0 B11R0.36 CC(=O)N(CCCO)CCCO 240690a_100000212923_100015343762 [0,0,0,0,0,0|3,1,0]=4 1 B11R0.36 CC(=O)N(CCCO)CCCO 527a_100000212923_100103153847 [0,0,0,0,0,0|3,1,0]=4 2 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [0,0,0,0,0,0|2,1,0]=3 3 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [0,0,0,0,0,0|2,1,0]=3 4 B11R0.36 CCCCC(CCCC)N(C)C 270004a_100102631434_100011218081 [0,0,0,0,0,0|4,0,0]=4 5 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [0,0,0,0,0,0|3,1,0]=4 6 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [0,0,0,0,0,0|3,1,0]=4 7 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [0,0,0,0,0,0|3,1,0]=4 8 B11R0.36 CCCCN(CCC#N)C(=O)C 11a_200000177648_100015343762 [0,0,0,0,0,0|2,1,1]=4 9 B11R0.36 CCCCN(CCC#N)C(=O)C 1626a_200000177648_100015343762 [0,0,0,0,0,0|2,1,1]=4 10 B11R0.36 CCCCN(CCC#N)C(=O)C 240690a_200000177648_100015343762 [0,0,0,0,0,0|2,1,1]=4 11 B11R0.36 CCCCN(CCCC)C(=O)C 11a_100000684618_100015343762 [0,0,0,0,0,0|1,1,0]=2 12 B11R0.36 CCCCN(CCCC)C(=O)C 1626a_100000684618_100015343762 [0,0,0,0,0,0|1,1,0]=2 13 B11R0.36 CCCCN(CCCC)C(=O)C 240690a_100000684618_100015343762 [0,0,0,0,0,0|1,1,0]=2 14 B11R0.36 CCCCN(CCCC)C(=O)C 527a_100000684618_100103153847 [0,0,0,0,0,0|1,1,0]=2 15 B11R0.36 CCCCN(CCCC)C(C)C 2230a_100000207398_100000210211 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.36 CCCCN(CCCC)C(C)C 2230a_100000684618_100000210206 [0,0,0,0,0,0|2,0,1]=3 17 B11R0.36 CCCCN(CCCC)C(C)C 269982a_100000207398_100000210211 [0,0,0,0,0,0|2,0,1]=3 18 B11R0.36 CCCCN(CCCC)C(C)C 269982a_100000684618_100000210206 [0,0,0,0,0,0|2,0,1]=3 19 B11R0.36 CCCCN(CCCF)C(C)C 2230a_100000207398_100011934791 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.36 CCCCN(CCCF)C(C)C 269982a_100000207398_100011934791 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.36 CCCCN(CCCO)C(C)C 2230a_100000182298_100000210211 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.36 CCCCN(CCCO)C(C)C 2230a_100000207398_100000230001 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.36 CCCCN(CCCO)C(C)C 269982a_100000182298_100000210211 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.36 CCCCN(CCCO)C(C)C 269982a_100000207398_100011215043 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.36 CCCCN(CCOC)C(=O)C 11a_100000207391_100015343762 [0,0,0,0,0,0|2,1,0]=3 26 B11R0.36 CCCCN(CCOC)C(=O)C 1626a_100000207391_100015343762 [0,0,0,0,0,0|2,1,0]=3 27 B11R0.36 CCCCN(CCOC)C(=O)C 240690a_100000207391_100015343762 [0,0,0,0,0,0|2,1,0]=3 28 B11R0.36 CCCCN(CCOC)C(=O)C 527a_100000207391_100103153847 [0,0,0,0,0,0|2,1,0]=3 29 B11R0.36 CCCCN(CCOC)C(C)C 2230a_100000207391_100000210206 [0,0,0,0,0,0|3,0,1]=4 30 B11R0.36 CCCCN(CCOC)C(C)C 2230a_100000207398_100011201679 [0,0,0,0,0,0|3,0,1]=4 31 B11R0.36 CCCCN(CCOC)C(C)C 2230a_200000223778_100000210211 [0,0,0,0,0,0|3,0,1]=4 32 B11R0.36 CCCCN(CCOC)C(C)C 269982a_100000207391_100000210206 [0,0,0,0,0,0|3,0,1]=4 33 B11R0.36 CCCCN(CCOC)C(C)C 269982a_100000207398_100000233755 [0,0,0,0,0,0|3,0,1]=4 34 B11R0.36 CCCCN(CCOC)C(C)C 269982a_200000223778_100000210211 [0,0,0,0,0,0|3,0,1]=4 35 B11R0.36 CCCCN(CCSC)C(C)C 2230a_100000207398_100000751147 [0,0,0,0,0,0|3,0,1]=4 36 B11R0.36 CCCCN(CCSC)C(C)C 269982a_100000207398_100000212216 [0,0,0,0,0,0|3,0,1]=4 37 B11R0.36 CCCCN(COCC)C(C)C 269982a_100000207398_100000739092 [0,0,0,0,0,0|3,0,1]=4 38 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [0,0,0,0,0,0|3,1,0]=4 39 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [0,0,0,0,0,0|3,1,0]=4 40 B11R0.36 COCCN(CCOC)C(=O)C 11a_100000210589_100015343762 [0,0,0,0,0,0|3,1,0]=4 41 B11R0.36 COCCN(CCOC)C(=O)C 1626a_100000210589_100015343762 [0,0,0,0,0,0|3,1,0]=4 42 B11R0.36 COCCN(CCOC)C(=O)C 240690a_100000210589_100015343762 [0,0,0,0,0,0|3,1,0]=4 43 B11R0.36 COCCN(CCOC)C(=O)C 527a_100000210589_100103153847 [0,0,0,0,0,0|3,1,0]=4 44 B10R0.16 C=CC(CCCC)OCCC 34a_200011215037_100000210303 [1,0,0,0,0,0|3,0,0]=4 45 B10R0.16 C=CC(CCCC)OCCC 7a_200011215037_100000210303 [1,0,0,0,0,0|3,0,0]=4 46 B10R0.16 CCCCC(CCCC)NC 2230a_200011995792_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B10R0.16 CCCCC(CCCC)NC 270004a_106832991635_100011218081 [1,0,0,0,0,0|3,0,0]=4 48 B10R0.16 CCCCC(CCCC)NC 34a_200011995792_200000210301 [1,0,0,0,0,0|3,0,0]=4 49 B10R0.16 CCCCC(CCCC)N[13CH3] 2230a_200011995792_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B10R0.16 CCCCC(CCCC)N[13CH3] 34a_200011995792_200025704644 [1,0,0,0,0,0|3,0,0]=4 51 B10R0.16 CCCCC(CCCC)OC 34a_200011215786_200000210301 [1,0,0,0,0,0|3,0,0]=4 52 B10R0.16 CCCCC(CCCC)OC 7a_200011215786_200000210301 [1,0,0,0,0,0|3,0,0]=4 53 B10R0.16 CCCCC(CCCC)O[13CH3] 34a_200011215786_200025704644 [1,0,0,0,0,0|3,0,0]=4 54 B10R0.16 CCCCC(CCCC)O[13CH3] 7a_200011215786_200025704644 [1,0,0,0,0,0|3,0,0]=4 55 B10R0.16 CCCCN(CC)CCCC 2230a_100000207695_100000210211 [1,0,0,0,0,0|1,0,1]=3 56 B10R0.16 CCCCN(CC)CCCC 2230a_100000684618_100000210202 [1,0,0,0,0,0|1,0,1]=3 57 B10R0.16 CCCCN(CC)CCCC 269982a_100000207695_100000210211 [1,0,0,0,0,0|1,0,1]=3 58 B10R0.16 CCCCN(CC)CCCC 269982a_100000684618_100000204670 [1,0,0,0,0,0|1,0,1]=3 59 B10R0.16 CCCCN(CC)CCCF 2230a_100000207695_100011934791 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.16 CCCCN(CC)CCCF 269982a_100000207695_100011934791 [1,0,0,0,0,0|2,0,1]=4 61 B10R0.16 CCCCN(CC)CCCO 2230a_100000207695_100000230001 [1,0,0,0,0,0|2,0,1]=4 62 B10R0.16 CCCCN(CC)CCCO 269982a_100000207695_100011215043 [1,0,0,0,0,0|2,0,1]=4 63 B10R0.16 CCCCN(CC)CCNC 2230a_200011208488_200000210301 [1,0,0,0,0,0|2,0,1]=4 64 B10R0.16 CCCCN(CC)CCN[13CH3] 2230a_200011208488_200025704644 [1,0,0,0,0,0|2,0,1]=4 65 B10R0.16 CCCCN(CC)CCOC 2230a_100000207391_100000210202 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.16 CCCCN(CC)CCOC 2230a_100000207695_100011201679 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.16 CCCCN(CC)CCOC 2230a_100000731262_100000210211 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.16 CCCCN(CC)CCOC 269982a_100000207391_100000204670 [1,0,0,0,0,0|2,0,1]=4 69 B10R0.16 CCCCN(CC)CCOC 269982a_100000207695_100000233755 [1,0,0,0,0,0|2,0,1]=4 70 B10R0.16 CCCCN(CC)CCOC 269982a_100000731262_100000210211 [1,0,0,0,0,0|2,0,1]=4 71 B10R0.16 CCCCN(CC)CCSC 2230a_100000207695_100000751147 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.16 CCCCN(CC)CCSC 269982a_100000207695_100000212216 [1,0,0,0,0,0|2,0,1]=4 73 B10R0.16 CCCCN(CC)COCC 269982a_100000207695_100000739092 [1,0,0,0,0,0|2,0,1]=4 74 B10R0.16 CCCCN(CF)CCCC 269982a_100000684618_100015361967 [1,0,0,0,0,0|1,0,1]=3 75 B10R0.16 CCCCN(CF)CCOC 269982a_100000207391_100015361967 [1,0,0,0,0,0|2,0,1]=4 76 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [1,0,0,0,0,0|2,1,0]=4 77 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [1,0,0,0,0,0|1,1,0]=3 78 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [1,0,0,0,0,0|1,1,0]=3 79 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [1,0,0,0,0,0|1,1,0]=3 80 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [1,0,0,0,0,0|1,1,0]=3 81 B10R0.88 CCCCN(CCC)C(C)C 2230a_100000207398_100000210303 [1,0,0,0,0,0|2,0,1]=4 82 B10R0.88 CCCCN(CCC)C(C)C 2230a_106256033942_100000210211 [1,0,0,0,0,0|2,0,1]=4 83 B10R0.88 CCCCN(CCC)C(C)C 2230a_200000207744_100000210206 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.88 CCCCN(CCC)C(C)C 269982a_100000207398_100000210303 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.88 CCCCN(CCC)C(C)C 269982a_106256033942_100000210211 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.88 CCCCN(CCC)C(C)C 269982a_200000207744_100000210206 [1,0,0,0,0,0|2,0,1]=4 87 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [1,0,0,0,0,0|2,1,0]=4 88 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [1,0,0,0,0,0|2,1,0]=4 89 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [1,0,0,0,0,0|2,1,0]=4 90 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [1,0,0,0,0,0|2,1,0]=4 91 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [1,0,0,0,0,0|2,1,0]=4 92 B12R0.55 CCCCN(CCC(C)C)C(C)C 2230a_100000207398_100000210312 [0,1,0,0,0,0|2,0,1]=4 93 B12R0.55 CCCCN(CCC(C)C)C(C)C 269982a_100000207398_100000210312 [0,1,0,0,0,0|2,0,1]=4 94 B12R0.55 CCCCN(CCC(C)O)C(C)C 2230a_100000207398_100012276601 [0,1,0,0,0,0|2,0,1]=4 95 B12R0.55 CCCCN(CCC(C)O)C(C)C 269982a_100000207398_100012276601 [0,1,0,0,0,0|2,0,1]=4 96 B12R0.129 CCCCN(CC(C)CC)C(C)C 2230a_100000207398_100000748023 [0,1,0,0,0,0|2,0,1]=4 97 B12R0.129 CCCCN(CC(C)CC)C(C)C 269982a_100000207398_100000748023 [0,1,0,0,0,0|2,0,1]=4 98 B12R0.129 CCCCN(CC(C)CC)C(C)C 270004a_100000207398_100000243153 [0,1,0,0,0,0|2,0,1]=4 99 B12R0.129 CCCCN(CC(O)CC)C(C)C 2230a_100000207398_100011218378 [0,1,0,0,0,0|2,0,1]=4 100 B12R0.129 CCCCN(CC(O)CC)C(C)C 269982a_100000207398_100011218378 [0,1,0,0,0,0|2,0,1]=4 101 B12R0.129 CCCCN(C[C@@H](C)CC)C(C)C 2230a_100000207398_100009816398 [0,1,0,0,0,0|2,0,1]=4 102 B12R0.129 CCCCN(C[C@@H](C)CC)C(C)C 269982a_100000207398_100009816398 [0,1,0,0,0,0|2,0,1]=4 103 B12R0.244 CCCCCN(CCCC)C(C)C 2230a_100000207398_100000210326 [0,1,0,0,0,0|2,0,1]=4 104 B12R0.244 CCCCCN(CCCC)C(C)C 2230a_100000223497_100000210211 [0,1,0,0,0,0|2,0,1]=4 105 B12R0.244 CCCCCN(CCCC)C(C)C 269982a_100000207398_100000210215 [0,1,0,0,0,0|2,0,1]=4 106 B12R0.244 CCCCCN(CCCC)C(C)C 269982a_100000223497_100000210211 [0,1,0,0,0,0|2,0,1]=4 107 B12R0.244 CCCCN(CCCCF)C(C)C 2230a_100000207398_100000729493 [0,1,0,0,0,0|2,0,1]=4 108 B12R0.244 CCCCN(CCCCF)C(C)C 269982a_100000207398_100000729493 [0,1,0,0,0,0|2,0,1]=4 109 B12R0.244 CCCCN(CCCCO)C(=O)C 240690a_200011216965_100015343762 [0,1,0,0,0,0|1,1,0]=3 110 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_100000207398_100000210776 [0,1,0,0,0,0|2,0,1]=4 111 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_100011521146_100000210211 [0,1,0,0,0,0|2,0,1]=4 112 B12R0.244 CCCCN(CCCCO)C(C)C 2230a_200011216965_100000210206 [0,1,0,0,0,0|2,0,1]=4 113 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_100000207398_100000210776 [0,1,0,0,0,0|2,0,1]=4 114 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_100011521146_100000210211 [0,1,0,0,0,0|2,0,1]=4 115 B12R0.244 CCCCN(CCCCO)C(C)C 269982a_200011216965_100000210206 [0,1,0,0,0,0|2,0,1]=4 116 B12R0.244 CCCCN(CCCOC)C(C)C 2230a_100000207398_100000740836 [0,1,0,0,0,0|2,0,1]=4 117 B12R0.244 CCCCN(CCCOC)C(C)C 269982a_100000207398_100000740836 [0,1,0,0,0,0|2,0,1]=4 118 B12R0.244 CCCCN(CCOCC)C(C)C 2230a_100000207398_100011215890 [0,1,0,0,0,0|2,0,1]=4 119 B12R0.244 CCCCN(CCOCC)C(C)C 269982a_100000207398_100011215890 [0,1,0,0,0,0|2,0,1]=4 120 B12R0.244 CCCCN(CCSCC)C(C)C 2230a_100000207398_100000757381 [0,1,0,0,0,0|2,0,1]=4 121 B12R0.244 CCCCN(CCSCC)C(C)C 269982a_100000207398_100000757381 [0,1,0,0,0,0|2,0,1]=4 122 B12R0.244 CCCCNC(CCCC)C(=O)N 2230a_100000102301_100000748834 [0,1,0,0,0,0|2,1,0]=4 123 B12R0.244 CCCCNC(CCCC)C(=O)N 7a_106832991798_100000748834 [0,1,0,0,0,0|2,1,0]=4 124 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 2230a_100000124899_100000210211 [0,1,0,0,0,0|2,1,0]=4 125 B12R0.244 CCCCN[C@@H](CCCC)C(=O)N 34a_100000124899_100000210210 [0,1,0,0,0,0|2,1,0]=4 126 B12R0.244 CCCCOC(CCCC)C(=O)N 34a_100000210227_100000748834 [0,1,0,0,0,0|2,1,0]=4 127 B12R0.244 CCCCOC(CCCC)C(=O)N 7a_100000210227_100000748834 [0,1,0,0,0,0|2,1,0]=4 128 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000210211_100000748834 [0,1,0,0,0,0|2,1,0]=4 129 B12R0.244 CCCCSC(CCCC)C(=O)N 62a_100000748834_100000210210 [0,1,0,0,0,0|2,1,0]=4 130 B12R0.250 C=CC(=O)N(CCCC)CCCC 1626a_100000684618_100000185746 [0,1,0,0,0,0|1,1,0]=3 131 B12R0.250 C=CC(=O)N(CCCC)CCCC 240690a_100000684618_200121576911 [0,1,0,0,0,0|1,1,0]=3 132 B12R0.250 C=CC(=O)N(CCCC)CCOC 1626a_100000207391_100000185746 [0,1,0,0,0,0|2,1,0]=4 133 B12R0.250 C=CC(=O)N(CCCC)CCOC 240690a_100000207391_200121576911 [0,1,0,0,0,0|2,1,0]=4 134 B12R0.250 C=CC(C)N(CCCC)CCCC 269982a_100000684618_100011215867 [0,1,0,0,0,0|2,0,1]=4 135 B12R0.250 CCCCC(CCCC)C(=O)CC 1458a_100000078208_100000210202 [0,1,0,0,0,0|2,1,0]=4 136 B12R0.250 CCCCC(CCCC)C(=O)CF 1458a_100000078208_100015361967 [0,1,0,0,0,0|2,1,0]=4 137 B12R0.250 CCCCC(CCCC)C(=O)NC 11a_106832991635_100000078208 [0,1,0,0,0,0|2,1,0]=4 138 B12R0.250 CCCCC(CCCC)C(=O)NC 1626a_100102657272_100000078208 [0,1,0,0,0,0|2,1,0]=4 139 B12R0.250 CCCCC(CCCC)C(=O)NC 240690a_100102657272_100000078208 [0,1,0,0,0,0|2,1,0]=4 140 B12R0.250 CCCCC(CCCC)C(=O)NC 527a_100102657272_100000078208 [0,1,0,0,0,0|2,1,0]=4 141 B12R0.250 CCCCN(CCCC)C(=O)CC 11a_100000684618_100000210414 [0,1,0,0,0,0|1,1,0]=3 142 B12R0.250 CCCCN(CCCC)C(=O)CC 1626a_100000684618_100000210414 [0,1,0,0,0,0|1,1,0]=3 143 B12R0.250 CCCCN(CCCC)C(=O)CC 240690a_100000684618_100000210414 [0,1,0,0,0,0|1,1,0]=3 144 B12R0.250 