0 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.23 CC(C)C[C@H](NCF)C(=O)N 34a_100016989234_100015361967 [0,0,0,0,0,0|4,0,0]=4 5 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [0,0,0,0,0,0|3,0,0]=3 7 B10R0.23 CCCN(CC(C)O)C(C)C 2230a_106256033942_100011218427 [0,0,0,0,0,0|3,0,1]=4 8 B10R0.23 CCCN(CC(C)O)C(C)C 269982a_106256033942_100011218427 [0,0,0,0,0,0|3,0,1]=4 9 B10R0.23 CCCN(C[C@@H](C)O)C(C)C 2230a_106256033942_100009817552 [0,0,0,0,0,0|3,0,1]=4 10 B10R0.23 CCCN(C[C@@H](C)O)C(C)C 269982a_106256033942_100009817552 [0,0,0,0,0,0|3,0,1]=4 11 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,0,0,0,0,0|2,0,2]=4 12 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,0,0,0,0,0|2,0,2]=4 13 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,0,0,0,0,0|2,0,2]=4 14 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,0,0,0,0,0|2,0,2]=4 15 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,0,0,0,0,0|2,0,2]=4 16 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,0,0,0,0,0|2,0,2]=4 17 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,0,0,0,0,0|3,0,0]=3 18 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,0,0,0,0,0|3,0,0]=3 19 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,0,0,0,0,0|2,0,0]=2 20 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,0,0,0,0,0|3,0,0]=3 21 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,0,0,0,0,0|3,0,0]=3 22 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,0,0,0,0,0|2,0,1]=3 23 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,0,0,0,0,0|3,0,0]=3 24 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,0,0,0,0,0|3,0,1]=4 25 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,0,0,0,0,0|3,0,0]=3 26 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,0,0,0,0,0|3,0,0]=3 27 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,0,0,0,0,0|3,0,0]=4 28 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,0,0,0,0,0|3,0,0]=4 29 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [1,0,0,0,0,0|3,0,0]=4 30 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [1,0,0,0,0,0|3,0,0]=4 31 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,0,0,0,0,0|2,0,1]=4 32 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,0,0,0,0,0|3,0,0]=4 33 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,0,0,0,0,0|3,0,0]=4 34 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,0,0,0,0,0|3,0,0]=4 35 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.14 CCCN(CC)CC(C)O 2230a_100000226822_100011218427 [1,0,0,0,0,0|2,0,1]=4 37 B9R0.14 CCCN(CC)CC(C)O 269982a_100000226822_100011218427 [1,0,0,0,0,0|2,0,1]=4 38 B9R0.14 CCCN(CC)C[C@@H](C)O 2230a_100000226822_100009817552 [1,0,0,0,0,0|2,0,1]=4 39 B9R0.14 CCCN(CC)C[C@@H](C)O 269982a_100000226822_100009817552 [1,0,0,0,0,0|2,0,1]=4 40 B9R0.14 CCCN(CC)C[C@H](C)O 2230a_100000729506_100000210303 [1,0,0,0,0,0|2,0,1]=4 41 B9R0.14 CCCN(CC)C[C@H](C)O 269982a_100000729506_100000210303 [1,0,0,0,0,0|2,0,1]=4 42 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [1,0,0,0,0,0|2,0,1]=4 43 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [1,0,0,0,0,0|2,0,1]=4 44 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [1,0,0,0,0,0|2,0,1]=4 45 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [1,0,0,0,0,0|2,0,1]=4 46 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,0,0,0,0,0|2,0,1]=4 47 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,0,0,0,0,0|1,0,0]=2 49 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,0,0,0,0,0|1,0,0]=2 50 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,0,0,0,0,0|1,0,0]=2 51 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 54 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 55 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 60 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,0,0,0,0,0|2,0,0]=3 61 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,0,0,0,0,0|2,0,0]=3 62 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 63 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 64 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,0,0,0,0|1,0,0]=2 65 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,0,0,0,0|2,0,0]=3 67 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,0,0,0,0|2,0,0]=3 68 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,0,0,0,0|2,0,0]=3 69 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,0,0,0,0|2,0,0]=3 70 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [1,0,0,0,0,0|3,0,0]=4 71 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [1,0,0,0,0,0|3,0,0]=4 72 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,0,0,0,0,0|3,0,0]=4 73 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [1,0,0,0,0,0|3,0,0]=4 78 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [1,0,0,0,0,0|3,0,0]=4 79 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [1,0,0,0,0,0|3,0,0]=4 80 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [1,0,0,0,0,0|3,0,0]=4 81 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [1,0,0,0,0,0|3,0,0]=4 82 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [1,0,0,0,0,0|3,0,0]=4 83 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [1,0,0,0,0,0|3,0,0]=4 84 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [1,0,0,0,0,0|3,0,0]=4 85 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [1,0,0,0,0,0|3,0,0]=4 86 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [1,0,0,0,0,0|3,0,0]=4 87 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [1,0,0,0,0,0|3,0,0]=4 88 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [1,0,0,0,0,0|3,0,0]=4 89 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [1,0,0,0,0,0|2,0,0]=3 90 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [1,0,0,0,0,0|2,0,0]=3 91 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [1,0,0,0,0,0|2,0,0]=3 92 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [1,0,0,0,0,0|3,0,0]=4 93 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [1,0,0,0,0,0|3,0,0]=4 94 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [1,0,0,0,0,0|2,0,1]=4 95 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [1,0,0,0,0,0|2,0,1]=4 96 B11R0.16 CC(C)(C)CC(NCF)C(=O)O 269956a_100000691758_100015361967 [0,1,0,0,0,0|3,0,0]=4 97 B11R0.16 CC(C)(F)C[C@H](NCF)C(=O)O 269956a_100016039316_100015361967 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.16 CCCC(CC(F)(F)F)C(=O)C 1458a_100000070787_200010064508 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.16 CCCC(OC(C)(C)C)C(=O)N 34a_100011626294_100000210625 [0,1,0,0,0,0|3,0,0]=4 100 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 11a_107254831479_100015343762 [0,1,0,0,0,0|3,0,0]=4 101 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 1626a_107254831479_100015343762 [0,1,0,0,0,0|3,0,0]=4 102 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 240690a_107254831479_100015343762 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)N 34a_100000729256_100000210625 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [0,1,0,0,0,0|2,0,0]=3 105 B11R0.16 CCC[C@H](NC(F)(F)F)C(=O)O 269956a_100000750406_200000243211 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.16 CCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210202 [0,1,0,0,0,0|2,0,0]=3 107 B11R0.16 CCNC(CC(F)(F)F)C(=O)O 269956a_100000685204_100000210202 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.16 CCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210202 [0,1,0,0,0,0|2,0,0]=3 109 B11R0.16 COC[C@@H](NC(C)(C)C)C(=O)O 269956a_100011998655_100000211941 [0,1,0,0,0,0|3,0,0]=4 110 B11R0.16 CSC[C@H](NC(C)(C)C)C(=O)O 269956a_100011421858_100000211941 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.16 C[Se]C[C@H](NC(C)(C)C)C(=O)O 269956a_100015254316_100000211941 [0,1,0,0,0,0|3,0,0]=4 112 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 11a_100000201412_100015343762 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 1626a_100000201412_100015343762 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 240690a_100000201412_100015343762 [0,1,0,0,0,0|3,0,0]=4 115 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 527a_100000201412_100103153847 [0,1,0,0,0,0|3,0,0]=4 116 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 240690a_100011218400_100015343762 [0,1,0,0,0,0|2,0,0]=3 117 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 527a_100011218400_100103153847 [0,1,0,0,0,0|2,0,0]=3 118 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 2230a_100016989234_100000210206 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 34a_100016989234_100000210206 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.32 CC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210206 [0,1,0,0,0,0|2,0,1]=4 121 B11R0.39 C=CC(=O)N(CCO)CC(C)O 240690a_100000731851_200121576911 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.39 CC(C)CN(CCO)C(=O)CO 240690a_100015185251_100000210174 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.39 CC(C)CN(CCO)C(=O)CO 527a_100015185251_100000210174 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.39 CC(O)CN(CCO)C(=O)CO 240690a_100000731851_100000210174 [0,1,0,0,0,0|2,0,0]=3 125 B11R0.39 CC(O)CN(CCO)C(=O)CO 527a_100000731851_100000210174 [0,1,0,0,0,0|2,0,0]=3 126 B11R0.39 CCC(=O)N(CCO)CC(C)O 240690a_100000731851_100000210414 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.39 CCC(=O)N(CCO)CC(C)O 527a_100000731851_100000210414 [0,1,0,0,0,0|3,0,0]=4 128 B11R0.39 CCCC(NC(=O)C)C(=O)OC 188690a_100000696665_100015343762 [0,1,0,0,0,0|1,0,2]=4 129 B11R0.39 CCCC(NC(C)C)C(=O)NC 2230a_106256046333_100000210206 [0,1,0,0,0,0|3,0,0]=4 130 B11R0.39 CCCC(NC(C)C)C(=O)NC 34a_106256046333_100000210206 [0,1,0,0,0,0|3,0,0]=4 131 B11R0.39 CCCC(NC(C)C)C(=O)OC 2230a_100138425928_200009843822 [0,1,0,0,0,0|2,0,0]=3 132 B11R0.39 CCCC(NC(C)C)C(=O)OC 34a_100138425928_200009843822 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.39 CCCC(OC(C)C)C(=O)OC 34a_100000212225_200009843822 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.39 CCCC(SC(C)C)C(=O)OC 62a_100000210206_200009843822 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.39 CCCC(SC(C)C)C(=O)OC 62a_200009843822_100000210206 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.39 CCCN(CC(C)O)C(C)CO 2230a_100011303929_100011218427 [0,1,0,0,0,0|2,0,1]=4 137 B11R0.39 CCCN(CC(C)O)C(C)CO 269982a_100011303929_100011218427 [0,1,0,0,0,0|2,0,1]=4 138 B11R0.39 CCCN(C[C@@H](C)O)C(C)CO 2230a_100011303929_100009817552 [0,1,0,0,0,0|2,0,1]=4 139 B11R0.39 CCCN(C[C@@H](C)O)C(C)CO 269982a_100011303929_100009817552 [0,1,0,0,0,0|2,0,1]=4 140 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210202 [0,1,0,0,0,0|2,0,0]=3 141 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210202 [0,1,0,0,0,0|2,0,0]=3 142 B11R0.39 CNC(=O)N(CCO)CC(C)O 2708a_100102657272_100000731851 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 34a_100014169393_100015361967 [0,1,0,0,0,0|3,0,0]=4 144 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 7a_100014169393_100015361967 [0,1,0,0,0,0|3,0,0]=4 145 B11R0.39 COCC(NC(C)C)C(=O)OC 34a_100138425928_100000717350 [0,1,0,0,0,0|3,0,0]=4 146 B11R0.39 COCC(OC(C)C)C(=O)OC 34a_100000212225_100000717350 [0,1,0,0,0,0|3,0,0]=4 147 B11R0.39 COCC(SC(C)C)C(=O)OC 62a_100000210206_100000717350 [0,1,0,0,0,0|3,0,0]=4 148 B11R0.39 COCC(SC(C)C)C(=O)OC 62a_100000717350_100000210206 [0,1,0,0,0,0|3,0,0]=4 149 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 11a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 150 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 1626a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 151 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 240690a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 152 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 527a_200015185082_100103153847 [0,1,0,0,0,0|3,0,0]=4 153 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,1,0,0,0,0|2,0,0]=3 154 B11R0.115 CC[C@H](C)[C@H](NC(C)C)C(=O)N 2230a_100000758034_100000210206 [0,1,0,0,0,0|3,0,0]=4 155 B11R0.115 CO[C@H](C)[C@H](NC(C)C)C(=O)O 269956a_100015335849_100000210206 [0,1,0,0,0,0|3,0,0]=4 156 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 2230a_100016989234_100011217306 [0,1,0,0,0,0|3,0,0]=4 157 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 34a_100016989234_100011217306 [0,1,0,0,0,0|3,0,0]=4 158 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 2230a_100016989234_100000211926 [0,1,0,0,0,0|3,0,0]=4 159 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 34a_100016989234_100000211926 [0,1,0,0,0,0|3,0,0]=4 160 B11R0.160 CCCCC(NC(C)C)C(=O)N 2230a_100138425928_100000748834 [0,1,0,0,0,0|3,0,0]=4 161 B11R0.160 CCCCC(NC(C)C)C(=O)N 34a_100138425928_100000748834 [0,1,0,0,0,0|3,0,0]=4 162 B11R0.160 CCCCC(OC(C)C)C(=O)N 34a_100000212225_100000748834 [0,1,0,0,0,0|3,0,0]=4 163 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000210206_100000748834 [0,1,0,0,0,0|3,0,0]=4 164 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000748834_100000210206 [0,1,0,0,0,0|3,0,0]=4 165 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 2230a_100000124899_100000210206 [0,1,0,0,0,0|3,0,0]=4 166 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 34a_100000124899_100000210206 [0,1,0,0,0,0|3,0,0]=4 167 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210303 [0,1,0,0,0,0|2,0,0]=3 168 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210303 [0,1,0,0,0,0|2,0,0]=3 169 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,1,0,0,0,0|1,0,1]=3 170 B11R0.160 COCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000766300 [0,1,0,0,0,0|3,0,0]=4 171 B11R0.160 COCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000766300 [0,1,0,0,0,0|2,0,1]=4 172 B11R0.160 CS(=O)C[C@H](NCCF)C(=O)O 269956a_100009817418_100011217306 [0,1,0,0,0,0|2,0,1]=4 173 B11R0.160 CS(=O)C[C@H](NCCO)C(=O)O 269956a_100009817418_100000211926 [0,1,0,0,0,0|2,0,1]=4 174 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 2230a_100000119342_100000210206 [0,1,0,0,0,0|3,0,0]=4 175 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 34a_100000119342_100000210206 [0,1,0,0,0,0|3,0,0]=4 176 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,1,0,0,0,0|2,0,0]=3 177 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011218213 [0,1,0,0,0,0|3,0,0]=4 178 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011218213 [0,1,0,0,0,0|3,0,0]=4 179 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,1,0,0,0,0|2,0,1]=4 180 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,1,0,0,0,0|2,0,0]=3 181 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)N 34a_100000729256_200000035995 [0,1,0,0,0,0|3,0,0]=4 182 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,1,0,0,0,0|2,0,0]=3 183 B11R0.236 C#CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_200000035995 [0,1,0,0,0,0|3,0,0]=4 184 B11R0.236 C#CC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000035995 [0,1,0,0,0,0|3,0,0]=4 185 B11R0.236 C#CC(C)N[C@H](COC)C(=O)O 269956a_100011998655_200000035995 [0,1,0,0,0,0|3,0,0]=4 186 B11R0.236 C#CC(C)OC(CCC)C(=O)N 34a_100011626294_200000035995 [0,1,0,0,0,0|3,0,0]=4 187 