=4 1563 B14R1.756 COC(=O)C(C)COC1CCCOC1 34a_100000754041_100000698445 [0,1,0,0,0,1|2,0,0]=4 1564 B14R1.756 COC(=O)C(C)COC1CCCOC1 7a_100000749362_100000693364 [0,1,0,0,0,1|2,0,0]=4 1565 B14R1.756 COC(=O)C(C)COC1CCOCC1 34a_100000744328_100000698445 [0,1,0,0,0,1|2,0,0]=4 1566 B14R1.756 COC(=O)C(C)COC1CCOCC1 7a_100000749362_100000686592 [0,1,0,0,0,1|2,0,0]=4 1567 B14R1.756 COC(=O)C(C)COC1CCSCC1 34a_100000731022_100000698445 [0,1,0,0,0,1|2,0,0]=4 1568 B14R1.756 COC(=O)C(C)COC1CCSCC1 34a_100000749362_100000069128 [0,1,0,0,0,1|2,0,0]=4 1569 B14R1.756 COC(=O)C(C)COC1CCSCC1 7a_100000749362_100011500858 [0,1,0,0,0,1|2,0,0]=4 1570 B14R1.756 COC(=O)C(C)CSC1CCCCC1 62a_100000210327_100000698445 [0,1,0,0,0,1|1,0,0]=3 1571 B14R1.756 COC(=O)C(C)CSC1CCCCC1 62a_100000698445_100000210327 [0,1,0,0,0,1|1,0,0]=3 1572 B14R1.756 COC(=O)C(C)CSC1CCCOC1 62a_100000698445_100000693364 [0,1,0,0,0,1|2,0,0]=4 1573 B14R1.756 COC(=O)C(C)CSC1CCOCC1 62a_100000698445_100011324220 [0,1,0,0,0,1|2,0,0]=4 1574 B14R1.756 COC(=O)C(C)CSC1CCSCC1 62a_100000698445_100000069128 [0,1,0,0,0,1|2,0,0]=4 1575 B14R1.756 COC(=O)C(C)NCC1CCCCC1 2230a_100000210473_100000211248 [0,1,0,0,0,1|1,0,0]=3 1576 B14R1.756 COC(=O)C(C)NCC1CCCCC1 34a_100000210473_100000211248 [0,1,0,0,0,1|1,0,0]=3 1577 B14R1.756 COC(=O)C(C)NCC1CCCCO1 2230a_100000174945_100000211248 [0,1,0,0,0,1|2,0,0]=4 1578 B14R1.756 COC(=O)C(C)NCC1CCCCO1 34a_100000174945_100000211248 [0,1,0,0,0,1|2,0,0]=4 1579 B14R1.756 COC(=O)C(C)NCC1CCCOC1 2230a_100000720124_100000211248 [0,1,0,0,0,1|2,0,0]=4 1580 B14R1.756 COC(=O)C(C)NCC1CCCOC1 34a_100000720124_100000211248 [0,1,0,0,0,1|2,0,0]=4 1581 B14R1.756 COC(=O)C(C)NCC1CCOCC1 2230a_100000746373_100000211248 [0,1,0,0,0,1|2,0,0]=4 1582 B14R1.756 COC(=O)C(C)NCC1CCOCC1 34a_100000746373_100000211248 [0,1,0,0,0,1|2,0,0]=4 1583 B14R1.756 COC(=O)C(C)NCC1CCSCC1 2230a_100015188806_100000211248 [0,1,0,0,0,1|2,0,0]=4 1584 B14R1.756 COC(=O)C(C)NCC1CCSCC1 34a_100015188806_100000211248 [0,1,0,0,0,1|2,0,0]=4 1585 B14R1.756 COC(=O)C(C)OCC1CCCCC1 34a_100000212181_100000211248 [0,1,0,0,0,1|1,0,0]=3 1586 B14R1.756 COC(=O)C(C)OCC1CCCCC1 34a_100011215400_100000211423 [0,1,0,0,0,1|1,0,0]=3 1587 B14R1.756 COC(=O)C(C)OCC1CCCCC1 7a_100000212181_100000211248 [0,1,0,0,0,1|1,0,0]=3 1588 B14R1.756 COC(=O)C(C)OCC1CCCCN1 34a_100000210821_100000211248 [0,1,0,0,0,1|2,0,0]=4 1589 B14R1.756 COC(=O)C(C)OCC1CCCCO1 34a_100000211370_100000211248 [0,1,0,0,0,1|2,0,0]=4 1590 B14R1.756 COC(=O)C(C)OCC1CCCCO1 34a_100011215400_100000211543 [0,1,0,0,0,1|2,0,0]=4 1591 B14R1.756 COC(=O)C(C)OCC1CCCCO1 7a_100000211370_100000211248 [0,1,0,0,0,1|2,0,0]=4 1592 B14R1.756 COC(=O)C(C)OCC1CCCNC1 34a_100000211344_100000211248 [0,1,0,0,0,1|2,0,0]=4 1593 B14R1.756 COC(=O)C(C)OCC1CCCOC1 34a_100000741520_100000211248 [0,1,0,0,0,1|2,0,0]=4 1594 B14R1.756 COC(=O)C(C)OCC1CCCOC1 34a_100011215400_100000741521 [0,1,0,0,0,1|2,0,0]=4 1595 B14R1.756 COC(=O)C(C)OCC1CCNCC1 34a_100000738675_100000211248 [0,1,0,0,0,1|2,0,0]=4 1596 B14R1.756 COC(=O)C(C)OCC1CCOCC1 34a_100000749013_100000211248 [0,1,0,0,0,1|2,0,0]=4 1597 B14R1.756 COC(=O)C(C)OCC1CCOCC1 34a_100011215400_100000754603 [0,1,0,0,0,1|2,0,0]=4 1598 B14R1.756 COC(=O)C(C)OCC1CCSCC1 34a_100000070558_100000211248 [0,1,0,0,0,1|2,0,0]=4 1599 B14R1.756 COC(=O)C(C)OCC1CCSCC1 7a_100000070558_100000211248 [0,1,0,0,0,1|2,0,0]=4 1600 B14R1.756 COC(=O)C(C)SCC1CCCCC1 62a_100000211248_100000211423 [0,1,0,0,0,1|1,0,0]=3 1601 B14R1.756 COC(=O)C(C)SCC1CCCCC1 62a_100000211423_100000211248 [0,1,0,0,0,1|1,0,0]=3 1602 B14R1.756 COC(=O)C(C)SCC1CCCCO1 62a_100000211248_100000211543 [0,1,0,0,0,1|2,0,0]=4 1603 B14R1.756 COC(=O)C(C)SCC1CCCCO1 62a_100000211543_100000211248 [0,1,0,0,0,1|2,0,0]=4 1604 B14R1.756 COC(=O)C(C)SCC1CCCOC1 62a_100000211248_100000741521 [0,1,0,0,0,1|2,0,0]=4 1605 B14R1.756 COC(=O)C(C)SCC1CCCOC1 62a_100000741521_100000211248 [0,1,0,0,0,1|2,0,0]=4 1606 B14R1.756 COC(=O)C(C)SCC1CCOCC1 62a_100000211248_100000749018 [0,1,0,0,0,1|2,0,0]=4 1607 B14R1.756 COC(=O)C(C)SCC1CCOCC1 62a_100000754603_100000211248 [0,1,0,0,0,1|2,0,0]=4 1608 B14R1.756 COC(=O)C(F)COC1CCCCC1 34a_200009849844_100000210327 [0,1,0,0,0,1|1,0,0]=3 1609 B14R1.756 COC(=O)C(F)COC1CCCOC1 34a_200009849844_100000693364 [0,1,0,0,0,1|2,0,0]=4 1610 B14R1.756 COC(=O)C(F)COC1CCSCC1 34a_200009849844_100000069128 [0,1,0,0,0,1|2,0,0]=4 1611 B14R1.756 COC(=O)[C@H](N)COC1CCCCC1 34a_100000003586_100000210327 [0,1,0,0,0,1|0,0,0]=2 1612 B14R1.756 COC(=O)[C@H](N)COC1CCCOC1 34a_100000003586_100000693364 [0,1,0,0,0,1|1,0,0]=3 1613 B14R1.756 COC(=O)[C@H](N)COC1CCSCC1 34a_100000003586_100000069128 [0,1,0,0,0,1|1,0,0]=3 1614 B14R1.756 NNC(=O)C(N)COC1CCCCC1 34a_100016989258_100000210327 [0,1,0,0,0,1|1,0,0]=3 1615 B14R1.756 NNC(=O)C(N)COC1CCCOC1 34a_100016989258_100000693364 [0,1,0,0,0,1|2,0,0]=4 1616 B14R1.756 NNC(=O)C(N)COC1CCSCC1 34a_100016989258_100000069128 [0,1,0,0,0,1|2,0,0]=4 1617 B14R1.4194 C=C[C@H](NCC1CCCCC1)C(=O)O 269956a_100016992060_100000211423 [0,1,0,0,0,1|1,0,0]=3 1618 B14R1.4194 C=C[C@H](NCC1CCCCO1)C(=O)O 269956a_100016992060_100000211543 [0,1,0,0,0,1|2,0,0]=4 1619 B14R1.4194 C=C[C@H](NCC1CCCOC1)C(=O)O 269956a_100016992060_100000741521 [0,1,0,0,0,1|2,0,0]=4 1620 B14R1.4194 C=C[C@H](NCC1CCOCC1)C(=O)O 269956a_100016992060_100000754603 [0,1,0,0,0,1|2,0,0]=4 1621 B14R1.4194 CCC(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000750255 [0,1,0,0,0,1|2,0,0]=4 1622 B14R1.4194 CCC(NCC1CCCCC1)C(=O)N 2230a_100000733705_100000211423 [0,1,0,0,0,1|2,0,0]=4 1623 B14R1.4194 CCC(NCC1CCCCC1)C(=O)N 34a_100000210473_100000750255 [0,1,0,0,0,1|2,0,0]=4 1624 B14R1.4194 CCC(NCC1CCCCC1)C(=O)N 34a_100000733705_100000211423 [0,1,0,0,0,1|2,0,0]=4 1625 B14R1.4194 CCC(OCC1CCCCC1)C(=O)N 34a_100000212181_100000750255 [0,1,0,0,0,1|2,0,0]=4 1626 B14R1.4194 CCC(OCC1CCCCC1)C(=O)N 7a_100000212181_100000750255 [0,1,0,0,0,1|2,0,0]=4 1627 B14R1.4194 CCC(SCC1CCCCC1)C(=O)N 62a_100000211423_100000750255 [0,1,0,0,0,1|2,0,0]=4 1628 B14R1.4194 CCC(SCC1CCCCC1)C(=O)N 62a_100000750255_100000211423 [0,1,0,0,0,1|2,0,0]=4 1629 B14R1.4194 CC[C@@H](NCC1CCCCC1)C(=O)O 269956a_100000747097_100000211423 [0,1,0,0,0,1|1,0,0]=3 1630 B14R1.4194 CC[C@@H](NCC1CCCCO1)C(=O)O 269956a_100000747097_100000211543 [0,1,0,0,0,1|2,0,0]=4 1631 B14R1.4194 CC[C@@H](NCC1CCCOC1)C(=O)O 269956a_100000747097_100000741521 [0,1,0,0,0,1|2,0,0]=4 1632 B14R1.4194 CC[C@@H](NCC1CCOCC1)C(=O)O 269956a_100000747097_100000754603 [0,1,0,0,0,1|2,0,0]=4 1633 B14R1.4194 N#CC(NCC1CCCCC1)C(=O)N 2230a_100000039599_100000211423 [0,1,0,0,0,1|1,0,1]=4 1634 B14R1.4194 NC(=O)[C@H](CO)NCC1CCCCC1 2230a_100000729942_100000211423 [0,1,0,0,0,1|2,0,0]=4 1635 B14R1.4194 NC(=O)[C@H](CO)NCC1CCCCC1 34a_100000729942_100000211423 [0,1,0,0,0,1|2,0,0]=4 1636 B14R1.4194 O=C(O)C(CO)NCC1CCCCC1 269956a_100000187304_100000211423 [0,1,0,0,0,1|1,0,0]=3 1637 B14R1.4194 O=C(O)C(CO)NCC1CCCCO1 269956a_100000187304_100000211543 [0,1,0,0,0,1|2,0,0]=4 1638 B14R1.4194 O=C(O)C(CO)NCC1CCCOC1 269956a_100000187304_100000741521 [0,1,0,0,0,1|2,0,0]=4 1639 B14R1.4194 O=C(O)C(CO)NCC1CCOCC1 269956a_100000187304_100000754603 [0,1,0,0,0,1|2,0,0]=4 1640 B14R1.5956 CC(=O)C(C)NCC1CCCC(C1)O 2230a_100011254705_100009814033 [0,1,0,0,0,1|2,0,0]=4 1641 B14R1.5956 CC(NCC1CCCC(C1)O)C(=O)N 2230a_100011254705_100000702099 [0,1,0,0,0,1|2,0,0]=4 1642 B14R1.5956 C[C@H](NCC1CCCN(C1)C)C(=O)O 269956a_100000743915_100000752043 [0,1,0,0,0,1|2,0,0]=4 1643 B14R1.5956 NC(=O)C(F)NCC1CCCC(C1)O 2230a_100011254705_100009813875 [0,1,0,0,0,1|2,0,0]=4 1644 B14R1.6395 CC(=O)C(C)(C)OCC1CCCCC1 34a_100000747739_100000211423 [0,1,0,0,0,1|2,0,0]=4 1645 B14R1.6395 CC(=O)C(C)(C)OCC1CCCCC1 7a_100000212181_100000075568 [0,1,0,0,0,1|2,0,0]=4 1646 B14R1.6395 CC(=O)C(C)(C)OCC1CCCCC1 7a_100000747739_100000211423 [0,1,0,0,0,1|2,0,0]=4 1647 B14R1.6395 CC(=O)C(C)(C)SCC1CCCCC1 62a_100000075568_100000211423 [0,1,0,0,0,1|2,0,0]=4 1648 B14R1.6395 CC(=O)C(C)(C)SCC1CCCCC1 62a_100000211423_100000075568 [0,1,0,0,0,1|2,0,0]=4 1649 B14R1.6395 CC(C)(CNC1CCCCC1)C(=O)N 270004a_100000740840_100000210434 [0,1,0,0,0,1|2,0,0]=4 1650 B14R1.6395 CC(C)(CNC1CCCCC1)C(=O)N 34a_100000182618_200009895572 [0,1,0,0,0,1|2,0,0]=4 1651 B14R1.6395 CC(C)(CNC1CCCCC1)C(=O)N 34a_100000740840_100000210327 [0,1,0,0,0,1|2,0,0]=4 1652 B14R1.6395 CC(C)(CNC1CCCCC1)C(=O)O 269956a_100000693527_100000210327 [0,1,0,0,0,1|1,0,0]=3 1653 B14R1.6395 CC(C)(CNC1CCCOC1)C(=O)O 269956a_100000693527_100000693364 [0,1,0,0,0,1|2,0,0]=4 1654 B14R1.6395 CC(C)(CNC1CCOCC1)C(=O)O 269956a_100000693527_100011324220 [0,1,0,0,0,1|2,0,0]=4 1655 B14R1.6395 CC(C)(CNC1CCSCC1)C(=O)O 269956a_100000693527_100000069128 [0,1,0,0,0,1|2,0,0]=4 1656 B14R1.6395 CC(C)(COC1CCCCC1)C(=O)N 34a_100000210231_200009895572 [0,1,0,0,0,1|2,0,0]=4 1657 B14R1.6395 CC(C)(CSC1CCCCC1)C(=O)N 62a_100000210327_200009895572 [0,1,0,0,0,1|2,0,0]=4 1658 B14R1.6395 CC(C)(CSC1CCCCC1)C(=O)N 