CCCCN(CCCC)C(=O)CC 527a_100000684618_100000210414 [0,1,0,0,0,0|1,1,0]=3 145 B12R0.250 CCCCN(CCCC)C(=O)CO 240690a_100000684618_100000210174 [0,1,0,0,0,0|0,2,0]=3 146 B12R0.250 CCCCN(CCCC)C(=O)CO 527a_100000684618_100000210174 [0,1,0,0,0,0|0,2,0]=3 147 B12R0.250 CCCCN(CCCC)C(=O)NC 2708a_100102657272_100000684618 [0,1,0,0,0,0|1,1,0]=3 148 B12R0.250 CCCCN(CCCC)C(=O)NC 273464a_100102657272_100000684618 [0,1,0,0,0,0|1,1,0]=3 149 B12R0.250 CCCCN(CCCC)C(C)C#N 2230a_100000684618_100000184139 [0,1,0,0,0,0|2,0,1]=4 150 B12R0.250 CCCCN(CCCC)C(C)C#N 269982a_100000684618_100000703298 [0,1,0,0,0,0|2,0,1]=4 151 B12R0.250 CCCCN(CCCC)C(C)CC 2230a_100000207357_100000210211 [0,1,0,0,0,0|2,0,1]=4 152 B12R0.250 CCCCN(CCCC)C(C)CC 2230a_100000684618_100000758301 [0,1,0,0,0,0|2,0,1]=4 153 B12R0.250 CCCCN(CCCC)C(C)CC 269982a_100000207357_100000210211 [0,1,0,0,0,0|2,0,1]=4 154 B12R0.250 CCCCN(CCCC)C(C)CC 269982a_100000684618_100000758301 [0,1,0,0,0,0|2,0,1]=4 155 B12R0.250 CCCCN(CCCC)C(C)CO 2230a_100000684618_100012180447 [0,1,0,0,0,0|1,1,1]=4 156 B12R0.250 CCCCN(CCCC)C(C)OC 269982a_100000684618_100009879195 [0,1,0,0,0,0|1,1,1]=4 157 B12R0.250 CCCCN(CCCC)[C@H](C)CO 269982a_100000684618_100016084084 [0,1,0,0,0,0|1,1,1]=4 158 B12R0.250 CCCCN(CCOC)C(=O)CC 11a_100000207391_100000210414 [0,1,0,0,0,0|2,1,0]=4 159 B12R0.250 CCCCN(CCOC)C(=O)CC 1626a_100000207391_100000210414 [0,1,0,0,0,0|2,1,0]=4 160 B12R0.250 CCCCN(CCOC)C(=O)CC 240690a_100000207391_100000210414 [0,1,0,0,0,0|2,1,0]=4 161 B12R0.250 CCCCN(CCOC)C(=O)CC 527a_100000207391_100000210414 [0,1,0,0,0,0|2,1,0]=4 162 B12R0.250 CCCCN(CCOC)C(=O)CO 240690a_100000207391_100000210174 [0,1,0,0,0,0|1,2,0]=4 163 B12R0.250 CCCCN(CCOC)C(=O)CO 527a_100000207391_100000210174 [0,1,0,0,0,0|1,2,0]=4 164 B12R0.250 CCCCN(CCOC)C(=O)NC 2708a_100102657272_100000207391 [0,1,0,0,0,0|2,1,0]=4 165 B12R0.250 CCCCN(CCOC)C(=O)NC 273464a_100102657272_100000207391 [0,1,0,0,0,0|2,1,0]=4 166 B12R0.337 CCCCN(C(C)C)C(C)CCC 2230a_100000207398_100000766640 [0,1,0,0,0,0|2,0,1]=4 167 B12R0.337 CCCCN(C(C)C)C(C)CCC 269982a_100000207398_100000766640 [0,1,0,0,0,0|2,0,1]=4 168 B12R0.337 CCCCN(C(C)C)C(C)CCC 270004a_100000207398_100000211909 [0,1,0,0,0,0|2,0,1]=4 169 B12R0.653 CCCCN(CCCC)C(C)(C)C 269982a_100000684618_100000210625 [0,1,0,0,0,0|2,0,1]=4 170 B12R0.653 CCCCN(CCCC)C(F)(F)F 269982a_100000684618_200000243211 [0,1,0,0,0,0|2,0,1]=4 171 B12R0.653 CCCCN(CCCC)S(=O)(=O)C 40a_100000684618_100000738038 [0,1,0,0,0,0|1,2,0]=4 172 B12R1.283 CC(=O)N1CCCCC1CCO 240690a_100000211664_100015343762 [0,0,0,1,0,0|2,1,0]=4 173 B12R1.283 CCCC1CCCCN1C(=O)C 11a_100000701414_100015343762 [0,0,0,1,0,0|1,1,0]=3 174 B12R1.283 CCCC1CCCCN1C(=O)C 1626a_100000701414_100015343762 [0,0,0,1,0,0|1,1,0]=3 175 B12R1.283 CCCC1CCCCN1C(=O)C 240690a_100000701414_100015343762 [0,0,0,1,0,0|1,1,0]=3 176 B12R1.283 CCCC1CCCCN1C(=O)C 527a_100000701414_100103153847 [0,0,0,1,0,0|1,1,0]=3 177 B12R1.283 CCCC1CCCCN1C(C)C 2230a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 178 B12R1.283 CCCC1CCCCN1C(C)C 269982a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 179 B12R1.283 CCCC1CCCCN1C(C)C 34a_100000701414_100000210206 [0,0,0,1,0,0|2,0,1]=4 180 B12R1.283 CCCC1COCCN1C(=O)C 11a_102495339903_100015343762 [0,0,0,1,0,0|2,1,0]=4 181 B12R1.283 CCCC1COCCN1C(=O)C 1626a_102495339903_100015343762 [0,0,0,1,0,0|2,1,0]=4 182 B12R1.283 CCCC1COCCN1C(=O)C 240690a_102495339903_100015343762 [0,0,0,1,0,0|2,1,0]=4 183 B12R1.283 CCCC1COCCN1C(=O)C 527a_102495339903_100103153847 [0,0,0,1,0,0|2,1,0]=4 184 B12R1.283 COCC1CCCCN1C(=O)C 11a_100015184032_100015343762 [0,0,0,1,0,0|2,1,0]=4 185 B12R1.283 COCC1CCCCN1C(=O)C 1626a_100015184032_100015343762 [0,0,0,1,0,0|2,1,0]=4 186 B12R1.283 COCC1CCCCN1C(=O)C 240690a_100015184032_100015343762 [0,0,0,1,0,0|2,1,0]=4 187 B12R1.283 COCC1CCCCN1C(=O)C 527a_100015184032_100103153847 [0,0,0,1,0,0|2,1,0]=4 188 B12R1.339 CCCCN1CCC(C1(C)C)C 2230a_102516457003_100000210211 [0,0,0,1,0,0|2,0,1]=4 189 B12R1.339 CCCCN1CCC(C1(C)C)C 269982a_102516457003_100000210211 [0,0,0,1,0,0|2,0,1]=4 190 B12R1.339 CCCCN1CCC(C1(C)C)C 34a_102516457003_100000210210 [0,0,0,1,0,0|2,0,1]=4 191 B12R1.935 CCCCN(CC1CC1)C(C)C 2230a_100000207398_100000742324 [0,0,0,1,0,0|2,0,1]=4 192 B12R1.935 CCCCN(CC1CC1)C(C)C 2230a_100000738798_100000210211 [0,0,0,1,0,0|2,0,1]=4 193 B12R1.935 CCCCN(CC1CC1)C(C)C 269982a_100000207398_100000756562 [0,0,0,1,0,0|2,0,1]=4 194 B12R1.935 CCCCN(CC1CC1)C(C)C 269982a_100000738798_100000210211 [0,0,0,1,0,0|2,0,1]=4 195 B12R1.935 CCCCN(CC1CC1)C(C)C 34a_100000738798_100000210210 [0,0,0,1,0,0|2,0,1]=4 196 B12R1.935 COCCN(CC1CC1)C(=O)C 11a_100011232889_100015343762 [0,0,0,1,0,0|2,1,0]=4 197 B12R1.935 COCCN(CC1CC1)C(=O)C 1626a_100011232889_100015343762 [0,0,0,1,0,0|2,1,0]=4 198 B12R1.935 COCCN(CC1CC1)C(=O)C 240690a_100011232889_100015343762 [0,0,0,1,0,0|2,1,0]=4 199 B12R1.935 COCCN(CC1CC1)C(=O)C 527a_100011232889_100103153847 [0,0,0,1,0,0|2,1,0]=4 200 B12R1.1335 CC(=O)N1CCCCCCCC1 11a_100000039187_100015343762 [0,0,0,1,0,0|1,1,0]=3 201 B12R1.1335 CC(=O)N1CCCCCCCC1 1626a_100000039187_100015343762 [0,0,0,1,0,0|1,1,0]=3 202 B12R1.1335 CC(=O)N1CCCCCCCC1 240690a_100000039187_100015343762 [0,0,0,1,0,0|1,1,0]=3 203 B12R1.1335 CC(=O)N1CCCCCCCC1 527a_100000039187_100103153847 [0,0,0,1,0,0|1,1,0]=3 204 B12R1.1335 CC(C)N1CCCCCCCC1 2230a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 205 B12R1.1335 CC(C)N1CCCCCCCC1 269982a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 206 B12R1.1335 CC(C)N1CCCCCCCC1 34a_100000039187_100000210206 [0,0,0,1,0,0|2,0,1]=4 207 B12R1.1762 CCCCN(C(C)C)C1CCC1 269982a_100000207398_100000749161 [0,0,0,1,0,0|2,0,1]=4 208 B12R1.1762 CCCCN(C(C)C)C1CCC1 270004a_100000207398_100000241760 [0,0,0,1,0,0|2,0,1]=4 209 B12R1.2802 CCCCN(CCCC)C1CC1 269982a_100000684618_100000211595 [0,0,0,1,0,0|2,0,1]=4 210 B12R0.243 C=C(C)CN(CCCC)CCCC 2230a_100000684618_100000748629 [0,0,0,0,0,1|2,0,0]=3 211 B12R0.243 C=C(C)CN(CCCC)CCCC 269982a_100000684618_100000748629 [0,0,0,0,0,1|2,0,0]=3 212 B12R0.243 C=C(C)CN(CCCC)CCOC 2230a_100000207391_100000748629 [0,0,0,0,0,1|3,0,0]=4 213 B12R0.243 C=C(C)CN(CCCC)CCOC 269982a_100000207391_100000748629 [0,0,0,0,0,1|3,0,0]=4 214 B12R0.243 C=C(F)CN(CCCC)CCCC 2230a_100000684618_100009893438 [0,0,0,0,0,1|2,0,0]=3 215 B12R0.243 C=C(F)CN(CCCC)CCCC 269982a_100000684618_100009893438 [0,0,0,0,0,1|2,0,0]=3 216 