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,1,0,0,0,0|2,0,0]=3 188 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100011215867 [0,1,0,0,0,0|3,0,0]=4 189 B11R0.236 C=CC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011215867 [0,1,0,0,0,0|3,0,0]=4 190 B11R0.236 C=CC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100011215867 [0,1,0,0,0,0|3,0,0]=4 191 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,1,0,0,0,0|3,0,0]=4 192 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,1,0,0,0,0|3,0,0]=4 193 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,1,0,0,0,0|3,0,0]=4 194 B11R0.236 CCCC(OC(C)C#N)C(=O)N 7a_100011626294_100000703298 [0,1,0,0,0,0|3,0,0]=4 195 B11R0.236 CCCC(OC(C)CC)C(=O)N 34a_100011626294_100011215416 [0,1,0,0,0,0|3,0,0]=4 196 B11R0.236 CCCC(OC(C)CC)C(=O)N 7a_100011626294_100000758301 [0,1,0,0,0,0|3,0,0]=4 197 B11R0.236 CCCC(OC(C)CO)C(=O)N 34a_100011626294_100012180447 [0,1,0,0,0,0|2,0,0]=3 198 B11R0.236 CCCC(OC(C)CO)C(=O)N 7a_100011626294_100012180447 [0,1,0,0,0,0|2,0,0]=3 199 B11R0.236 CCCN(CC(O)CO)C(=O)C 240690a_200000156893_100015343762 [0,1,0,0,0,0|2,0,0]=3 200 B11R0.236 CCCN(CC(O)CO)C(=O)C 527a_200000156893_100103153847 [0,1,0,0,0,0|2,0,0]=3 201 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)N 2230a_100000729256_100000184139 [0,1,0,0,0,0|3,0,0]=4 202 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,1,0,0,0,0|2,0,0]=3 203 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 2230a_100000729256_100000758301 [0,1,0,0,0,0|3,0,0]=4 204 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 34a_100000729256_100011215416 [0,1,0,0,0,0|3,0,0]=4 205 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,1,0,0,0,0|2,0,0]=3 206 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 2230a_100000729256_100012180447 [0,1,0,0,0,0|2,0,0]=3 207 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 34a_100000729256_100012180447 [0,1,0,0,0,0|2,0,0]=3 208 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,1,0,0,0,0|1,0,0]=2 209 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,1,0,0,0,0|1,0,0]=2 210 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [0,1,0,0,0,0|2,0,0]=3 211 B11R0.236 COC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009879195 [0,1,0,0,0,0|2,0,0]=3 212 B11R0.236 COC[C@@H](NC(C)C#N)C(=O)O 269956a_100011998655_100000184139 [0,1,0,0,0,0|3,0,0]=4 213 B11R0.236 COC[C@@H](NC(C)OC)C(=O)O 269956a_100011998655_100009879195 [0,1,0,0,0,0|2,0,0]=3 214 B11R0.236 COC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100011998655_100016084084 [0,1,0,0,0,0|2,0,0]=3 215 B11R0.236 CSC[C@H](NC(C)C#N)C(=O)O 269956a_100011421858_100000184139 [0,1,0,0,0,0|3,0,0]=4 216 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [0,1,0,0,0,0|2,0,0]=3 217 B11R0.236 C[Se]C[C@H](NC(C)C#N)C(=O)O 269956a_100015254316_100000184139 [0,1,0,0,0,0|3,0,0]=4 218 B11R0.236 C[Se]C[C@H](N[C@H](C)CO)C(=O)O 269956a_100015254316_100016084084 [0,1,0,0,0,0|2,0,0]=3 219 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100015343762 [0,0,0,1,0,0|3,0,0]=4 220 B11R1.49 CC(=O)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100103153847 [0,0,0,1,0,0|3,0,0]=4 221 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210202 [0,0,0,1,0,0|2,0,0]=3 222 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000204670 [0,0,0,1,0,0|2,0,0]=3 223 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210202 [0,0,0,1,0,0|3,0,0]=4 224 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000204670 [0,0,0,1,0,0|3,0,0]=4 225 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210202 [0,0,0,1,0,0|3,0,0]=4 226 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,0,0,1,0,0|2,0,0]=3 227 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,0,0,1,0,0|1,0,0]=2 228 B11R1.49 NC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100020587027_100015361967 [0,0,0,1,0,0|3,0,0]=4 229 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [0,0,0,1,0,0|3,0,0]=4 230 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [0,0,0,1,0,0|2,0,0]=3 231 B11R1.74 CC(=O)N1CC(CC(C1)C)C 11a_100000210448_100015343762 [0,0,0,1,0,0|3,0,0]=4 232 B11R1.74 CC(=O)N1CC(CC(C1)C)C 240690a_100000210448_100015343762 [0,0,0,1,0,0|3,0,0]=4 233 B11R1.74 CC(=O)N1CC(CC(C1)C)C 527a_100000210448_100103153847 [0,0,0,1,0,0|3,0,0]=4 234 B11R1.74 CC(=O)N1CC(OC(C1)C)C 11a_100000210032_100015343762 [0,0,0,1,0,0|2,0,0]=3 235 B11R1.74 CC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100015343762 [0,0,0,1,0,0|2,0,0]=3 236 B11R1.74 CC(=O)N1CC(OC(C1)C)C 240690a_100000210032_100015343762 [0,0,0,1,0,0|2,0,0]=3 237 B11R1.74 CC(=O)N1CC(OC(C1)C)C 527a_100000210032_100103153847 [0,0,0,1,0,0|2,0,0]=3 238 B11R1.74 CC1CC(CC(O1)C)N(C)C 270004a_100102631434_200102525066 [0,0,0,1,0,0|3,0,0]=4 239 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,0,0,1,0,0|3,0,0]=4 240 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,0,0,1,0,0|3,0,0]=4 241 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,0,0,1,0,0|3,0,0]=4 242 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,0,0,1,0,0|3,0,0]=4 243 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,0,0,1,0,0|3,0,0]=4 244 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,0,0,1,0,0|3,0,0]=4 245 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,0,0,1,0,0|3,0,0]=4 246 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,0,0,1,0,0|3,0,0]=4 247 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,0,0,1,0,0|3,0,0]=4 248 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,0,0,1,0,0|3,0,0]=4 249 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,0,0,1,0,0|3,0,0]=4 250 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,0,0,1,0,0|3,0,0]=4 251 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,0,0,1,0,0|3,0,0]=4 252 B11R1.178 CC(=O)N1CCCC1C(C)C 11a_100000762757_100015343762 [0,0,0,1,0,0|3,0,0]=4 253 B11R1.178 CC(=O)N1CCCC1C(C)C 1626a_100000762757_100015343762 [0,0,0,1,0,0|3,0,0]=4 254 B11R1.178 CC(=O)N1CCCC1C(C)C 240690a_100000762757_100015343762 [0,0,0,1,0,0|3,0,0]=4 255 B11R1.178 CC(=O)N1CCCC1C(C)C 527a_100000762757_100103153847 [0,0,0,1,0,0|3,0,0]=4 256 B11R1.178 CC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_200000210301 [0,0,0,1,0,0|3,0,0]=4 257 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)[13CH3] 1458a_100009927065_200025704644 [0,0,0,1,0,0|3,0,0]=4 258 B11R1.178 CC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000210206 [0,0,0,1,0,0|3,0,0]=4 259 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,0,0,1,0,0|2,0,0]=3 260 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [0,0,0,1,0,0|3,0,0]=4 261 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,0,0,1,0,0|3,0,0]=4 262 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,0,0,1,0,0|2,0,0]=3 263 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 11a_100016073750_100015343762 [0,0,0,1,0,0|3,0,0]=4 264 B11R1.497 CC(=O)N1CCOC[C@@H](C1)O 240690a_100016073750_100015343762 [0,0,0,1,0,0|3,0,0]=4 265 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,0,0,1,0,0|2,0,0]=3 266 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,0,0,1,0,0|2,0,0]=3 267 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,0,0,1,0,0|2,0,0]=3 268 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,0,0,1,0,0|2,0,0]=3 269 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,0,0,1,0,0|2,0,0]=3 270 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,0,0,1,0,0|3,0,0]=4 271 B11R1.730 CC(=O)N1CCCC(C1)(C)C 11a_100000716857_100015343762 [0,0,0,1,0,0|3,0,0]=4 272 B11R1.730 CC(=O)N1CCCC(C1)(C)C 1626a_100000716857_100015343762 [0,0,0,1,0,0|3,0,0]=4 273 B11R1.730 CC(=O)N1CCCC(C1)(C)C 240690a_100000716857_100015343762 [0,0,0,1,0,0|3,0,0]=4 274 B11R1.730 CC(=O)N1CCCC(C1)(C)C 527a_100000716857_100103153847 [0,0,0,1,0,0|3,0,0]=4 275 B11R1.730 CC(=O)N1CCCC(C1)(C)O 11a_100000695535_100015343762 [0,0,0,1,0,0|2,0,0]=3 276 B11R1.730 CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100015343762 [0,0,0,1,0,0|2,0,0]=3 277 B11R1.730 CC(=O)N1CCCC(C1)(C)O 527a_100000695535_100103153847 [0,0,0,1,0,0|2,0,0]=3 278 B11R1.806 CCCC(OC1CC1)C(=O)N 34a_100011626294_100000211595 [0,0,0,1,0,0|3,0,0]=4 279 B11R1.806 CCCN(CC1CC1)C(=O)C 11a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 280 B11R1.806 CCCN(CC1CC1)C(=O)C 1626a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 281 B11R1.806 CCCN(CC1CC1)C(=O)C 240690a_100000210729_100015343762 [0,0,0,1,0,0|3,0,0]=4 282 B11R1.806 CCCN(CC1CC1)C(=O)C 527a_100000210729_100103153847 [0,0,0,1,0,0|3,0,0]=4 283 B11R1.806 CCC[C@H](NC1CC1)C(=O)N 34a_100000729256_100000211595 [0,0,0,1,0,0|3,0,0]=4 284 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,0,0,1,0,0|2,0,0]=3 285 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,0,0,1,0,0|3,0,0]=4 286 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,0,0,1,0,0|3,0,0]=4 287 B11R1.806 C[Se]C[C@H](NC1CC1)C(=O)O 269956a_100015254316_100000211595 [0,0,0,1,0,0|3,0,0]=4 288 B11R1.925 CC(=O)N(CC(C)C)C1CC1 11a_100000737031_100015343762 [0,0,0,1,0,0|3,0,0]=4 289 B11R1.925 CC(=O)N(CC(C)C)C1CC1 1626a_100000737031_100015343762 [0,0,0,1,0,0|3,0,0]=4 290 B11R1.925 CC(=O)N(CC(C)C)C1CC1 240690a_100000737031_100015343762 [0,0,0,1,0,0|3,0,0]=4 291 B11R1.925 CC(=O)N(CC(C)C)C1CC1 527a_100000737031_100103153847 [0,0,0,1,0,0|3,0,0]=4 292 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [0,0,0,1,0,0|2,0,0]=3 293 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [0,0,0,0,1,0|3,0,0]=4 294 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [0,0,0,0,1,0|2,0,0]=3 295 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [0,0,0,0,1,0|3,0,0]=4 296 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [0,0,0,0,1,0|3,0,0]=4 297 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [0,0,0,0,1,0|3,0,0]=4 298 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [0,0,0,0,1,0|3,0,0]=4 299 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [0,0,0,0,1,0|1,0,0]=2 300 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [0,0,0,0,1,0|2,0,0]=3 301 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [0,0,0,0,1,0|2,0,0]=3 302 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [0,0,0,0,1,0|3,0,0]=4 303 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [0,0,0,0,1,0|3,0,0]=4 304 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [0,0,0,0,1,0|3,0,0]=4 305 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [0,0,0,0,1,0|3,0,0]=4 306 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [0,0,0,0,1,0|3,0,0]=4 307 B11R0.35 C#CCN(CC(=O)O)CC(C)O 269956a_100011236498_100011218427 [0,0,0,0,0,1|1,0,2]=4 308 B11R0.35 C#CCN(CC(=O)O)C[C@@H](C)O 269956a_100011236498_100009817552 [0,0,0,0,0,1|1,0,2]=4 309 B11R0.35 C=CCN(CC(=O)O)CC(C)O 269956a_100000744315_100011218427 [0,0,0,0,0,1|1,0,2]=4 310 B11R0.35 C=CCN(CC(=O)O)C[C@@H](C)O 269956a_100000744315_100009817552 [0,0,0,0,0,1|1,0,2]=4 311 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 1626a_100161151251_100015343762 [0,0,0,0,0,1|3,0,0]=4 312 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 240690a_100161151251_100015343762 [0,0,0,0,0,1|3,0,0]=4 313 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 527a_100161151251_100103153847 [0,0,0,0,0,1|3,0,0]=4 314 B11R0.35 CC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000210760 [0,0,0,0,0,1|3,0,0]=4 315 B11R0.35 CC(O)CN(CCO)CC(=O)N 2230a_100000731851_100000747473 [0,0,0,0,0,1|3,0,0]=4 316 B11R0.35 CC(O)CN(CCO)CC(=O)N 269982a_100000731851_100000187820 [0,0,0,0,0,1|3,0,0]=4 317 B11R0.35 CC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218427 [0,0,0,0,0,1|2,0,0]=3 318 B11R0.35 CC(O)CN(CCO)CC(=O)[O-] 269982a_100000731851_100020667443 [0,0,0,0,0,1|2,0,1]=4 319 B11R0.35 CCCN(CC(C)O)CC(C)O 2230a_100011218400_100000210303 [0,0,0,0,0,1|2,0,1]=4 320 B11R0.35 CCCN(CC(C)O)CC(C)O 269982a_100011218400_100000210303 [0,0,0,0,0,1|2,0,1]=4 321 B11R0.35 C[C@@H](O)CN(CCO)CC(=O)O 269956a_100000747938_100009817552 [0,0,0,0,0,1|2,0,0]=3 322 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748629 [0,0,0,0,0,1|2,0,1]=4 323 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000748629 [0,0,0,0,0,1|2,0,1]=4 324 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,0,0,0,0,1|1,0,1]=3 325 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [0,0,0,0,0,1|2,0,1]=4 326 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [0,0,0,0,0,1|2,0,1]=4 327 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [0,0,0,0,0,1|2,0,1]=4 328 B11R0.146 C=C(C)COC(CCC)C(=O)N 34a_100011626294_100000748629 [0,0,0,0,0,1|2,0,1]=4 329 B11R0.146 C=C(C)COC(CCC)C(=O)N 7a_100011626294_100000748629 [0,0,0,0,0,1|2,0,1]=4 330 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,0,0,0,0,1|1,0,2]=4 331 B11R0.146 CCCC(OCC(C)C)C(=O)N 34a_100011626294_100000210624 [0,0,0,0,0,1|2,0,0]=3 332 B11R0.146 CCCC(OCC(C)C)C(=O)N 7a_100011626294_100000210760 [0,0,0,0,0,1|2,0,0]=3 333 B11R0.146 CCCC(OCC(C)O)C(=O)N 34a_100011626294_100011218427 [0,0,0,0,0,1|1,0,0]=2 334 B11R0.146 CCCC(OCC(C)O)C(=O)N 7a_100011626294_100011218427 [0,0,0,0,0,1|1,0,0]=2 335 B11R0.146 CCCC(OCC(C)O)C(C)C 34a_200011215069_100011218427 [0,0,0,0,0,1|2,0,1]=4 336 B11R0.146 CCCC(OCC(C)O)C(C)C 7a_200011215069_100011218427 [0,0,0,0,0,1|2,0,1]=4 337 B11R0.146 CCCC(OCC(F)F)C(=O)N 34a_100011626294_100011934356 [0,0,0,0,0,1|3,0,0]=4 338 B11R0.146 CCCC(OCC(F)F)C(=O)N 7a_100011626294_100011934356 [0,0,0,0,0,1|3,0,0]=4 339 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 34a_100011626294_100009817552 [0,0,0,0,0,1|1,0,0]=2 340 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 7a_100011626294_100009817552 [0,0,0,0,0,1|1,0,0]=2 341 B11R0.146 CCCC(OC[C@@H](C)O)C(C)C 34a_200011215069_100009817552 [0,0,0,0,0,1|2,0,1]=4 342 B11R0.146 CCCC(OC[C@@H](C)O)C(C)C 7a_200011215069_100009817552 [0,0,0,0,0,1|2,0,1]=4 343 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,0,0,0,0,1|1,0,2]=4 344 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,0,0,0,0,1|1,0,2]=4 345 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 2230a_100000729256_100000210760 [0,0,0,0,0,1|2,0,0]=3 346 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 34a_100000729256_100000210624 [0,0,0,0,0,1|2,0,0]=3 347 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,0,0,0,0,1|1,0,0]=2 348 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 2230a_100000729256_100011218427 [0,0,0,0,0,1|1,0,0]=2 349 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 34a_100000729256_100011218427 [0,0,0,0,0,1|1,0,0]=2 350 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,0,0,0,0,1|0,0,0]=1 351 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 2230a_100000729256_100011934356 [0,0,0,0,0,1|3,0,0]=4 352 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 34a_100000729256_100011934356 [0,0,0,0,0,1|3,0,0]=4 353 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,0,0,0,0,1|2,0,0]=3 354 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000729256_100009817552 [0,0,0,0,0,1|1,0,0]=2 355 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000729256_100009817552 [0,0,0,0,0,1|1,0,0]=2 356 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,0,0,0,0,1|0,0,0]=1 357 