62a_200009895572_100000210327 [0,1,0,0,0,1|2,0,0]=4 1659 B14R1.6395 CC(C)(NCC1CCCCC1)C(=O)N 2230a_100000210473_100000702505 [0,1,0,0,0,1|2,0,0]=4 1660 B14R1.6395 CC(C)(NCC1CCCCC1)C(=O)N 2230a_100000743658_100000211423 [0,1,0,0,0,1|2,0,0]=4 1661 B14R1.6395 CC(C)(NCC1CCCCC1)C(=O)N 34a_100000210473_100000702505 [0,1,0,0,0,1|2,0,0]=4 1662 B14R1.6395 CC(C)(NCC1CCCCC1)C(=O)N 34a_100000743658_100000211423 [0,1,0,0,0,1|2,0,0]=4 1663 B14R1.6395 CC(C)(OCC1CCCCC1)C(=O)N 34a_100000212181_100000702505 [0,1,0,0,0,1|2,0,0]=4 1664 B14R1.6395 CC(C)(OCC1CCCCC1)C(=O)N 34a_100011626353_100000211423 [0,1,0,0,0,1|2,0,0]=4 1665 B14R1.6395 CC(C)(OCC1CCCCC1)C(=O)N 7a_100000212181_100000702505 [0,1,0,0,0,1|2,0,0]=4 1666 B14R1.6395 CC(C)(OCC1CCCCC1)C(=O)N 7a_100011626353_100000211423 [0,1,0,0,0,1|2,0,0]=4 1667 B14R1.6395 CC(C)(ONC1CCCCC1)C(=O)O 269956a_100016989451_100000210327 [0,1,0,0,0,1|2,0,0]=4 1668 B14R1.6395 CC(C)(SCC1CCCCC1)C(=O)N 62a_100000211423_100000702505 [0,1,0,0,0,1|2,0,0]=4 1669 B14R1.6395 CC(C)(SCC1CCCCC1)C(=O)N 62a_100000702505_100000211423 [0,1,0,0,0,1|2,0,0]=4 1670 B14R1.6395 NC(=O)C(F)(F)OCC1CCCCC1 7a_100000212181_100009811971 [0,1,0,0,0,1|2,0,0]=4 1671 B14R1.6395 NC(=O)C(F)(F)SCC1CCCCC1 62a_100000211423_100009811971 [0,1,0,0,0,1|2,0,0]=4 1672 B14R1.6395 NC(=O)C(F)(F)SCC1CCCCC1 62a_100009811971_100000211423 [0,1,0,0,0,1|2,0,0]=4 1673 B14R1.6395 O=C(O)C(F)(F)CNC1CCCCC1 269956a_100000734215_100000210327 [0,1,0,0,0,1|1,0,0]=3 1674 B14R1.6395 O=C(O)C(F)(F)CNC1CCCOC1 269956a_100000734215_100000693364 [0,1,0,0,0,1|2,0,0]=4 1675 B14R1.6395 O=C(O)C(F)(F)CNC1CCOCC1 269956a_100000734215_100011324220 [0,1,0,0,0,1|2,0,0]=4 1676 B14R1.6395 O=C(O)C(F)(F)CNC1CCSCC1 269956a_100000734215_100000069128 [0,1,0,0,0,1|2,0,0]=4 1677 B14R1.6395 O=C([O-])C(F)(F)NCC1CCCCC1 34a_100000210473_100020612412 [0,1,0,0,0,1|1,0,1]=4 1678 B14R1.6395 O=C([O-])C(F)(F)OCC1CCCCC1 34a_100000212181_100020612412 [0,1,0,0,0,1|1,0,1]=4 1679 B14R1.6395 O=C([O-])C(F)(F)SCC1CCCCC1 62a_100000211423_100000745680 [0,1,0,0,0,1|1,0,1]=4 1680 B14R1.6395 O=C([O-])C(F)(F)SCC1CCCCC1 62a_100000745680_100000211423 [0,1,0,0,0,1|1,0,1]=4 1681 B14R1.16807 CC(=O)C(C)NCC1(CCCCC1)C 2230a_100000706052_100009814033 [0,1,0,0,0,1|2,0,0]=4 1682 B14R1.16807 CC(=O)C(C)NCC1(CCCCC1)O 2230a_100000748649_100009814033 [0,1,0,0,0,1|2,0,0]=4 1683 B14R1.16807 CC(=O)C(C)OCC1(CCCCC1)C 7a_100000688186_100000179758 [0,1,0,0,0,1|2,0,0]=4 1684 B14R1.16807 CC(=O)C(C)OCC1(CCCCC1)F 7a_100000090305_100000179758 [0,1,0,0,0,1|2,0,0]=4 1685 B14R1.16807 CC(NCC1(CCCCC1)C)C(=O)N 2230a_100000706052_100000702099 [0,1,0,0,0,1|2,0,0]=4 1686 B14R1.16807 CC(NCC1(CCCCC1)C)C(=O)N 34a_100000706052_100000702099 [0,1,0,0,0,1|2,0,0]=4 1687 B14R1.16807 CC(NCC1(CCCCC1)O)C(=O)N 2230a_100000748649_100000702099 [0,1,0,0,0,1|2,0,0]=4 1688 B14R1.16807 CC(NCC1(CCCCC1)O)C(=O)N 34a_100000748649_100000702099 [0,1,0,0,0,1|2,0,0]=4 1689 B14R1.16807 CC(OCC1(CCCCC1)C)C(=O)N 34a_100000688186_100000702099 [0,1,0,0,0,1|2,0,0]=4 1690 B14R1.16807 CC(OCC1(CCCCC1)C)C(=O)N 7a_100000688186_100000702099 [0,1,0,0,0,1|2,0,0]=4 1691 B14R1.16807 CC(OCC1(CCCCC1)F)C(=O)N 34a_100000090305_100000702099 [0,1,0,0,0,1|2,0,0]=4 1692 B14R1.16807 CC(OCC1(CCCCC1)F)C(=O)N 7a_100000090305_100000702099 [0,1,0,0,0,1|2,0,0]=4 1693 B14R1.16807 CC(OCC1(CCCCC1)N)C(=O)N 34a_100000740034_100000702099 [0,1,0,0,0,1|2,0,0]=4 1694 B14R1.16807 CC1(CCCCC1)CNC(F)C(=O)N 2230a_100000706052_100009813875 [0,1,0,0,0,1|2,0,0]=4 1695 B14R1.16807 CC1(CCCCC1)CNC(F)C(=O)N 34a_100000706052_100009813875 [0,1,0,0,0,1|2,0,0]=4 1696 B14R1.16807 CC1(CCCCC1)CNC(F)C(=O)[O-] 34a_100000706052_100020610796 [0,1,0,0,0,1|1,0,1]=4 1697 B14R1.16807 CC1(CCCCC1)COC(F)C(=O)N 34a_100000688186_100009813875 [0,1,0,0,0,1|2,0,0]=4 1698 B14R1.16807 CC1(CCCCC1)COC(F)C(=O)N 7a_100000688186_100009813875 [0,1,0,0,0,1|2,0,0]=4 1699 B14R1.16807 CC1(CCCCC1)COC(F)C(=O)[O-] 34a_100000688186_100020610796 [0,1,0,0,0,1|1,0,1]=4 1700 B14R1.16807 NC(=O)C(F)NCC1(CCCCC1)O 2230a_100000748649_100009813875 [0,1,0,0,0,1|2,0,0]=4 1701 B14R1.16807 NC(=O)C(F)NCC1(CCCCC1)O 34a_100000748649_100009813875 [0,1,0,0,0,1|2,0,0]=4 1702 B14R1.16807 NC(=O)C(F)OCC1(CCCCC1)F 34a_100000090305_100009813875 [0,1,0,0,0,1|2,0,0]=4 1703 B14R1.16807 NC(=O)C(F)OCC1(CCCCC1)F 7a_100000090305_100009813875 [0,1,0,0,0,1|2,0,0]=4 1704 B14R1.16807 NC(=O)C(F)OCC1(CCCCC1)N 34a_100000740034_100009813875 [0,1,0,0,0,1|2,0,0]=4 1705 B14R1.16807 NC1(CCCCC1)COC(F)C(=O)[O-] 34a_100000740034_100020610796 [0,1,0,0,0,1|1,0,1]=4 1706 B14R1.16807 O=C([O-])C(F)NCC1(CCCCC1)O 34a_100000748649_100020610796 [0,1,0,0,0,1|1,0,1]=4 1707 B14R1.16807 O=C([O-])C(F)OCC1(CCCCC1)F 34a_100000090305_100020610796 [0,1,0,0,0,1|1,0,1]=4 1708 B14R1.328 C[C@H](NC1CCCCCC1=O)C(=O)O 269956a_100000743915_100000243696 [0,1,0,0,0,1|2,0,0]=4 1709 B14R1.2861 COC(=O)C(C)CN1CCCCCC1 269982a_100000185865_100000698445 [0,1,0,0,0,1|2,0,0]=4 1710 B14R1.2861 COC(=O)C(C)CN1CCCCCC1 34a_100000185865_100000698445 [0,1,0,0,0,1|2,0,0]=4 1711 B14R1.2861 COC(=O)C(C)CN1CCCOCC1 269982a_100000685342_100000698445 [0,1,0,0,0,1|2,0,0]=4 1712 B14R1.2861 COC(=O)C(C)CN1CCCOCC1 34a_100000685342_100000698445 [0,1,0,0,0,1|2,0,0]=4 1713 B14R1.2861 COC(=O)C(C)NC1CCCCCC1 2230a_100000210984_100000211248 [0,1,0,0,0,1|2,0,0]=4 1714 B14R1.2861 COC(=O)C(C)NC1CCCCCC1 34a_100000210984_100000211248 [0,1,0,0,0,1|2,0,0]=4 1715 B14R1.2861 COC(=O)C(C)OC1CCCCCC1 34a_100000210887_100000211248 [0,1,0,0,0,1|2,0,0]=4 1716 B14R1.2861 COC(=O)C(C)OC1CCCCCC1 34a_100011215400_100011217769 [0,1,0,0,0,1|2,0,0]=4 1717 B14R1.2861 COC(=O)C(C)OC1CCCCCC1 7a_100000210887_100000211248 [0,1,0,0,0,1|2,0,0]=4 1718 B14R1.2861 COC(=O)C(C)SC1CCCCCC1 62a_100000211248_100011217769 [0,1,0,0,0,1|2,0,0]=4 1719 B14R1.2861 COC(=O)C(C)SC1CCCCCC1 62a_100011217769_100000211248 [0,1,0,0,0,1|2,0,0]=4 1720 B14R1.9321 C=C[C@H](NC1CCCCCC1)C(=O)O 269956a_100016992060_100011217769 [0,1,0,0,0,1|2,0,0]=4 1721 B14R1.9321 CC[C@@H](NC1CCCCCC1)C(=O)O 269956a_100000747097_100011217769 [0,1,0,0,0,1|2,0,0]=4 1722 B14R1.9321 O=C(O)C(CO)NC1CCCCCC1 269956a_100000187304_100011217769 [0,1,0,0,0,1|2,0,0]=4 1723 B14R1.13300 CC(C(=O)O)N(C)C1CCCCCC1 269956a_100000749554_100011217769 [0,1,0,0,0,1|2,0,0]=4 1724 B14R1.132 CC1CCC(CC1)N(C)C(C)C(=O)O 269956a_100000749554_200011216234 [0,2,0,0,0,0|2,0,0]=4 1725 B14R1.134 COC(=O)C(C)CN1CCC(CC1)C 269982a_100000188429_100000698445 [0,2,0,0,0,0|2,0,0]=4 1726 B14R1.134 COC(=O)C(C)CN1CCC(CC1)C 34a_100000188429_100000698445 [0,2,0,0,0,0|2,0,0]=4 1727 B14R1.134 COC(=O)C(C)CN1CCC(CC1)F 269982a_100015193889_100000698445 [0,2,0,0,0,0|2,0,0]=4 1728 B14R1.134 COC(=O)C(C)CN1CCC(CC1)F 34a_100015193889_100000698445 [0,2,0,0,0,0|2,0,0]=4 1729 B14R1.134 COC(=O)C(C)CN1CCC(CC1)O 269982a_100025773856_100000698445 [0,2,0,0,0,0|2,0,0]=4 1730 B14R1.134 COC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 2230a_100020625639_100000211248 [0,2,0,0,0,0|2,0,0]=4 1731 B14R1.134 COC(=O)C(C)N[C@H]1CC[C@@H](CC1)C 34a_100020625639_100000211248 [0,2,0,0,0,0|2,0,0]=4 1732 B14R1.134 COC(=O)C(C)OC1CCC(CC1)C 34a_100000210714_100000211248 [0,2,0,0,0,0|2,0,0]=4 1733 B14R1.134 COC(=O)C(C)OC1CCC(CC1)C 34a_100011215400_200011216234 [0,2,0,0,0,0|2,0,0]=4 1734 B14R1.134 COC(=O)C(C)OC1CCC(CC1)C 7a_100000210714_100000211248 [0,2,0,0,0,0|2,0,0]=4 1735 B14R1.134 COC(=O)C(C)O[C@H]1CC[C@H](CC1)N 34a_100020628982_100000211248 [0,2,0,0,0,0|2,0,0]=4 1736 B14R1.134 COC(=O)C(C)SC1CCC(CC1)C 62a_100000211248_200011216234 [0,2,0,0,0,0|2,0,0]=4 1737 B14R1.536 C=C[C@H](NC1CCC(CC1)C)C(=O)O 269956a_100016992060_200011216234 [0,2,0,0,0,0|2,0,0]=4 1738 B14R1.536 CC1CCC(CC1)NC(CO)C(=O)O 269956a_100000187304_200011216234 [0,2,0,0,0,0|2,0,0]=4 1739 B14R1.536 CC[C@@H](NC1CCC(CC1)C)C(=O)O 269956a_100000747097_200011216234 [0,2,0,0,0,0|2,0,0]=4 1740 B14R1.16793 C[C@H](NC1CCC(CC1)(F)F)C(=O)O 269956a_100000743915_100009865109 [0,2,0,0,0,0|2,0,0]=4 1741 B14R1.60 C#CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000184674 [0,2,0,0,0,0|2,0,0]=4 1742 B14R1.60 C#CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000184674 [0,2,0,0,0,0|2,0,0]=4 1743 B14R1.60 C=CCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210623 [0,2,0,0,0,0|2,0,0]=4 1744 B14R1.60 C=CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210623 [0,2,0,0,0,0|2,0,0]=4 1745 B14R1.60 CC(CC1CCCCC1)C(=O)CC#N 1458a_200011416370_100011214920 [0,2,0,0,0,0|2,0,0]=4 1746 B14R1.60 CC(CC1CCCCC1)C(=O)CCF 1458a_200011416370_100011217306 [0,2,0,0,0,0|2,0,0]=4 1747 B14R1.60 CC(CC1CCCCC1)C(=O)CCO 1458a_200011416370_100000211926 [0,2,0,0,0,0|1,0,0]=3 1748 B14R1.60 CC(CN1CCCCC1)C(=O)CCO 1458a_100000740234_100000211926 [0,2,0,0,0,0|2,0,0]=4 1749 B14R1.60 CC(CN1CCCCC1)C(=O)CCO 1458a_100011216618_100009831500 [0,2,0,0,0,0|2,0,0]=4 1750 B14R1.60 CCCC(=O)C(C)CC1CCCCC1 1458a_200011416370_100000210303 [0,2,0,0,0,0|2,0,0]=4 1751 B14R1.60 CCCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100000210303 [0,2,0,0,0,0|2,0,0]=4 1752 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 11a_100015525214_200011416370 [0,2,0,0,0,0|2,0,0]=4 1753 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 240690a_100015525214_200011416370 [0,2,0,0,0,0|2,0,0]=4 1754 B14R1.60 CCNC(=O)C(C)CC1CCCCC1 527a_100015525214_200011416370 [0,2,0,0,0,0|2,0,0]=4 1755 B14R1.60 CCNC(=O)[C@H](O)CC1CCCCC1 240690a_100015525214_100016183741 [0,2,0,0,0,0|2,0,0]=4 1756 B14R1.60 CCNC(=O)[C@H](O)CC1CCCCC1 527a_100015525214_100016183741 [0,2,0,0,0,0|2,0,0]=4 1757 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 2230a_100000182618_100011215307 [0,2,0,0,0,0|2,0,0]=4 1758 B14R1.60 CCOC(=O)C(C)NC1CCCCC1 34a_100000182618_100011216346 [0,2,0,0,0,0|2,0,0]=4 1759 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 34a_100000210231_100011216346 [0,2,0,0,0,0|2,0,0]=4 1760 B14R1.60 CCOC(=O)C(C)OC1CCCCC1 7a_100000210231_100011216346 [0,2,0,0,0,0|2,0,0]=4 1761 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100000210327_100011216346 [0,2,0,0,0,0|2,0,0]=4 1762 B14R1.60 CCOC(=O)C(C)SC1CCCCC1 62a_100011216346_100000210327 [0,2,0,0,0,0|2,0,0]=4 1763 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 2230a_100000182618_100000760018 [0,2,0,0,0,0|2,0,0]=4 1764 B14R1.60 CCOC(=O)C(F)NC1CCCCC1 34a_100000182618_100000760018 [0,2,0,0,0,0|2,0,0]=4 1765 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 34a_100000210231_100000760018 [0,2,0,0,0,0|2,0,0]=4 1766 B14R1.60 CCOC(=O)C(F)OC1CCCCC1 7a_100000210231_100000040065 [0,2,0,0,0,0|2,0,0]=4 1767 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000210327_100000760018 [0,2,0,0,0,0|2,0,0]=4 1768 B14R1.60 CCOC(=O)C(F)SC1CCCCC1 62a_100000760018_100000210327 [0,2,0,0,0,0|2,0,0]=4 1769 B14R1.60 CCOC(=O)[C@H](C)OC1CCCCC1 7a_100000751109_100000210327 [0,2,0,0,0,0|2,0,0]=4 1770 B14R1.60 CN(CC1CCCCC1)C(=O)CCO 240690a_100000736448_100011216618 [0,2,0,0,0,0|2,0,0]=4 1771 B14R1.60 CNNC(=O)C(C)CC1CCCCC1 22a_100016993582_200011416370 [0,2,0,0,0,0|2,0,0]=4 1772 B14R1.60 CNNC(=O)[C@H](O)CC1CCCCC1 22a_100016993582_100016183741 [0,2,0,0,0,0|2,0,0]=4 1773 B14R1.60 COCC(=O)C(C)CN1CCCCC1 1458a_100000210968_100009831500 [0,2,0,0,0,0|2,0,0]=4 1774 B14R1.60 COCC(=O)N(C)CC1CCCCC1 11a_100000736448_100000210968 [0,2,0,0,0,0|2,0,0]=4 1775 B14R1.60 COCC(=O)N(C)CC1CCCCC1 1626a_100000736448_100000210968 [0,2,0,0,0,0|2,0,0]=4 1776 B14R1.60 COCC(=O)N(C)CC1CCCCC1 240690a_100000736448_100000210968 [0,2,0,0,0,0|2,0,0]=4 1777 B14R1.60 COCC(=O)N(C)CC1CCCCC1 527a_100000736448_100000210968 [0,2,0,0,0,0|2,0,0]=4 1778 B14R1.60 N#CCC(=O)[C@H](O)CC1CCCCC1 1458a_100016183741_100011214920 [0,2,0,0,0,0|2,0,0]=4 1779 B14R1.60 O=C(CCF)[C@H](O)CC1CCCCC1 1458a_100016183741_100011217306 [0,2,0,0,0,0|2,0,0]=4 1780 B14R1.60 O=C(CCO)[C@H](O)CC1CCCCC1 1458a_100016183741_100000211926 [0,2,0,0,0,0|1,0,0]=3 1781 B14R1.85 COC(=O)C(C)C(=O)C1CCCCC1 1458a_100000210647_100000211248 [0,2,0,0,0,0|1,0,1]=4 1782 B14R1.85 COC(=O)C(C)C(=O)C1CCCCC1 1458a_100012027023_100000210327 [0,2,0,0,0,0|1,0,1]=4 1783 B14R1.85 COC(=O)C(C)N(C)C1CCCCC1 2230a_100000207522_100000211248 [0,2,0,0,0,0|2,0,0]=4 1784 B14R1.85 COC(=O)C(C)N(C)C1CCCCC1 269982a_100000207522_100000211248 [0,2,0,0,0,0|2,0,0]=4 1785 B14R1.85 COC(=O)C(C)N(C)C1CCCCC1 269982a_100000725243_100000210327 [0,2,0,0,0,0|2,0,0]=4 1786 B14R1.85 COC(=O)C(C)N(C)C1CCCCC1 270004a_100000725243_100000210434 [0,2,0,0,0,0|2,0,0]=4 1787 B14R1.85 COC(=O)C(C)N(C)C1CCCCC1 34a_100000207522_100000211248 [0,2,0,0,0,0|2,0,0]=4 1788 B14R1.135 COC(=O)C(C)CN1CCCC(C1)F 269982a_100000697950_100000698445 [0,2,0,0,0,0|2,0,0]=4 1789 B14R1.135 COC(=O)C(C)CN1CCCC(C1)F 34a_100000697950_100000698445 [0,2,0,0,0,0|2,0,0]=4 1790 B14R1.135 COC(=O)C(C)CN1CCCC(C1)O 269982a_100000211013_100000698445 [0,2,0,0,0,0|2,0,0]=4 1791 B14R1.135 COC(=O)C(C)CN1CCC[C@@H](C1)C 269982a_100000717927_100000698445 [0,2,0,0,0,0|2,0,0]=4 1792 B14R1.135 COC(=O)C(C)CN1CCC[C@@H](C1)C 34a_100000717927_100000698445 [0,2,0,0,0,0|2,0,0]=4 1793 B14R1.135 COC(=O)C(C)NC1CCCC(C1)C 2230a_100011194320_100000211248 [0,2,0,0,0,0|2,0,0]=4 1794 B14R1.135 COC(=O)C(C)NC1CCCC(C1)C 34a_100011194320_100000211248 [0,2,0,0,0,0|2,0,0]=4 1795 B14R1.135 COC(=O)C(C)NC1CCCC(C1)O 2230a_100015190357_100000211248 [0,2,0,0,0,0|2,0,0]=4 1796 B14R1.135 COC(=O)C(C)OC1CCCC(C1)C 34a_100000211399_100000211248 [0,2,0,0,0,0|2,0,0]=4 1797 B14R1.1007 COC(=O)C(C)CN1CCCCC1C 269982a_100000211376_100000698445 [0,2,0,0,0,0|2,0,0]=4 1798 B14R1.1007 COC(=O)C(C)CN1CCCCC1C 34a_100000211376_100000698445 [0,2,0,0,0,0|2,0,0]=4 1799 B14R1.1007 COC(=O)C(C)NC1CCCCC1C 2230a_100000211402_100000211248 [0,2,0,0,0,0|2,0,0]=4 1800 B14R1.1007 COC(=O)C(C)NC1CCCCC1C 34a_100000211402_100000211248 [0,2,0,0,0,0|2,0,0]=4 1801 B14R1.1007 COC(=O)C(C)N[C@@H]1CCCC[C@H]1F 2230a_100015195156_100000211248 [0,2,0,0,0,0|2,0,0]=4 1802 B14R1.1007 COC(=O)C(C)N[C@@H]1CCCC[C@H]1F 34a_100015195156_100000211248 [0,2,0,0,0,0|2,0,0]=4 1803 B14R1.1007 COC(=O)C(C)OC1CCCCC1C 34a_100000211207_100000211248 [0,2,0,0,0,0|2,0,0]=4 1804 B14R1.1007 COC(=O)C(C)OC1CCCCC1C 7a_100000211207_100000211248 [0,2,0,0,0,0|2,0,0]=4 1805 B14R1.1007 COC(=O)C(C)OC1CCCCC1Cl 34a_100000038908_100000211248 [0,2,0,0,0,0|2,0,0]=4 1806 B14R1.1007 COC(=O)C(C)OC1CCCCC1Cl 7a_100000038908_100000211248 [0,2,0,0,0,0|2,0,0]=4 1807 B14R1.1007 COC(=O)C(C)OC1CCCCC1F 34a_100011215400_100015423560 [0,2,0,0,0,0|2,0,0]=4 1808 B14R1.1007 COC(=O)C(C)OC1CCCCC1O 34a_100011215400_100000038908 [0,2,0,0,0,0|2,0,0]=4 1809 B14R1.1007 COC(=O)C(C)O[C@@H]1CCCC[C@H]1F 34a_100009816020_100000211248 [0,2,0,0,0,0|2,0,0]=4 1810 B14R1.1007 COC(=O)C(C)O[C@@H]1CCCC[C@H]1F 7a_100009816020_100000211248 [0,2,0,0,0,0|2,0,0]=4 1811 B14R1.1007 COC(=O)C(C)O[C@H]1CCCC[C@H]1N 34a_100015191688_100000211248 [0,2,0,0,0,0|2,0,0]=4 1812 B14R1.1007 COC(=O)C(C)SC1CCCCC1F 62a_100000211248_100015423560 [0,2,0,0,0,0|2,0,0]=4 1813 B14R1.1007 COC(=O)C(C)SC1CCCCC1F 62a_100015423560_100000211248 [0,2,0,0,0,0|2,0,0]=4 1814 B14R1.1007 COC(=O)C(C)SC1CCCCC1O 62a_100000038908_100000211248 [0,2,0,0,0,0|2,0,0]=4 1815 B14R1.1007 COC(=O)C(C)SC1CCCCC1O 62a_100000211248_100000038908 [0,2,0,0,0,0|2,0,0]=4 1816 B14R1.1031 CCC(NC1CCCCC1)C(=O)OC 2230a_100000182618_100000235869 [0,2,0,0,0,0|2,0,0]=4 1817 B14R1.1031 CCC(NC1CCCCC1)C(=O)OC 34a_100000182618_100000235869 [0,2,0,0,0,0|2,0,0]=4 1818 B14R1.1031 CCC(OC1CCCCC1)C(=O)OC 34a_100000210231_100000235869 [0,2,0,0,0,0|2,0,0]=4 1819 B14R1.1031 CCC(OC1CCCCC1)C(=O)OC 34a_100000695916_100000210327 [0,2,0,0,0,0|2,0,0]=4 1820 B14R1.1031 CCC(OC1CCCCC1)C(=O)OC 7a_100000210231_100000742303 [0,2,0,0,0,0|2,0,0]=4 1821 B14R1.1031 CCC(OC1CCCCC1)C(=O)OC 7a_100000695916_100000210327 [0,2,0,0,0,0|2,0,0]=4 1822 B14R1.1031 CCC(SC1CCCCC1)C(=O)OC 62a_100000210327_100000235869 [0,2,0,0,0,0|2,0,0]=4 1823 B14R1.1031 CCC(SC1CCCCC1)C(=O)OC 62a_100000235869_100000210327 [0,2,0,0,0,0|2,0,0]=4 1824 B14R1.1031 COC(=O)C(C=O)NC1CCCCC1 34a_100000182618_100000046368 [0,2,0,0,0,0|2,0,0]=4 1825 B14R1.1031 COC(=O)C(C=O)OC1CCCCC1 34a_100000210231_100000046368 [0,2,0,0,0,0|2,0,0]=4 1826 B14R1.1031 COC(=O)C(C=O)SC1CCCCC1 62a_100000046368_100000210327 [0,2,0,0,0,0|2,0,0]=4 1827 B14R1.1031 COC(=O)C(C=O)SC1CCCCC1 62a_100000210327_100000046368 [0,2,0,0,0,0|2,0,0]=4 1828 B14R1.1031 COC(=O)C(CN)OC1CCCCC1 34a_100000695228_100000210327 [0,2,0,0,0,0|1,0,0]=3 1829 B14R1.1031 COC(=O)C(CN)OC1CCCOC1 34a_100000695228_100000693364 [0,2,0,0,0,0|2,0,0]=4 1830 B14R1.1031 COC(=O)C(CN)OC1CCSCC1 34a_100000695228_100000069128 [0,2,0,0,0,0|2,0,0]=4 1831 B14R1.1031 COC(=O)C(CO)NC1CCCCC1 34a_100000182618_100012276630 [0,2,0,0,0,0|2,0,0]=4 1832 B14R1.1031 COC(=O)C(CO)OC1CCCCC1 34a_100000210231_100012276630 [0,2,0,0,0,0|2,0,0]=4 1833 B14R1.1031 COC(=O)C(CO)SC1CCCCC1 62a_100000210327_100012276630 [0,2,0,0,0,0|2,0,0]=4 1834 B14R1.1031 COC(=O)C(CO)SC1CCCCC1 62a_100012276630_100000210327 [0,2,0,0,0,0|2,0,0]=4 1835 B14R1.1031 COC(=O)C(NC1CCCCC1)OC 34a_100000182618_100000101307 [0,2,0,0,0,0|2,0,0]=4 1836 B14R1.1031 COC(=O)C(OC)OC1CCCCC1 34a_100000036821_100000210327 [0,2,0,0,0,0|2,0,0]=4 1837 B14R1.1031 COC(=O)C(OC)OC1CCCCC1 34a_100000210231_100000101307 [0,2,0,0,0,0|2,0,0]=4 1838 B14R1.1031 COC(=O)C(OC)SC1CCCCC1 62a_100000101307_100000210327 [0,2,0,0,0,0|2,0,0]=4 1839 B14R1.1031 COC(=O)C(OC)SC1CCCCC1 62a_100000210327_100000101307 [0,2,0,0,0,0|2,0,0]=4 1840 B14R1.1107 COC(=O)C(C)(C)NC1CCCCC1 2230a_100000182618_100000689032 [0,2,0,0,0,0|2,0,0]=4 1841 B14R1.1107 COC(=O)C(C)(C)OC1CCCCC1 34a_100011217581_100000210327 [0,2,0,0,0,0|2,0,0]=4 1842 B14R1.1107 COC(=O)C(C)(C)OC1CCCCC1 7a_100011217581_100000210327 [0,2,0,0,0,0|2,0,0]=4 1843 B14R1.1107 COC(=O)C(C)(C)SC1CCCCC1 62a_100000210327_100000689032 [0,2,0,0,0,0|2,0,0]=4 1844 B14R1.1107 COC(=O)C(C)(C)SC1CCCCC1 62a_100000689032_100000210327 [0,2,0,0,0,0|2,0,0]=4 1845 