B12R0.243 C=C(F)CN(CCCC)CCOC 2230a_100000207391_100009893438 [0,0,0,0,0,1|3,0,0]=4 217 B12R0.243 C=C(F)CN(CCCC)CCOC 269982a_100000207391_100009893438 [0,0,0,0,0,1|3,0,0]=4 218 B12R0.243 CCCCC(CCCC)NC(=O)C 11a_200011995792_100015343762 [0,0,0,0,0,1|2,1,0]=4 219 B12R0.243 CCCCC(CCCC)NC(=O)C 1626a_200011995792_100015343762 [0,0,0,0,0,1|2,1,0]=4 220 B12R0.243 CCCCC(CCCC)NC(=O)C 240690a_200011995792_100015343762 [0,0,0,0,0,1|2,1,0]=4 221 B12R0.243 CCCCC(CCCC)NC(=O)C 527a_200011995792_100103153847 [0,0,0,0,0,1|2,1,0]=4 222 B12R0.243 CCCCN(CCCC)CC(=O)N 2230a_100000684618_100000747473 [0,0,0,0,0,1|1,1,0]=3 223 B12R0.243 CCCCN(CCCC)CC(=O)N 269982a_100000684618_100000187820 [0,0,0,0,0,1|1,1,0]=3 224 B12R0.243 CCCCN(CCCC)CC(=O)[O-] 269982a_100000684618_100020667443 [0,0,0,0,0,1|0,2,0]=3 225 B12R0.243 CCCCN(CCCC)CC(C)C 2230a_100000684618_100000210760 [0,0,0,0,0,1|2,0,1]=4 226 B12R0.243 CCCCN(CCCC)CC(C)C 269982a_100000684618_100000210624 [0,0,0,0,0,1|2,0,1]=4 227 B12R0.243 CCCCN(CCCC)CC(C)C 270004a_100000684618_100000210432 [0,0,0,0,0,1|2,0,1]=4 228 B12R0.243 CCCCN(CCCC)CC(C)O 2230a_100000684618_100011218427 [0,0,0,0,0,1|1,1,1]=4 229 B12R0.243 CCCCN(CCCC)CC(C)O 269982a_100000684618_100011218427 [0,0,0,0,0,1|1,1,1]=4 230 B12R0.243 CCCCN(CCCC)CC(F)F 2230a_100000684618_100011934356 [0,0,0,0,0,1|2,0,1]=4 231 B12R0.243 CCCCN(CCCC)CC(F)F 269982a_100000684618_100011934356 [0,0,0,0,0,1|2,0,1]=4 232 B12R0.243 CCCCN(CCCC)C[C@@H](C)O 2230a_100000684618_100009817552 [0,0,0,0,0,1|1,1,1]=4 233 B12R0.243 CCCCN(CCCC)C[C@@H](C)O 269982a_100000684618_100009817552 [0,0,0,0,0,1|1,1,1]=4 234 B12R0.243 CCCCN(CCCC)C[N+](=O)[O-] 269982a_100000684618_100000761209 [0,0,0,0,0,1|1,2,0]=4 235 B12R0.243 CCCCN(CCOC)CC(=O)N 2230a_100000207391_100000747473 [0,0,0,0,0,1|2,1,0]=4 236 B12R0.243 CCCCN(CCOC)CC(=O)N 269982a_100000207391_100000187820 [0,0,0,0,0,1|2,1,0]=4 237 B12R0.243 CCCCN(CCOC)CC(=O)[O-] 269982a_100000207391_100020667443 [0,0,0,0,0,1|1,2,0]=4 238 B9R0.18 CCCCC(=O)CCCC 1458a_100000210183_100000210211 [2,0,0,0,0,0|1,1,0]=4 239 B9R0.18 CCCCN(C)CCCC 2230a_100000207549_100000210211 [2,0,0,0,0,0|0,0,1]=3 240 B9R0.18 CCCCN(C)CCCC 2230a_100000684618_200000210301 [2,0,0,0,0,0|0,0,1]=3 241 B9R0.18 CCCCN(C)CCCC 269982a_100000207549_100000210211 [2,0,0,0,0,0|0,0,1]=3 242 B9R0.18 CCCCN(C)CCCC 269982a_100000684618_200000210301 [2,0,0,0,0,0|0,0,1]=3 243 B9R0.18 CCCCN(C)CCCF 2230a_100000207549_100011934791 [2,0,0,0,0,0|1,0,1]=4 244 B9R0.18 CCCCN(C)CCCF 269982a_100000207549_100011934791 [2,0,0,0,0,0|1,0,1]=4 245 B9R0.18 CCCCN(C)CCCO 2230a_100000207549_100000230001 [2,0,0,0,0,0|1,0,1]=4 246 B9R0.18 CCCCN(C)CCCO 2230a_100000213112_100000210211 [2,0,0,0,0,0|1,0,1]=4 247 B9R0.18 CCCCN(C)CCCO 269982a_100000207549_100011215043 [2,0,0,0,0,0|1,0,1]=4 248 B9R0.18 CCCCN(C)CCCO 269982a_100000213112_100000210211 [2,0,0,0,0,0|1,0,1]=4 249 B9R0.18 CCCCN(C)CCOC 2230a_100000207391_200000210301 [2,0,0,0,0,0|1,0,1]=4 250 B9R0.18 CCCCN(C)CCOC 2230a_100000207549_100011201679 [2,0,0,0,0,0|1,0,1]=4 251 B9R0.18 CCCCN(C)CCOC 2230a_100000743101_100000210211 [2,0,0,0,0,0|1,0,1]=4 252 B9R0.18 CCCCN(C)CCOC 269982a_100000207391_200000210301 [2,0,0,0,0,0|1,0,1]=4 253 B9R0.18 CCCCN(C)CCOC 269982a_100000207549_100000233755 [2,0,0,0,0,0|1,0,1]=4 254 B9R0.18 CCCCN(C)CCOC 269982a_100000743101_100000210211 [2,0,0,0,0,0|1,0,1]=4 255 B9R0.18 CCCCN(C)CCSC 2230a_100000207549_100000751147 [2,0,0,0,0,0|1,0,1]=4 256 B9R0.18 CCCCN(C)CCSC 2230a_100000686725_100000210211 [2,0,0,0,0,0|1,0,1]=4 257 B9R0.18 CCCCN(C)CCSC 269982a_100000207549_100000212216 [2,0,0,0,0,0|1,0,1]=4 258 B9R0.18 CCCCN(C)CCSC 269982a_100000686725_100000210211 [2,0,0,0,0,0|1,0,1]=4 259 B9R0.18 CCCCN(C)COCC 269982a_100000207549_100000739092 [2,0,0,0,0,0|1,0,1]=4 260 B9R0.18 CCCCN([13CH3])CCCC 2230a_100000684618_200025704644 [2,0,0,0,0,0|0,0,1]=3 261 B9R0.18 CCCCN([13CH3])CCCC 269982a_100000684618_200025704644 [2,0,0,0,0,0|0,0,1]=3 262 B9R0.18 CCCCN([13CH3])CCOC 2230a_100000207391_200025704644 [2,0,0,0,0,0|1,0,1]=4 263 B9R0.18 CCCCN([13CH3])CCOC 269982a_100000207391_200025704644 [2,0,0,0,0,0|1,0,1]=4 264 B9R0.40 CCCCN(CC)CCC 2230a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 265 B9R0.40 CCCCN(CC)CCC 2230a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 266 B9R0.40 CCCCN(CC)CCC 2230a_200000207744_100000210202 [2,0,0,0,0,0|1,0,1]=4 267 B9R0.40 CCCCN(CC)CCC 269982a_100000207695_100000210303 [2,0,0,0,0,0|1,0,1]=4 268 B9R0.40 CCCCN(CC)CCC 269982a_100000226822_100000210211 [2,0,0,0,0,0|1,0,1]=4 269 B9R0.40 CCCCN(CC)CCC 269982a_200000207744_100000204670 [2,0,0,0,0,0|1,0,1]=4 270 B9R0.40 CCCCN(CF)CCC 269982a_200000207744_100015361967 [2,0,0,0,0,0|1,0,1]=4 271 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [2,0,0,0,0,0|1,1,0]=4 272 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [2,0,0,0,0,0|1,1,0]=4 273 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [2,0,0,0,0,0|1,1,0]=4 274 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [2,0,0,0,0,0|1,1,0]=4 275 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [2,0,0,0,0,0|1,1,0]=4 276 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [2,0,0,0,0,0|1,1,0]=4 277 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [2,0,0,0,0,0|1,1,0]=4 278 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [2,0,0,0,0,0|1,1,0]=4 279 B11R0.152 C=CC(CCCC)OCCCC 34a_200011215037_100000210210 [1,1,0,0,0,0|2,0,0]=4 280 B11R0.152 C=CC(CCCC)OCCCC 7a_200011215037_100000210211 [1,1,0,0,0,0|2,0,0]=4 281 B11R0.152 CCCCCN(CC)CCCC 2230a_100000207695_100000210326 [1,1,0,0,0,0|1,0,1]=4 282 B11R0.152 CCCCCN(CC)CCCC 269982a_100000207695_100000210215 [1,1,0,0,0,0|1,0,1]=4 283 B11R0.152 CCCCN(CC)CCCCF 2230a_100000207695_100000729493 [1,1,0,0,0,0|1,0,1]=4 284 B11R0.152 CCCCN(CC)CCCCF 269982a_100000207695_100000729493 [1,1,0,0,0,0|1,0,1]=4 285 B11R0.152 CCCCN(CC)CCCCO 2230a_100000207695_100000210776 [1,1,0,0,0,0|1,0,1]=4 286 B11R0.152 CCCCN(CC)CCCCO 2230a_100011217355_100000210211 [1,1,0,0,0,0|1,0,1]=4 287 B11R0.152 CCCCN(CC)CCCCO 2230a_200011216965_100000210202 [1,1,0,0,0,0|1,0,1]=4 288 B11R0.152 CCCCN(CC)CCCCO 269982a_100000207695_100000210776 [1,1,0,0,0,0|1,0,1]=4 289 B11R0.152 CCCCN(CC)CCCCO 269982a_100011217355_100000210211 [1,1,0,0,0,0|1,0,1]=4 290 B11R0.152 CCCCN(CC)CCCCO 269982a_200011216965_100000204670 [1,1,0,0,0,0|1,0,1]=4 291 B11R0.152 CCCCN(CC)CCCOC 