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,0,0,0,0,1|2,0,1]=4 358 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,0,0,0,0,1|2,0,1]=4 359 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,0,0,0,0,1|3,0,0]=4 360 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,0,0,0,0,1|2,0,1]=4 361 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,0,0,0,0,1|2,0,0]=3 362 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,0,0,0,0,1|1,0,0]=2 363 B11R0.146 COC[C@@H](NCC(F)F)C(=O)O 269956a_100011998655_100011934356 [0,0,0,0,0,1|3,0,0]=4 364 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,0,0,0,0,1|1,0,0]=2 365 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,0,0,0,0,1|2,0,0]=3 366 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,0,0,0,0,1|1,0,0]=2 367 B11R0.146 CSC[C@H](NCC(F)F)C(=O)O 269956a_100011421858_100011934356 [0,0,0,0,0,1|3,0,0]=4 368 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,0,0,0,0,1|1,0,0]=2 369 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [0,0,0,0,0,1|2,0,0]=3 370 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,0,0,0,0,1|1,0,0]=2 371 B11R0.146 C[Se]C[C@H](NCC(F)F)C(=O)O 269956a_100015254316_100011934356 [0,0,0,0,0,1|3,0,0]=4 372 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,0,0,0,0,1|1,0,0]=2 373 B8R0.5 CC(O)CC(=O)CCO 1458a_100011216618_100011218427 [2,0,0,0,0,0|1,0,1]=4 374 B8R0.5 CCCC(=O)CC(C)C 1458a_100000210554_100000210303 [2,0,0,0,0,0|1,0,1]=4 375 B8R0.5 CCCC(=O)CC(C)C 1458a_100000211992_100000210624 [2,0,0,0,0,0|1,0,1]=4 376 B8R0.5 CCCC(=O)CC(C)O 1458a_100000211992_100011218427 [2,0,0,0,0,0|0,0,1]=3 377 B8R0.5 CCCC(=O)C[C@@H](C)O 1458a_100011933948_100000210303 [2,0,0,0,0,0|0,0,1]=3 378 B8R0.5 CCCN(C)CC(C)O 2230a_100000227577_100000210303 [2,0,0,0,0,0|1,0,1]=4 379 B8R0.5 CCCN(C)CC(C)O 2230a_100000747261_100011218427 [2,0,0,0,0,0|1,0,1]=4 380 B8R0.5 CCCN(C)CC(C)O 269982a_100000227577_100000210303 [2,0,0,0,0,0|1,0,1]=4 381 B8R0.5 CCCN(C)CC(C)O 269982a_100000747261_100011218427 [2,0,0,0,0,0|1,0,1]=4 382 B8R0.5 CCCN(C)C[C@@H](C)O 2230a_100000747261_100009817552 [2,0,0,0,0,0|1,0,1]=4 383 B8R0.5 CCCN(C)C[C@@H](C)O 269982a_100000747261_100009817552 [2,0,0,0,0,0|1,0,1]=4 384 B8R0.5 CCNC(=O)C[C@@H](C)O 240690a_100015525214_100011933948 [2,0,0,0,0,0|1,0,1]=4 385 B8R0.5 COCC(=O)CC(C)O 1458a_100000210968_100011218427 [2,0,0,0,0,0|1,0,1]=4 386 B8R0.5 CSCC(=O)CC(C)O 1458a_100000184570_100011218427 [2,0,0,0,0,0|1,0,1]=4 387 B8R0.5 C[C@@H](O)CC(=O)CCF 1458a_100011933948_100011217306 [2,0,0,0,0,0|1,0,1]=4 388 B8R0.5 C[C@@H](O)CC(=O)CCO 1458a_100011933948_100000211926 [2,0,0,0,0,0|1,0,1]=4 389 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 390 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 391 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 392 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [2,0,0,0,0,0|2,0,0]=4 393 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 394 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [2,0,0,0,0,0|2,0,0]=4 395 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [2,0,0,0,0,0|2,0,0]=4 396 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 397 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 398 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [2,0,0,0,0,0|2,0,0]=4 399 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 400 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 401 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 402 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 403 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [2,0,0,0,0,0|2,0,0]=4 404 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [2,0,0,0,0,0|2,0,0]=4 405 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [2,0,0,0,0,0|2,0,0]=4 406 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [2,0,0,0,0,0|2,0,0]=4 407 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [2,0,0,0,0,0|2,0,0]=4 408 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [2,0,0,0,0,0|2,0,0]=4 409 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [2,0,0,0,0,0|2,0,0]=4 410 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [2,0,0,0,0,0|2,0,0]=4 411 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 412 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 413 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [2,0,0,0,0,0|1,0,0]=3 414 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [2,0,0,0,0,0|1,0,0]=3 415 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [2,0,0,0,0,0|1,0,0]=3 416 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 417 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 418 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 419 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 420 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 421 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 422 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 423 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [2,0,0,0,0,0|2,0,0]=4 424 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 425 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 426 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,0,0,0,0,0|1,0,0]=3 427 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 428 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 429 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,0,0,0,0,0|1,0,0]=3 430 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [2,0,0,0,0,0|2,0,0]=4 431 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [2,0,0,0,0,0|2,0,0]=4 432 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 433 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [2,0,0,0,0,0|2,0,0]=4 434 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 435 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [2,0,0,0,0,0|1,0,0]=3 436 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 437 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 438 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [2,0,0,0,0,0|1,0,0]=3 439 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [2,0,0,0,0,0|2,0,0]=4 440 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [2,0,0,0,0,0|2,0,0]=4 441 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [2,0,0,0,0,0|2,0,0]=4 442 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [2,0,0,0,0,0|2,0,0]=4 443 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,0,0,0,0,0|2,0,0]=4 444 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,0,0,0,0,0|2,0,0]=4 445 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,0,0,0,0,0|2,0,0]=4 446 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,0,0,0,0,0|2,0,0]=4 447 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,0,0,0,0,0|2,0,0]=4 448 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,0,0,0,0,0|2,0,0]=4 449 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [2,0,0,0,0,0|2,0,0]=4 450 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [2,0,0,0,0,0|2,0,0]=4 451 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [2,0,0,0,0,0|2,0,0]=4 452 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [2,0,0,0,0,0|2,0,0]=4 453 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [2,0,0,0,0,0|2,0,0]=4 454 B10R0.29 C=CC(CCC)OC(C)CO 34a_100011216692_100012180447 [1,1,0,0,0,0|2,0,0]=4 455 B10R0.29 C=CC(CCC)OC(C)CO 7a_100011216692_100012180447 [1,1,0,0,0,0|2,0,0]=4 456 B10R0.29 CCC[C@@H](CO)NC(C)CO 2230a_100000732646_100012180447 [1,1,0,0,0,0|1,0,1]=4 457 B10R0.29 CCC[C@@H](CO)NC(C)CO 34a_100000732646_100012180447 [1,1,0,0,0,0|1,0,1]=4 458 B10R0.79 CC(O)CN(CC=O)CCO 2230a_100000731851_200015260668 [1,1,0,0,0,0|2,0,0]=4 459 B10R0.79 CC(O)CN(CC=O)CCO 269982a_100000731851_200015260668 [1,1,0,0,0,0|2,0,0]=4 460 B10R0.79 CCCN(CCO)CC(C)O 2230a_100000211420_100011218427 [1,1,0,0,0,0|1,0,1]=4 461 B10R0.79 CCCN(CCO)CC(C)O 2230a_100000731851_100000210303 [1,1,0,0,0,0|1,0,1]=4 462 B10R0.79 CCCN(CCO)CC(C)O 269982a_100000211420_100011218427 [1,1,0,0,0,0|1,0,1]=4 463 B10R0.79 CCCN(CCO)CC(C)O 269982a_100000731851_100000210303 [1,1,0,0,0,0|1,0,1]=4 464 B10R0.79 CCCN(CCO)C[C@@H](C)O 2230a_100000211420_100009817552 [1,1,0,0,0,0|1,0,1]=4 465 B10R0.79 CCCN(CCO)C[C@@H](C)O 269982a_100000211420_100009817552 [1,1,0,0,0,0|1,0,1]=4 466 B10R0.87 C=CC(CC(C)C)OCCC 34a_100012186643_100000210303 [1,1,0,0,0,0|2,0,0]=4 467 B10R0.87 C=CC(CC(C)C)OCCC 7a_100012186643_100000210303 [1,1,0,0,0,0|2,0,0]=4 468 B10R0.87 CCCN[C@H](CO)CC(C)C 2230a_100011830311_100000210303 [1,1,0,0,0,0|1,0,1]=4 469 B10R0.87 CCCN[C@H](CO)CC(C)C 34a_100011830311_100000210303 [1,1,0,0,0,0|1,0,1]=4 470 B10R0.87 CCNCC(CO)CC(C)C 34a_200000723437_100000210202 [1,1,0,0,0,0|1,0,1]=4 471 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 472 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 473 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [1,1,0,0,0,0|2,0,0]=4 474 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [1,1,0,0,0,0|2,0,0]=4 475 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [1,1,0,0,0,0|2,0,0]=4 476 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [1,1,0,0,0,0|1,0,0]=3 477 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [1,1,0,0,0,0|2,0,0]=4 478 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [1,1,0,0,0,0|2,0,0]=4 479 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [1,1,0,0,0,0|2,0,0]=4 480 B10R0.73 C#CC(=O)C(CCC)CCC 1458a_100000211873_200011218217 [1,1,0,0,0,0|1,0,0]=3 481 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [1,1,0,0,0,0|1,0,0]=3 482 B10R0.73 C=CC(=O)N(CCC)CCC 1626a_100000210455_100000185746 [1,1,0,0,0,0|2,0,0]=4 483 B10R0.73 C=CC(=O)N(CCC)CCC 240690a_100000210455_200121576911 [1,1,0,0,0,0|2,0,0]=4 484 B10R0.73 C=CC(=O)N(CCC)CCO 240690a_100000211420_200121576911 [1,1,0,0,0,0|2,0,0]=4 485 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [1,1,0,0,0,0|1,0,0]=3 486 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [1,1,0,0,0,0|1,0,0]=3 487 B10R0.73 CCCC(CCC)C(=O)CF 1458a_100011215354_100015361967 [1,1,0,0,0,0|1,0,0]=3 488 B10R0.73 CCCC(CCC)C(=O)CO 1458a_100000210174_200011218217 [1,1,0,0,0,0|0,0,0]=2 489 B10R0.73 CCCC(CCC)C(=O)NC 11a_106832991635_100011215354 [1,1,0,0,0,0|1,0,0]=3 490 B10R0.73 CCCC(CCC)C(=O)NC 1626a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 491 B10R0.73 CCCC(CCC)C(=O)NC 240690a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 492 B10R0.73 CCCC(CCC)C(=O)NC 527a_100102657272_100011215354 [1,1,0,0,0,0|1,0,0]=3 493 B10R0.73 CCCC(NCC)C(=O)NC 2230a_106256046333_100000210202 [1,1,0,0,0,0|2,0,0]=4 494 B10R0.73 CCCC(NCC)C(=O)NC 34a_106256046333_100000210202 [1,1,0,0,0,0|2,0,0]=4 495 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [1,1,0,0,0,0|1,0,0]=3 496 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [1,1,0,0,0,0|1,0,0]=3 497 B10R0.73 CCCC(SCC)C(=O)OC 62a_100000210202_200009843822 [1,1,0,0,0,0|1,0,0]=3 498 B10R0.73 CCCC(SCC)C(=O)OC 62a_200009843822_100000210202 [1,1,0,0,0,0|1,0,0]=3 499 B10R0.73 CCCC(SCF)C(=O)OC 62a_100015361967_200009843822 [1,1,0,0,0,0|2,0,0]=4 500 B10R0.73 CCCC(SCF)C(=O)OC 62a_200009843822_100015361967 [1,1,0,0,0,0|2,0,0]=4 501 B10R0.73 CCCN(CCC)C(=O)CC 11a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 502 B10R0.73 CCCN(CCC)C(=O)CC 1626a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 503 B10R0.73 CCCN(CCC)C(=O)CC 240690a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 504 B10R0.73 CCCN(CCC)C(=O)CC 527a_100000210455_100000210414 [1,1,0,0,0,0|2,0,0]=4 505 B10R0.73 CCCN(CCC)C(=O)CO 240690a_100000210455_100000210174 [1,1,0,0,0,0|1,0,0]=3 506 B10R0.73 CCCN(CCC)C(=O)CO 527a_100000210455_100000210174 [1,1,0,0,0,0|1,0,0]=3 507 B10R0.73 CCCN(CCC)C(=O)NC 2708a_100102657272_100000210455 [1,1,0,0,0,0|2,0,0]=4 508 B10R0.73 CCCN(CCC)C(=O)NC 273464a_100102657272_100000210455 [1,1,0,0,0,0|2,0,0]=4 509 B10R0.73 CCCN(CCO)C(=O)CC 240690a_100000211420_100000210414 [1,1,0,0,0,0|2,0,0]=4 510 B10R0.73 CCCN(CCO)C(=O)CO 240690a_100000211420_100000210174 [1,1,0,0,0,0|1,0,0]=3 511 B10R0.73 CCCN(CCO)C(=O)NC 2708a_100102657272_100000211420 [1,1,0,0,0,0|2,0,0]=4 512 B10R0.73 CCCN(CCO)C(=O)NC 273464a_100102657272_100000211420 [1,1,0,0,0,0|2,0,0]=4 513 B10R0.73 CCOC(COC)C(=O)OC 34a_100121572206_100000717350 [1,1,0,0,0,0|2,0,0]=4 514 B10R0.73 CCSC(COC)C(=O)OC 62a_100000210202_100000717350 [1,1,0,0,0,0|2,0,0]=4 515 B10R0.73 CCSC(COC)C(=O)OC 62a_100000717350_100000210202 [1,1,0,0,0,0|2,0,0]=4 516 B10R0.73 O=C(CO)N(CCO)CCO 240690a_100000210587_100000210174 [1,1,0,0,0,0|2,0,0]=4 517 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [1,1,0,0,0,0|0,0,2]=4 518 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [1,1,0,0,0,0|0,0,2]=4 519 B10R0.88 CC(=O)N(CCO)CCCO 240690a_200000212863_100015343762 [1,1,0,0,0,0|2,0,0]=4 520 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 521 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 522 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [1,1,0,0,0,0|1,0,0]=3 523 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [1,1,0,0,0,0|1,0,0]=3 524 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [1,1,0,0,0,0|2,0,0]=4 525 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [1,1,0,0,0,0|1,0,0]=3 526 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [1,1,0,0,0,0|2,0,0]=4 527 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [1,1,0,0,0,0|2,0,0]=4 528 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [1,1,0,0,0,0|2,0,0]=4 529 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [1,1,0,0,0,0|2,0,0]=4 530 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 531 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 532 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 533 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [1,1,0,0,0,0|2,0,0]=4 534 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [1,1,0,0,0,0|2,0,0]=4 535 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 536 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 537 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 538 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 539 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 540 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [1,1,0,0,0,0|2,0,0]=4 541 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [1,1,0,0,0,0|1,0,0]=3 542 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [1,1,0,0,0,0|1,0,0]=3 543 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [1,1,0,0,0,0|0,0,0]=2 544 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [1,1,0,0,0,0|1,0,0]=3 545 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [1,1,0,0,0,0|1,0,0]=3 546 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [1,1,0,0,0,0|1,0,0]=3 547 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [1,1,0,0,0,0|1,0,0]=3 548 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [1,1,0,0,0,0|1,0,0]=3 549 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [1,1,0,0,0,0|1,0,1]=4 550 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [1,1,0,0,0,0|0,0,2]=4 551 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 552 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 553 