B14R1.1107 COC(=O)C(C)(F)NC1CCCCC1 2230a_100000182618_200009867631 [0,2,0,0,0,0|2,0,0]=4 1846 B14R1.1107 COC(=O)C(C)(F)NC1CCCCC1 34a_100000182618_200009867631 [0,2,0,0,0,0|2,0,0]=4 1847 B14R1.1107 COC(=O)C(C)(F)OC1CCCCC1 34a_100000210231_200009867631 [0,2,0,0,0,0|2,0,0]=4 1848 B14R1.1107 COC(=O)C(C)(F)SC1CCCCC1 62a_100000210327_200009867631 [0,2,0,0,0,0|2,0,0]=4 1849 B14R1.1107 COC(=O)C(C)(F)SC1CCCCC1 62a_200009867631_100000210327 [0,2,0,0,0,0|2,0,0]=4 1850 B14R1.1107 COC(=O)C(F)(F)NC1CCCCC1 34a_100000182618_100000211177 [0,2,0,0,0,0|2,0,0]=4 1851 B14R1.1107 COC(=O)C(F)(F)OC1CCCCC1 34a_100000210231_100000211177 [0,2,0,0,0,0|2,0,0]=4 1852 B14R1.1107 COC(=O)C(F)(F)OC1CCCCC1 7a_100000210231_100000211177 [0,2,0,0,0,0|2,0,0]=4 1853 B14R1.1107 COC(=O)C(F)(F)SC1CCCCC1 62a_100000210327_100000211177 [0,2,0,0,0,0|2,0,0]=4 1854 B14R1.1107 COC(=O)C(F)(F)SC1CCCCC1 62a_100000211177_100000210327 [0,2,0,0,0,0|2,0,0]=4 1855 B14R1.8756 COC(=O)C(C)NC1(CCCCC1)C 2230a_100000741114_100000211248 [0,2,0,0,0,0|2,0,0]=4 1856 B14R1.8756 COC(=O)C(C)NC1(CCCCC1)C 34a_100000741114_100000211248 [0,2,0,0,0,0|2,0,0]=4 1857 B14R1.8756 COC(=O)C(C)OC1(CCCCC1)C 34a_100011215885_100000211248 [0,2,0,0,0,0|2,0,0]=4 1858 B14R1.8756 COC(=O)C(C)OC1(CCCCC1)C 7a_100011215885_100000211248 [0,2,0,0,0,0|2,0,0]=4 1859 B14R1.243 CC(C(=O)O)N(C)C1CCCCC1F 269956a_100000749554_100015423560 [0,2,0,0,0,0|2,0,0]=4 1860 B14R1.243 CC(C(=O)O)N(C)C1CCCCC1O 269956a_100000749554_100000038908 [0,2,0,0,0,0|2,0,0]=4 1861 B14R1.1017 CN(C1CCCCC1)[C@@H](CO)C(=O)O 269956a_100015362447_100000210327 [0,2,0,0,0,0|2,0,0]=4 1862 B14R1.550 C=C[C@H](NC1CCCCC1F)C(=O)O 269956a_100016992060_100015423560 [0,2,0,0,0,0|2,0,0]=4 1863 B14R1.550 C=C[C@H](NC1CCCCC1O)C(=O)O 269956a_100016992060_100000038908 [0,2,0,0,0,0|2,0,0]=4 1864 B14R1.550 CC[C@@H](NC1CCCCC1F)C(=O)O 269956a_100000747097_100015423560 [0,2,0,0,0,0|2,0,0]=4 1865 B14R1.550 CC[C@@H](NC1CCCCC1O)C(=O)O 269956a_100000747097_100000038908 [0,2,0,0,0,0|2,0,0]=4 1866 B14R1.550 O=C(O)C(CO)NC1CCCCC1F 269956a_100000187304_100015423560 [0,2,0,0,0,0|2,0,0]=4 1867 B14R1.550 O=C(O)C(CO)NC1CCCCC1O 269956a_100000187304_100000038908 [0,2,0,0,0,0|2,0,0]=4 1868 B14R1.3215 C[C@H](NC1CCCCC1(F)F)C(=O)O 269956a_100000743915_200009832135 [0,2,0,0,0,0|2,0,0]=4 1869 B14R1.980 CCC[C@H](NC1CCCCC1)C(=O)O 269956a_100000750406_100000210327 [0,2,0,0,0,0|2,0,0]=4 1870 B14R1.980 CCN[C@@H](CC1CCCCC1)C(=O)N 2230a_200025703520_100000210202 [0,2,0,0,0,0|1,0,0]=3 1871 B14R1.980 CCN[C@@H](CC1CCCCC1)C(=O)N 34a_200025703520_100000210202 [0,2,0,0,0,0|1,0,0]=3 1872 B14R1.980 COC[C@@H](NC1CCCCC1)C(=O)O 269956a_100011998655_100000210327 [0,2,0,0,0,0|2,0,0]=4 1873 B14R1.980 CSC[C@H](NC1CCCCC1)C(=O)O 269956a_100011421858_100000210327 [0,2,0,0,0,0|2,0,0]=4 1874 B14R1.980 C[Se]C[C@H](NC1CCCCC1)C(=O)O 269956a_100015254316_100000210327 [0,2,0,0,0,0|2,0,0]=4 1875 B14R1.980 NC(=O)[C@H](CC1CCCCC1)NCF 34a_200025703520_100015361967 [0,2,0,0,0,0|1,0,0]=3 1876 B14R1.4513 CC(C)[C@@H](NC1CCCCC1)C(=O)O 269956a_100000745019_100000210327 [0,2,0,0,0,0|2,0,0]=4 1877 B14R1.4513 CC(O)C(NC1CCCCC1)C(=O)O 269956a_100000185852_100000210327 [0,2,0,0,0,0|2,0,0]=4 1878 B14R1.4513 NC(=O)C(NC1CCCCC1)C(=O)N 270004a_100000025885_100000210434 [0,2,0,0,0,0|2,0,0]=4 1879 B14R1.8844 CCC(C)(NC1CCCCC1)C(=O)O 269956a_100025756313_100000210327 [0,2,0,0,0,0|2,0,0]=4 1880 B12R1.279 CCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210202 [0,0,1,1,0,0|2,0,0]=4 1881 B12R1.264 CC(CNC1CCCC1)C(=O)O 269956a_100000749485_100000179811 [0,0,1,1,0,0|2,0,0]=4 1882 B12R1.264 C[C@H](NCC1CCCC1)C(=O)O 269956a_100000743915_100000740388 [0,0,1,1,0,0|2,0,0]=4 1883 B12R1.264 NC(=O)[C@@H](N)COC1CCCC1 34a_100000729942_100000179811 [0,0,1,1,0,0|2,0,0]=4 1884 B12R1.264 O=C(O)C(F)CNC1CCCC1 269956a_100000084737_100000179811 [0,0,1,1,0,0|2,0,0]=4 1885 B12R1.337 CCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210207 [0,0,1,1,0,0|2,0,0]=4 1886 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,0,1,1,0,0|2,0,0]=4 1887 B12R1.1396 CC(CNCC1CCC1)C(=O)O 269956a_100000749485_100000763275 [0,0,1,1,0,0|2,0,0]=4 1888 B12R1.1396 NC(=O)[C@@H](N)COCC1CCC1 34a_100000729942_100000763275 [0,0,1,1,0,0|2,0,0]=4 1889 B12R1.1396 O=C(O)C(F)CNCC1CCC1 269956a_100000084737_100000763275 [0,0,1,1,0,0|2,0,0]=4 1890 B12R1.1397 CC(CNCCC1CC1)C(=O)O 269956a_100000749485_100000694398 [0,0,1,1,0,0|2,0,0]=4 1891 B12R1.1397 NC(=O)[C@@H](N)COCCC1CC1 34a_100000729942_100000694398 [0,0,1,1,0,0|2,0,0]=4 1892 B12R1.1397 O=C(O)C(F)CNCCC1CC1 269956a_100000084737_100000694398 [0,0,1,1,0,0|2,0,0]=4 1893 B12R1.1416 CCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210211 [0,0,1,1,0,0|2,0,0]=4 1894 B12R1.1500 CCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210207 [0,0,1,1,0,0|2,0,0]=4 1895 B12R2.250 CC(=O)C1CC12CCOCC2 1458a_100000766831_200000210301 [1,0,0,1,0,0|2,0,0]=4 1896 B12R2.250 [13CH3]C(=O)C1CC12CCOCC2 1458a_100000766831_200025704644 [1,0,0,1,0,0|2,0,0]=4 1897 B12R2.1367 NC(=O)CN1C2CCC1CC2 2230a_100000735658_100000747473 [1,0,0,1,0,0|2,0,0]=4 1898 B12R2.1367 NC(=O)CN1C2CCC1CC2 269982a_100000735658_100000187820 [1,0,0,1,0,0|2,0,0]=4 1899 B12R2.1367 NC(=O)CN1C2CCC1CC2 34a_100000735658_100000187820 [1,0,0,1,0,0|2,0,0]=4 1900 B12R2.1367 O=C([O-])CN1C2CCC1CC2 269982a_100000735658_100020667443 [1,0,0,1,0,0|1,0,1]=4 1901 B12R2.1367 O=C([O-])CN1C2CCC1CC2 34a_100000735658_100020667443 [1,0,0,1,0,0|1,0,1]=4 1902 B12R2.1381 CC(=O)CCN1CC2CC2C1 269982a_100000741873_100000053229 [1,0,0,1,0,0|2,0,0]=4 1903 B12R2.1381 NC(=O)CCN1CC2CC2C1 2230a_100000741873_100000744528 [1,0,0,1,0,0|2,0,0]=4 1904 B12R2.1381 NC(=O)CCN1CC2CC2C1 269982a_100000741873_100000744528 [1,0,0,1,0,0|2,0,0]=4 1905 B12R2.1381 NC(=O)CCN1CC2CC2C1 34a_100000741873_100000731001 [1,0,0,1,0,0|2,0,0]=4 1906 B12R2.1392 CC(=O)C1CC2CCN1CC2 1458a_100102578056_200000210301 [1,0,0,1,0,0|2,0,0]=4 1907 B12R2.1392 CC(=O)N1CC2CCC1CC2 11a_100000750499_100015343762 [1,0,0,1,0,0|2,0,0]=4 1908 B12R2.1392 CC(=O)N1CC2CCC1CC2 1626a_100000750499_100015343762 [1,0,0,1,0,0|2,0,0]=4 1909 B12R2.1392 CC(=O)N1CC2CCC1CC2 240690a_100000750499_100015343762 [1,0,0,1,0,0|2,0,0]=4 1910 B12R2.1392 CC(=O)N1CC2CCC1CC2 527a_100000750499_100103153847 [1,0,0,1,0,0|2,0,0]=4 1911 B12R2.1392 [13CH3]C(=O)C1CC2CCN1CC2 1458a_100102578056_200025704644 [1,0,0,1,0,0|2,0,0]=4 1912 B12R2.5266 NC(=O)COC1CCC2C1C2 34a_200012295571_100000187820 [1,0,0,1,0,0|2,0,0]=4 1913 B12R2.5266 O=C([O-])COC1CCC2C1C2 34a_200012295571_100020667443 [1,0,0,1,0,0|1,0,1]=4 1914 B14R2.19 O=C1OCC(O1)NC2CCCCC2 34a_100000182618_100000032252 [0,0,0,1,0,1|2,0,0]=4 1915 B14R2.19 O=C1OCC(O1)OC2CCCCC2 34a_100000210231_100000032252 [0,0,0,1,0,1|2,0,0]=4 1916 B14R2.19 O=C1OCC(O1)SC2CCCCC2 62a_100000210327_100000032252 [0,0,0,1,0,1|2,0,0]=4 1917 B14R2.20691 CN(CC(=O)O)C1C2CCC1CC2 269956a_100000746989_100009813300 [0,0,0,1,0,1|2,0,0]=4 1918 B14R2.31 O=C1CCC1NCC2CCCCC2 34a_100000210473_100009892977 [0,0,0,1,0,1|2,0,0]=4 1919 B14R2.31 O=C1CCC1OCC2CCCCC2 34a_100000212181_100009892977 [0,0,0,1,0,1|2,0,0]=4 1920 B14R2.31 O=C1CCC1OCC2CCCCC2 7a_100000212181_100009892977 [0,0,0,1,0,1|2,0,0]=4 1921 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100000211423_100009892977 [0,0,0,1,0,1|2,0,0]=4 1922 B14R2.31 O=C1CCC1SCC2CCCCC2 62a_100009892977_100000211423 [0,0,0,1,0,1|2,0,0]=4 1923 B14R2.779 NC(=O)C1CN(C1)C2CCCCC2 270004a_100025753142_100000210434 [0,0,0,1,0,1|2,0,0]=4 1924 B14R2.779 NC(=O)C1CN(C1)C2CCCCC2 34a_100025753142_100000210327 [0,0,0,1,0,1|2,0,0]=4 1925 B14R2.15106 CC(=O)C(C)OC1C2CCC1CC2 34a_100000212229_100009813300 [0,0,0,1,0,1|2,0,0]=4 1926 B14R2.15106 CC(=O)C(C)SC1C2CCC1CC2 62a_100009813300_100009814033 [0,0,0,1,0,1|2,0,0]=4 1927 B14R2.15106 CC(=O)C(C)SC1C2CCC1CC2 62a_100009814033_100009813300 [0,0,0,1,0,1|2,0,0]=4 1928 B14R2.15106 CC(SC1C2CCC1CC2)C(=O)N 62a_100000702099_100009813300 [0,0,0,1,0,1|2,0,0]=4 1929 B14R2.15106 CC(SC1C2CCC1CC2)C(=O)N 62a_100009813300_100000702099 [0,0,0,1,0,1|2,0,0]=4 1930 B14R2.15106 C[C@@H](NC1C2CCC1CC2)C(=O)N 34a_100000119354_100009813300 [0,0,0,1,0,1|2,0,0]=4 1931 B14R2.15106 C[C@@H](OC1C2CCC1CC2)C(=O)N 34a_100000731257_100009813300 [0,0,0,1,0,1|2,0,0]=4 1932 B14R2.15106 C[C@H](NC1C2CCC1CC2)C(=O)O 269956a_100000743915_100009813300 [0,0,0,1,0,1|1,0,0]=3 1933 B14R2.15106 NC(=O)C(F)SC1C2CCC1CC2 62a_100009813300_100009813875 [0,0,0,1,0,1|2,0,0]=4 1934 B14R2.15106 NC(=O)C(F)SC1C2CCC1CC2 62a_100009813875_100009813300 [0,0,0,1,0,1|2,0,0]=4 1935 B14R2.15106 O=C([O-])C(F)SC1C2CCC1CC2 62a_100009813300_100020610796 [0,0,0,1,0,1|1,0,1]=4 1936 B14R2.15106 O=C([O-])C(F)SC1C2CCC1CC2 62a_100020610796_100009813300 [0,0,0,1,0,1|1,0,1]=4 1937 B14R2.15131 CC(=O)C(C)N1CC2CCC1CC2 2230a_100000750499_100009814033 [0,0,0,1,0,1|2,0,0]=4 1938 B14R2.15131 CC(=O)C(C)N1CC2CCC1CC2 269982a_100000750499_100009814033 [0,0,0,1,0,1|2,0,0]=4 1939 B14R2.15131 