2230a_100000207695_100000740836 [1,1,0,0,0,0|1,0,1]=4 292 B11R0.152 CCCCN(CC)CCCOC 269982a_100000207695_100000740836 [1,1,0,0,0,0|1,0,1]=4 293 B11R0.152 CCCCN(CC)CCNCC 2230a_200011208488_100000210202 [1,1,0,0,0,0|1,0,1]=4 294 B11R0.152 CCCCN(CC)CCOCC 2230a_100000207695_100011215890 [1,1,0,0,0,0|1,0,1]=4 295 B11R0.152 CCCCN(CC)CCOCC 269982a_100000207695_100011215890 [1,1,0,0,0,0|1,0,1]=4 296 B11R0.152 CCCCN(CC)CCSCC 2230a_100000207695_100000757381 [1,1,0,0,0,0|1,0,1]=4 297 B11R0.152 CCCCN(CC)CCSCC 269982a_100000207695_100000757381 [1,1,0,0,0,0|1,0,1]=4 298 B11R0.152 CCCCN(CF)CCCCO 269982a_200011216965_100015361967 [1,1,0,0,0,0|1,0,1]=4 299 B11R0.158 C#CCN(CCCC)CCCC 2230a_100000684618_100000038162 [1,1,0,0,0,0|1,0,1]=4 300 B11R0.158 C=CCN(CCCC)CCCC 2230a_100000684618_100000210623 [1,1,0,0,0,0|1,0,0]=3 301 B11R0.158 C=CCN(CCCC)CCCC 269982a_100000684618_100000210623 [1,1,0,0,0,0|1,0,0]=3 302 B11R0.158 C=CCN(CCCC)CCOC 2230a_100000207391_100000210623 [1,1,0,0,0,0|2,0,0]=4 303 B11R0.158 C=CCN(CCCC)CCOC 269982a_100000207391_100000210623 [1,1,0,0,0,0|2,0,0]=4 304 B11R0.158 CCCCN(CC#N)CCCC 2230a_100000684618_100011215382 [1,1,0,0,0,0|1,0,1]=4 305 B11R0.158 CCCCN(CC#N)CCCC 2230a_200011192266_100000210211 [1,1,0,0,0,0|1,0,1]=4 306 B11R0.158 CCCCN(CC#N)CCCC 269982a_100000684618_100011214920 [1,1,0,0,0,0|1,0,1]=4 307 B11R0.158 CCCCN(CC=O)CCCC 2230a_100000684618_200015260668 [1,1,0,0,0,0|0,1,0]=3 308 B11R0.158 CCCCN(CC=O)CCCC 269982a_100000684618_200015260668 [1,1,0,0,0,0|0,1,0]=3 309 B11R0.158 CCCCN(CC=O)CCOC 2230a_100000207391_200015260668 [1,1,0,0,0,0|1,1,0]=4 310 B11R0.158 CCCCN(CC=O)CCOC 269982a_100000207391_200015260668 [1,1,0,0,0,0|1,1,0]=4 311 B11R0.158 CCCCN(CCC)CCCC 2230a_100000684618_100000210303 [1,1,0,0,0,0|1,0,1]=4 312 B11R0.158 CCCCN(CCC)CCCC 2230a_200000207744_100000210211 [1,1,0,0,0,0|1,0,1]=4 313 B11R0.158 CCCCN(CCC)CCCC 269982a_100000684618_100000210303 [1,1,0,0,0,0|1,0,1]=4 314 B11R0.158 CCCCN(CCC)CCCC 269982a_200000207744_100000210211 [1,1,0,0,0,0|1,0,1]=4 315 B11R0.158 CCCCN(CCCC)COC 2230a_100000684618_100000766300 [1,1,0,0,0,0|0,1,1]=4 316 B11R0.158 CCCCN(CCCC)COC 269982a_100000684618_100000766300 [1,1,0,0,0,0|0,1,1]=4 317 B11R0.158 CCCCN(CCCC)CSC 2230a_100000684618_100011218213 [1,1,0,0,0,0|0,0,1]=3 318 B11R0.158 CCCCN(CCCC)CSC 269982a_100000684618_100011218213 [1,1,0,0,0,0|0,0,1]=3 319 B11R0.158 CCCCN(CCF)CCCC 2230a_100000684618_100011217306 [1,1,0,0,0,0|1,0,1]=4 320 B11R0.158 CCCCN(CCF)CCCC 269982a_100000684618_100011217306 [1,1,0,0,0,0|1,0,1]=4 321 B11R0.158 CCCCN(CCO)CCCC 2230a_100000198060_100000210211 [1,1,0,0,0,0|0,1,1]=4 322 B11R0.158 CCCCN(CCO)CCCC 2230a_100000684618_100000211926 [1,1,0,0,0,0|0,1,1]=4 323 B11R0.158 CCCCN(CCO)CCCC 269982a_100000198060_100000210211 [1,1,0,0,0,0|0,1,1]=4 324 B11R0.158 CCCCN(CCO)CCCC 269982a_100000684618_100000211926 [1,1,0,0,0,0|0,1,1]=4 325 B11R0.158 CCCCN(CCOC)CSC 2230a_100000207391_100011218213 [1,1,0,0,0,0|1,0,1]=4 326 B11R0.158 CCCCN(CCOC)CSC 269982a_100000207391_100011218213 [1,1,0,0,0,0|1,0,1]=4 327 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207693_100000210211 [1,1,0,0,0,0|1,0,1]=4 328 B11R0.164 CCCCN(CC)CCC(C)C 2230a_100000207695_100000210312 [1,1,0,0,0,0|1,0,1]=4 329 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207693_100000210211 [1,1,0,0,0,0|1,0,1]=4 330 B11R0.164 CCCCN(CC)CCC(C)C 269982a_100000207695_100000210312 [1,1,0,0,0,0|1,0,1]=4 331 B11R0.164 CCCCN(CC)CCC(C)O 2230a_100000207695_100012276601 [1,1,0,0,0,0|1,0,1]=4 332 B11R0.164 CCCCN(CC)CCC(C)O 269982a_100000207695_100012276601 [1,1,0,0,0,0|1,0,1]=4 333 B11R0.166 CCCCN(CC)CC(C)CC 2230a_100000207695_100000748023 [1,1,0,0,0,0|1,0,1]=4 334 B11R0.166 CCCCN(CC)CC(C)CC 269982a_100000207695_100000748023 [1,1,0,0,0,0|1,0,1]=4 335 B11R0.166 CCCCN(CC)CC(C)CC 270004a_100000207695_100000243153 [1,1,0,0,0,0|1,0,1]=4 336 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100000207695_100011218378 [1,1,0,0,0,0|1,0,1]=4 337 B11R0.166 CCCCN(CC)CC(O)CC 2230a_100011365200_100000210211 [1,1,0,0,0,0|1,0,1]=4 338 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100000207695_100011218378 [1,1,0,0,0,0|1,0,1]=4 339 B11R0.166 CCCCN(CC)CC(O)CC 269982a_100011365200_100000210211 [1,1,0,0,0,0|1,0,1]=4 340 B11R0.166 CCCCN(CC)C[C@@H](C)CC 2230a_100000207695_100009816398 [1,1,0,0,0,0|1,0,1]=4 341 B11R0.166 CCCCN(CC)C[C@@H](C)CC 269982a_100000207695_100009816398 [1,1,0,0,0,0|1,0,1]=4 342 B11R0.191 CCCCN(CC)C(C)CCC 2230a_100000207695_100000766640 [1,1,0,0,0,0|1,0,1]=4 343 B11R0.191 CCCCN(CC)C(C)CCC 269982a_100000207695_100000766640 [1,1,0,0,0,0|1,0,1]=4 344 B11R0.191 CCCCN(CC)C(C)CCC 270004a_100000207695_100000211909 [1,1,0,0,0,0|1,0,1]=4 345 B11R0.38 C=CC(=O)N(CCC)CCCC 1626a_200000207744_100000185746 [1,1,0,0,0,0|1,1,0]=4 346 B11R0.38 C=CC(=O)N(CCC)CCCC 240690a_200000207744_200121576911 [1,1,0,0,0,0|1,1,0]=4 347 B11R0.38 CCCCN(CCC)C(=O)CC 11a_200000207744_100000210414 [1,1,0,0,0,0|1,1,0]=4 348 B11R0.38 CCCCN(CCC)C(=O)CC 1626a_200000207744_100000210414 [1,1,0,0,0,0|1,1,0]=4 349 B11R0.38 CCCCN(CCC)C(=O)CC 240690a_200000207744_100000210414 [1,1,0,0,0,0|1,1,0]=4 350 B11R0.38 CCCCN(CCC)C(=O)CC 527a_200000207744_100000210414 [1,1,0,0,0,0|1,1,0]=4 351 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [1,1,0,0,0,0|0,2,0]=4 352 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [1,1,0,0,0,0|0,2,0]=4 353 B11R0.38 CCCCN(CCC)C(=O)NC 2708a_100102657272_200000207744 [1,1,0,0,0,0|1,1,0]=4 354 B11R0.38 CCCCN(CCC)C(=O)NC 273464a_100102657272_200000207744 [1,1,0,0,0,0|1,1,0]=4 355 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [1,1,0,0,0,0|1,1,0]=4 356 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [1,1,0,0,0,0|1,1,0]=4 357 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [1,1,0,0,0,0|1,1,0]=4 358 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [1,1,0,0,0,0|1,1,0]=4 359 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [1,1,0,0,0,0|1,1,0]=4 360 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [1,1,0,0,0,0|1,1,0]=4 361 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [1,1,0,0,0,0|1,1,0]=4 362 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [1,1,0,0,0,0|1,1,0]=4 363 B13R0.142 C=C(C)CN(CCCC)CCCCO 2230a_200011216965_100000748629 [0,1,0,0,0,1|2,0,0]=4 364 B13R0.142 C=C(C)CN(CCCC)CCCCO 269982a_200011216965_100000748629 [0,1,0,0,0,1|2,0,0]=4 365 B13R0.142 