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [1,1,0,0,0,0|1,0,0]=3 554 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [1,1,0,0,0,0|1,0,0]=3 555 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [1,1,0,0,0,0|1,0,0]=3 556 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [1,1,0,0,0,0|0,0,0]=2 557 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [1,1,0,0,0,0|2,0,0]=4 558 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [1,1,0,0,0,0|1,0,0]=3 559 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 560 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 561 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [1,1,0,0,0,0|1,0,0]=3 562 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 563 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 564 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,1,0,0,0,0|1,0,0]=3 565 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,1,0,0,0,0|1,0,0]=3 566 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [1,1,0,0,0,0|2,0,0]=4 567 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [1,1,0,0,0,0|2,0,0]=4 568 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [1,1,0,0,0,0|2,0,0]=4 569 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [1,1,0,0,0,0|2,0,0]=4 570 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [1,1,0,0,0,0|1,0,0]=3 571 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [1,1,0,0,0,0|2,0,0]=4 572 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [1,1,0,0,0,0|2,0,0]=4 573 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [1,1,0,0,0,0|2,0,0]=4 574 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [1,1,0,0,0,0|2,0,0]=4 575 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [1,1,0,0,0,0|2,0,0]=4 576 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [1,1,0,0,0,0|1,0,0]=3 577 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [1,1,0,0,0,0|2,0,0]=4 578 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [1,1,0,0,0,0|2,0,0]=4 579 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [1,1,0,0,0,0|1,0,0]=3 580 B10R0.53 C#CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_200000035995 [1,1,0,0,0,0|2,0,0]=4 581 B10R0.53 C=CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100011215867 [1,1,0,0,0,0|2,0,0]=4 582 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [1,1,0,0,0,0|2,0,0]=4 583 B10R0.53 CCC(NC(C)CO)C(=O)N 2230a_100000733705_100012180447 [1,1,0,0,0,0|2,0,0]=4 584 B10R0.53 CCC(NC(C)CO)C(=O)N 34a_100000733705_100012180447 [1,1,0,0,0,0|2,0,0]=4 585 B10R0.53 CCC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000750255 [1,1,0,0,0,0|2,0,0]=4 586 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [1,1,0,0,0,0|2,0,0]=4 587 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [1,1,0,0,0,0|2,0,0]=4 588 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [1,1,0,0,0,0|2,0,0]=4 589 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [1,1,0,0,0,0|2,0,0]=4 590 B10R0.53 CCC(SC(C)CO)C(=O)N 62a_100012180447_100000750255 [1,1,0,0,0,0|2,0,0]=4 591 B10R0.53 CCC(SC(C)OC)C(=O)N 62a_100000750255_100009879195 [1,1,0,0,0,0|2,0,0]=4 592 B10R0.53 CCC(SC(C)OC)C(=O)N 62a_100009879195_100000750255 [1,1,0,0,0,0|2,0,0]=4 593 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100000750255_100016084084 [1,1,0,0,0,0|2,0,0]=4 594 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000750255 [1,1,0,0,0,0|2,0,0]=4 595 B10R0.53 CC[C@@H](NC(C)C#N)C(=O)O 269956a_100000747097_100000184139 [1,1,0,0,0,0|2,0,0]=4 596 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [1,1,0,0,0,0|1,0,0]=3 597 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [1,1,0,0,0,0|1,0,0]=3 598 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [1,1,0,0,0,0|2,0,0]=4 599 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [1,1,0,0,0,0|2,0,0]=4 600 B10R0.76 CCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000750255 [1,1,0,0,0,0|1,0,1]=4 601 B10R0.76 CCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000750255 [1,1,0,0,0,0|1,0,1]=4 602 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [1,1,0,0,0,0|2,0,0]=4 603 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [1,1,0,0,0,0|2,0,0]=4 604 B10R0.95 CCN(CC(C)(C)O)C(=O)C 11a_100000755687_100015343762 [1,1,0,0,0,0|2,0,0]=4 605 B10R0.95 CCN(CC(C)(C)O)C(=O)C 1626a_100000755687_100015343762 [1,1,0,0,0,0|2,0,0]=4 606 B10R0.95 CCN(CC(C)(C)O)C(=O)C 527a_100000755687_100103153847 [1,1,0,0,0,0|2,0,0]=4 607 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [1,1,0,0,0,0|2,0,0]=4 608 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [1,1,0,0,0,0|2,0,0]=4 609 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [1,1,0,0,0,0|2,0,0]=4 610 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [1,1,0,0,0,0|2,0,0]=4 611 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [1,1,0,0,0,0|2,0,0]=4 612 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [1,1,0,0,0,0|2,0,0]=4 613 B10R0.17 C#CCNC(C(=O)O)C(C)O 269956a_100000185852_100000184674 [0,1,0,0,1,0|0,0,2]=4 614 B10R0.17 C=CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210623 [0,1,0,0,1,0|0,0,2]=4 615 B10R0.17 CC(C)[C@@H](NCCF)C(=O)O 269956a_100000745019_100011217306 [0,1,0,0,1,0|2,0,0]=4 616 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [0,1,0,0,1,0|2,0,0]=4 617 B10R0.17 CC(O)C(NCC#N)C(=O)O 269956a_100000185852_100011215382 [0,1,0,0,1,0|1,0,1]=4 618 B10R0.17 CC(O)C(NCC=O)C(=O)O 269956a_100000185852_200015260668 [0,1,0,0,1,0|1,0,1]=4 619 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [0,1,0,0,1,0|1,0,0]=3 620 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [0,1,0,0,1,0|1,0,0]=3 621 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [0,1,0,0,1,0|0,0,0]=2 622 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [0,1,0,0,1,0|1,0,0]=3 623 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [0,1,0,0,1,0|1,0,0]=3 624 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [0,1,0,0,1,0|2,0,0]=4 625 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [0,1,0,0,1,0|2,0,0]=4 626 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [0,1,0,0,1,0|2,0,0]=4 627 B10R0.17 COCNC(C(=O)O)C(C)O 269956a_100000185852_100000766300 [0,1,0,0,1,0|1,0,0]=3 628 B10R0.17 COCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000766300 [0,1,0,0,1,0|2,0,0]=4 629 B10R0.17 COCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000766300 [0,1,0,0,1,0|2,0,0]=4 630 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [0,1,0,0,1,0|1,0,0]=3 631 B10R0.17 CSCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218213 [0,1,0,0,1,0|2,0,0]=4 632 B10R0.17 CSCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011218213 [0,1,0,0,1,0|2,0,0]=4 633 B10R0.17 C[C@@H](O)[C@H](NCCF)C(=O)N 2230a_100000003557_100011217306 [0,1,0,0,1,0|2,0,0]=4 634 B10R0.17 C[C@@H](O)[C@H](NCCO)C(=O)N 2230a_100000003557_100000211926 [0,1,0,0,1,0|2,0,0]=4 635 B10R0.69 CC(C)(O)[C@@H](NCF)C(=O)O 269956a_100015421311_100015361967 [0,1,0,0,1,0|2,0,0]=4 636 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000210202 [0,1,0,0,1,0|2,0,0]=4 637 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210202 [0,1,0,0,1,0|1,0,0]=3 638 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [0,1,0,0,1,0|2,0,0]=4 639 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [0,1,0,0,1,0|2,0,0]=4 640 B10R0.118 CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000210202 [0,1,0,0,1,0|2,0,0]=4 641 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 11a_100000751966_100015343762 [0,1,0,0,0,1|2,0,0]=4 642 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 1626a_100000751966_100015343762 [0,1,0,0,0,1|2,0,0]=4 643 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 240690a_100000751966_100015343762 [0,1,0,0,0,1|2,0,0]=4 644 B12R0.41 CC(=O)NC(CC(C)C)CC(C)C 527a_100000751966_100103153847 [0,1,0,0,0,1|2,0,0]=4 645 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 2230a_100011218400_100000747473 [0,1,0,0,0,1|2,0,0]=4 646 B12R0.41 CC(O)CN(CC(=O)N)CC(C)O 269982a_100011218400_100000187820 [0,1,0,0,0,1|2,0,0]=4 647 B12R0.41 CC(O)CN(CC(=O)[O-])CC(C)O 269982a_100011218400_100020667443 [0,1,0,0,0,1|1,0,1]=4 648 B12R0.53 CC(C(=O)O)N(CCO)C[C@@H](C)O 269956a_100011300695_100009817552 [0,1,0,0,0,1|2,0,0]=4 649 B12R0.53 CC(O)CN(CCO)C(C)C(=O)O 269956a_100011300695_100011218427 [0,1,0,0,0,1|2,0,0]=4 650 B12R0.180 CC[C@H](C)[C@@H](CC(=O)O)NC(C)C 269956a_100020625877_100000210206 [0,1,0,0,0,1|2,0,0]=4 651 B12R0.242 CC(O)CN(CCC#N)CC(=O)O 269956a_100011218032_100011218427 [0,1,0,0,0,1|1,0,1]=4 652 B12R0.242 C[C@@H](O)CN(CCC#N)CC(=O)O 269956a_100011218032_100009817552 [0,1,0,0,0,1|1,0,1]=4 653 B12R0.398 CC(C)(O)CN(CCO)CC(=O)O 269956a_100000747938_100000764493 [0,1,0,0,0,1|2,0,0]=4 654 B12R0.399 CC(C)C[C@@H](CCO)NC(=O)CO 240690a_100161151251_100000210174 [0,1,0,0,0,1|2,0,0]=4 655 B12R0.399 CC(C)C[C@@H](CCO)NC(=O)CO 527a_100161151251_100000210174 [0,1,0,0,0,1|2,0,0]=4 656 B12R0.399 CCC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218378 [0,1,0,0,0,1|2,0,0]=4 657 B12R0.399 CCCC(CC(=O)OC)OC(C)C 7a_100000065524_100000210206 [0,1,0,0,0,1|2,0,0]=4 658 B12R0.399 CCCN(CC(=O)N)CC(O)CO 2230a_200000156893_100000747473 [0,1,0,0,0,1|2,0,0]=4 659 B12R0.399 CCCN(CC(=O)N)CC(O)CO 269982a_200000156893_100000187820 [0,1,0,0,0,1|2,0,0]=4 660 B12R0.399 CCCN(CC(=O)[O-])CC(O)CO 269982a_200000156893_100020667443 [0,1,0,0,0,1|1,0,1]=4 661 B12R0.399 COC(=O)CN(CCO)CC(C)O 2230a_100000731851_100000747449 [0,1,0,0,0,1|2,0,0]=4 662 B12R0.399 COC(=O)CN(CCO)CC(C)O 269982a_100000731851_100000747449 [0,1,0,0,0,1|2,0,0]=4 663 B12R0.399 C[C@@H](CO)CN(CCO)CC(=O)O 269956a_100000747938_100000059175 [0,1,0,0,0,1|2,0,0]=4 664 B12R0.399 O=C(O)CN(CCO)CC(O)CO 269956a_100000747938_100011219619 [0,1,0,0,0,1|2,0,0]=4 665 B12R0.399 O=C(O)CN(CCO)C[C@@H](O)CF 269956a_100000747938_100015614560 [0,1,0,0,0,1|2,0,0]=4 666 B12R0.399 O=C(O)CN(CCO)C[C@@H](O)CO 269956a_100000747938_100009815848 [0,1,0,0,0,1|2,0,0]=4 667 B12R0.51 C=C(C)COC(CCC)C(=O)OC 34a_100000210245_200009843822 [0,1,0,0,0,1|1,0,1]=4 668 B12R0.51 C=C(C)CSC(CCC)C(=O)OC 62a_100000748629_200009843822 [0,1,0,0,0,1|1,0,1]=4 669 B12R0.51 C=C(C)CSC(CCC)C(=O)OC 62a_200009843822_100000211660 [0,1,0,0,0,1|1,0,1]=4 670 B12R0.51 CCCC(NCC(C)C)C(=O)NC 2230a_106256046333_100000210760 [0,1,0,0,0,1|2,0,0]=4 671 B12R0.51 CCCC(NCC(C)C)C(=O)NC 270004a_106256046333_100000210432 [0,1,0,0,0,1|2,0,0]=4 672 B12R0.51 CCCC(NCC(C)C)C(=O)NC 34a_106256046333_100000210624 [0,1,0,0,0,1|2,0,0]=4 673 B12R0.51 CCCC(NCC(C)C)C(=O)OC 2230a_100000210953_200009843822 [0,1,0,0,0,1|1,0,0]=3 674 B12R0.51 CCCC(NCC(C)C)C(=O)OC 34a_100000210953_200009843822 [0,1,0,0,0,1|1,0,0]=3 675 B12R0.51 CCCC(NCC(C)O)C(=O)NC 2230a_106256046333_100011218427 [0,1,0,0,0,1|1,0,0]=3 676 B12R0.51 CCCC(NCC(C)O)C(=O)NC 34a_106256046333_100011218427 [0,1,0,0,0,1|1,0,0]=3 677 B12R0.51 CCCC(NCC(C)O)C(=O)OC 2230a_100000210904_200009843822 [0,1,0,0,0,1|0,0,0]=2 678 B12R0.51 CCCC(NCC(C)O)C(=O)OC 34a_100000210904_200009843822 [0,1,0,0,0,1|0,0,0]=2 679 B12R0.51 CCCC(NCC(F)F)C(=O)OC 34a_100000765723_200009843822 [0,1,0,0,0,1|2,0,0]=4 680 B12R0.51 CCCC(NC[C@@H](C)O)C(=O)NC 2230a_106256046333_100009817552 [0,1,0,0,0,1|1,0,0]=3 681 B12R0.51 CCCC(NC[C@@H](C)O)C(=O)NC 34a_106256046333_100009817552 [0,1,0,0,0,1|1,0,0]=3 682 B12R0.51 CCCC(OCC(=O)C)C(=O)OC 34a_100000211253_200009843822 [0,1,0,0,0,1|0,0,2]=4 683 B12R0.51 CCCC(OCC(C)Br)C(=O)OC 34a_100012180447_200009843822 [0,1,0,0,0,1|1,0,0]=3 684 B12R0.51 CCCC(OCC(C)C)C(=O)OC 34a_100000210257_200009843822 [0,1,0,0,0,1|1,0,0]=3 685 B12R0.51 CCCC(OCC(C)F)C(=O)OC 34a_100015925927_200009843822 [0,1,0,0,0,1|1,0,0]=3 686 B12R0.51 CCCC(OCC(F)F)C(=O)OC 34a_100000743014_200009843822 [0,1,0,0,0,1|2,0,0]=4 687 B12R0.51 CCCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_200009843822 [0,1,0,0,0,1|1,0,0]=3 688 B12R0.51 CCCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_200009843822 [0,1,0,0,0,1|1,0,0]=3 689 B12R0.51 CCCC(SCC(C)C)C(=O)OC 62a_100000210624_200009843822 [0,1,0,0,0,1|1,0,0]=3 690 B12R0.51 CCCC(SCC(C)C)C(=O)OC 62a_200009843822_100000210760 [0,1,0,0,0,1|1,0,0]=3 691 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_100011218427_200009843822 [0,1,0,0,0,1|0,0,0]=2 692 B12R0.51 CCCC(SCC(C)O)C(=O)OC 62a_200009843822_100011218427 [0,1,0,0,0,1|0,0,0]=2 693 B12R0.51 CCCC(SCC(F)F)C(=O)OC 62a_100011934356_200009843822 [0,1,0,0,0,1|2,0,0]=4 694 B12R0.51 CCCC(SCC(F)F)C(=O)OC 62a_200009843822_100011934356 [0,1,0,0,0,1|2,0,0]=4 695 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_200009843822 [0,1,0,0,0,1|0,0,0]=2 696 B12R0.51 CCCC(SC[C@@H](C)O)C(=O)OC 62a_200009843822_100009817552 [0,1,0,0,0,1|0,0,0]=2 697 B12R0.51 COCC(NCC(C)C)C(=O)OC 34a_100000210953_100000717350 [0,1,0,0,0,1|2,0,0]=4 698 B12R0.51 COCC(NCC(C)O)C(=O)OC 34a_100000210904_100000717350 [0,1,0,0,0,1|1,0,0]=3 699 B12R0.51 COCC(OCC(C)Br)C(=O)OC 34a_100012180447_100000717350 [0,1,0,0,0,1|2,0,0]=4 700 B12R0.51 COCC(OCC(C)C)C(=O)OC 34a_100000210257_100000717350 [0,1,0,0,0,1|2,0,0]=4 701 B12R0.51 COCC(OCC(C)F)C(=O)OC 34a_100015925927_100000717350 [0,1,0,0,0,1|2,0,0]=4 702 B12R0.51 COCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_100000717350 [0,1,0,0,0,1|2,0,0]=4 703 B12R0.51 COCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_100000717350 [0,1,0,0,0,1|2,0,0]=4 704 B12R0.51 COCC(SCC(C)C)C(=O)OC 62a_100000210624_100000717350 [0,1,0,0,0,1|2,0,0]=4 705 B12R0.51 COCC(SCC(C)C)C(=O)OC 62a_100000717350_100000210760 [0,1,0,0,0,1|2,0,0]=4 706 B12R0.51 COCC(SCC(C)O)C(=O)OC 62a_100000717350_100011218427 [0,1,0,0,0,1|1,0,0]=3 707 B12R0.51 COCC(SCC(C)O)C(=O)OC 62a_100011218427_100000717350 [0,1,0,0,0,1|1,0,0]=3 708 B12R0.51 COCC(SC[C@@H](C)O)C(=O)OC 62a_100000717350_100009817552 [0,1,0,0,0,1|1,0,0]=3 709 B12R0.51 COCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_100000717350 [0,1,0,0,0,1|1,0,0]=3 710 B12R0.55 C=C(C)CN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000748629 [0,1,0,0,0,1|1,0,1]=4 711 B12R0.55 C=C(C)CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000748629 [0,1,0,0,0,1|1,0,1]=4 712 B12R0.55 CCCCC(NCC(C)C)C(=O)N 2230a_100000210953_100000748834 [0,1,0,0,0,1|2,0,0]=4 713 B12R0.55 CCCCC(NCC(C)C)C(=O)N 34a_100000210953_100000748834 [0,1,0,0,0,1|2,0,0]=4 714 B12R0.55 CCCCC(NCC(C)O)C(=O)N 2230a_100000210904_100000748834 [0,1,0,0,0,1|1,0,0]=3 715 B12R0.55 CCCCC(NCC(C)O)C(=O)N 34a_100000210904_100000748834 [0,1,0,0,0,1|1,0,0]=3 716 B12R0.55 CCCCC(OCC(C)Br)C(=O)N 34a_100012180447_100000748834 [0,1,0,0,0,1|2,0,0]=4 717 B12R0.55 CCCCC(OCC(C)C)C(=O)N 34a_100000210257_100000748834 [0,1,0,0,0,1|2,0,0]=4 718 B12R0.55 CCCCC(OCC(C)F)C(=O)N 34a_100015925927_100000748834 [0,1,0,0,0,1|2,0,0]=4 719 B12R0.55 CCCCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000748834 [0,1,0,0,0,1|2,0,0]=4 720 B12R0.55 CCCCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000748834 [0,1,0,0,0,1|2,0,0]=4 721 B12R0.55 CCCCC(SCC(C)C)C(=O)N 62a_100000210624_100000748834 [0,1,0,0,0,1|2,0,0]=4 722 B12R0.55 CCCCC(SCC(C)C)C(=O)N 62a_100000748834_100000210760 [0,1,0,0,0,1|2,0,0]=4 723 B12R0.55 CCCCC(SCC(C)O)C(=O)N 62a_100000748834_100011218427 [0,1,0,0,0,1|1,0,0]=3 724 B12R0.55 CCCCC(SCC(C)O)C(=O)N 62a_100011218427_100000748834 [0,1,0,0,0,1|1,0,0]=3 725 B12R0.55 CCCCC(SC[C@@H](C)O)C(=O)N 62a_100000748834_100009817552 [0,1,0,0,0,1|1,0,0]=3 726 B12R0.55 CCCCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000748834 [0,1,0,0,0,1|1,0,0]=3 727 B12R0.55 CCCC[C@H](NCC(C)C)C(=O)N 2230a_100000124899_100000210760 [0,1,0,0,0,1|2,0,0]=4 728 B12R0.55 CCCC[C@H](NCC(C)C)C(=O)N 34a_100000124899_100000210624 [0,1,0,0,0,1|2,0,0]=4 729 B12R0.55 CCCC[C@H](NCC(C)O)C(=O)N 2230a_100000124899_100011218427 [0,1,0,0,0,1|1,0,0]=3 730 B12R0.55 CCCC[C@H](NCC(C)O)C(=O)N 34a_100000124899_100011218427 [0,1,0,0,0,1|1,0,0]=3 731 B12R0.55 CCCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000124899_100009817552 [0,1,0,0,0,1|1,0,0]=3 732 B12R0.55 CCCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000124899_100009817552 [0,1,0,0,0,1|1,0,0]=3 733 B12R0.55 CCCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210207 [0,1,0,0,0,1|1,0,1]=4 734 B12R0.55 CCCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210207 [0,1,0,0,0,1|2,0,0]=4 735 B12R0.55 CCCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210207 [0,1,0,0,0,1|1,0,1]=4 736 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 2230a_100000119342_100000210760 [0,1,0,0,0,1|2,0,0]=4 737 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 270004a_100000119342_100000210432 [0,1,0,0,0,1|2,0,0]=4 738 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)N 34a_100000119342_100000210624 [0,1,0,0,0,1|2,0,0]=4 739 B12R0.55 CSCC[C@H](NCC(C)C)C(=O)O 269956a_100000743919_100000210760 [0,1,0,0,0,1|1,0,0]=3 740 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 2230a_100000119342_100011218427 [0,1,0,0,0,1|1,0,0]=3 741 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)N 34a_100000119342_100011218427 [0,1,0,0,0,1|1,0,0]=3 742 B12R0.55 CSCC[C@H](NCC(C)O)C(=O)O 269956a_100000743919_100011218427 [0,1,0,0,0,1|0,0,0]=2 743 B12R0.55 CSCC[C@H](NCC(F)F)C(=O)O 269956a_100000743919_100011934356 [0,1,0,0,0,1|2,0,0]=4 744 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000119342_100009817552 [0,1,0,0,0,1|1,0,0]=3 745 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000119342_100009817552 [0,1,0,0,0,1|1,0,0]=3 746 B12R0.55 CSCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743919_100009817552 [0,1,0,0,0,1|0,0,0]=2 747 B12R0.55 C[Se]CC[C@H](NCC(C)C)C(=O)O 269956a_100020619752_100000210760 [0,1,0,0,0,1|1,0,0]=3 748 B12R0.55 C[Se]CC[C@H](NCC(C)O)C(=O)O 269956a_100020619752_100011218427 [0,1,0,0,0,1|0,0,0]=2 749 B12R0.55 C[Se]CC[C@H](NCC(F)F)C(=O)O 269956a_100020619752_100011934356 [0,1,0,0,0,1|2,0,0]=4 750 B12R0.55 C[Se]CC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100020619752_100009817552 [0,1,0,0,0,1|0,0,0]=2 751 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210760 [0,1,0,0,0,1|2,0,0]=4 752 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 270004a_100016989234_100000210432 [0,1,0,0,0,1|2,0,0]=4 753 B12R0.138 CC(C)CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210624 [0,1,0,0,0,1|2,0,0]=4 754 B12R0.138 CC(C)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210760 [0,1,0,0,0,1|2,0,0]=4 755 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 2230a_100016989234_100011218427 [0,1,0,0,0,1|1,0,0]=3 756 B12R0.138 CC(C)C[C@H](NCC(C)O)C(=O)N 34a_100016989234_100011218427 [0,1,0,0,0,1|1,0,0]=3 757 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 2230a_100016989234_100009817552 [0,1,0,0,0,1|1,0,0]=3 758 B12R0.138 CC(C)C[C@H](NC[C@@H](C)O)C(=O)N 34a_100016989234_100009817552 [0,1,0,0,0,1|1,0,0]=3 759 B12R0.138 CC(O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218427 [0,1,0,0,0,1|1,0,0]=3 760 B12R0.138 C[C@@H](O)CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009817552 [0,1,0,0,0,1|1,0,0]=3 761 B12R0.350 C=C(C)CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000748629 [0,1,0,0,0,1|1,0,1]=4 762 B12R0.350 CC[C@H](C)[C@@H](NCC(C)C)C(=O)O 269956a_100009815163_100000210760 [0,1,0,0,0,1|1,0,0]=3 763 B12R0.350 CC[C@H](C)[C@@H](NCC(C)O)C(=O)O 269956a_100009815163_100011218427 [0,1,0,0,0,1|0,0,0]=2 764 B12R0.350 CC[C@H](C)[C@@H](NCC(F)F)C(=O)O 269956a_100009815163_100011934356 [0,1,0,0,0,1|2,0,0]=4 765 B12R0.350 CC[C@H](C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100009815163_100009817552 [0,1,0,0,0,1|0,0,0]=2 766 B12R0.350 CC[C@H](C)[C@H](NCC(C)C)C(=O)N 2230a_100000758034_100000210760 [0,1,0,0,0,1|2,0,0]=4 767 B12R0.350 CC[C@H](C)[C@H](NCC(C)C)C(=O)N 270004a_100000758034_100000210432 [0,1,0,0,0,1|2,0,0]=4 768 B12R0.350 CC[C@H](C)[C@H](NCC(C)O)C(=O)N 2230a_100000758034_100011218427 [0,1,0,0,0,1|1,0,0]=3 769 B12R0.350 CC[C@H](C)[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000758034_100009817552 [0,1,0,0,0,1|1,0,0]=3 770 B12R0.350 CO[C@H](C)[C@H](NCC(C)C)C(=O)O 269956a_100015335849_100000210760 [0,1,0,0,0,1|2,0,0]=4 771 B12R0.350 CO[C@H](C)[C@H](NCC(C)O)C(=O)O 269956a_100015335849_100011218427 [0,1,0,0,0,1|1,0,0]=3 772 B12R0.350 CO[C@H](C)[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015335849_100009817552 [0,1,0,0,0,1|1,0,0]=3 773 B12R0.400 CCC[C@H](NC(=O)[C@@H](C)O)C(=O)N 240690a_100000729256_100000717761 [0,1,0,0,0,1|1,0,1]=4 774 B12R0.400 CCC[C@H](NC(=O)[C@H](C)O)C(=O)N 1626a_100000729256_217856618621 [0,1,0,0,0,1|1,0,1]=4 775 B12R0.400 CCC[C@H](NC(=O)[C@H](C)O)C(=O)N 240690a_100000729256_217856618621 [0,1,0,0,0,1|1,0,1]=4 776 B12R0.400 CCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000750406_100009814033 [0,1,0,0,0,1|0,0,2]=4 777 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000730141 [0,1,0,0,0,1|1,0,1]=4 778 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000730141 [0,1,0,0,0,1|1,0,1]=4 779 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730141 [0,1,0,0,0,1|0,0,1]=3 780 B12R0.403 C=CC(O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000730141 [0,1,0,0,0,1|1,0,1]=4 781 B12R0.403 C=CC(O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000730141 [0,1,0,0,0,1|1,0,1]=4 782 B12R0.403 C=CC(O)CN[C@H](COC)C(=O)O 269956a_100011998655_100000730141 [0,1,0,0,0,1|1,0,1]=4 783 B12R0.403 C=CC(O)COC(CCC)C(=O)N 34a_100011626294_100000730141 [0,1,0,0,0,1|1,0,1]=4 784 B12R0.403 C=CC(O)COC(CCC)C(=O)N 7a_100011626294_100000730141 [0,1,0,0,0,1|1,0,1]=4 785 B12R0.403 CCC(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748023 [0,1,0,0,0,1|2,0,0]=4 786 B12R0.403 CCC(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748023 [0,1,0,0,0,1|2,0,0]=4 787 B12R0.403 CCC(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748023 [0,1,0,0,0,1|2,0,0]=4 788 B12R0.403 CCC(O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218378 [0,1,0,0,0,1|1,0,0]=3 789 B12R0.403 CCC(O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218378 [0,1,0,0,0,1|1,0,0]=3 790 B12R0.403 CCC(O)CN[C@H](COC)C(=O)O 269956a_100011998655_100011218378 [0,1,0,0,0,1|1,0,0]=3 791 B12R0.403 CCCC(OCC(C)CC)C(=O)N 34a_100011626294_100000748023 [0,1,0,0,0,1|2,0,0]=4 792 B12R0.403 CCCC(OCC(C)CC)C(=O)N 7a_100011626294_100000748023 [0,1,0,0,0,1|2,0,0]=4 793 B12R0.403 CCCC(OCC(O)CC)C(=O)N 34a_100011626294_100011218378 [0,1,0,0,0,1|1,0,0]=3 794 B12R0.403 CCCC(OCC(O)CC)C(=O)N 7a_100011626294_100011218378 [0,1,0,0,0,1|1,0,0]=3 795 B12R0.403 CCCC(OCC(O)CO)C(=O)N 34a_100011626294_100011219619 [0,1,0,0,0,1|1,0,0]=3 796 B12R0.403 CCCC(OCC(O)CO)C(=O)N 7a_100011626294_100011219619 [0,1,0,0,0,1|1,0,0]=3 797 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 34a_100011626294_100009816398 [0,1,0,0,0,1|2,0,0]=4 798 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 7a_100011626294_100009816398 [0,1,0,0,0,1|2,0,0]=4 799 B12R0.403 CCCC(OC[C@@H](C)CO)C(=O)N 34a_100011626294_100000059175 [0,1,0,0,0,1|1,0,0]=3 800 B12R0.403 CCCC(OC[C@@H](C)CO)C(=O)N 7a_100011626294_100000059175 [0,1,0,0,0,1|1,0,0]=3 801 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 34a_100011626294_100015614560 [0,1,0,0,0,1|1,0,0]=3 802 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 7a_100011626294_100015614560 [0,1,0,0,0,1|1,0,0]=3 803 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 34a_100011626294_100009815848 [0,1,0,0,0,1|1,0,0]=3 804 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 7a_100011626294_100009815848 [0,1,0,0,0,1|1,0,0]=3 805 B12R0.403 CCC[C@H](NCC(=O)CC)C(=O)O 269956a_100000750406_100000747405 [0,1,0,0,0,1|0,0,2]=4 806 B12R0.403 CCC[C@H](NCC(=O)NC)C(=O)O 269956a_100000750406_100000183359 [0,1,0,0,0,1|0,0,2]=4 807 B12R0.403 CCC[C@H](NCC(=O)OC)C(=O)O 269956a_100000750406_100000747449 [0,1,0,0,0,1|0,0,2]=4 808 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 2230a_100000729256_100000748023 [0,1,0,0,0,1|2,0,0]=4 809 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 34a_100000729256_100000748023 [0,1,0,0,0,1|2,0,0]=4 810 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)O 269956a_100000750406_100000748023 [0,1,0,0,0,1|1,0,0]=3 811 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 2230a_100000729256_100011218378 [0,1,0,0,0,1|1,0,0]=3 812 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 34a_100000729256_100011218378 [0,1,0,0,0,1|1,0,0]=3 813 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)O 269956a_100000750406_100011218378 [0,1,0,0,0,1|0,0,0]=2 814 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 2230a_100000729256_100011219619 [0,1,0,0,0,1|1,0,0]=3 815 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 34a_100000729256_100011219619 [0,1,0,0,0,1|1,0,0]=3 816 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)O 269956a_100000750406_100011219619 [0,1,0,0,0,1|0,0,0]=2 817 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 2230a_100000729256_100009816398 [0,1,0,0,0,1|2,0,0]=4 818 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 34a_100000729256_100009816398 [0,1,0,0,0,1|2,0,0]=4 819 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100000750406_100009816398 [0,1,0,0,0,1|1,0,0]=3 820 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)N 2230a_100000729256_100000059175 [0,1,0,0,0,1|1,0,0]=3 821 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)N 34a_100000729256_100000059175 [0,1,0,0,0,1|1,0,0]=3 822 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100000750406_100000059175 [0,1,0,0,0,1|0,0,0]=2 823 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 2230a_100000729256_100015614560 [0,1,0,0,0,1|1,0,0]=3 824 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 34a_100000729256_100015614560 [0,1,0,0,0,1|1,0,0]=3 825 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000750406_100015614560 [0,1,0,0,0,1|0,0,0]=2 826 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 2230a_100000729256_100009815848 [0,1,0,0,0,1|1,0,0]=3 827 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 34a_100000729256_100009815848 [0,1,0,0,0,1|1,0,0]=3 828 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000750406_100009815848 [0,1,0,0,0,1|0,0,0]=2 829 B12R0.403 CC[C@H](C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100009816398 [0,1,0,0,0,1|2,0,0]=4 830 B12R0.403 CC[C@H](C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009816398 [0,1,0,0,0,1|2,0,0]=4 831 B12R0.403 CC[C@H](C)CN[C@H](COC)C(=O)O 269956a_100011998655_100009816398 [0,1,0,0,0,1|2,0,0]=4 832 B12R0.403 COC[C@@H](NCC(O)CO)C(=O)O 269956a_100011998655_100011219619 [0,1,0,0,0,1|1,0,0]=3 833 B12R0.403 COC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100011998655_100000059175 [0,1,0,0,0,1|1,0,0]=3 834 B12R0.403 COC[C@@H](NC[C@@H](O)CF)C(=O)O 269956a_100011998655_100015614560 [0,1,0,0,0,1|1,0,0]=3 835 B12R0.403 COC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100011998655_100009815848 [0,1,0,0,0,1|1,0,0]=3 836 B12R0.403 CSC[C@H](NCC(O)CO)C(=O)O 269956a_100011421858_100011219619 [0,1,0,0,0,1|1,0,0]=3 837 B12R0.403 CSC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100011421858_100000059175 [0,1,0,0,0,1|1,0,0]=3 838 B12R0.403 CSC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100011421858_100015614560 [0,1,0,0,0,1|1,0,0]=3 839 B12R0.403 CSC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100011421858_100009815848 [0,1,0,0,0,1|1,0,0]=3 840 B12R0.403 C[Se]C[C@H](NCC(O)CO)C(=O)O 269956a_100015254316_100011219619 [0,1,0,0,0,1|1,0,0]=3 841 B12R0.403 C[Se]C[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100015254316_100000059175 [0,1,0,0,0,1|1,0,0]=3 842 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100015254316_100015614560 [0,1,0,0,0,1|1,0,0]=3 843 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100015254316_100009815848 [0,1,0,0,0,1|1,0,0]=3 844 B12R0.550 CCCC(OCC(C)(C)C)C(=O)N 34a_100011626294_100011219605 [0,1,0,0,0,1|2,0,0]=4 845 B12R0.550 CCCC(OCC(C)(C)F)C(=O)N 34a_100011626294_100011997219 [0,1,0,0,0,1|2,0,0]=4 846 B12R0.550 CCCC(OCC(C)(C)O)C(=O)N 34a_100011626294_100000764493 [0,1,0,0,0,1|1,0,0]=3 847 B12R0.550 CCCC(OCC(C)(C)O)C(=O)N 7a_100011626294_100000764493 [0,1,0,0,0,1|1,0,0]=3 848 B12R0.550 CCC[C@H](NCC(C)(C)C)C(=O)N 34a_100000729256_100011219605 [0,1,0,0,0,1|2,0,0]=4 849 B12R0.550 CCC[C@H](NCC(C)(C)C)C(=O)O 269956a_100000750406_100011219605 [0,1,0,0,0,1|1,0,0]=3 850 B12R0.550 CCC[C@H](NCC(C)(C)F)C(=O)N 34a_100000729256_100011997219 [0,1,0,0,0,1|2,0,0]=4 851 B12R0.550 CCC[C@H](NCC(C)(C)F)C(=O)O 269956a_100000750406_100011997219 [0,1,0,0,0,1|1,0,0]=3 852 B12R0.550 CCC[C@H](NCC(C)(C)O)C(=O)N 34a_100000729256_100000764493 [0,1,0,0,0,1|1,0,0]=3 853 B12R0.550 CCC[C@H](NCC(C)(C)O)C(=O)O 269956a_100000750406_100000764493 [0,1,0,0,0,1|0,0,0]=2 854 B12R0.550 CCC[C@H](NCC(F)(F)F)C(=O)O 269956a_100000750406_100000763148 [0,1,0,0,0,1|2,0,0]=4 855 B12R0.550 CCC[C@H](NC[N+](C)(C)C)C(=O)O 269956a_100000750406_200000036245 [0,1,0,0,0,1|2,0,0]=4 856 B12R0.550 CCC[C@H](NC[Si](C)(C)C)C(=O)O 269956a_100000750406_100000037933 [0,1,0,0,0,1|1,1,0]=4 857 B12R0.550 CCN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_100000210202 [0,1,0,0,0,1|2,0,0]=4 858 B12R0.550 CCN[C@@H](COC(C)(C)C)C(=O)O 269956a_100000704425_100000210202 [0,1,0,0,0,1|2,0,0]=4 859 B12R0.550 CCN[C@H](CSC(C)(C)C)C(=O)O 269956a_100015207734_100000210202 [0,1,0,0,0,1|2,0,0]=4 860 B12R0.550 COC[C@@H](NCC(C)(C)C)C(=O)O 269956a_100011998655_100011219605 [0,1,0,0,0,1|2,0,0]=4 861 B12R0.550 COC[C@@H](NCC(C)(C)F)C(=O)O 269956a_100011998655_100011997219 [0,1,0,0,0,1|2,0,0]=4 862 B12R0.550 COC[C@@H](NCC(C)(C)O)C(=O)O 269956a_100011998655_100000764493 [0,1,0,0,0,1|1,0,0]=3 863 B12R0.550 CSC[C@H](NCC(C)(C)C)C(=O)O 269956a_100011421858_100011219605 [0,1,0,0,0,1|2,0,0]=4 864 B12R0.550 CSC[C@H](NCC(C)(C)F)C(=O)O 269956a_100011421858_100011997219 [0,1,0,0,0,1|2,0,0]=4 865 B12R0.550 CSC[C@H](NCC(C)(C)O)C(=O)O 269956a_100011421858_100000764493 [0,1,0,0,0,1|1,0,0]=3 866 B12R0.550 C[Se]C[C@H](NCC(C)(C)C)C(=O)O 269956a_100015254316_100011219605 [0,1,0,0,0,1|2,0,0]=4 867 B12R0.550 C[Se]C[C@H](NCC(C)(C)F)C(=O)O 269956a_100015254316_100011997219 [0,1,0,0,0,1|2,0,0]=4 868 B12R0.550 C[Se]C[C@H](NCC(C)(C)O)C(=O)O 269956a_100015254316_100000764493 [0,1,0,0,0,1|1,0,0]=3 869 B12R0.199 CC[C@H](C)[C@@H](NC(C)(C)C)C(=O)O 269956a_100009815163_100000211941 [0,2,0,0,0,0|2,0,0]=4 870 B12R0.288 CC(C)(C)CC(NCCF)C(=O)O 269956a_100000691758_100011217306 [0,2,0,0,0,0|2,0,0]=4 871 B12R0.288 CC(C)(C)CC(NCCO)C(=O)O 