CC(C(=O)N)N1CC2CCC1CC2 2230a_100000750499_100000702099 [0,0,0,1,0,1|2,0,0]=4 1940 B14R2.15131 CC(C(=O)N)N1CC2CCC1CC2 269982a_100000750499_100000184083 [0,0,0,1,0,1|2,0,0]=4 1941 B14R2.15131 CC(C(=O)N)N1CC2CCC1CC2 34a_100000750499_100000702099 [0,0,0,1,0,1|2,0,0]=4 1942 B14R2.15131 NC(=O)C(F)N1CC2CCC1CC2 2230a_100000750499_100009813875 [0,0,0,1,0,1|2,0,0]=4 1943 B14R2.15131 NC(=O)C(F)N1CC2CCC1CC2 269982a_100000750499_100009813875 [0,0,0,1,0,1|2,0,0]=4 1944 B14R2.15131 NC(=O)C(F)N1CC2CCC1CC2 34a_100000750499_100009813875 [0,0,0,1,0,1|2,0,0]=4 1945 B14R2.15131 O=C([O-])C(F)N1CC2CCC1CC2 34a_100000750499_100020610796 [0,0,0,1,0,1|1,0,1]=4 1946 B14R2.30 O=C1NOC[C@H]1NC2CCCCC2 270004a_100000765999_100000210434 [0,1,0,1,0,0|2,0,0]=4 1947 B14R2.30 O=C1NOC[C@H]1NC2CCCCC2 34a_100000765999_100000210327 [0,1,0,1,0,0|2,0,0]=4 1948 B14R2.30 O=C1OCCC1NC2CCCCC2 2230a_100000182618_100000211211 [0,1,0,1,0,0|2,0,0]=4 1949 B14R2.30 O=C1OCCC1NC2CCCCC2 34a_100000182618_100000211211 [0,1,0,1,0,0|2,0,0]=4 1950 B14R2.30 O=C1OCCC1OC2CCCCC2 34a_100000210231_100000211211 [0,1,0,1,0,0|2,0,0]=4 1951 B14R2.30 O=C1OCCC1OC2CCCCC2 7a_100000210231_100000211211 [0,1,0,1,0,0|2,0,0]=4 1952 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000210327_100000211211 [0,1,0,1,0,0|2,0,0]=4 1953 B14R2.30 O=C1OCCC1SC2CCCCC2 62a_100000211211_100000210327 [0,1,0,1,0,0|2,0,0]=4 1954 B14R2.958 COC(=O)C1CN1C2CCCCC2 270004a_200009830135_100000210434 [0,1,0,1,0,0|2,0,0]=4 1955 B14R2.972 O=C(CO)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100000210174 [0,1,0,1,0,0|2,0,0]=4 1956 B14R2.972 O=C(CO)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100000210174 [0,1,0,1,0,0|2,0,0]=4 1957 B14R2.2747 COC(=O)C(C)N1C2CCC1CC2 2230a_100000735658_100000211248 [0,1,0,1,0,0|2,0,0]=4 1958 B14R2.2747 COC(=O)C(C)N1C2CCC1CC2 269982a_100000735658_100000211248 [0,1,0,1,0,0|2,0,0]=4 1959 B14R2.2747 COC(=O)C(C)N1C2CCC1CC2 34a_100000735658_100000211248 [0,1,0,1,0,0|2,0,0]=4 1960 B14R2.2805 COC(=O)C(C)CN1CC2CC2C1 269982a_100000741873_100000698445 [0,1,0,1,0,0|2,0,0]=4 1961 B14R2.2805 COC(=O)C(C)CN1CC2CC2C1 34a_100000741873_100000698445 [0,1,0,1,0,0|2,0,0]=4 1962 B14R2.20729 COC(=O)C(C)OC1CCC2C1C2 34a_200012295571_100000211248 [0,1,0,1,0,0|2,0,0]=4 1963 B14R2.15087 C[C@H](NC1CC2CCC1C2)C(=O)O 269956a_100000743915_100000727232 [0,1,0,1,0,0|2,0,0]=4 1964 B14R2.450 CN1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200000210301 [0,1,0,1,0,0|0,0,0]=2 1965 B14R2.450 [13CH3]N1[C@@H](C[C@H]2[C@@H]1CCCC2)C(=O)O 269956a_100000703543_200025704644 [0,1,0,1,0,0|0,0,0]=2 1966 B14R2.780 O=C(O)C1CCN1C2CCCCC2 269956a_100000021838_100000210327 [0,1,0,1,0,0|2,0,0]=4 1967 B14R2.788 O=C(O)C1(CC1)NC2CCCCC2 269956a_100000746478_100000210327 [0,1,0,1,0,0|2,0,0]=4 1968 B14R3.36120 CC(=O)C12CC3CC(C1)CC2C3 1458a_100000039771_200000210301 [0,0,0,2,0,0|2,0,0]=4 1969 B14R3.36120 [13CH3]C(=O)C12CC3CC(C1)CC2C3 1458a_100000039771_200025704644 [0,0,0,2,0,0|2,0,0]=4 1970 B10R0.81 CCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210211 [0,0,1,0,1,0|2,0,0]=4 1971 B10R0.81 CCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210303 [0,0,1,0,1,0|2,0,0]=4 1972 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000070787_100000760354 [1,0,0,0,1,0|1,0,0]=3 1973 B10R1.66 CC(=O)CCC1CCCC1 1458a_100000211120_200000210301 [1,0,0,0,1,0|1,0,0]=3 1974 B10R1.66 CC(=O)CCC1CCCO1 1458a_100011247709_200000210301 [1,0,0,0,1,0|2,0,0]=4 1975 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000070787_100000004467 [1,0,0,0,1,0|2,0,0]=4 1976 B10R1.66 CC(=O)CCN1CCCC1 1458a_100000738983_200000210301 [1,0,0,0,1,0|2,0,0]=4 1977 B10R1.66 CC(=O)CCN1CCCC1 269982a_100000188435_100000053229 [1,0,0,0,1,0|2,0,0]=4 1978 B10R1.66 CC(=O)COC1CCCC1 1458a_100000741352_200000210301 [1,0,0,0,1,0|2,0,0]=4 1979 B10R1.66 CC(=O)COC1CCCC1 34a_100000211253_100000179811 [1,0,0,0,1,0|2,0,0]=4 1980 B10R1.66 CC(=O)NCC1CCCC1 11a_100000737975_100015343762 [1,0,0,0,1,0|2,0,0]=4 1981 B10R1.66 CC(=O)NCC1CCCC1 1626a_100000737975_100015343762 [1,0,0,0,1,0|2,0,0]=4 1982 B10R1.66 CC(=O)NCC1CCCC1 240690a_100000737975_100015343762 [1,0,0,0,1,0|2,0,0]=4 1983 B10R1.66 CC(=O)NCC1CCCC1 527a_100000737975_100103153847 [1,0,0,0,1,0|2,0,0]=4 1984 B10R1.66 NC(=O)CCN1CCCC1 2230a_100000188435_100000744528 [1,0,0,0,1,0|2,0,0]=4 1985 B10R1.66 NC(=O)CCN1CCCC1 269982a_100000188435_100000744528 [1,0,0,0,1,0|2,0,0]=4 1986 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000211070_100000747473 [1,0,0,0,1,0|2,0,0]=4 1987 B10R1.66 NC(=O)CNC1CCCC1 2230a_100000711301_100000179811 [1,0,0,0,1,0|2,0,0]=4 1988 B10R1.66 NC(=O)CNC1CCCC1 34a_100000211070_100000187820 [1,0,0,0,1,0|2,0,0]=4 1989 B10R1.66 NC(=O)COC1CCCC1 34a_100000210269_100000187820 [1,0,0,0,1,0|2,0,0]=4 1990 B10R1.66 NC(=O)COC1CCCC1 7a_100000210269_100000187820 [1,0,0,0,1,0|2,0,0]=4 1991 B10R1.66 NC(=O)CSC1CCCC1 62a_100000747473_100000179811 [1,0,0,0,1,0|2,0,0]=4 1992 B10R1.66 NC(=O)CSC1CCCC1 62a_100011217020_100000747473 [1,0,0,0,1,0|2,0,0]=4 1993 B10R1.66 O=C(O)CNC1CCCC1 269956a_100016091260_100000179811 [1,0,0,0,1,0|1,0,0]=3 1994 B10R1.66 O=C(O)CNC1CCOC1 269956a_100016091260_100000731011 [1,0,0,0,1,0|2,0,0]=4 1995 B10R1.66 O=C([O-])CNC1CCCC1 34a_100000211070_100020667443 [1,0,0,0,1,0|1,0,1]=4 1996 B10R1.66 O=C([O-])COC1CCCC1 34a_100000210269_100020667443 [1,0,0,0,1,0|1,0,1]=4 1997 B10R1.66 O=C([O-])CSC1CCCC1 62a_100011217020_100020667443 [1,0,0,0,1,0|1,0,1]=4 1998 B10R1.66 O=C([O-])CSC1CCCC1 62a_100020667443_100000179811 [1,0,0,0,1,0|1,0,1]=4 1999 B10R1.66 [13CH3]C(=O)CCC1CCCC1 1458a_100000211120_200025704644 [1,0,0,0,1,0|1,0,0]=3 2000 B10R1.66 [13CH3]C(=O)CCC1CCCO1 1458a_100011247709_200025704644 [1,0,0,0,1,0|2,0,0]=4 2001 B10R1.66 [13CH3]C(=O)CCN1CCCC1 1458a_100000738983_200025704644 [1,0,0,0,1,0|2,0,0]=4 2002 B10R1.66 [13CH3]C(=O)COC1CCCC1 1458a_100000741352_200025704644 [1,0,0,0,1,0|2,0,0]=4 2003 B10R1.204 C[C@H](NC1CCC1)C(=O)O 269956a_100000743915_100000749161 [0,0,0,0,2,0|2,0,0]=4 2004 B12R0.299 CCCC(CC)NCC(C)C(=O)O 269956a_100000749485_100011219200 [0,0,1,0,0,1|1,0,0]=3 2005 B12R0.299 CCCC(CC)NCC(F)C(=O)O 269956a_100000084737_100011219200 [0,0,1,0,0,1|1,0,0]=3 2006 B12R0.299 CCCC(CC)OCC(C)C(=O)C 7a_100000032740_100011219200 [0,0,1,0,0,1|2,0,0]=4 2007 B12R0.4 CCCCCCCC(O)CC(=O)C 1458a_200011667753_200000210301 [0,0,1,0,0,1|2,0,0]=4 2008 B12R0.4 CCCCCCCC(O)CC(=O)[13CH3] 1458a_200011667753_200025704644 [0,0,1,0,0,1|2,0,0]=4 2009 B12R0.4 CCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210614 [0,0,1,0,0,1|2,0,0]=4 2010 B12R0.4 CCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210326 [0,0,1,0,0,1|2,0,0]=4 2011 B12R1.252 C=C(Br)CCOC1CCCCC1 34a_100009813270_100000210327 [1,0,0,0,0,1|2,0,0]=4 2012 B12R1.252 C=C(C)CCNC1CCCCC1 2230a_100000182618_100000730704 [1,0,0,0,0,1|2,0,0]=4 2013 B12R1.252 C=C(C)CCNC1CCCCC1 34a_100000182618_100000730704 [1,0,0,0,0,1|2,0,0]=4 2014 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000210231_100000730704 [1,0,0,0,0,1|2,0,0]=4 2015 B12R1.252 C=C(C)CCOC1CCCCC1 34a_100000764851_100000210327 [1,0,0,0,0,1|2,0,0]=4 2016 B12R1.252 C=C(C)CCOC1CCCCC1 7a_100000210231_100000730704 [1,0,0,0,0,1|2,0,0]=4 2017 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000210327_100000730704 [1,0,0,0,0,1|2,0,0]=4 2018 B12R1.252 C=C(C)CCSC1CCCCC1 62a_100000730704_100000210327 [1,0,0,0,0,1|2,0,0]=4 2019 B12R1.252 C=C(C)CNCC1CCCCC1 2230a_100000210473_100000748629 [1,0,0,0,0,1|2,0,0]=4 2020 B12R1.252 C=C(C)CNCC1CCCCC1 34a_100000210473_100000748629 [1,0,0,0,0,1|2,0,0]=4 2021 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000210245_100000211423 [1,0,0,0,0,1|2,0,0]=4 2022 B12R1.252 C=C(C)COCC1CCCCC1 34a_100000212181_100000748629 [1,0,0,0,0,1|2,0,0]=4 2023 B12R1.252 C=C(C)COCC1CCCCC1 7a_100000212181_100000748629 [1,0,0,0,0,1|2,0,0]=4 2024 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000211423_100000211660 [1,0,0,0,0,1|2,0,0]=4 2025 B12R1.252 C=C(C)CSCC1CCCCC1 62a_100000748629_100000211423 [1,0,0,0,0,1|2,0,0]=4 2026 B12R1.252 C=C(F)CNCC1CCCCC1 2230a_100000210473_100009893438 [1,0,0,0,0,1|2,0,0]=4 2027 B12R1.252 C=C(F)CNCC1CCCCC1 34a_100000210473_100009893438 [1,0,0,0,0,1|2,0,0]=4 2028 B12R1.252 C=C(F)COCC1CCCCC1 34a_100000212181_100009893438 [1,0,0,0,0,1|2,0,0]=4 2029 B12R1.252 C=C(F)COCC1CCCCC1 34a_200010262243_100000211423 [1,0,0,0,0,1|2,0,0]=4 2030 B12R1.252 C=C(F)COCC1CCCCC1 7a_100000212181_100000042424 [1,0,0,0,0,1|2,0,0]=4 2031 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000042424_100000211423 [1,0,0,0,0,1|2,0,0]=4 2032 B12R1.252 C=C(F)CSCC1CCCCC1 62a_100000211423_100000042424 [1,0,0,0,0,1|2,0,0]=4 2033 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000070787_100011713725 [1,0,0,0,0,1|1,0,0]=3 2034 B12R1.252 CC(=O)CCCC1CCCCC1 1458a_100000211478_200000210301 [1,0,0,0,0,1|1,0,0]=3 2035 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000070787_100000690320 [1,0,0,0,0,1|2,0,0]=4 2036 B12R1.252 CC(=O)CCCN1CCCCC1 1458a_100000742516_200000210301 [1,0,0,0,0,1|2,0,0]=4 2037 B12R1.252 CC(=O)CCOC1CCCCC1 1458a_100000070787_100011211530 [1,0,0,0,0,1|1,0,0]=3 2038 B12R1.252 CC(=O)CCOC1CCCCC1 34a_100000759926_100000210327 [1,0,0,0,0,1|1,0,0]=3 2039 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000210231_100000053229 [1,0,0,0,0,1|1,0,0]=3 2040 B12R1.252 CC(=O)CCOC1CCCCC1 7a_100000759926_100000210327 [1,0,0,0,0,1|1,0,0]=3 2041 B12R1.252 CC(=O)CCOC1CCCCO1 1458a_100000070787_100000744793 [1,0,0,0,0,1|2,0,0]=4 2042 B12R1.252 CC(=O)CCOC1CCCOC1 34a_100000759926_100000693364 [1,0,0,0,0,1|2,0,0]=4 2043 B12R1.252 CC(=O)CCOC1CCCOC1 7a_100000759926_100000693364 [1,0,0,0,0,1|2,0,0]=4 2044 B12R1.252 CC(=O)CCOC1CCCSC1 7a_100015962668_100000053229 [1,0,0,0,0,1|2,0,0]=4 2045 B12R1.252 CC(=O)CCOC1CCOCC1 7a_100000759926_100000686592 [1,0,0,0,0,1|2,0,0]=4 2046 B12R1.252 CC(=O)CCOC1CCSCC1 34a_100000759926_100000069128 [1,0,0,0,0,1|2,0,0]=4 2047 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000731022_100000053229 [1,0,0,0,0,1|2,0,0]=4 2048 B12R1.252 CC(=O)CCOC1CCSCC1 7a_100000759926_100011500858 [1,0,0,0,0,1|2,0,0]=4 2049 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000053229_100000210327 [1,0,0,0,0,1|1,0,0]=3 2050 B12R1.252 CC(=O)CCSC1CCCCC1 62a_100000210327_100000053229 [1,0,0,0,0,1|1,0,0]=3 2051 B12R1.252 CC(=O)CCSC1CCCOC1 62a_100000053229_100000693364 [1,0,0,0,0,1|2,0,0]=4 2052 B12R1.252 CC(=O)CCSC1CCOCC1 62a_100000053229_100011324220 [1,0,0,0,0,1|2,0,0]=4 2053 B12R1.252 CC(=O)CCSC1CCSCC1 62a_100000053229_100000069128 [1,0,0,0,0,1|2,0,0]=4 2054 B12R1.252 CC(=O)COCC1CCCCC1 34a_100000211253_100000211423 [1,0,0,0,0,1|1,0,0]=3 2055 B12R1.252 CC(=O)COCC1CCCCO1 1458a_100011223378_200000210301 [1,0,0,0,0,1|2,0,0]=4 2056 B12R1.252 CC(=O)COCC1CCCCO1 34a_100000211253_100000211543 [1,0,0,0,0,1|2,0,0]=4 2057 B12R1.252 CC(=O)COCC1CCCOC1 34a_100000211253_100000741521 [1,0,0,0,0,1|2,0,0]=4 2058 B12R1.252 CC(=O)COCC1CCOCC1 34a_100000211253_100000754603 [1,0,0,0,0,1|2,0,0]=4 2059 B12R1.252 CC(=O)NCCC1CCCCC1 11a_100000738074_100015343762 [1,0,0,0,0,1|1,0,0]=3 2060 B12R1.252 CC(=O)NCCC1CCCCC1 1626a_100000738074_100015343762 [1,0,0,0,0,1|1,0,0]=3 2061 B12R1.252 CC(=O)NCCC1CCCCC1 240690a_100000738074_100015343762 [1,0,0,0,0,1|1,0,0]=3 2062 B12R1.252 CC(=O)NCCC1CCCCC1 527a_100000738074_100103153847 [1,0,0,0,0,1|1,0,0]=3 2063 B12R1.252 CC(=O)NCCC1CCCCO1 11a_100015183643_100015343762 [1,0,0,0,0,1|2,0,0]=4 2064 B12R1.252 CC(=O)NCCC1CCCCO1 1626a_100015183643_100015343762 [1,0,0,0,0,1|2,0,0]=4 2065 B12R1.252 CC(=O)NCCC1CCCCO1 240690a_100015183643_100015343762 [1,0,0,0,0,1|2,0,0]=4 2066 B12R1.252 CC(=O)NCCC1CCCCO1 527a_100015183643_100103153847 [1,0,0,0,0,1|2,0,0]=4 2067 B12R1.252 CC(=O)NCCC1CCOCC1 11a_100000755988_100015343762 [1,0,0,0,0,1|2,0,0]=4 2068 B12R1.252 CC(=O)NCCC1CCOCC1 1626a_100000755988_100015343762 [1,0,0,0,0,1|2,0,0]=4 2069 B12R1.252 CC(=O)NCCC1CCOCC1 240690a_100000755988_100015343762 [1,0,0,0,0,1|2,0,0]=4 2070 B12R1.252 CC(=O)NCCC1CCOCC1 527a_100000755988_100103153847 [1,0,0,0,0,1|2,0,0]=4 2071 B12R1.252 CC(=O)NCCN1CCCCC1 240690a_100000216509_100015343762 [1,0,0,0,0,1|2,0,0]=4 2072 B12R1.252 CC(=O)NCCN1CCCCC1 527a_100000216509_100103153847 [1,0,0,0,0,1|2,0,0]=4 2073 B12R1.252 CC(=O)NNCC1CCCCC1 22a_100000740227_100000070787 [1,0,0,0,0,1|2,0,0]=4 2074 B12R1.252 CC(=O)OCNC1CCCCC1 34a_100000182618_100009813279 [1,0,0,0,0,1|2,0,0]=4 2075 B12R1.252 CC(=O)OCOC1CCCCC1 34a_100000210231_100009813279 [1,0,0,0,0,1|2,0,0]=4 2076 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000076356_100000210327 [1,0,0,0,0,1|2,0,0]=4 2077 B12R1.252 CC(=O)OCSC1CCCCC1 62a_100000210327_100000076356 [1,0,0,0,0,1|2,0,0]=4 2078 B12R1.252 CC(O)CCNC1CCCCC1 2230a_100000182618_100012276601 [1,0,0,0,0,1|1,0,1]=4 2079 B12R1.252 CC(O)CCNC1CCCCC1 270004a_200000755665_100000210434 [1,0,0,0,0,1|1,0,1]=4 2080 B12R1.252 CC(O)CCNC1CCCCC1 34a_100000182618_100012276601 [1,0,0,0,0,1|1,0,1]=4 2081 B12R1.252 CC(O)CCOC1CCCCC1 34a_100000210231_100012276601 [1,0,0,0,0,1|1,0,1]=4 2082 B12R1.252 CC(O)CCOC1CCCCC1 7a_100000210231_100012276601 [1,0,0,0,0,1|1,0,1]=4 2083 B12R1.252 CC(O)CCSC1CCCCC1 62a_100000210327_100012276601 [1,0,0,0,0,1|1,0,1]=4 2084 B12R1.252 CC(O)CCSC1CCCCC1 62a_100012276601_100000210327 [1,0,0,0,0,1|1,0,1]=4 2085 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210473_100011218427 [1,0,0,0,0,1|1,0,1]=4 2086 B12R1.252 CC(O)CNCC1CCCCC1 2230a_100000210904_100000211423 [1,0,0,0,0,1|1,0,1]=4 2087 B12R1.252 CC(O)CNCC1CCCCC1 269862a_100000210904_100000211278 [1,0,0,0,0,1|1,0,1]=4 2088 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210473_100011218427 [1,0,0,0,0,1|1,0,1]=4 2089 B12R1.252 CC(O)CNCC1CCCCC1 34a_100000210904_100000211423 [1,0,0,0,0,1|1,0,1]=4 2090 B12R1.252 CC(O)COCC1CCCCC1 34a_100000212181_100011218427 [1,0,0,0,0,1|1,0,1]=4 2091 B12R1.252 CC(O)COCC1CCCCC1 7a_100000212181_100011218427 [1,0,0,0,0,1|1,0,1]=4 2092 B12R1.252 CC(O)CSCC1CCCCC1 62a_100000211423_100011218427 [1,0,0,0,0,1|1,0,1]=4 2093 B12R1.252 CC(O)CSCC1CCCCC1 62a_100011218427_100000211423 [1,0,0,0,0,1|1,0,1]=4 2094 B12R1.252 C[C@@H](O)CNCC1CCCCC1 2230a_100000210473_100009817552 [1,0,0,0,0,1|1,0,1]=4 2095 B12R1.252 C[C@@H](O)CNCC1CCCCC1 34a_100000210473_100009817552 [1,0,0,0,0,1|1,0,1]=4 2096 B12R1.252 C[C@@H](O)COCC1CCCCC1 34a_100000212181_100009817552 [1,0,0,0,0,1|1,0,1]=4 2097 B12R1.252 C[C@@H](O)COCC1CCCCC1 7a_100000212181_100009817552 [1,0,0,0,0,1|1,0,1]=4 2098 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100000211423_100009817552 [1,0,0,0,0,1|1,0,1]=4 2099 B12R1.252 C[C@@H](O)CSCC1CCCCC1 62a_100009817552_100000211423 [1,0,0,0,0,1|1,0,1]=4 2100 B12R1.252 NC(=O)CCNC1CCCCC1 2230a_100000182618_100000744528 [1,0,0,0,0,1|1,0,0]=3 2101 B12R1.252 NC(=O)CCNC1CCCCC1 34a_100000182618_100000731001 [1,0,0,0,0,1|1,0,0]=3 2102 B12R1.252 NC(=O)CCNC1CCCOC1 2230a_100000719290_100000744528 [1,0,0,0,0,1|2,0,0]=4 2103 B12R1.252 NC(=O)CCNC1CCCOC1 34a_100000719290_100000731001 [1,0,0,0,0,1|2,0,0]=4 2104 B12R1.252 NC(=O)CCNC1CCOCC1 2230a_100000741149_100000744528 [1,0,0,0,0,1|2,0,0]=4 2105 B12R1.252 NC(=O)CCNC1CCOCC1 34a_100000741149_100000731001 [1,0,0,0,0,1|2,0,0]=4 2106 B12R1.252 NC(=O)CCNC1CCSCC1 2230a_100000748639_100000744528 [1,0,0,0,0,1|2,0,0]=4 2107 B12R1.252 NC(=O)CCNC1CCSCC1 34a_100000748639_100000731001 [1,0,0,0,0,1|2,0,0]=4 2108 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000210231_100000731001 [1,0,0,0,0,1|1,0,0]=3 2109 B12R1.252 NC(=O)CCOC1CCCCC1 34a_100000757172_100000210327 [1,0,0,0,0,1|1,0,0]=3 2110 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000210231_100000744528 [1,0,0,0,0,1|1,0,0]=3 2111 B12R1.252 NC(=O)CCOC1CCCCC1 7a_100000757172_100000210327 [1,0,0,0,0,1|1,0,0]=3 2112 B12R1.252 NC(=O)CCOC1CCCCO1 34a_100000033831_100000731001 [1,0,0,0,0,1|2,0,0]=4 2113 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000754041_100000731001 [1,0,0,0,0,1|2,0,0]=4 2114 B12R1.252 NC(=O)CCOC1CCCOC1 34a_100000757172_100000693364 [1,0,0,0,0,1|2,0,0]=4 2115 B12R1.252 NC(=O)CCOC1CCCOC1 7a_100000757172_100000693364 [1,0,0,0,0,1|2,0,0]=4 2116 B12R1.252 NC(=O)CCOC1CCCSC1 7a_100015962668_100000744528 [1,0,0,0,0,1|2,0,0]=4 2117 B12R1.252 NC(=O)CCOC1CCOCC1 34a_100000744328_100000731001 [1,0,0,0,0,1|2,0,0]=4 2118 B12R1.252 NC(=O)CCOC1CCOCC1 7a_100000757172_100000686592 [1,0,0,0,0,1|2,0,0]=4 2119 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000731022_100000731001 [1,0,0,0,0,1|2,0,0]=4 2120 B12R1.252 NC(=O)CCOC1CCSCC1 34a_100000757172_100000069128 [1,0,0,0,0,1|2,0,0]=4 2121 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000731022_100000744528 [1,0,0,0,0,1|2,0,0]=4 2122 B12R1.252 NC(=O)CCOC1CCSCC1 7a_100000757172_100011500858 [1,0,0,0,0,1|2,0,0]=4 2123 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000210327_100000744528 [1,0,0,0,0,1|1,0,0]=3 2124 B12R1.252 NC(=O)CCSC1CCCCC1 62a_100000744528_100000210327 [1,0,0,0,0,1|1,0,0]=3 2125 B12R1.252 NC(=O)CCSC1CCCOC1 62a_100000744528_100000693364 [1,0,0,0,0,1|2,0,0]=4 2126 B12R1.252 NC(=O)CCSC1CCOCC1 62a_100000744528_100011324220 [1,0,0,0,0,1|2,0,0]=4 2127 B12R1.252 NC(=O)CCSC1CCSCC1 62a_100000744528_100000069128 [1,0,0,0,0,1|2,0,0]=4 2128 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000210473_100000747473 [1,0,0,0,0,1|1,0,0]=3 2129 B12R1.252 NC(=O)CNCC1CCCCC1 2230a_100000711301_100000211423 [1,0,0,0,0,1|1,0,0]=3 2130 B12R1.252 NC(=O)CNCC1CCCCC1 34a_100000210473_100000187820 [1,0,0,0,0,1|1,0,0]=3 2131 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000174945_100000747473 [1,0,0,0,0,1|2,0,0]=4 2132 B12R1.252 NC(=O)CNCC1CCCCO1 2230a_100000711301_100000211543 [1,0,0,0,0,1|2,0,0]=4 2133 B12R1.252 NC(=O)CNCC1CCCCO1 34a_100000174945_100000187820 [1,0,0,0,0,1|2,0,0]=4 2134 