C=C(F)CN(CCCC)CCCCO 2230a_200011216965_100009893438 [0,1,0,0,0,1|2,0,0]=4 366 B13R0.142 C=C(F)CN(CCCC)CCCCO 269982a_200011216965_100009893438 [0,1,0,0,0,1|2,0,0]=4 367 B13R0.142 CCCCN(CCCCO)CC(=O)N 2230a_200011216965_100000747473 [0,1,0,0,0,1|1,1,0]=4 368 B13R0.142 CCCCN(CCCCO)CC(=O)N 269982a_200011216965_100000187820 [0,1,0,0,0,1|1,1,0]=4 369 B13R0.142 CCCCN(CCCCO)CC(=O)[O-] 269982a_200011216965_100020667443 [0,1,0,0,0,1|0,2,0]=4 370 B13R0.1316 C=C(C#N)CN(CCCC)CCCC 2230a_100000684618_100000694840 [0,1,0,0,0,1|2,0,0]=4 371 B13R0.1316 C=C(C#N)CN(CCCC)CCCC 269982a_100000684618_100000694840 [0,1,0,0,0,1|2,0,0]=4 372 B13R0.1316 CCCCN(CCCC)CC(=O)CC 269982a_100000684618_100000747405 [0,1,0,0,0,1|1,1,0]=4 373 B13R0.1316 CCCCN(CCCC)CC(=O)NC 2230a_100000684618_100000183359 [0,1,0,0,0,1|1,1,0]=4 374 B13R0.1316 CCCCN(CCCC)CC(=O)NC 269982a_100000684618_100000183359 [0,1,0,0,0,1|1,1,0]=4 375 B13R0.1316 CCCCN(CCCC)CC(=O)OC 2230a_100000684618_100000747449 [0,1,0,0,0,1|0,2,0]=4 376 B13R0.1316 CCCCN(CCCC)CC(=O)OC 269982a_100000684618_100000747449 [0,1,0,0,0,1|0,2,0]=4 377 B13R0.1319 C=C(Br)C(=O)N(CCCC)CCCC 11a_100000684618_100009813364 [0,1,0,0,0,1|2,0,0]=4 378 B13R0.1319 C=C(Br)C(=O)N(CCCC)CCCC 1626a_100000684618_100009813364 [0,1,0,0,0,1|2,0,0]=4 379 B13R0.1319 C=C(C)C(=O)N(CCCC)CCCC 11a_100000684618_100000185857 [0,1,0,0,0,1|2,0,0]=4 380 B13R0.1319 C=C(C)C(=O)N(CCCC)CCCC 1626a_100000684618_100000185857 [0,1,0,0,0,1|2,0,0]=4 381 B13R0.1319 C=C(Cl)C(=O)N(CCCC)CCCC 11a_100000684618_100000039160 [0,1,0,0,0,1|2,0,0]=4 382 B13R0.1319 C=C(Cl)C(=O)N(CCCC)CCCC 1626a_100000684618_100000039160 [0,1,0,0,0,1|2,0,0]=4 383 B13R0.1319 C=C(F)C(=O)N(CCCC)CCCC 11a_100000684618_100000036797 [0,1,0,0,0,1|2,0,0]=4 384 B13R0.1319 C=C(F)C(=O)N(CCCC)CCCC 1626a_100000684618_100000036797 [0,1,0,0,0,1|2,0,0]=4 385 B13R0.1319 CCCCN(CCCC)C(=O)C(=O)N 240690a_100000684618_100011215815 [0,1,0,0,0,1|1,1,0]=4 386 B13R0.1319 CCCCN(CCCC)C(C)C(=O)C 2230a_100000684618_100009814033 [0,1,0,0,0,1|1,1,0]=4 387 B13R0.1319 CCCCN(CCCC)C(C)C(=O)C 269982a_100000684618_100009814033 [0,1,0,0,0,1|1,1,0]=4 388 B13R0.1319 CCCCN(CCCC)C(C)C(=O)N 2230a_100000684618_100000702099 [0,1,0,0,0,1|1,1,0]=4 389 B13R0.1319 CCCCN(CCCC)C(C)C(=O)N 269982a_100000684618_100000184083 [0,1,0,0,0,1|1,1,0]=4 390 B13R0.1319 CCCCN(CCCC)C(F)C(=O)N 2230a_100000684618_100009813875 [0,1,0,0,0,1|1,1,0]=4 391 B13R0.1319 CCCCN(CCCC)C(F)C(=O)N 269982a_100000684618_100009813875 [0,1,0,0,0,1|1,1,0]=4 392 B13R0.53 CC(=O)N(CCC(C)C)CCC(C)C 11a_100000207472_100015343762 [0,2,0,0,0,0|1,1,0]=4 393 B13R0.53 CC(=O)N(CCC(C)C)CCC(C)C 1626a_100000207472_100015343762 [0,2,0,0,0,0|1,1,0]=4 394 B13R0.53 CC(=O)N(CCC(C)C)CCC(C)C 240690a_100000207472_100015343762 [0,2,0,0,0,0|1,1,0]=4 395 B13R0.53 CC(=O)N(CCC(C)C)CCC(C)C 527a_100000207472_100103153847 [0,2,0,0,0,0|1,1,0]=4 396 B13R0.143 CCCCCCN(CCCC)C(=O)C 11a_200000207677_100015343762 [0,2,0,0,0,0|1,1,0]=4 397 B13R0.143 CCCCCCN(CCCC)C(=O)C 1626a_200000207677_100015343762 [0,2,0,0,0,0|1,1,0]=4 398 B13R0.143 CCCCCCN(CCCC)C(=O)C 240690a_200000207677_100015343762 [0,2,0,0,0,0|1,1,0]=4 399 B13R0.143 CCCCCCN(CCCC)C(=O)C 527a_200000207677_100103153847 [0,2,0,0,0,0|1,1,0]=4 400 B13R0.149 C=CC(=O)N(CCCC)CCCCO 240690a_200011216965_200121576911 [0,2,0,0,0,0|1,1,0]=4 401 B13R0.149 CCCCN(CCCCO)C(=O)CC 240690a_200011216965_100000210414 [0,2,0,0,0,0|1,1,0]=4 402 B13R0.149 CCCCN(CCCCO)C(=O)CO 240690a_200011216965_100000210174 [0,2,0,0,0,0|0,2,0]=4 403 B13R0.149 CCCCN(CCCCO)C(=O)NC 2708a_100102657272_200011216965 [0,2,0,0,0,0|1,1,0]=4 404 B13R0.149 CCCCN(CCCCO)C(=O)NC 273464a_100102657272_200011216965 [0,2,0,0,0,0|1,1,0]=4 405 B13R0.800 CC(=O)N(CCCCO)CCCCO 240690a_100012279056_100015343762 [0,2,0,0,0,0|1,1,0]=4 406 B13R0.800 CCCCCN(CCCCC)C(=O)C 11a_100000210580_100015343762 [0,2,0,0,0,0|1,1,0]=4 407 B13R0.800 CCCCCN(CCCCC)C(=O)C 1626a_100000210580_100015343762 [0,2,0,0,0,0|1,1,0]=4 408 B13R0.800 CCCCCN(CCCCC)C(=O)C 240690a_100000210580_100015343762 [0,2,0,0,0,0|1,1,0]=4 409 B13R0.800 CCCCCN(CCCCC)C(=O)C 527a_100000210580_100103153847 [0,2,0,0,0,0|1,1,0]=4 410 B13R0.800 CCOCCN(CCOCC)C(=O)C 11a_100011216575_100015343762 [0,2,0,0,0,0|1,1,0]=4 411 B13R0.800 CCOCCN(CCOCC)C(=O)C 1626a_100011216575_100015343762 [0,2,0,0,0,0|1,1,0]=4 412 B13R0.800 CCOCCN(CCOCC)C(=O)C 240690a_100011216575_100015343762 [0,2,0,0,0,0|1,1,0]=4 413 B13R0.800 CCOCCN(CCOCC)C(=O)C 527a_100011216575_100103153847 [0,2,0,0,0,0|1,1,0]=4 414 B13R0.1317 C#CCC(=O)N(CCCC)CCCC 1626a_100000684618_100011220946 [0,2,0,0,0,0|1,1,0]=4 415 B13R0.1317 C#CCC(=O)N(CCCC)CCCC 527a_100000684618_100011220946 [0,2,0,0,0,0|1,1,0]=4 416 B13R0.1317 C=CCC(=O)N(CCCC)CCCC 11a_100000684618_100000210193 [0,2,0,0,0,0|1,1,0]=4 417 B13R0.1317 C=CCC(=O)N(CCCC)CCCC 1626a_100000684618_100000210193 [0,2,0,0,0,0|1,1,0]=4 418 B13R0.1317 C=CCC(=O)N(CCCC)CCCC 240690a_100000684618_100000210193 [0,2,0,0,0,0|1,1,0]=4 419 B13R0.1317 C=CCC(=O)N(CCCC)CCCC 527a_100000684618_100000210193 [0,2,0,0,0,0|1,1,0]=4 420 B13R0.1317 CC=CC(=O)N(CCCC)CCCC 11a_100000684618_100000210699 [0,2,0,0,0,0|1,1,0]=4 421 B13R0.1317 CC=CC(=O)N(CCCC)CCCC 1626a_100000684618_100000210699 [0,2,0,0,0,0|1,1,0]=4 422 B13R0.1317 CC=CC(=O)N(CCCC)CCCC 240690a_100000684618_100000210699 [0,2,0,0,0,0|1,1,0]=4 423 B13R0.1317 CCCCN(CCCC)C(=O)C=CBr 1626a_100000684618_100016273825 [0,2,0,0,0,0|1,1,0]=4 424 B13R0.1317 CCCCN(CCCC)C(=O)C=CBr 240690a_100000684618_100016273825 [0,2,0,0,0,0|1,1,0]=4 425 B13R0.1317 CCCCN(CCCC)C(=O)C=CCl 11a_100000684618_200016279998 [0,2,0,0,0,0|1,1,0]=4 426 B13R0.1317 CCCCN(CCCC)C(=O)C=CCl 1626a_100000684618_200016279998 [0,2,0,0,0,0|1,1,0]=4 427 B13R0.1317 CCCCN(CCCC)C(=O)C=CCl 240690a_100000684618_200016279998 [0,2,0,0,0,0|1,1,0]=4 428 B13R0.1317 CCCCN(CCCC)C(=O)C=CI 1626a_100000684618_100016256311 [0,2,0,0,0,0|1,1,0]=4 429 B13R0.1317 CCCCN(CCCC)C(=O)CC#N 1626a_100000684618_100051588842 [0,2,0,0,0,0|1,1,0]=4 430 B13R0.1317 CCCCN(CCCC)C(=O)CC#N 240690a_100000684618_100051588842 [0,2,0,0,0,0|1,1,0]=4 431 B13R0.1317 CCCCN(CCCC)C(=O)CCC 11a_100000684618_100000211992 [0,2,0,0,0,0|1,1,0]=4 432 B13R0.1317 CCCCN(CCCC)C(=O)CCC 1626a_100000684618_100000211992 [0,2,0,0,0,0|1,1,0]=4 433 B13R0.1317 CCCCN(CCCC)C(=O)CCC 240690a_100000684618_100000211992 [0,2,0,0,0,0|1,1,0]=4 434 B13R0.1317 CCCCN(CCCC)C(=O)CCC 527a_100000684618_100000211992 [0,2,0,0,0,0|1,1,0]=4 435 