269956a_100000691758_100000211926 [0,2,0,0,0,0|2,0,0]=4 872 B12R0.288 CC(C)(F)C[C@H](NCCF)C(=O)O 269956a_100016039316_100011217306 [0,2,0,0,0,0|2,0,0]=4 873 B12R0.288 CC(C)(F)C[C@H](NCCO)C(=O)O 269956a_100016039316_100000211926 [0,2,0,0,0,0|2,0,0]=4 874 B12R0.288 CCCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210207 [0,2,0,0,0,0|1,0,0]=3 875 B12R0.288 CCCNC(CC(F)(F)F)C(=O)O 269956a_100000685204_100000210207 [0,2,0,0,0,0|2,0,0]=4 876 B12R0.288 CCCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210207 [0,2,0,0,0,0|1,0,0]=3 877 B12R0.288 COCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000766300 [0,2,0,0,0,0|2,0,0]=4 878 B12R0.288 COCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000766300 [0,2,0,0,0,0|2,0,0]=4 879 B12R0.288 CSCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000743919_100000211941 [0,2,0,0,0,0|2,0,0]=4 880 B12R0.288 CSCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100011218213 [0,2,0,0,0,0|2,0,0]=4 881 B12R0.288 CSCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100011218213 [0,2,0,0,0,0|2,0,0]=4 882 B12R0.288 C[Se]CC[C@H](NC(C)(C)C)C(=O)O 269956a_100020619752_100000211941 [0,2,0,0,0,0|2,0,0]=4 883 B12R0.372 C#CC(C)(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100000038118 [0,2,0,0,0,0|2,0,0]=4 884 B12R0.372 CCC[C@H](NC(C)(C)CC)C(=O)O 269956a_100000750406_100000032637 [0,2,0,0,0,0|2,0,0]=4 885 B12R0.372 CCC[C@H](NC(F)(F)CO)C(=O)O 269956a_100000750406_100011217949 [0,2,0,0,0,0|2,0,0]=4 886 B12R0.393 CC(C)NC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210206 [0,2,0,0,0,0|2,0,0]=4 887 B12R0.393 CC(C)N[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210206 [0,2,0,0,0,0|2,0,0]=4 888 B12R0.555 CCCC(CC(F)(F)F)C(=O)CO 1458a_100000210174_200010064508 [0,2,0,0,0,0|2,0,0]=4 889 B12R0.555 CCCC(NC(C)(C)C)C(=O)OC 2230a_100000715429_200009843822 [0,2,0,0,0,0|2,0,0]=4 890 B12R0.555 CCCC(OC(C)(C)C)C(=O)OC 34a_100015890283_200009843822 [0,2,0,0,0,0|2,0,0]=4 891 B12R0.555 CCCC(OC(C)(C)C)C(=O)OC 7a_100015890283_200009843822 [0,2,0,0,0,0|2,0,0]=4 892 B12R0.555 CCCC(SC(C)(C)C)C(=O)OC 62a_100000211941_200009843822 [0,2,0,0,0,0|2,0,0]=4 893 B12R0.555 CCCC(SC(C)(C)C)C(=O)OC 62a_200009843822_100000211941 [0,2,0,0,0,0|2,0,0]=4 894 B12R0.555 CCCN(CC(C)(C)C)C(=O)CO 240690a_107254831479_100000210174 [0,2,0,0,0,0|2,0,0]=4 895 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 2230a_100016989234_100012180447 [0,2,0,0,0,0|2,0,0]=4 896 B12R0.151 CC(C)C[C@H](NC(C)CO)C(=O)N 34a_100016989234_100012180447 [0,2,0,0,0,0|2,0,0]=4 897 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000758301 [0,2,0,0,0,0|2,0,0]=4 898 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011215416 [0,2,0,0,0,0|2,0,0]=4 899 B12R0.151 CCC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000758301 [0,2,0,0,0,0|1,0,1]=4 900 B12R0.151 COC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100009879195 [0,2,0,0,0,0|2,0,0]=4 901 B12R0.151 C[C@H](CO)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100016084084 [0,2,0,0,0,0|2,0,0]=4 902 B12R0.50 CCCC(C(=O)OC)C(=O)C(C)C 1458a_100000210198_200009843822 [0,2,0,0,0,0|1,0,1]=4 903 B12R0.50 CCCC(C(=O)OC)C(=O)C(C)F 1458a_100000062450_200009843822 [0,2,0,0,0,0|1,0,1]=4 904 B12R0.50 CCCC(C(=O)OC)C(=O)C(O)O 1458a_100000233687_200009843822 [0,2,0,0,0,0|1,0,1]=4 905 B12R0.50 CCCC(C(=O)OC)C(=O)[C@@H](C)O 1458a_100000717761_200009843822 [0,2,0,0,0,0|0,0,1]=3 906 B12R0.50 CCCC(C(=O)OC)C(=O)[C@H](C)O 1458a_217856618621_200009843822 [0,2,0,0,0,0|0,0,1]=3 907 B12R0.50 CCCC(C(=O)OC)N(C)C(C)C 269982a_200000211004_200009843822 [0,2,0,0,0,0|2,0,0]=4 908 B12R0.50 CCCN(C(=O)CO)C(C)C(C)C 240690a_200015185082_100000210174 [0,2,0,0,0,0|2,0,0]=4 909 B12R0.50 CCCN(C(=O)CO)C(C)C(C)C 527a_200015185082_100000210174 [0,2,0,0,0,0|2,0,0]=4 910 B12R0.50 COCC(C(=O)OC)C(=O)[C@@H](C)O 1458a_100000717761_100000717350 [0,2,0,0,0,0|1,0,1]=4 911 B12R0.50 COCC(C(=O)OC)C(=O)[C@H](C)O 1458a_217856618621_100000717350 [0,2,0,0,0,0|1,0,1]=4 912 B12R0.182 CCN(C)[C@@H](CC(C)C)C(=O)OC 2230a_100000734127_100000210202 [0,2,0,0,0,0|2,0,0]=4 913 B12R0.182 CCN(C)[C@@H](CC(C)C)C(=O)OC 269982a_100000734127_100000204670 [0,2,0,0,0,0|2,0,0]=4 914 B12R0.247 CCCCC(NC(C)C)C(=O)OC 2230a_100138425928_100000750740 [0,2,0,0,0,0|2,0,0]=4 915 B12R0.247 CCCCC(NC(C)C)C(=O)OC 34a_100138425928_100000750740 [0,2,0,0,0,0|2,0,0]=4 916 B12R0.247 CCCCC(OC(C)C)C(=O)OC 34a_100000212225_100000750740 [0,2,0,0,0,0|2,0,0]=4 917 B12R0.247 CCCCC(SC(C)C)C(=O)OC 62a_100000210206_100000750740 [0,2,0,0,0,0|2,0,0]=4 918 B12R0.247 CCCCC(SC(C)C)C(=O)OC 62a_100000750740_100000210206 [0,2,0,0,0,0|2,0,0]=4 919 B12R0.247 CCCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210303 [0,2,0,0,0,0|1,0,0]=3 920 B12R0.247 CCCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210303 [0,2,0,0,0,0|1,0,0]=3 921 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCF 34a_100014169393_100011217306 [0,2,0,0,0,0|2,0,0]=4 922 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCF 7a_100014169393_100011217306 [0,2,0,0,0,0|2,0,0]=4 923 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCO 34a_100014169393_100000211926 [0,2,0,0,0,0|2,0,0]=4 924 B12R0.247 COC(=O)[C@@H](CC(C)C)OCCO 7a_100014169393_100000211926 [0,2,0,0,0,0|2,0,0]=4 925 B12R0.247 COC(=O)[C@@H](CC(C)C)OCSC 34a_100014169393_100011218213 [0,2,0,0,0,0|2,0,0]=4 926 B12R0.284 CC(O)CN(CCO)C(=O)CCO 240690a_100000731851_100011216618 [0,2,0,0,0,0|2,0,0]=4 927 B12R0.284 CCCC(NC(C)C)C(=O)OCC 2230a_100138425928_100000695697 [0,2,0,0,0,0|2,0,0]=4 928 B12R0.284 CCCC(NC(C)C)C(=O)OCC 34a_100138425928_100000695697 [0,2,0,0,0,0|2,0,0]=4 929 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_100000212225_100000695697 [0,2,0,0,0,0|2,0,0]=4 930 B12R0.284 CCCC(OC(C)C)C(=O)OCC 34a_200011218214_100000210206 [0,2,0,0,0,0|2,0,0]=4 931 B12R0.284 CCCC(OC(C)C)C(=O)OCC 7a_200011218214_100000210206 [0,2,0,0,0,0|2,0,0]=4 932 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000210206_100000695697 [0,2,0,0,0,0|2,0,0]=4 933 B12R0.284 CCCC(SC(C)C)C(=O)OCC 62a_100000695697_100000210206 [0,2,0,0,0,0|2,0,0]=4 934 B12R0.284 CCNC(CC(C)C)C(=O)OCC 2230a_100015525214_100010269446 [0,2,0,0,0,0|2,0,0]=4 935 B12R0.284 CCOC(=O)C(CC(C)C)OCC 34a_100011626094_100000210202 [0,2,0,0,0,0|2,0,0]=4 936 B12R0.284 CCOC(=O)C(CC(C)C)OCC 34a_100121572206_100010269446 [0,2,0,0,0,0|2,0,0]=4 937 B12R0.284 CCOC(=O)C(CC(C)C)OCC 7a_100011626094_100000210202 [0,2,0,0,0,0|2,0,0]=4 938 B12R0.284 CCOC(=O)C(CC(C)C)SCC 62a_100000210202_100010269446 [0,2,0,0,0,0|2,0,0]=4 939 B12R0.284 CCOC(=O)C(CC(C)C)SCC 62a_100010269446_100000210202 [0,2,0,0,0,0|2,0,0]=4 940 B12R0.284 COCC(=O)N(CCO)CC(C)O 240690a_100000731851_100000210968 [0,2,0,0,0,0|2,0,0]=4 941 B12R0.284 COCC(=O)N(CCO)CC(C)O 527a_100000731851_100000210968 [0,2,0,0,0,0|2,0,0]=4 942 B12R0.407 C#CC(C)NC(CCC)C(=O)OC 2230a_100000707721_200009843822 [0,2,0,0,0,0|2,0,0]=4 943 B12R0.407 C#CC(C)NC(CCC)C(=O)OC 34a_100000707721_200009843822 [0,2,0,0,0,0|2,0,0]=4 944 B12R0.407 C#CC(C)SC(CCC)C(=O)OC 62a_200000035995_200009843822 [0,2,0,0,0,0|2,0,0]=4 945 B12R0.407 C#C[C@@H](C)OC(CCC)C(=O)OC 34a_100009815206_200009843822 [0,2,0,0,0,0|2,0,0]=4 946 B12R0.407 C#C[C@@H](C)OC(CCC)C(=O)OC 7a_100009815206_200009843822 [0,2,0,0,0,0|2,0,0]=4 947 B12R0.407 C=CC(=O)N(CCC)CC(O)CO 240690a_200000156893_200121576911 [0,2,0,0,0,0|2,0,0]=4 948 B12R0.407 C=CC(C)OC(CCC)C(=O)OC 34a_100000695699_200009843822 [0,2,0,0,0,0|2,0,0]=4 949 B12R0.407 C=CC(C)SC(CCC)C(=O)OC 62a_100011215867_200009843822 [0,2,0,0,0,0|2,0,0]=4 950 B12R0.407 CCCC(NC(C)C#N)C(=O)OC 2230a_100000737613_200009843822 [0,2,0,0,0,0|2,0,0]=4 951 B12R0.407 CCCC(NC(C)CC)C(=O)OC 2230a_100000209981_200009843822 [0,2,0,0,0,0|2,0,0]=4 952 B12R0.407 CCCC(NC(C)CO)C(=O)NC 2230a_106256046333_100012180447 [0,2,0,0,0,0|2,0,0]=4 953 B12R0.407 CCCC(NC(C)CO)C(=O)NC 34a_106256046333_100012180447 [0,2,0,0,0,0|2,0,0]=4 954 B12R0.407 CCCC(N[C@H](C)CO)C(=O)OC 2230a_100000737577_200009843822 [0,2,0,0,0,0|1,0,0]=3 955 B12R0.407 CCCC(OC(C)C#N)C(=O)OC 34a_100011218135_200009843822 [0,2,0,0,0,0|2,0,0]=4 956 B12R0.407 CCCC(OC(C)CC)C(=O)OC 7a_100000210228_200009843822 [0,2,0,0,0,0|2,0,0]=4 957 B12R0.407 CCCC(OC(C)CF)C(=O)OC 34a_100016041109_200009843822 [0,2,0,0,0,0|2,0,0]=4 958 B12R0.407 CCCC(OC(C)CF)C(=O)OC 7a_100016041109_200009843822 [0,2,0,0,0,0|2,0,0]=4 959 B12R0.407 CCCC(OC(C)CN)C(=O)OC 34a_100000210904_200009843822 [0,2,0,0,0,0|2,0,0]=4 960 B12R0.407 CCCC(SC(C)C#N)C(=O)OC 62a_100000703298_200009843822 [0,2,0,0,0,0|2,0,0]=4 961 B12R0.407 CCCC(SC(C)C#N)C(=O)OC 62a_200009843822_100000703298 [0,2,0,0,0,0|2,0,0]=4 962 B12R0.407 CCCC(SC(C)CC)C(=O)OC 62a_100000758301_200009843822 [0,2,0,0,0,0|2,0,0]=4 963 B12R0.407 CCCC(SC(C)CC)C(=O)OC 62a_200009843822_100000758301 [0,2,0,0,0,0|2,0,0]=4 964 B12R0.407 CCCC(SC(C)CO)C(=O)OC 62a_100012180447_200009843822 [0,2,0,0,0,0|1,0,0]=3 965 B12R0.407 CCCC(SC(C)OC)C(=O)OC 62a_100009879195_200009843822 [0,2,0,0,0,0|1,0,0]=3 966 B12R0.407 CCCC(SC(C)OC)C(=O)OC 62a_200009843822_100009879195 [0,2,0,0,0,0|1,0,0]=3 967 B12R0.407 CCCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_200009843822 [0,2,0,0,0,0|1,0,0]=3 968 B12R0.407 CCCC(S[C@H](C)CO)C(=O)OC 62a_200009843822_100016084084 [0,2,0,0,0,0|1,0,0]=3 969 B12R0.407 CCCN(CC(O)CO)C(=O)CC 240690a_200000156893_100000210414 [0,2,0,0,0,0|2,0,0]=4 970 B12R0.407 CCCN(CC(O)CO)C(=O)CC 527a_200000156893_100000210414 [0,2,0,0,0,0|2,0,0]=4 971 B12R0.407 CCCN(CC(O)CO)C(=O)CO 240690a_200000156893_100000210174 [0,2,0,0,0,0|1,0,0]=3 972 B12R0.407 CCCN(CC(O)CO)C(=O)CO 527a_200000156893_100000210174 [0,2,0,0,0,0|1,0,0]=3 973 B12R0.407 CCCN(CC(O)CO)C(=O)NC 2708a_100102657272_200000156893 [0,2,0,0,0,0|2,0,0]=4 974 B12R0.407 CCCN(CC(O)CO)C(=O)NC 273464a_100102657272_200000156893 [0,2,0,0,0,0|2,0,0]=4 975 B12R0.407 COCC(SC(C)CO)C(=O)OC 62a_100012180447_100000717350 [0,2,0,0,0,0|2,0,0]=4 976 B12R0.407 COCC(SC(C)OC)C(=O)OC 62a_100000717350_100009879195 [0,2,0,0,0,0|2,0,0]=4 977 B12R0.407 COCC(SC(C)OC)C(=O)OC 62a_100009879195_100000717350 [0,2,0,0,0,0|2,0,0]=4 978 B12R0.407 COCC(S[C@H](C)CO)C(=O)OC 62a_100000717350_100016084084 [0,2,0,0,0,0|2,0,0]=4 979 B12R0.407 COCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_100000717350 [0,2,0,0,0,0|2,0,0]=4 980 B12R0.187 CCC(C)C(C(=O)O)N(C)C(C)C 269956a_100000694001_100000210206 [0,2,0,0,0,0|2,0,0]=4 981 B12R0.253 CCCCC(C(=O)N)C(=O)[C@@H](C)O 1458a_100000717761_100000748834 [0,2,0,0,0,0|1,0,1]=4 982 B12R0.253 CCCCC(C(=O)N)C(=O)[C@H](C)O 1458a_217856618621_100000748834 [0,2,0,0,0,0|1,0,1]=4 983 B12R0.158 C#CC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_200000035995 [0,2,0,0,0,0|2,0,0]=4 984 B12R0.158 C=CC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100011215867 [0,2,0,0,0,0|2,0,0]=4 985 B12R0.158 CCC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000758301 [0,2,0,0,0,0|2,0,0]=4 986 B12R0.158 CC[C@H](C)[C@@H](NC(C)C#N)C(=O)O 269956a_100009815163_100000184139 [0,2,0,0,0,0|2,0,0]=4 987 B12R0.158 CC[C@H](C)[C@@H](NC(C)OC)C(=O)O 269956a_100009815163_100009879195 [0,2,0,0,0,0|1,0,0]=3 988 B12R0.158 CC[C@H](C)[C@@H](N[C@H](C)CO)C(=O)O 269956a_100009815163_100016084084 [0,2,0,0,0,0|1,0,0]=3 989 B12R0.158 CC[C@H](C)[C@H](NC(C)CO)C(=O)N 2230a_100000758034_100012180447 [0,2,0,0,0,0|2,0,0]=4 990 B12R0.158 COC(C)N[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100009879195 [0,2,0,0,0,0|2,0,0]=4 991 B12R0.158 CO[C@H](C)[C@H](N[C@H](C)CO)C(=O)O 269956a_100015335849_100016084084 [0,2,0,0,0,0|2,0,0]=4 992 B12R0.120 CC(C)C[C@H](NCCCF)C(=O)N 2230a_100016989234_100011934791 [0,2,0,0,0,0|2,0,0]=4 993 B12R0.120 CC(C)C[C@H](NCCCF)C(=O)N 34a_100016989234_100011934791 [0,2,0,0,0,0|2,0,0]=4 994 B12R0.120 CC(C)C[C@H](NCCCO)C(=O)N 2230a_100016989234_100000230001 [0,2,0,0,0,0|2,0,0]=4 995 B12R0.120 CC(C)C[C@H](NCCCO)C(=O)N 34a_100016989234_100000230001 [0,2,0,0,0,0|2,0,0]=4 996 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210211 [0,2,0,0,0,0|2,0,0]=4 997 B12R0.120 CCCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210210 [0,2,0,0,0,0|2,0,0]=4 998 B12R0.120 CCCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210211 [0,2,0,0,0,0|1,0,1]=4 999 B12R0.120 CCOCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000739092 [0,2,0,0,0,0|1,0,1]=4 1000 B12R0.120 COCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011201679 [0,2,0,0,0,0|2,0,0]=4 1001 B12R0.120 COCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011201679 [0,2,0,0,0,0|2,0,0]=4 1002 B12R0.120 COCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000233755 [0,2,0,0,0,0|1,0,1]=4 1003 B12R0.120 CS(=O)C[C@H](NCCCF)C(=O)O 269956a_100009817418_100011934791 [0,2,0,0,0,0|1,0,1]=4 1004 B12R0.120 CS(=O)C[C@H](NCCCO)C(=O)O 269956a_100009817418_100011215043 [0,2,0,0,0,0|1,0,1]=4 1005 B12R0.120 CSCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000751147 [0,2,0,0,0,0|2,0,0]=4 1006 B12R0.120 CSCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000212216 [0,2,0,0,0,0|2,0,0]=4 1007 B12R0.120 CSCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000212216 [0,2,0,0,0,0|1,0,1]=4 1008 B12R0.129 C#CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_200000035995 [0,2,0,0,0,0|2,0,0]=4 1009 B12R0.129 C#CC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000035995 [0,2,0,0,0,0|2,0,0]=4 1010 B12R0.129 C=CC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100011215867 [0,2,0,0,0,0|2,0,0]=4 1011 B12R0.129 C=CC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011215867 [0,2,0,0,0,0|2,0,0]=4 1012 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,2,0,0,0,0|2,0,0]=4 1013 B12R0.129 CCC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000758301 [0,2,0,0,0,0|2,0,0]=4 1014 B12R0.129 CCCCC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000748834 [0,2,0,0,0,0|2,0,0]=4 1015 B12R0.129 CCCCC(SC(C)CO)C(=O)N 62a_100012180447_100000748834 [0,2,0,0,0,0|2,0,0]=4 1016 B12R0.129 CCCCC(SC(C)OC)C(=O)N 62a_100000748834_100009879195 [0,2,0,0,0,0|2,0,0]=4 1017 B12R0.129 CCCCC(SC(C)OC)C(=O)N 62a_100009879195_100000748834 [0,2,0,0,0,0|2,0,0]=4 1018 B12R0.129 CCCCC(S[C@H](C)CO)C(=O)N 62a_100000748834_100016084084 [0,2,0,0,0,0|2,0,0]=4 1019 B12R0.129 CCCCC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000748834 [0,2,0,0,0,0|2,0,0]=4 1020 B12R0.129 CCCC[C@H](NC(C)CO)C(=O)N 2230a_100000124899_100012180447 [0,2,0,0,0,0|2,0,0]=4 1021 B12R0.129 CCCC[C@H](NC(C)CO)C(=O)N 34a_100000124899_100012180447 [0,2,0,0,0,0|2,0,0]=4 1022 B12R0.129 COC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100009879195 [0,2,0,0,0,0|1,0,0]=3 1023 B12R0.129 COC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100009879195 [0,2,0,0,0,0|1,0,0]=3 1024 B12R0.129 CSCC[C@H](NC(C)C#N)C(=O)O 269956a_100000743919_100000184139 [0,2,0,0,0,0|2,0,0]=4 1025 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 2230a_100000119342_100012180447 [0,2,0,0,0,0|2,0,0]=4 1026 B12R0.129 CSCC[C@H](NC(C)CO)C(=O)N 34a_100000119342_100012180447 [0,2,0,0,0,0|2,0,0]=4 1027 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000743919_100016084084 [0,2,0,0,0,0|1,0,0]=3 1028 B12R0.129 C[Se]CC[C@H](NC(C)C#N)C(=O)O 269956a_100020619752_100000184139 [0,2,0,0,0,0|2,0,0]=4 1029 