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000711301_100000741521 [1,0,0,0,0,1|2,0,0]=4 2135 B12R1.252 NC(=O)CNCC1CCCOC1 2230a_100000720124_100000747473 [1,0,0,0,0,1|2,0,0]=4 2136 B12R1.252 NC(=O)CNCC1CCCOC1 34a_100000720124_100000187820 [1,0,0,0,0,1|2,0,0]=4 2137 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000711301_100000754603 [1,0,0,0,0,1|2,0,0]=4 2138 B12R1.252 NC(=O)CNCC1CCOCC1 2230a_100000746373_100000747473 [1,0,0,0,0,1|2,0,0]=4 2139 B12R1.252 NC(=O)CNCC1CCOCC1 34a_100000746373_100000187820 [1,0,0,0,0,1|2,0,0]=4 2140 B12R1.252 NC(=O)CNCC1CCSCC1 2230a_100015188806_100000747473 [1,0,0,0,0,1|2,0,0]=4 2141 B12R1.252 NC(=O)CNCC1CCSCC1 34a_100015188806_100000187820 [1,0,0,0,0,1|2,0,0]=4 2142 B12R1.252 NC(=O)COCC1CCCCC1 34a_100000212181_100000187820 [1,0,0,0,0,1|1,0,0]=3 2143 B12R1.252 NC(=O)COCC1CCCCC1 7a_100000212181_100000187820 [1,0,0,0,0,1|1,0,0]=3 2144 B12R1.252 NC(=O)COCC1CCCCN1 34a_100000210821_100000187820 [1,0,0,0,0,1|2,0,0]=4 2145 B12R1.252 NC(=O)COCC1CCCCO1 34a_100000211370_100000187820 [1,0,0,0,0,1|2,0,0]=4 2146 B12R1.252 NC(=O)COCC1CCCCO1 7a_100000211370_100000187820 [1,0,0,0,0,1|2,0,0]=4 2147 B12R1.252 NC(=O)COCC1CCCNC1 34a_100000211344_100000187820 [1,0,0,0,0,1|2,0,0]=4 2148 B12R1.252 NC(=O)COCC1CCCOC1 34a_100000741520_100000187820 [1,0,0,0,0,1|2,0,0]=4 2149 B12R1.252 NC(=O)COCC1CCNCC1 34a_100000738675_100000187820 [1,0,0,0,0,1|2,0,0]=4 2150 B12R1.252 NC(=O)COCC1CCOCC1 34a_100000749013_100000187820 [1,0,0,0,0,1|2,0,0]=4 2151 B12R1.252 NC(=O)COCC1CCSCC1 34a_100000070558_100000187820 [1,0,0,0,0,1|2,0,0]=4 2152 B12R1.252 NC(=O)COCC1CCSCC1 7a_100000070558_100000187820 [1,0,0,0,0,1|2,0,0]=4 2153 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000211423_100000747473 [1,0,0,0,0,1|1,0,0]=3 2154 B12R1.252 NC(=O)CSCC1CCCCC1 62a_100000747473_100000211423 [1,0,0,0,0,1|1,0,0]=3 2155 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000211543_100000747473 [1,0,0,0,0,1|2,0,0]=4 2156 B12R1.252 NC(=O)CSCC1CCCCO1 62a_100000747473_100000211543 [1,0,0,0,0,1|2,0,0]=4 2157 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000741521_100000747473 [1,0,0,0,0,1|2,0,0]=4 2158 B12R1.252 NC(=O)CSCC1CCCOC1 62a_100000747473_100000741521 [1,0,0,0,0,1|2,0,0]=4 2159 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000747473_100000749018 [1,0,0,0,0,1|2,0,0]=4 2160 B12R1.252 NC(=O)CSCC1CCOCC1 62a_100000754603_100000747473 [1,0,0,0,0,1|2,0,0]=4 2161 B12R1.252 O=C(O)CNCC1CCCCC1 269956a_100016091260_100000211423 [1,0,0,0,0,1|0,0,0]=2 2162 B12R1.252 O=C(O)CNCC1CCCCO1 269956a_100016091260_100000211543 [1,0,0,0,0,1|1,0,0]=3 2163 B12R1.252 O=C(O)CNCC1CCCOC1 269956a_100016091260_100000741521 [1,0,0,0,0,1|1,0,0]=3 2164 B12R1.252 O=C(O)CNCC1CCOCC1 269956a_100016091260_100000754603 [1,0,0,0,0,1|1,0,0]=3 2165 B12R1.252 O=C(O)CONC1CCCCC1 269956a_100000106656_100000210327 [1,0,0,0,0,1|1,0,0]=3 2166 B12R1.252 O=C(O)CONC1CCCOC1 269956a_100000106656_100000693364 [1,0,0,0,0,1|2,0,0]=4 2167 B12R1.252 O=C(O)CONC1CCOCC1 269956a_100000106656_100011324220 [1,0,0,0,0,1|2,0,0]=4 2168 B12R1.252 O=C(O)CONC1CCSCC1 269956a_100000106656_100000069128 [1,0,0,0,0,1|2,0,0]=4 2169 B12R1.252 O=C([O-])CNCC1CCCCC1 34a_100000210473_100020667443 [1,0,0,0,0,1|0,0,1]=3 2170 B12R1.252 O=C([O-])CNCC1CCCCO1 34a_100000174945_100020667443 [1,0,0,0,0,1|1,0,1]=4 2171 B12R1.252 O=C([O-])CNCC1CCCOC1 34a_100000720124_100020667443 [1,0,0,0,0,1|1,0,1]=4 2172 B12R1.252 O=C([O-])CNCC1CCOCC1 34a_100000746373_100020667443 [1,0,0,0,0,1|1,0,1]=4 2173 B12R1.252 O=C([O-])CNCC1CCSCC1 34a_100015188806_100020667443 [1,0,0,0,0,1|1,0,1]=4 2174 B12R1.252 O=C([O-])COCC1CCCCC1 34a_100000212181_100020667443 [1,0,0,0,0,1|0,0,1]=3 2175 B12R1.252 O=C([O-])COCC1CCCCN1 34a_100000210821_100020667443 [1,0,0,0,0,1|1,0,1]=4 2176 B12R1.252 O=C([O-])COCC1CCCCO1 34a_100000211370_100020667443 [1,0,0,0,0,1|1,0,1]=4 2177 B12R1.252 O=C([O-])COCC1CCCNC1 34a_100000211344_100020667443 [1,0,0,0,0,1|1,0,1]=4 2178 B12R1.252 O=C([O-])COCC1CCCOC1 34a_100000741520_100020667443 [1,0,0,0,0,1|1,0,1]=4 2179 B12R1.252 O=C([O-])COCC1CCNCC1 34a_100000738675_100020667443 [1,0,0,0,0,1|1,0,1]=4 2180 B12R1.252 O=C([O-])COCC1CCOCC1 34a_100000749013_100020667443 [1,0,0,0,0,1|1,0,1]=4 2181 B12R1.252 O=C([O-])COCC1CCSCC1 34a_100000070558_100020667443 [1,0,0,0,0,1|1,0,1]=4 2182 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100000211423_100020667443 [1,0,0,0,0,1|0,0,1]=3 2183 B12R1.252 O=C([O-])CSCC1CCCCC1 62a_100020667443_100000211423 [1,0,0,0,0,1|0,0,1]=3 2184 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100000211543_100020667443 [1,0,0,0,0,1|1,0,1]=4 2185 B12R1.252 O=C([O-])CSCC1CCCCO1 62a_100020667443_100000211543 [1,0,0,0,0,1|1,0,1]=4 2186 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100000741521_100020667443 [1,0,0,0,0,1|1,0,1]=4 2187 B12R1.252 O=C([O-])CSCC1CCCOC1 62a_100020667443_100000741521 [1,0,0,0,0,1|1,0,1]=4 2188 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100000754603_100020667443 [1,0,0,0,0,1|1,0,1]=4 2189 B12R1.252 O=C([O-])CSCC1CCOCC1 62a_100020667443_100000749018 [1,0,0,0,0,1|1,0,1]=4 2190 B12R1.252 O=[N+]([O-])CNCC1CCCCC1 34a_100000210473_100000761209 [1,0,0,0,0,1|1,0,1]=4 2191 B12R1.252 O=[N+]([O-])COCC1CCCCC1 34a_100000212181_100000761209 [1,0,0,0,0,1|1,0,1]=4 2192 B12R1.252 O=[N+]([O-])CSCC1CCCCC1 62a_100000211423_100000761209 [1,0,0,0,0,1|1,0,1]=4 2193 B12R1.252 [13CH3]C(=O)CCCC1CCCCC1 1458a_100000211478_200025704644 [1,0,0,0,0,1|1,0,0]=3 2194 B12R1.252 [13CH3]C(=O)CCCN1CCCCC1 1458a_100000742516_200025704644 [1,0,0,0,0,1|2,0,0]=4 2195 B12R1.252 [13CH3]C(=O)COCC1CCCCO1 1458a_100011223378_200025704644 [1,0,0,0,0,1|2,0,0]=4 2196 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000070787_100000722644 [1,0,0,0,0,1|2,0,0]=4 2197 B12R1.1343 CC(=O)CCN1CCCCCC1 1458a_100000740320_200000210301 [1,0,0,0,0,1|2,0,0]=4 2198 B12R1.1343 CC(=O)CCN1CCCCCC1 269982a_100000185865_100000053229 [1,0,0,0,0,1|2,0,0]=4 2199 B12R1.1343 CC(=O)CCN1CCCOCC1 269982a_100000685342_100000053229 [1,0,0,0,0,1|2,0,0]=4 2200 B12R1.1343 CC(=O)COC1CCCCCC1 34a_100000211253_100011217769 [1,0,0,0,0,1|2,0,0]=4 2201 B12R1.1343 CC(=O)NCC1CCCCCC1 11a_100015204231_100015343762 [1,0,0,0,0,1|2,0,0]=4 2202 B12R1.1343 CC(=O)NCC1CCCCCC1 1626a_100015204231_100015343762 [1,0,0,0,0,1|2,0,0]=4 2203 B12R1.1343 CC(=O)NCC1CCCCCC1 240690a_100015204231_100015343762 [1,0,0,0,0,1|2,0,0]=4 2204 B12R1.1343 CC(=O)NCC1CCCCCC1 527a_100015204231_100103153847 [1,0,0,0,0,1|2,0,0]=4 2205 B12R1.1343 NC(=O)CCN1CCCCCC1 2230a_100000185865_100000744528 [1,0,0,0,0,1|2,0,0]=4 2206 B12R1.1343 NC(=O)CCN1CCCCCC1 269982a_100000185865_100000744528 [1,0,0,0,0,1|2,0,0]=4 2207 B12R1.1343 NC(=O)CCN1CCCCCC1 34a_100000185865_100000731001 [1,0,0,0,0,1|2,0,0]=4 2208 B12R1.1343 NC(=O)CCN1CCCOCC1 2230a_100000685342_100000744528 [1,0,0,0,0,1|2,0,0]=4 2209 B12R1.1343 NC(=O)CCN1CCCOCC1 269982a_100000685342_100000744528 [1,0,0,0,0,1|2,0,0]=4 2210 B12R1.1343 NC(=O)CCN1CCCOCC1 34a_100000685342_100000731001 [1,0,0,0,0,1|2,0,0]=4 2211 B12R1.1343 NC(=O)CNC1CCCCCC1 2230a_100000210984_100000747473 [1,0,0,0,0,1|2,0,0]=4 2212 B12R1.1343 NC(=O)CNC1CCCCCC1 34a_100000210984_100000187820 [1,0,0,0,0,1|2,0,0]=4 2213 B12R1.1343 NC(=O)COC1CCCCCC1 34a_100000210887_100000187820 [1,0,0,0,0,1|2,0,0]=4 2214 B12R1.1343 NC(=O)COC1CCCCCC1 7a_100000210887_100000187820 [1,0,0,0,0,1|2,0,0]=4 2215 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100000747473_100011217769 [1,0,0,0,0,1|2,0,0]=4 2216 B12R1.1343 NC(=O)CSC1CCCCCC1 62a_100011217769_100000747473 [1,0,0,0,0,1|2,0,0]=4 2217 B12R1.1343 O=C(O)CNC1CCCCCC1 269956a_100016091260_100011217769 [1,0,0,0,0,1|1,0,0]=3 2218 B12R1.1343 O=C([O-])CNC1CCCCCC1 34a_100000210984_100020667443 [1,0,0,0,0,1|1,0,1]=4 2219 B12R1.1343 O=C([O-])COC1CCCCCC1 34a_100000210887_100020667443 [1,0,0,0,0,1|1,0,1]=4 2220 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100011217769_100020667443 [1,0,0,0,0,1|1,0,1]=4 2221 B12R1.1343 O=C([O-])CSC1CCCCCC1 62a_100020667443_100011217769 [1,0,0,0,0,1|1,0,1]=4 2222 B12R1.1343 [13CH3]C(=O)CCN1CCCCCC1 1458a_100000740320_200025704644 [1,0,0,0,0,1|2,0,0]=4 2223 B12R1.260 CN(CC(=O)O)CC1CCCC1 269956a_100000746989_100000740388 [0,0,0,0,1,1|2,0,0]=4 2224 B14R1.423 CC(CN1CCCCC1)NCC(=O)O 269956a_100016091260_100009831500 [0,0,0,0,0,2|2,0,0]=4 2225 B14R1.818 CC(=O)OC(C)SCC1CCCCC1 62a_100000211423_100009818208 [0,0,0,0,0,2|2,0,0]=4 2226 B14R1.818 CC(=O)OC(C)SCC1CCCCC1 62a_100009818208_100000211423 [0,0,0,0,0,2|2,0,0]=4 2227 B14R1.818 CN(CCC1CCCCC1)CC(=O)O 269956a_100000746989_100011273959 [0,0,0,0,0,2|2,0,0]=4 2228 B14R1.818 CN(COC1CCCCC1)CC(=O)O 269956a_100000746989_100011935260 [0,0,0,0,0,2|2,0,0]=4 2229 B14R1.818 O=C(O)CC(O)CNC1CCCCC1 269956a_100011218706_100000210327 [0,0,0,0,0,2|1,0,0]=3 2230 B14R1.818 O=C(O)CC(O)CNC1CCCOC1 269956a_100011218706_100000693364 [0,0,0,0,0,2|2,0,0]=4 2231 B14R1.818 O=C(O)CC(O)CNC1CCOCC1 