B13R0.1317 CCCCN(CCCC)C(=O)CCO 240690a_100000684618_100011216618 [0,2,0,0,0,0|0,2,0]=4 436 B13R0.1317 CCCCN(CCCC)C(=O)CNC 2230a_106832991635_100000230177 [0,2,0,0,0,0|1,1,0]=4 437 B13R0.1317 CCCCN(CCCC)C(=O)CNC 34a_100102657272_100000230177 [0,2,0,0,0,0|1,1,0]=4 438 B13R0.1317 CCCCN(CCCC)C(=O)CNC 7a_106832991635_100000230177 [0,2,0,0,0,0|1,1,0]=4 439 B13R0.1317 CCCCN(CCCC)C(=O)COC 11a_100000684618_100000210968 [0,2,0,0,0,0|0,2,0]=4 440 B13R0.1317 CCCCN(CCCC)C(=O)COC 1626a_100000684618_100000210968 [0,2,0,0,0,0|0,2,0]=4 441 B13R0.1317 CCCCN(CCCC)C(=O)COC 240690a_100000684618_100000210968 [0,2,0,0,0,0|0,2,0]=4 442 B13R0.1317 CCCCN(CCCC)C(=O)COC 34a_100138415774_100000230177 [0,2,0,0,0,0|0,2,0]=4 443 B13R0.1317 CCCCN(CCCC)C(=O)COC 527a_100000684618_100000210968 [0,2,0,0,0,0|0,2,0]=4 444 B13R0.1317 CCCCN(CCCC)C(=O)CSC 11a_100000684618_100000184570 [0,2,0,0,0,0|0,1,0]=3 445 B13R0.1317 CCCCN(CCCC)C(=O)CSC 1626a_100000684618_100000184570 [0,2,0,0,0,0|0,1,0]=3 446 B13R0.1317 CCCCN(CCCC)C(=O)CSC 240690a_100000684618_100000184570 [0,2,0,0,0,0|0,1,0]=3 447 B13R0.1317 CCCCN(CCCC)C(=O)CSC 527a_100000684618_100000184570 [0,2,0,0,0,0|0,1,0]=3 448 B13R0.1317 CCCCN(CCCC)C(=O)CSC 62a_100011894640_200000210301 [0,2,0,0,0,0|0,1,0]=3 449 B13R0.1317 CCCCN(CCCC)C(=O)CSC 62a_200000210301_100000230177 [0,2,0,0,0,0|0,1,0]=3 450 B13R0.1317 CCCCN(CCCC)C(=O)CS[13CH3] 62a_100011894640_200025704644 [0,2,0,0,0,0|0,1,0]=3 451 B13R0.1317 CCCCN(CCCC)C(=O)CS[13CH3] 62a_200025704644_100000230177 [0,2,0,0,0,0|0,1,0]=3 452 B13R0.1317 CCCCN(CCCC)C(=O)NCC 2708a_100015525214_100000684618 [0,2,0,0,0,0|1,1,0]=4 453 B13R0.1317 CCCCN(CCCC)C(=O)NCC 273464a_100015525214_100000684618 [0,2,0,0,0,0|1,1,0]=4 454 B13R0.1317 CCCCN(CCCC)C(C)CSC 270004a_100000684618_100011216314 [0,2,0,0,0,0|1,0,1]=4 455 B13R0.1317 CCCCN(CCOC)C(=O)CSC 11a_100000207391_100000184570 [0,2,0,0,0,0|1,1,0]=4 456 B13R0.1317 CCCCN(CCOC)C(=O)CSC 1626a_100000207391_100000184570 [0,2,0,0,0,0|1,1,0]=4 457 B13R0.1317 CCCCN(CCOC)C(=O)CSC 240690a_100000207391_100000184570 [0,2,0,0,0,0|1,1,0]=4 458 B13R0.1317 CCCCN(CCOC)C(=O)CSC 527a_100000207391_100000184570 [0,2,0,0,0,0|1,1,0]=4 459 B11R1.1 CCCCN1CCC(CC1)C 2230a_100000188429_100000210211 [1,0,0,1,0,0|1,0,1]=4 460 B11R1.1 CCCCN1CCC(CC1)C 269982a_100000188429_100000210211 [1,0,0,1,0,0|1,0,1]=4 461 B11R1.1 CCCCN1CCC(CC1)C 34a_100000188429_100000210210 [1,0,0,1,0,0|1,0,1]=4 462 B11R1.17 CCCCN1CCCCC1C 2230a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 463 B11R1.17 CCCCN1CCCCC1C 269982a_100000211376_100000210211 [1,0,0,1,0,0|1,0,1]=4 464 B11R1.17 CCCCN1CCCCC1C 34a_100000211376_100000210210 [1,0,0,1,0,0|1,0,1]=4 465 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [1,0,0,1,0,0|1,1,0]=4 466 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [1,0,0,1,0,0|1,1,0]=4 467 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [1,0,0,1,0,0|1,1,0]=4 468 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [1,0,0,1,0,0|1,1,0]=4 469 B11R1.41 CCCC1CCCCN1CC 2230a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 470 B11R1.41 CCCC1CCCCN1CC 269982a_100000701414_100000204670 [1,0,0,1,0,0|1,0,1]=4 471 B11R1.41 CCCC1CCCCN1CC 34a_100000701414_100000210202 [1,0,0,1,0,0|1,0,1]=4 472 B11R1.41 CCCC1CCCCN1CF 269982a_100000701414_100015361967 [1,0,0,1,0,0|1,0,1]=4 473 B11R1.41 CCCC1CCCCN1CF 34a_100000701414_100015361967 [1,0,0,1,0,0|1,0,1]=4 474 B11R1.203 CCCCN1CCCCCC1 2230a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 475 B11R1.203 CCCCN1CCCCCC1 269982a_100000185865_100000210211 [1,0,0,1,0,0|1,0,1]=4 476 B11R1.203 CCCCN1CCCCCC1 34a_100000185865_100000210210 [1,0,0,1,0,0|1,0,1]=4 477 B11R1.248 CCN1CCCCCCCC1 2230a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 478 B11R1.248 CCN1CCCCCCCC1 269982a_100000039187_100000204670 [1,0,0,1,0,0|1,0,1]=4 479 B11R1.248 CCN1CCCCCCCC1 34a_100000039187_100000210202 [1,0,0,1,0,0|1,0,1]=4 480 B11R1.248 FCN1CCCCCCCC1 269982a_100000039187_100015361967 [1,0,0,1,0,0|1,0,1]=4 481 B11R1.248 FCN1CCCCCCCC1 34a_100000039187_100015361967 [1,0,0,1,0,0|1,0,1]=4 482 B11R1.317 CCCCN(CC)C1CCC1 2230a_100000758130_100000210211 [1,0,0,1,0,0|1,0,1]=4 483 B11R1.317 CCCCN(CC)C1CCC1 269982a_100000207695_100000749161 [1,0,0,1,0,0|1,0,1]=4 484 B11R1.317 CCCCN(CC)C1CCC1 269982a_100000758130_100000210211 [1,0,0,1,0,0|1,0,1]=4 485 B11R1.317 CCCCN(CC)C1CCC1 270004a_100000207695_100000241760 [1,0,0,1,0,0|1,0,1]=4 486 B11R1.319 CCCCN(CC)CC1CC1 2230a_100000207695_100000742324 [1,0,0,1,0,0|1,0,1]=4 487 B11R1.319 CCCCN(CC)CC1CC1 269982a_100000207695_100000756562 [1,0,0,1,0,0|1,0,1]=4 488 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [1,0,0,1,0,0|1,1,0]=4 489 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [1,0,0,1,0,0|1,1,0]=4 490 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [1,0,0,1,0,0|1,1,0]=4 491 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [1,0,0,1,0,0|1,1,0]=4 492 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [1,0,0,1,0,0|1,1,0]=4 493 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [1,0,0,1,0,0|1,1,0]=4 494 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [1,0,0,1,0,0|1,1,0]=4 495 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [1,0,0,1,0,0|1,1,0]=4 496 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [1,0,0,1,0,0|1,1,0]=4 497 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [1,0,0,1,0,0|1,1,0]=4 498 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [1,0,0,1,0,0|1,1,0]=4 499 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [1,0,0,1,0,0|1,1,0]=4 500 B11R1.806 CCCN(CC1CC1)C(=O)C 11a_100000210729_100015343762 [1,0,0,1,0,0|1,1,0]=4 501 B11R1.806 CCCN(CC1CC1)C(=O)C 1626a_100000210729_100015343762 [1,0,0,1,0,0|1,1,0]=4 502 B11R1.806 CCCN(CC1CC1)C(=O)C 240690a_100000210729_100015343762 [1,0,0,1,0,0|1,1,0]=4 503 B11R1.806 CCCN(CC1CC1)C(=O)C 527a_100000210729_100103153847 [1,0,0,1,0,0|1,1,0]=4 504 B13R1.380 C=C(C)CN1CCCCC1CCC 2230a_100000701414_100000748629 [0,0,0,1,0,1|2,0,0]=4 505 B13R1.380 C=C(C)CN1CCCCC1CCC 269982a_100000701414_100000748629 [0,0,0,1,0,1|2,0,0]=4 506 B13R1.380 C=C(C)CN1CCCCC1CCC 34a_100000701414_100000748629 [0,0,0,1,0,1|2,0,0]=4 507 B13R1.380 C=C(F)CN1CCCCC1CCC 2230a_100000701414_100009893438 [0,0,0,1,0,1|2,0,0]=4 508 B13R1.380 C=C(F)CN1CCCCC1CCC 269982a_100000701414_100009893438 [0,0,0,1,0,1|2,0,0]=4 509 B13R1.380 C=C(F)CN1CCCCC1CCC 