B12R0.129 C[Se]CC[C@H](N[C@H](C)CO)C(=O)O 269956a_100020619752_100016084084 [0,2,0,0,0,0|1,0,0]=3 1030 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100000766640 [0,2,0,0,0,0|2,0,0]=4 1031 B12R0.19 CCCC(OC(C)CCO)C(=O)N 34a_100011626294_100009893172 [0,2,0,0,0,0|2,0,0]=4 1032 B12R0.19 CCCC(OC(C)CCO)C(=O)N 7a_100011626294_100009893172 [0,2,0,0,0,0|2,0,0]=4 1033 B12R0.19 CCCC(OC(C)COC)C(=O)N 34a_100011626294_100000765312 [0,2,0,0,0,0|2,0,0]=4 1034 B12R0.19 CCCC(OC(C)COC)C(=O)N 7a_100011626294_100000765312 [0,2,0,0,0,0|2,0,0]=4 1035 B12R0.19 CCC[C@H](NC(C)CC#N)C(=O)O 269956a_100000750406_100009813641 [0,2,0,0,0,0|2,0,0]=4 1036 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 2230a_100000729256_100009893172 [0,2,0,0,0,0|2,0,0]=4 1037 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 34a_100000729256_100009893172 [0,2,0,0,0,0|2,0,0]=4 1038 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)O 269956a_100000750406_100009893172 [0,2,0,0,0,0|1,0,0]=3 1039 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 2230a_100000729256_100000765312 [0,2,0,0,0,0|2,0,0]=4 1040 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 34a_100000729256_100000765312 [0,2,0,0,0,0|2,0,0]=4 1041 B12R0.19 CCC[C@H](NC(C)COC)C(=O)O 269956a_100000750406_100000765312 [0,2,0,0,0,0|1,0,0]=3 1042 B12R0.19 COCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000765312 [0,2,0,0,0,0|2,0,0]=4 1043 B12R0.19 COCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000765312 [0,2,0,0,0,0|2,0,0]=4 1044 B12R0.19 COCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000765312 [0,2,0,0,0,0|2,0,0]=4 1045 B12R0.19 COC[C@@H](NC(C)CCO)C(=O)O 269956a_100011998655_100009893172 [0,2,0,0,0,0|2,0,0]=4 1046 B12R0.19 CSC[C@H](NC(C)CCO)C(=O)O 269956a_100011421858_100009893172 [0,2,0,0,0,0|2,0,0]=4 1047 B12R0.19 C[Se]C[C@H](NC(C)CCO)C(=O)O 269956a_100015254316_100009893172 [0,2,0,0,0,0|2,0,0]=4 1048 B12R0.29 CCC[C@H](NC(CC)CC)C(=O)O 269956a_100000750406_100000210505 [0,2,0,0,0,0|2,0,0]=4 1049 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 34a_200000691454_200025704644 [1,0,0,1,0,0|2,0,0]=4 1050 B10R1.8 CC1CC(CC(O1)C)O[13CH3] 7a_200000691454_200025704644 [1,0,0,1,0,0|2,0,0]=4 1051 B10R1.8 CNC1CC(OC(C1)C)C 270004a_106832991635_200102525066 [1,0,0,1,0,0|2,0,0]=4 1052 B10R1.8 COC1CC(OC(C1)C)C 34a_200000691454_200000210301 [1,0,0,1,0,0|2,0,0]=4 1053 B10R1.8 COC1CC(OC(C1)C)C 7a_200000691454_200000210301 [1,0,0,1,0,0|2,0,0]=4 1054 B10R1.18 CC(O)CN1CCCOC1 2230a_100000131196_100011218427 [1,0,0,1,0,0|1,0,1]=4 1055 B10R1.18 CC(O)CN1CCCOC1 269982a_100000131196_100011218427 [1,0,0,1,0,0|1,0,1]=4 1056 B10R1.18 CC(O)CN1CCCOC1 34a_100000131196_100011218427 [1,0,0,1,0,0|1,0,1]=4 1057 B10R1.18 C[C@@H](O)CN1CCCOC1 2230a_100000131196_100009817552 [1,0,0,1,0,0|1,0,1]=4 1058 B10R1.18 C[C@@H](O)CN1CCCOC1 269982a_100000131196_100009817552 [1,0,0,1,0,0|1,0,1]=4 1059 B10R1.18 C[C@@H](O)CN1CCCOC1 34a_100000131196_100009817552 [1,0,0,1,0,0|1,0,1]=4 1060 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 2230a_100000707816_100000210202 [1,0,0,1,0,0|1,0,1]=4 1061 B10R1.32 CCN1C[C@@H](C[C@H]1CO)O 269982a_100000707816_100000204670 [1,0,0,1,0,0|1,0,1]=4 1062 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [1,0,0,1,0,0|2,0,0]=4 1063 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [1,0,0,1,0,0|2,0,0]=4 1064 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [1,0,0,1,0,0|2,0,0]=4 1065 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [1,0,0,1,0,0|2,0,0]=4 1066 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [1,0,0,1,0,0|2,0,0]=4 1067 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [1,0,0,1,0,0|2,0,0]=4 1068 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [1,0,0,1,0,0|2,0,0]=4 1069 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [1,0,0,1,0,0|2,0,0]=4 1070 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|1,0,0]=3 1071 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,1,0,0|1,0,0]=3 1072 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,1,0,0|1,0,0]=3 1073 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,1,0,0|1,0,0]=3 1074 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 1075 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [1,0,0,1,0,0|2,0,0]=4 1076 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [1,0,0,1,0,0|2,0,0]=4 1077 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [1,0,0,1,0,0|2,0,0]=4 1078 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [1,0,0,1,0,0|2,0,0]=4 1079 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [1,0,0,1,0,0|2,0,0]=4 1080 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [1,0,0,1,0,0|2,0,0]=4 1081 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [1,0,0,1,0,0|2,0,0]=4 1082 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [1,0,0,1,0,0|2,0,0]=4 1083 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [1,0,0,1,0,0|2,0,0]=4 1084 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [1,0,0,1,0,0|2,0,0]=4 1085 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 1086 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [1,0,0,1,0,0|2,0,0]=4 1087 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 1088 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [1,0,0,1,0,0|2,0,0]=4 1089 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [1,0,0,1,0,0|2,0,0]=4 1090 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [1,0,0,1,0,0|2,0,0]=4 1091 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [1,0,0,1,0,0|2,0,0]=4 1092 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,0,0,1,0,0|1,0,0]=3 1093 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,0,0,1,0,0|1,0,0]=3 1094 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,0,0,1,0,0|2,0,0]=4 1095 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [1,0,0,1,0,0|2,0,0]=4 1096 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [1,0,0,1,0,0|2,0,0]=4 1097 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 1098 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 1099 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [1,0,0,1,0,0|2,0,0]=4 1100 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1101 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1102 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [1,0,0,1,0,0|2,0,0]=4 1103 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [1,0,0,1,0,0|2,0,0]=4 1104 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,0,0,1,0,0|1,0,0]=3 1105 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1106 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1107 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 1108 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,0,0,1,0,0|2,0,0]=4 1109 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,0,0,1,0,0|1,0,0]=3 1110 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1111 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1112 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 1113 B10R1.290 CC(=O)N(CCO)C1CC1 240690a_100000738766_100015343762 [1,0,0,1,0,0|2,0,0]=4 1114 B10R1.290 CC(=O)N(CCO)C1CC1 527a_100000738766_100103153847 [1,0,0,1,0,0|2,0,0]=4 1115 B10R1.290 CCCN(C(=O)C)C1CC1 11a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1116 B10R1.290 CCCN(C(=O)C)C1CC1 1626a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1117 B10R1.290 CCCN(C(=O)C)C1CC1 240690a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 1118 B10R1.290 CCCN(C(=O)C)C1CC1 527a_100000765834_100103153847 [1,0,0,1,0,0|2,0,0]=4 1119 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,0]=3 1120 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,0]=3 1121 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 1122 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 1123 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 1124 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|2,0,0]=4 1125 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1126 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1127 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [1,0,0,1,0,0|2,0,0]=4 1128 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [1,0,0,1,0,0|2,0,0]=4 1129 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,0]=3 1130 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [1,0,0,1,0,0|1,0,0]=3 1131 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [1,0,0,1,0,0|1,0,0]=3 1132 B10R1.381 COCC1(CCC1)C(=O)C 1458a_100000728662_200000210301 [1,0,0,1,0,0|2,0,0]=4 1133 B10R1.381 COCC1(CCC1)C(=O)[13CH3] 1458a_100000728662_200025704644 [1,0,0,1,0,0|2,0,0]=4 1134 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [1,0,0,1,0,0|2,0,0]=4 1135 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [1,0,0,1,0,0|1,0,0]=3 1136 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [1,0,0,1,0,0|2,0,0]=4 1137 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [1,0,0,1,0,0|2,0,0]=4 1138 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [1,0,0,1,0,0|2,0,0]=4 1139 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [1,0,0,1,0,0|2,0,0]=4 1140 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [1,0,0,1,0,0|2,0,0]=4 1141 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [1,0,0,1,0,0|1,0,0]=3 1142 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [1,0,0,1,0,0|2,0,0]=4 1143 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [1,0,0,1,0,0|2,0,0]=4 1144 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [1,0,0,1,0,0|2,0,0]=4 1145 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [1,0,0,1,0,0|1,0,0]=3 1146 B10R1.359 CC(=O)N1CCC(C1)(C)O 11a_100000718628_100015343762 [1,0,0,1,0,0|2,0,0]=4 1147 B10R1.359 CC(=O)N1CCC(C1)(C)O 240690a_100000718628_100015343762 [1,0,0,1,0,0|2,0,0]=4 1148 B10R1.359 CC(=O)N1CCC(C1)(C)O 527a_100000718628_100103153847 [1,0,0,1,0,0|2,0,0]=4 1149 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [1,0,0,1,0,0|2,0,0]=4 1150 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [1,0,0,1,0,0|2,0,0]=4 1151 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [1,0,0,1,0,0|2,0,0]=4 1152 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [0,0,0,1,1,0|2,0,0]=4 1153 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [0,0,0,1,1,0|1,0,0]=3 1154 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [0,0,0,1,1,0|2,0,0]=4 1155 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [0,0,0,1,1,0|2,0,0]=4 1156 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [0,0,0,1,1,0|1,0,0]=3 1157 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [0,0,0,1,1,0|2,0,0]=4 1158 B12R1.101 CC(=O)CN1C[C@H](O[C@H](C1)C)C 1458a_200121571877_200000210301 [0,0,0,1,0,1|2,0,0]=4 1159 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 2230a_100000210032_100000747473 [0,0,0,1,0,1|2,0,0]=4 1160 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 269982a_100000210032_100000187820 [0,0,0,1,0,1|2,0,0]=4 1161 B12R1.101 CC1CN(CC(O1)C)CC(=O)N 34a_100000210032_100000187820 [0,0,0,1,0,1|2,0,0]=4 1162 B12R1.101 CC1CN(CC(O1)C)CC(=O)[O-] 269982a_100000210032_100020667443 [0,0,0,1,0,1|1,0,1]=4 1163 B12R1.101 CC1CN(CC(O1)C)CC(=O)[O-] 34a_100000210032_100020667443 [0,0,0,1,0,1|1,0,1]=4 1164 B12R1.101 C[C@@H]1CN(C[C@@H](O1)C)CC(=O)[13CH3] 1458a_200121571877_200025704644 [0,0,0,1,0,1|2,0,0]=4 1165 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210303 [0,0,0,1,0,1|2,0,0]=4 1166 B12R1.276 CCCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210303 [0,0,0,1,0,1|2,0,0]=4 1167 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210207 [0,0,0,1,0,1|2,0,0]=4 1168 B12R1.276 CCCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210207 [0,0,0,1,0,1|1,0,0]=3 1169 B12R1.276 COCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000766300 [0,0,0,1,0,1|2,0,0]=4 1170 B12R1.276 CSCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100011218213 [0,0,0,1,0,1|2,0,0]=4 1171 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCF)O 269956a_100000750407_100011217306 [0,0,0,1,0,1|2,0,0]=4 1172 B12R1.276 O=C(O)[C@@H]1C[C@@H](CN1CCO)O 269956a_100000750407_100000211926 [0,0,0,1,0,1|2,0,0]=4 1173 B12R1.392 CC(=O)N1CCCC1CC(C)C 11a_100000748429_100015343762 [0,0,0,1,0,1|2,0,0]=4 1174 B12R1.392 CC(=O)N1CCCC1CC(C)C 1626a_100000748429_100015343762 [0,0,0,1,0,1|2,0,0]=4 1175 B12R1.392 CC(=O)N1CCCC1CC(C)C 240690a_100000748429_100015343762 [0,0,0,1,0,1|2,0,0]=4 1176 B12R1.392 CC(=O)N1CCCC1CC(C)C 527a_100000748429_100103153847 [0,0,0,1,0,1|2,0,0]=4 1177 B12R1.392 CC(C)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210760 [0,0,0,1,0,1|2,0,0]=4 1178 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100011218427 [0,0,0,1,0,1|2,0,0]=4 1179 B12R1.392 CC(O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218427 [0,0,0,1,0,1|1,0,0]=3 1180 B12R1.392 CC(O)CN1CCSC1C(=O)O 269956a_100000035718_100011218427 [0,0,0,1,0,1|2,0,0]=4 1181 B12R1.392 CC(O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100011218427 [0,0,0,1,0,1|2,0,0]=4 1182 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)N 2230a_100000003125_100009817552 [0,0,0,1,0,1|2,0,0]=4 1183 B12R1.392 C[C@@H](O)CN1CCC[C@H]1C(=O)O 269956a_100000743916_100009817552 [0,0,0,1,0,1|1,0,0]=3 1184 B12R1.392 C[C@@H](O)CN1CCSC1C(=O)O 269956a_100000035718_100009817552 [0,0,0,1,0,1|2,0,0]=4 1185 B12R1.392 C[C@@H](O)CN1CSC[C@H]1C(=O)O 269956a_100000743924_100009817552 [0,0,0,1,0,1|2,0,0]=4 1186 B12R1.874 CC(O)CN1CCCNC(=O)C1 2230a_100015190381_100011218427 [0,0,0,1,0,1|2,0,0]=4 1187 B12R1.874 C[C@@H](O)CN1CCCNC(=O)C1 2230a_100015190381_100009817552 [0,0,0,1,0,1|2,0,0]=4 1188 B12R1.874 NC(=O)CN1CCCCC(C1)O 2230a_100025706797_100000747473 [0,0,0,1,0,1|2,0,0]=4 1189 B12R1.874 NC(=O)CN1CCCCC(C1)O 269982a_100025706797_100000187820 [0,0,0,1,0,1|2,0,0]=4 1190 B12R1.874 O=C([O-])CN1CCCCC(C1)O 269982a_100025706797_100020667443 [0,0,0,1,0,1|1,0,1]=4 1191 B12R1.1531 O=C(O)CN(CCO)CC1CO1 269956a_100000747938_102125554688 [0,0,0,1,0,1|2,0,0]=4 1192 B12R1.1531 O=C(O)CN(CCO)C[C@@H]1CO1 269956a_100000747938_100000745022 [0,0,0,1,0,1|2,0,0]=4 1193 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O 2230a_100000695535_100000747473 [0,0,0,1,0,1|2,0,0]=4 1194 B12R1.1821 CC1(CCCN(C1)CC(=O)N)O 269982a_100000695535_100000187820 [0,0,0,1,0,1|2,0,0]=4 1195 B12R1.1821 CC1(CCCN(C1)CC(=O)[O-])O 269982a_100000695535_100020667443 [0,0,0,1,0,1|1,0,1]=4 1196 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,0,0,1,0,1|1,0,0]=3 1197 B12R1.57 O=C(O)C1CCC(CN1CF)O 269956a_100000089875_100015361967 [0,0,0,1,0,1|2,0,0]=4 1198 B12R1.88 CCN1C(CSC1(C)C)C(=O)O 269956a_100000706825_100000210202 [0,0,0,1,0,1|2,0,0]=4 1199 B12R1.125 CC(Br)COC1CCCCC1=O 34a_100012180447_100000754470 [0,0,0,1,0,1|2,0,0]=4 1200 B12R1.125 CC(Br)COC1CCCNC1=O 34a_100012180447_100000687798 [0,0,0,1,0,1|2,0,0]=4 1201 B12R1.125 CC(C)CNC1CCCCC1=O 34a_100000210953_100000754470 [0,0,0,1,0,1|2,0,0]=4 1202 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000210953_100000687798 [0,0,0,1,0,1|2,0,0]=4 1203 B12R1.125 CC(C)CNC1CCCNC1=O 2230a_100000747585_100000210760 [0,0,0,1,0,1|2,0,0]=4 1204 B12R1.125 CC(C)CNC1CCCNC1=O 270004a_100000747585_100000210432 [0,0,0,1,0,1|2,0,0]=4 1205 