269956a_100011218706_100011324220 [0,0,0,0,0,2|2,0,0]=4 2232 B14R1.818 O=C(O)CC(O)CNC1CCSCC1 269956a_100011218706_100000069128 [0,0,0,0,0,2|2,0,0]=4 2233 B14R1.13081 CN(CC(=O)O)CC1CCCCCC1 269956a_100000746989_200000696569 [0,0,0,0,0,2|2,0,0]=4 2234 B14R1.6449 CC(=O)C(C)COCC1CCCCC1 34a_100000032740_100000211423 [0,0,0,0,0,2|2,0,0]=4 2235 B14R1.6449 CC(=O)C(C)COCC1CCCCC1 7a_100000032740_100000211423 [0,0,0,0,0,2|2,0,0]=4 2236 B14R1.6449 CC(=O)C(C)NCCC1CCCCC1 2230a_100000738074_100009814033 [0,0,0,0,0,2|2,0,0]=4 2237 B14R1.6449 CC(=O)C(C)OCCC1CCCCC1 34a_100000212229_100011209188 [0,0,0,0,0,2|2,0,0]=4 2238 B14R1.6449 CC(=O)C(C)OCCC1CCCCC1 7a_100011217863_100000179758 [0,0,0,0,0,2|2,0,0]=4 2239 B14R1.6449 CC(=O)C(C)OCOC1CCCCC1 34a_100000212229_100011935260 [0,0,0,0,0,2|2,0,0]=4 2240 B14R1.6449 CC(=O)C(C)SCCC1CCCCC1 62a_100009814033_100012355289 [0,0,0,0,0,2|2,0,0]=4 2241 B14R1.6449 CC(=O)C(C)SCCC1CCCCC1 62a_100012355289_100009814033 [0,0,0,0,0,2|2,0,0]=4 2242 B14R1.6449 CC(=O)C(C)SCOC1CCCCC1 62a_100009814033_100011935260 [0,0,0,0,0,2|2,0,0]=4 2243 B14R1.6449 CC(=O)C(C)SCOC1CCCCC1 62a_100011935260_100009814033 [0,0,0,0,0,2|2,0,0]=4 2244 B14R1.6449 CC(CNCC1CCCCC1)C(=O)O 269956a_100000749485_100000211423 [0,0,0,0,0,2|1,0,0]=3 2245 B14R1.6449 CC(CNCC1CCCCO1)C(=O)O 269956a_100000749485_100000211543 [0,0,0,0,0,2|2,0,0]=4 2246 B14R1.6449 CC(CNCC1CCCOC1)C(=O)O 269956a_100000749485_100000741521 [0,0,0,0,0,2|2,0,0]=4 2247 B14R1.6449 CC(CNCC1CCOCC1)C(=O)O 269956a_100000749485_100000754603 [0,0,0,0,0,2|2,0,0]=4 2248 B14R1.6449 CC(NCCC1CCCCC1)C(=O)N 2230a_100000738074_100000702099 [0,0,0,0,0,2|2,0,0]=4 2249 B14R1.6449 CC(NCCC1CCCCC1)C(=O)N 34a_100000738074_100000702099 [0,0,0,0,0,2|2,0,0]=4 2250 B14R1.6449 CC(OCCC1CCCCC1)C(=O)N 34a_100011217863_100000702099 [0,0,0,0,0,2|2,0,0]=4 2251 B14R1.6449 CC(OCCC1CCCCC1)C(=O)N 7a_100011217863_100000702099 [0,0,0,0,0,2|2,0,0]=4 2252 B14R1.6449 CC(SCCC1CCCCC1)C(=O)N 62a_100000702099_100012355289 [0,0,0,0,0,2|2,0,0]=4 2253 B14R1.6449 CC(SCCC1CCCCC1)C(=O)N 62a_100012355289_100000702099 [0,0,0,0,0,2|2,0,0]=4 2254 B14R1.6449 CC(SCOC1CCCCC1)C(=O)N 62a_100000702099_100011935260 [0,0,0,0,0,2|2,0,0]=4 2255 B14R1.6449 CC(SCOC1CCCCC1)C(=O)N 62a_100011935260_100000702099 [0,0,0,0,0,2|2,0,0]=4 2256 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 2230a_100000119354_100012355289 [0,0,0,0,0,2|2,0,0]=4 2257 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 270004a_100000119354_100011713444 [0,0,0,0,0,2|2,0,0]=4 2258 B14R1.6449 C[C@@H](NCCC1CCCCC1)C(=O)N 34a_100000119354_100011209188 [0,0,0,0,0,2|2,0,0]=4 2259 B14R1.6449 C[C@@H](NCOC1CCCCC1)C(=O)N 2230a_100000119354_100011935260 [0,0,0,0,0,2|2,0,0]=4 2260 B14R1.6449 C[C@@H](NCOC1CCCCC1)C(=O)N 34a_100000119354_100011935260 [0,0,0,0,0,2|2,0,0]=4 2261 B14R1.6449 C[C@@H](OCCC1CCCCC1)C(=O)N 34a_100000731257_100011209188 [0,0,0,0,0,2|2,0,0]=4 2262 B14R1.6449 C[C@@H](OCCC1CCCCC1)C(=O)N 7a_100000731257_100011273959 [0,0,0,0,0,2|2,0,0]=4 2263 B14R1.6449 C[C@@H](OCOC1CCCCC1)C(=O)N 34a_100000731257_100011935260 [0,0,0,0,0,2|2,0,0]=4 2264 B14R1.6449 C[C@@H](OCOC1CCCCC1)C(=O)N 7a_100000731257_100011935260 [0,0,0,0,0,2|2,0,0]=4 2265 B14R1.6449 C[C@H](NCCC1CCCCC1)C(=O)O 269956a_100000743915_100011273959 [0,0,0,0,0,2|1,0,0]=3 2266 B14R1.6449 C[C@H](NCCC1CCOCC1)C(=O)O 269956a_100000743915_100011934994 [0,0,0,0,0,2|2,0,0]=4 2267 B14R1.6449 C[C@H](NCCN1CCCCC1)C(=O)O 269956a_100000743915_100000739454 [0,0,0,0,0,2|2,0,0]=4 2268 B14R1.6449 C[C@H](NCOC1CCCCC1)C(=O)O 269956a_100000743915_100011935260 [0,0,0,0,0,2|1,0,0]=3 2269 B14R1.6449 C[C@H](OCCC1CCCCC1)C(=O)[O-] 7a_217856618621_100011273959 [0,0,0,0,0,2|1,0,1]=4 2270 B14R1.6449 C[C@H](OCOC1CCCCC1)C(=O)[O-] 7a_217856618621_100011935260 [0,0,0,0,0,2|1,0,1]=4 2271 B14R1.6449 NC(=O)C(F)NCCC1CCCCC1 2230a_100000738074_100009813875 [0,0,0,0,0,2|2,0,0]=4 2272 B14R1.6449 NC(=O)C(F)NCCC1CCCCC1 34a_100000738074_100009813875 [0,0,0,0,0,2|2,0,0]=4 2273 B14R1.6449 NC(=O)C(F)OCCC1CCCCC1 34a_100011217863_100009813875 [0,0,0,0,0,2|2,0,0]=4 2274 B14R1.6449 NC(=O)C(F)OCCC1CCCCC1 7a_100011217863_100009813875 [0,0,0,0,0,2|2,0,0]=4 2275 B14R1.6449 NC(=O)C(F)SCCC1CCCCC1 62a_100009813875_100012355289 [0,0,0,0,0,2|2,0,0]=4 2276 B14R1.6449 NC(=O)C(F)SCCC1CCCCC1 62a_100012355289_100009813875 [0,0,0,0,0,2|2,0,0]=4 2277 B14R1.6449 NC(=O)C(F)SCOC1CCCCC1 62a_100009813875_100011935260 [0,0,0,0,0,2|2,0,0]=4 2278 B14R1.6449 NC(=O)C(F)SCOC1CCCCC1 62a_100011935260_100009813875 [0,0,0,0,0,2|2,0,0]=4 2279 B14R1.6449 NC(=O)[C@@H](N)COCC1CCCCC1 34a_100000729942_100000211423 [0,0,0,0,0,2|1,0,0]=3 2280 B14R1.6449 NC(=O)[C@@H](N)COCC1CCCCO1 34a_100000729942_100000211543 [0,0,0,0,0,2|2,0,0]=4 2281 B14R1.6449 NC(=O)[C@@H](N)COCC1CCCOC1 34a_100000729942_100000741521 [0,0,0,0,0,2|2,0,0]=4 2282 B14R1.6449 NC(=O)[C@@H](N)COCC1CCOCC1 34a_100000729942_100000754603 [0,0,0,0,0,2|2,0,0]=4 2283 B14R1.6449 O=C(O)C(F)CNCC1CCCCC1 269956a_100000084737_100000211423 [0,0,0,0,0,2|1,0,0]=3 2284 B14R1.6449 O=C(O)C(F)CNCC1CCCCO1 269956a_100000084737_100000211543 [0,0,0,0,0,2|2,0,0]=4 2285 B14R1.6449 O=C(O)C(F)CNCC1CCCOC1 269956a_100000084737_100000741521 [0,0,0,0,0,2|2,0,0]=4 2286 B14R1.6449 O=C(O)C(F)CNCC1CCOCC1 269956a_100000084737_100000754603 [0,0,0,0,0,2|2,0,0]=4 2287 B14R1.6449 O=C([O-])C(F)NCCC1CCCCC1 34a_100000738074_100020610796 [0,0,0,0,0,2|1,0,1]=4 2288 B14R1.6449 O=C([O-])C(F)OCCC1CCCCC1 34a_100011217863_100020610796 [0,0,0,0,0,2|1,0,1]=4 2289 B14R1.6449 O=C([O-])C(F)SCCC1CCCCC1 62a_100012355289_100020610796 [0,0,0,0,0,2|1,0,1]=4 2290 B14R1.6449 O=C([O-])C(F)SCCC1CCCCC1 62a_100020610796_100012355289 [0,0,0,0,0,2|1,0,1]=4 2291 B14R1.6449 O=C([O-])C(F)SCOC1CCCCC1 62a_100011935260_100020610796 [0,0,0,0,0,2|1,0,1]=4 2292 B14R1.6449 O=C([O-])C(F)SCOC1CCCCC1 62a_100020610796_100011935260 [0,0,0,0,0,2|1,0,1]=4 2293 B14R1.10030 CC(=O)C(C)COC1CCCCCC1 34a_100000032740_100011217769 [0,0,0,0,0,2|2,0,0]=4 2294 B14R1.10030 CC(=O)C(C)NCC1CCCCCC1 2230a_100015204231_100009814033 [0,0,0,0,0,2|2,0,0]=4 2295 B14R1.10030 CC(=O)C(C)OCC1CCCCCC1 34a_100000212229_200000696569 [0,0,0,0,0,2|2,0,0]=4 2296 B14R1.10030 CC(=O)C(C)OCC1CCCCCC1 7a_100000699130_100000179758 [0,0,0,0,0,2|2,0,0]=4 2297 B14R1.10030 CC(=O)C(C)SCC1CCCCCC1 62a_100009814033_200000696569 [0,0,0,0,0,2|2,0,0]=4 2298 B14R1.10030 CC(=O)C(C)SCC1CCCCCC1 62a_200000696569_100009814033 [0,0,0,0,0,2|2,0,0]=4 2299 B14R1.10030 CC(CNC1CCCCCC1)C(=O)O 269956a_100000749485_100011217769 [0,0,0,0,0,2|1,0,0]=3 2300 B14R1.10030 CC(NCC1CCCCCC1)C(=O)N 2230a_100015204231_100000702099 [0,0,0,0,0,2|2,0,0]=4 2301 B14R1.10030 CC(NCC1CCCCCC1)C(=O)N 34a_100015204231_100000702099 [0,0,0,0,0,2|2,0,0]=4 2302 B14R1.10030 CC(OCC1CCCCCC1)C(=O)N 34a_100000699130_100000702099 [0,0,0,0,0,2|2,0,0]=4 2303 B14R1.10030 CC(OCC1CCCCCC1)C(=O)N 7a_100000699130_100000702099 [0,0,0,0,0,2|2,0,0]=4 2304 B14R1.10030 CC(SCC1CCCCCC1)C(=O)N 62a_100000702099_200000696569 [0,0,0,0,0,2|2,0,0]=4 2305 B14R1.10030 CC(SCC1CCCCCC1)C(=O)N 62a_200000696569_100000702099 [0,0,0,0,0,2|2,0,0]=4 2306 B14R1.10030 C[C@@H](NCC1CCCCCC1)C(=O)N 2230a_100000119354_200000696569 [0,0,0,0,0,2|2,0,0]=4 2307 B14R1.10030 C[C@@H](NCC1CCCCCC1)C(=O)N 34a_100000119354_200000696569 [0,0,0,0,0,2|2,0,0]=4 2308 B14R1.10030 C[C@@H](OCC1CCCCCC1)C(=O)N 34a_100000731257_200000696569 [0,0,0,0,0,2|2,0,0]=4 2309 B14R1.10030 C[C@@H](OCC1CCCCCC1)C(=O)N 7a_100000731257_200000696569 [0,0,0,0,0,2|2,0,0]=4 2310 B14R1.10030 C[C@H](NCC1CCCCCC1)C(=O)O 269956a_100000743915_200000696569 [0,0,0,0,0,2|1,0,0]=3 2311 B14R1.10030 C[C@H](OCC1CCCCCC1)C(=O)[O-] 7a_217856618621_200000696569 [0,0,0,0,0,2|1,0,1]=4 2312 B14R1.10030 NC(=O)C(F)NCC1CCCCCC1 2230a_100015204231_100009813875 [0,0,0,0,0,2|2,0,0]=4 2313 B14R1.10030 NC(=O)C(F)NCC1CCCCCC1 34a_100015204231_100009813875 [0,0,0,0,0,2|2,0,0]=4 2314 B14R1.10030 NC(=O)C(F)OCC1CCCCCC1 34a_100000699130_100009813875 [0,0,0,0,0,2|2,0,0]=4 2315 B14R1.10030 NC(=O)C(F)OCC1CCCCCC1 7a_100000699130_100009813875 [0,0,0,0,0,2|2,0,0]=4 2316 B14R1.10030 NC(=O)C(F)SCC1CCCCCC1 62a_100009813875_200000696569 [0,0,0,0,0,2|2,0,0]=4 2317 B14R1.10030 NC(=O)C(F)SCC1CCCCCC1 62a_200000696569_100009813875 [0,0,0,0,0,2|2,0,0]=4 2318 B14R1.10030 NC(=O)[C@@H](N)COC1CCCCCC1 34a_100000729942_100011217769 [0,0,0,0,0,2|1,0,0]=3 2319 B14R1.10030 O=C(O)C(F)CNC1CCCCCC1 269956a_100000084737_100011217769 [0,0,0,0,0,2|1,0,0]=3 2320 B14R1.10030 O=C([O-])C(F)NCC1CCCCCC1 34a_100015204231_100020610796 [0,0,0,0,0,2|1,0,1]=4 2321 B14R1.10030 O=C([O-])C(F)OCC1CCCCCC1 34a_100000699130_100020610796 [0,0,0,0,0,2|1,0,1]=4 2322 B14R1.10030 O=C([O-])C(F)SCC1CCCCCC1 62a_100020610796_200000696569 [0,0,0,0,0,2|1,0,1]=4 2323 B14R1.10030 O=C([O-])C(F)SCC1CCCCCC1 62a_200000696569_100020610796 [0,0,0,0,0,2|1,0,1]=4 2324 B14R1.10072 C[C@H](NC1CC/C=C\CCC1)C(=O)O 269956a_100000743915_100021000466 [0,0,0,0,0,2|2,0,0]=4