34a_100000701414_100009893438 [0,0,0,1,0,1|2,0,0]=4 510 B13R1.380 CCCC1CCCCN1CC(=O)N 2230a_100000701414_100000747473 [0,0,0,1,0,1|1,1,0]=4 511 B13R1.380 CCCC1CCCCN1CC(=O)N 269982a_100000701414_100000187820 [0,0,0,1,0,1|1,1,0]=4 512 B13R1.380 CCCC1CCCCN1CC(=O)N 34a_100000701414_100000187820 [0,0,0,1,0,1|1,1,0]=4 513 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 269982a_100000701414_100020667443 [0,0,0,1,0,1|0,2,0]=4 514 B13R1.380 CCCC1CCCCN1CC(=O)[O-] 34a_100000701414_100020667443 [0,0,0,1,0,1|0,2,0]=4 515 B13R1.572 CCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210211 [0,0,0,1,0,1|1,1,0]=4 516 B13R1.572 CCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210211 [0,0,0,1,0,1|1,1,0]=4 517 B13R1.572 CCCCN1CCCCC1C(=O)N 34a_100000181395_100000210210 [0,0,0,1,0,1|1,1,0]=4 518 B13R1.572 CCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210211 [0,0,0,1,0,1|0,2,0]=4 519 B13R1.1107 C=C(C)CN1CCCCCCCC1 2230a_100000039187_100000748629 [0,0,0,1,0,1|2,0,0]=4 520 B13R1.1107 C=C(C)CN1CCCCCCCC1 269982a_100000039187_100000748629 [0,0,0,1,0,1|2,0,0]=4 521 B13R1.1107 C=C(C)CN1CCCCCCCC1 34a_100000039187_100000748629 [0,0,0,1,0,1|2,0,0]=4 522 B13R1.1107 C=C(F)CN1CCCCCCCC1 2230a_100000039187_100009893438 [0,0,0,1,0,1|2,0,0]=4 523 B13R1.1107 C=C(F)CN1CCCCCCCC1 269982a_100000039187_100009893438 [0,0,0,1,0,1|2,0,0]=4 524 B13R1.1107 C=C(F)CN1CCCCCCCC1 34a_100000039187_100009893438 [0,0,0,1,0,1|2,0,0]=4 525 B13R1.1107 NC(=O)CN1CCCCCCCC1 2230a_100000039187_100000747473 [0,0,0,1,0,1|1,1,0]=4 526 B13R1.1107 NC(=O)CN1CCCCCCCC1 269982a_100000039187_100000187820 [0,0,0,1,0,1|1,1,0]=4 527 B13R1.1107 NC(=O)CN1CCCCCCCC1 34a_100000039187_100000187820 [0,0,0,1,0,1|1,1,0]=4 528 B13R1.1107 O=C([O-])CN1CCCCCCCC1 269982a_100000039187_100020667443 [0,0,0,1,0,1|0,2,0]=4 529 B13R1.1107 O=C([O-])CN1CCCCCCCC1 34a_100000039187_100020667443 [0,0,0,1,0,1|0,2,0]=4 530 B13R1.7773 CCCCN(CCCC)CC1CS1 269982a_100000684618_100000031435 [0,0,0,1,0,1|1,0,1]=4 531 B13R1.34 CNCCCN1CCCCCC1=O 2230a_100000195386_200000210301 [0,1,0,1,0,0|1,1,0]=4 532 B13R1.34 CNCCCN1CCCCCC1=O 34a_100000195386_200000210301 [0,1,0,1,0,0|1,1,0]=4 533 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 2230a_100000195386_200025704644 [0,1,0,1,0,0|1,1,0]=4 534 B13R1.34 [13CH3]NCCCN1CCCCCC1=O 34a_100000195386_200025704644 [0,1,0,1,0,0|1,1,0]=4 535 B13R1.172 CCCCN(C(=O)C)C1CCCC1 11a_100015187791_100015343762 [0,1,0,1,0,0|1,1,0]=4 536 B13R1.172 CCCCN(C(=O)C)C1CCCC1 1626a_100015187791_100015343762 [0,1,0,1,0,0|1,1,0]=4 537 B13R1.172 CCCCN(C(=O)C)C1CCCC1 240690a_100015187791_100015343762 [0,1,0,1,0,0|1,1,0]=4 538 B13R1.172 CCCCN(C(=O)C)C1CCCC1 527a_100015187791_100103153847 [0,1,0,1,0,0|1,1,0]=4 539 B13R1.382 C=CC(=O)N1CCCCC1CCC 1626a_100000701414_100000185746 [0,1,0,1,0,0|1,1,0]=4 540 B13R1.382 C=CC(=O)N1CCCCC1CCC 240690a_100000701414_200121576911 [0,1,0,1,0,0|1,1,0]=4 541 B13R1.382 CCCC1CCCCN1C(=O)CC 11a_100000701414_100000210414 [0,1,0,1,0,0|1,1,0]=4 542 B13R1.382 CCCC1CCCCN1C(=O)CC 1626a_100000701414_100000210414 [0,1,0,1,0,0|1,1,0]=4 543 B13R1.382 CCCC1CCCCN1C(=O)CC 240690a_100000701414_100000210414 [0,1,0,1,0,0|1,1,0]=4 544 B13R1.382 CCCC1CCCCN1C(=O)CC 527a_100000701414_100000210414 [0,1,0,1,0,0|1,1,0]=4 545 B13R1.382 CCCC1CCCCN1C(=O)CO 240690a_100000701414_100000210174 [0,1,0,1,0,0|0,2,0]=4 546 B13R1.382 CCCC1CCCCN1C(=O)CO 527a_100000701414_100000210174 [0,1,0,1,0,0|0,2,0]=4 547 B13R1.382 CCCC1CCCCN1C(=O)NC 2708a_100102657272_100000701414 [0,1,0,1,0,0|1,1,0]=4 548 B13R1.382 CCCC1CCCCN1C(=O)NC 273464a_100102657272_100000701414 [0,1,0,1,0,0|1,1,0]=4 549 B13R1.1689 C=CC(=O)N1CCCCCCCC1 1626a_100000039187_100000185746 [0,1,0,1,0,0|1,1,0]=4 550 B13R1.1689 C=CC(=O)N1CCCCCCCC1 240690a_100000039187_200121576911 [0,1,0,1,0,0|1,1,0]=4 551 B13R1.1689 CCC(=O)N1CCCCCCCC1 11a_100000039187_100000210414 [0,1,0,1,0,0|1,1,0]=4 552 B13R1.1689 CCC(=O)N1CCCCCCCC1 1626a_100000039187_100000210414 [0,1,0,1,0,0|1,1,0]=4 553 B13R1.1689 CCC(=O)N1CCCCCCCC1 240690a_100000039187_100000210414 [0,1,0,1,0,0|1,1,0]=4 554 B13R1.1689 CCC(=O)N1CCCCCCCC1 527a_100000039187_100000210414 [0,1,0,1,0,0|1,1,0]=4 555 B13R1.1689 CNC(=O)N1CCCCCCCC1 2708a_100102657272_100000039187 [0,1,0,1,0,0|1,1,0]=4 556 B13R1.1689 CNC(=O)N1CCCCCCCC1 273464a_100102657272_100000039187 [0,1,0,1,0,0|1,1,0]=4 557 B13R1.1689 O=C(CO)N1CCCCCCCC1 240690a_100000039187_100000210174 [0,1,0,1,0,0|0,2,0]=4 558 B13R1.1689 O=C(CO)N1CCCCCCCC1 527a_100000039187_100000210174 [0,1,0,1,0,0|0,2,0]=4 559 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 11a_100015204113_100015343762 [0,0,0,2,0,0|1,1,0]=4 560 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 1626a_100015204113_100015343762 [0,0,0,2,0,0|1,1,0]=4 561 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 240690a_100015204113_100015343762 [0,0,0,2,0,0|1,1,0]=4 562 B13R2.435 CC(=O)N1C[C@H]2CCCC[C@H]2C1 527a_100015204113_100103153847 [0,0,0,2,0,0|1,1,0]=4 563 B11R0.47 C=C(C)CN(CCC)CCCC 2230a_200000207744_100000748629 [1,0,0,0,0,1|2,0,0]=4 564 B11R0.47 C=C(C)CN(CCC)CCCC 269982a_200000207744_100000748629 [1,0,0,0,0,1|2,0,0]=4 565 B11R0.47 C=C(F)CN(CCC)CCCC 2230a_200000207744_100009893438 [1,0,0,0,0,1|2,0,0]=4 566 B11R0.47 C=C(F)CN(CCC)CCCC 269982a_200000207744_100009893438 [1,0,0,0,0,1|2,0,0]=4 567 B11R0.47 CCCCN(CCC)CC(=O)N 2230a_200000207744_100000747473 [1,0,0,0,0,1|1,1,0]=4 568 B11R0.47 CCCCN(CCC)CC(=O)N 269982a_200000207744_100000187820 [1,0,0,0,0,1|1,1,0]=4 569 B11R0.47 CCCCN(CCC)CC(=O)[O-] 269982a_200000207744_100020667443 [1,0,0,0,0,1|0,2,0]=4 570 B13R0.1318 C=C(C)CCN(CCCC)CCCC 2230a_100000684618_100000730704 [0,0,0,0,0,2|2,0,0]=4 571 B13R0.1318 C=C(C)CCN(CCCC)CCCC 269982a_100000684618_100000730704 [0,0,0,0,0,2|2,0,0]=4 572 B13R0.1318 CCCCN(CC=C(C)C)CCCC 2230a_100000684618_100000761012 [0,0,0,0,0,2|2,0,0]=4 573 B13R0.1318 CCCCN(CC=C(C)C)CCCC 269982a_100000684618_100000761012 [0,0,0,0,0,2|2,0,0]=4 574 B13R0.1318 CCCCN(CCCC)CCC(=O)C 1458a_100000070787_200015355915 [0,0,0,0,0,2|1,1,0]=4 575 B13R0.1318 CCCCN(CCCC)CCC(=O)C 269982a_100000684618_100000053229 [0,0,0,0,0,2|1,1,0]=4 576 B13R0.1318 CCCCN(CCCC)CCC(=O)N 2230a_100000684618_100000744528 [0,0,0,0,0,2|1,1,0]=4 577 B13R0.1318 CCCCN(CCCC)CCC(=O)N 269982a_100000684618_100000744528 [0,0,0,0,0,2|1,1,0]=4 578 B13R0.1318 CCCCN(CCCC)COC(=O)C 269982a_100000684618_100000076356 [0,0,0,0,0,2|1,1,0]=4