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000210953_100000687798 [0,0,0,1,0,1|2,0,0]=4 1206 B12R1.125 CC(C)CNC1CCCNC1=O 34a_100000747585_100000210624 [0,0,0,1,0,1|2,0,0]=4 1207 B12R1.125 CC(C)COC1CCCCC1=O 34a_100000210257_100000754470 [0,0,0,1,0,1|2,0,0]=4 1208 B12R1.125 CC(C)COC1CCCCC1=O 34a_100011214950_100000210624 [0,0,0,1,0,1|2,0,0]=4 1209 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000073722_100000210624 [0,0,0,1,0,1|2,0,0]=4 1210 B12R1.125 CC(C)COC1CCCNC1=O 34a_100000210257_100000687798 [0,0,0,1,0,1|2,0,0]=4 1211 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000204591_100000210760 [0,0,0,1,0,1|2,0,0]=4 1212 B12R1.125 CC(C)CSC1CCCCC1=O 62a_100000210624_100000204591 [0,0,0,1,0,1|2,0,0]=4 1213 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000210624_100000687798 [0,0,0,1,0,1|2,0,0]=4 1214 B12R1.125 CC(C)CSC1CCCNC1=O 62a_100000687798_100000210760 [0,0,0,1,0,1|2,0,0]=4 1215 B12R1.125 CC(C)OCC1CCCCC1=O 34a_100009861125_100000210206 [0,0,0,1,0,1|2,0,0]=4 1216 B12R1.125 CC(C)OCC1CCCCC1=O 7a_100009861125_100000210206 [0,0,0,1,0,1|2,0,0]=4 1217 B12R1.125 CC(F)COC1CCCCC1=O 34a_100015925927_100000754470 [0,0,0,1,0,1|2,0,0]=4 1218 B12R1.125 CC(F)COC1CCCNC1=O 34a_100015925927_100000687798 [0,0,0,1,0,1|2,0,0]=4 1219 B12R1.125 CC(O)CNC1CCCCC1=O 34a_100000210904_100000754470 [0,0,0,1,0,1|1,0,0]=3 1220 B12R1.125 CC(O)CNC1CCCCC1O 34a_100000210904_100000038908 [0,0,0,1,0,1|1,0,1]=4 1221 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000210904_100000687798 [0,0,0,1,0,1|1,0,0]=3 1222 B12R1.125 CC(O)CNC1CCCNC1=O 2230a_100000747585_100011218427 [0,0,0,1,0,1|1,0,0]=3 1223 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000210904_100000687798 [0,0,0,1,0,1|1,0,0]=3 1224 B12R1.125 CC(O)CNC1CCCNC1=O 34a_100000747585_100011218427 [0,0,0,1,0,1|1,0,0]=3 1225 B12R1.125 CC(O)CNC1COCCC1=O 34a_100000210904_100012180262 [0,0,0,1,0,1|2,0,0]=4 1226 B12R1.125 CC(O)COC1CCCCC1=O 34a_100011214950_100011218427 [0,0,0,1,0,1|1,0,0]=3 1227 B12R1.125 CC(O)COC1CCCNC1=O 34a_100000073722_100011218427 [0,0,0,1,0,1|1,0,0]=3 1228 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100000204591_100011218427 [0,0,0,1,0,1|1,0,0]=3 1229 B12R1.125 CC(O)CSC1CCCCC1=O 62a_100011218427_100000204591 [0,0,0,1,0,1|1,0,0]=3 1230 B12R1.125 CC(O)CSC1CCCCC1O 62a_100000038908_100011218427 [0,0,0,1,0,1|1,0,1]=4 1231 B12R1.125 CC(O)CSC1CCCCC1O 62a_100011218427_100000038908 [0,0,0,1,0,1|1,0,1]=4 1232 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100000687798_100011218427 [0,0,0,1,0,1|1,0,0]=3 1233 B12R1.125 CC(O)CSC1CCCNC1=O 62a_100011218427_100000687798 [0,0,0,1,0,1|1,0,0]=3 1234 B12R1.125 CC(O)CSC1COCCC1=O 62a_100011218427_100012180262 [0,0,0,1,0,1|2,0,0]=4 1235 B12R1.125 CC(O)CSC1COCCC1=O 62a_100012180262_100011218427 [0,0,0,1,0,1|2,0,0]=4 1236 B12R1.125 C[C@@H](Cl)COC1CCCCC1=O 34a_100016084084_100000754470 [0,0,0,1,0,1|2,0,0]=4 1237 B12R1.125 C[C@@H](Cl)COC1CCCNC1=O 34a_100016084084_100000687798 [0,0,0,1,0,1|2,0,0]=4 1238 B12R1.125 C[C@@H](N)COC1CCCCC1=O 34a_100000737577_100000754470 [0,0,0,1,0,1|2,0,0]=4 1239 B12R1.125 C[C@@H](N)COC1CCCNC1=O 34a_100000737577_100000687798 [0,0,0,1,0,1|2,0,0]=4 1240 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 2230a_100000747585_100009817552 [0,0,0,1,0,1|1,0,0]=3 1241 B12R1.125 C[C@@H](O)CNC1CCCNC1=O 34a_100000747585_100009817552 [0,0,0,1,0,1|1,0,0]=3 1242 B12R1.125 C[C@@H](O)COC1CCCCC1=O 34a_100011214950_100009817552 [0,0,0,1,0,1|1,0,0]=3 1243 B12R1.125 C[C@@H](O)COC1CCCNC1=O 34a_100000073722_100009817552 [0,0,0,1,0,1|1,0,0]=3 1244 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100000204591_100009817552 [0,0,0,1,0,1|1,0,0]=3 1245 B12R1.125 C[C@@H](O)CSC1CCCCC1=O 62a_100009817552_100000204591 [0,0,0,1,0,1|1,0,0]=3 1246 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100000038908_100009817552 [0,0,0,1,0,1|1,0,1]=4 1247 B12R1.125 C[C@@H](O)CSC1CCCCC1O 62a_100009817552_100000038908 [0,0,0,1,0,1|1,0,1]=4 1248 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100000687798_100009817552 [0,0,0,1,0,1|1,0,0]=3 1249 B12R1.125 C[C@@H](O)CSC1CCCNC1=O 62a_100009817552_100000687798 [0,0,0,1,0,1|1,0,0]=3 1250 B12R1.125 C[C@@H](O)CSC1COCCC1=O 62a_100009817552_100012180262 [0,0,0,1,0,1|2,0,0]=4 1251 B12R1.125 C[C@@H](O)CSC1COCCC1=O 62a_100012180262_100009817552 [0,0,0,1,0,1|2,0,0]=4 1252 B12R1.258 CC(=O)C1CCCN(C1)C(C)C 1458a_100015184606_200000210301 [0,0,0,1,0,1|2,0,0]=4 1253 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 240690a_100000740858_100015343762 [0,0,0,1,0,1|2,0,0]=4 1254 B12R1.258 CC(=O)N1CCCC(C1)C(C)O 527a_100000740858_100103153847 [0,0,0,1,0,1|2,0,0]=4 1255 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 2230a_100000195536_100000210206 [0,0,0,1,0,1|2,0,0]=4 1256 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 269982a_100000195536_100000210206 [0,0,0,1,0,1|2,0,0]=4 1257 B12R1.258 CC(C)N1CCCC(C1)C(=O)N 34a_100000195536_100000210206 [0,0,0,1,0,1|2,0,0]=4 1258 B12R1.258 CC(C)N1CCCC(C1)C(=O)[13CH3] 1458a_100015184606_200025704644 [0,0,0,1,0,1|2,0,0]=4 1259 B12R1.861 C=C(C)COC1CC(OC1=O)C 34a_100000210245_200000216747 [0,0,0,1,0,1|1,0,1]=4 1260 B12R1.861 C=C(C)CSC1CC(OC1=O)C 62a_100000748629_200000216747 [0,0,0,1,0,1|1,0,1]=4 1261 B12R1.861 C=C(C)CSC1CC(OC1=O)C 62a_200000216747_100000211660 [0,0,0,1,0,1|1,0,1]=4 1262 B12R1.861 CC(=O)COC1CC(OC1=O)C 34a_100000211253_200000216747 [0,0,0,1,0,1|0,0,2]=4 1263 B12R1.861 CC(Br)COC1CC(OC1=O)C 34a_100012180447_200000216747 [0,0,0,1,0,1|1,0,0]=3 1264 B12R1.861 CC(C)CNC1CC(OC1=O)C 2230a_100000210953_200000216747 [0,0,0,1,0,1|1,0,0]=3 1265 B12R1.861 CC(C)CNC1CC(OC1=O)C 34a_100000210953_200000216747 [0,0,0,1,0,1|1,0,0]=3 1266 B12R1.861 CC(C)COC1CC(OC1=O)C 34a_100000210257_200000216747 [0,0,0,1,0,1|1,0,0]=3 1267 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_100000210624_200000216747 [0,0,0,1,0,1|1,0,0]=3 1268 B12R1.861 CC(C)CSC1CC(OC1=O)C 62a_200000216747_100000210760 [0,0,0,1,0,1|1,0,0]=3 1269 B12R1.861 CC(F)COC1CC(OC1=O)C 34a_100015925927_200000216747 [0,0,0,1,0,1|1,0,0]=3 1270 B12R1.861 CC(O)CNC1CC(OC1=O)C 2230a_100000210904_200000216747 [0,0,0,1,0,1|0,0,0]=2 1271 B12R1.861 CC(O)CNC1CC(OC1=O)C 34a_100000210904_200000216747 [0,0,0,1,0,1|0,0,0]=2 1272 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_100011218427_200000216747 [0,0,0,1,0,1|0,0,0]=2 1273 B12R1.861 CC(O)CSC1CC(OC1=O)C 62a_200000216747_100011218427 [0,0,0,1,0,1|0,0,0]=2 1274 B12R1.861 CC1CC(C(=O)O1)NCC(F)F 34a_100000765723_200000216747 [0,0,0,1,0,1|2,0,0]=4 1275 B12R1.861 CC1CC(C(=O)O1)OCC(F)F 34a_100000743014_200000216747 [0,0,0,1,0,1|2,0,0]=4 1276 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)Cl 34a_100016084084_200000216747 [0,0,0,1,0,1|1,0,0]=3 1277 B12R1.861 CC1CC(C(=O)O1)OC[C@@H](C)N 34a_100000737577_200000216747 [0,0,0,1,0,1|1,0,0]=3 1278 B12R1.861 CC1CC(C(=O)O1)SCC(F)F 62a_100011934356_200000216747 [0,0,0,1,0,1|2,0,0]=4 1279 B12R1.861 CC1CC(C(=O)O1)SCC(F)F 62a_200000216747_100011934356 [0,0,0,1,0,1|2,0,0]=4 1280 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_100009817552_200000216747 [0,0,0,1,0,1|0,0,0]=2 1281 B12R1.861 CC1CC(C(=O)O1)SC[C@@H](C)O 62a_200000216747_100009817552 [0,0,0,1,0,1|0,0,0]=2 1282 B12R1.924 CC(O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100011218427 [0,0,0,1,0,1|1,0,1]=4 1283 B12R1.924 CC(O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100011218427 [0,0,0,1,0,1|1,0,1]=4 1284 B12R1.924 C[C@@H](O)CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100009817552 [0,0,0,1,0,1|1,0,1]=4 1285 B12R1.924 C[C@@H](O)CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100009817552 [0,0,0,1,0,1|1,0,1]=4 1286 B12R1.1507 CCCC(OCC1CC1)C(=O)N 34a_100011626294_100000742324 [0,0,0,1,0,1|2,0,0]=4 1287 B12R1.1507 CCCC(OCC1CC1)C(=O)N 7a_100011626294_100000742324 [0,0,0,1,0,1|2,0,0]=4 1288 B12R1.1507 CCCC(OCC1CO1)C(=O)N 34a_100011626294_102125554688 [0,0,0,1,0,1|1,0,0]=3 1289 B12R1.1507 CCCC(OCC1CO1)C(=O)N 7a_100011626294_102125554688 [0,0,0,1,0,1|1,0,0]=3 1290 B12R1.1507 CCCC(OCC1CS1)C(=O)N 7a_100011626294_100000031435 [0,0,0,1,0,1|1,1,0]=4 1291 B12R1.1507 CCCC(OC[C@@H]1CO1)C(=O)N 7a_100011626294_100000745022 [0,0,0,1,0,1|1,0,0]=3 1292 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)N 2230a_100000729256_100000742324 [0,0,0,1,0,1|2,0,0]=4 1293 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)N 34a_100000729256_100000742324 [0,0,0,1,0,1|2,0,0]=4 1294 B12R1.1507 CCC[C@H](NCC1CC1)C(=O)O 269956a_100000750406_100000742324 [0,0,0,1,0,1|1,0,0]=3 1295 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)N 2230a_100000729256_100011216344 [0,0,0,1,0,1|1,0,0]=3 1296 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)N 34a_100000729256_102125554688 [0,0,0,1,0,1|1,0,0]=3 1297 B12R1.1507 CCC[C@H](NCC1CO1)C(=O)O 269956a_100000750406_102125554688 [0,0,0,1,0,1|0,0,0]=2 1298 B12R1.1507 CCC[C@H](NCC1CS1)C(=O)O 269956a_100000750406_100000031435 [0,0,0,1,0,1|0,1,0]=3 1299 B12R1.1507 CCC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100000750406_100000745022 [0,0,0,1,0,1|0,0,0]=2 1300 B12R1.1507 COC[C@@H](NCC1CC1)C(=O)O 269956a_100011998655_100000742324 [0,0,0,1,0,1|2,0,0]=4 1301 B12R1.1507 COC[C@@H](NCC1CO1)C(=O)O 269956a_100011998655_102125554688 [0,0,0,1,0,1|1,0,0]=3 1302 B12R1.1507 COC[C@@H](NCC1CS1)C(=O)O 269956a_100011998655_100000031435 [0,0,0,1,0,1|1,1,0]=4 1303 B12R1.1507 COC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100011998655_100000745022 [0,0,0,1,0,1|1,0,0]=3 1304 B12R1.1507 CSC[C@H](NCC1CC1)C(=O)O 269956a_100011421858_100000742324 [0,0,0,1,0,1|2,0,0]=4 1305 B12R1.1507 CSC[C@H](NCC1CO1)C(=O)O 269956a_100011421858_102125554688 [0,0,0,1,0,1|1,0,0]=3 1306 B12R1.1507 CSC[C@H](NCC1CS1)C(=O)O 269956a_100011421858_100000031435 [0,0,0,1,0,1|1,1,0]=4 1307 B12R1.1507 CSC[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100011421858_100000745022 [0,0,0,1,0,1|1,0,0]=3 1308 B12R1.1507 C[Se]C[C@H](NCC1CC1)C(=O)O 269956a_100015254316_100000742324 [0,0,0,1,0,1|2,0,0]=4 1309 B12R1.1507 C[Se]C[C@H](NCC1CO1)C(=O)O 269956a_100015254316_102125554688 [0,0,0,1,0,1|1,0,0]=3 1310 B12R1.1507 C[Se]C[C@H](NCC1CS1)C(=O)O 269956a_100015254316_100000031435 [0,0,0,1,0,1|1,1,0]=4 1311 B12R1.1507 C[Se]C[C@H](NC[C@@H]1CO1)C(=O)O 269956a_100015254316_100000745022 [0,0,0,1,0,1|1,0,0]=3 1312 B12R1.2796 C=C(C)CNC1(CCC1)C(=O)O 269956a_100000688724_100000748629 [0,0,0,1,0,1|1,0,1]=4 1313 B12R1.2796 CC(C)CNC1(CCC1)C(=O)O 269956a_100000688724_100000210760 [0,0,0,1,0,1|1,0,0]=3 1314 B12R1.2796 CC(C)NCC1(CCC1)C(=O)O 269956a_100000729485_100000210206 [0,0,0,1,0,1|1,0,0]=3 1315 B12R1.2796 CC(O)CNC1(CCC1)C(=O)O 269956a_100000688724_100011218427 [0,0,0,1,0,1|0,0,0]=2 1316 B12R1.2796 C[C@@H](O)CNC1(CCC1)C(=O)O 269956a_100000688724_100009817552 [0,0,0,1,0,1|0,0,0]=2 1317 B12R1.2796 O=C(O)C1(CCC1)NCC(F)F 269956a_100000688724_100011934356 [0,0,0,1,0,1|2,0,0]=4 1318 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 11a_100000723723_100015343762 [0,0,0,1,0,1|2,0,0]=4 1319 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 1626a_100000723723_100015343762 [0,0,0,1,0,1|2,0,0]=4 1320 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 240690a_100000723723_100015343762 [0,0,0,1,0,1|2,0,0]=4 1321 B12R1.3092 CC(=O)N1CCCC(CC1)(C)O 527a_100000723723_100103153847 [0,0,0,1,0,1|2,0,0]=4 1322 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 11a_100020587339_100015343762 [0,1,0,1,0,0|2,0,0]=4 1323 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 1626a_100020587339_100015343762 [0,1,0,1,0,0|2,0,0]=4 1324 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 240690a_100020587339_100015343762 [0,1,0,1,0,0|2,0,0]=4 1325 B12R1.263 CC(=O)N1CCC[C@@H]1C(C)(C)O 527a_100020587339_100103153847 [0,1,0,1,0,0|2,0,0]=4 1326 B12R1.263 CC(C)(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000211941 [0,1,0,1,0,0|2,0,0]=4 1327 B12R1.592 CCN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_100000210202 [0,1,0,1,0,0|2,0,0]=4 1328 B12R1.862 CC1CC(C(=O)O1)NC(C)(C)C 2230a_100000715429_200000216747 [0,1,0,1,0,0|2,0,0]=4 1329 B12R1.862 CC1CC(C(=O)O1)OC(C)(C)C 34a_100015890283_200000216747 [0,1,0,1,0,0|2,0,0]=4 1330 B12R1.862 CC1CC(C(=O)O1)OC(C)(C)C 7a_100015890283_200000216747 [0,1,0,1,0,0|2,0,0]=4 1331 B12R1.862 CC1CC(C(=O)O1)SC(C)(C)C 62a_100000211941_200000216747 [0,1,0,1,0,0|2,0,0]=4 1332 B12R1.862 CC1CC(C(=O)O1)SC(C)(C)C 62a_200000216747_100000211941 [0,1,0,1,0,0|2,0,0]=4 1333 B12R1.1368 CC(=O)N1CCOCC(C1)(C)O 11a_100011091861_100015343762 [0,1,0,1,0,0|2,0,0]=4 1334 B12R1.1368 CC(=O)N1CCOCC(C1)(C)O 240690a_100011091861_100015343762 [0,1,0,1,0,0|2,0,0]=4 1335 B12R1.1368 CC(=O)N1CCOCC(C1)(C)O 527a_100011091861_100103153847 [0,1,0,1,0,0|2,0,0]=4 1336 B12R1.2793 CC(=O)N(CC(C)(C)O)C1CC1 11a_100000708131_100015343762 [0,1,0,1,0,0|2,0,0]=4 1337 B12R1.2793 CC(=O)N(CC(C)(C)O)C1CC1 1626a_100000708131_100015343762 [0,1,0,1,0,0|2,0,0]=4 1338 B12R1.2793 CC(=O)N(CC(C)(C)O)C1CC1 240690a_100000708131_100015343762 [0,1,0,1,0,0|2,0,0]=4 1339 B12R1.2793 CC(=O)N(CC(C)(C)O)C1CC1 527a_100000708131_100103153847 [0,1,0,1,0,0|2,0,0]=4 1340 B12R1.3096 CC(C)(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000211941 [0,1,0,1,0,0|2,0,0]=4 1341 B12R1.4234 CCNC1(CC(C1)(F)F)C(=O)O 269956a_100000063436_100000210202 [0,1,0,1,0,0|2,0,0]=4 1342 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210206 [0,1,0,1,0,0|2,0,0]=4 1343 B12R1.850 CC(C)N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000210206 [0,1,0,1,0,0|2,0,0]=4 1344 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210206 [0,1,0,1,0,0|2,0,0]=4 1345 B12R1.850 CC(C)N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210206 [0,1,0,1,0,0|1,0,0]=3 1346 B12R1.3579 CC(C)C[C@H](NC1CC1)C(=O)N 34a_100016989234_100000211595 [0,1,0,1,0,0|2,0,0]=4 1347 B12R1.3579 CS(=O)C[C@H](NC1CC1)C(=O)O 269956a_100009817418_100000211595 [0,1,0,1,0,0|1,0,1]=4 1348 B12R1.358 C=CC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100000185746 [0,1,0,1,0,0|2,0,0]=4 1349 B12R1.358 C=CC(=O)N1CC(OC(C1)C)C 240690a_100000210032_200121576911 [0,1,0,1,0,0|2,0,0]=4 1350 B12R1.358 CC1CC(CN(C1)C(=O)CO)C 240690a_100000210448_100000210174 [0,1,0,1,0,0|2,0,0]=4 1351 B12R1.358 CC1CC(CN(C1)C(=O)CO)C 527a_100000210448_100000210174 [0,1,0,1,0,0|2,0,0]=4 1352 B12R1.358 CC1CN(CC(O1)C)C(=O)CO 240690a_100000210032_100000210174 [0,1,0,1,0,0|1,0,0]=3 1353 B12R1.358 CC1CN(CC(O1)C)C(=O)CO 527a_100000210032_100000210174 [0,1,0,1,0,0|1,0,0]=3 1354 B12R1.358 CCC(=O)N1CC(OC(C1)C)C 11a_100000210032_100000210414 [0,1,0,1,0,0|2,0,0]=4 1355 B12R1.358 CCC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100000210414 [0,1,0,1,0,0|2,0,0]=4 1356 B12R1.358 CCC(=O)N1CC(OC(C1)C)C 240690a_100000210032_100000210414 [0,1,0,1,0,0|2,0,0]=4 1357 B12R1.358 CCC(=O)N1CC(OC(C1)C)C 527a_100000210032_100000210414 [0,1,0,1,0,0|2,0,0]=4 1358 B12R1.358 CNC(=O)N1CC(OC(C1)C)C 2708a_100102657272_100000210032 [0,1,0,1,0,0|2,0,0]=4 1359 B12R1.358 CNC(=O)N1CC(OC(C1)C)C 273464a_100102657272_100000210032 [0,1,0,1,0,0|2,0,0]=4 1360 B12R1.358 COC(=O)C1CC(CN(C1)C)C 2230a_100009871960_200000210301 [0,1,0,1,0,0|2,0,0]=4 1361 B12R1.358 COC(=O)C1CC(CN(C1)C)C 269982a_100009871960_200000210301 [0,1,0,1,0,0|2,0,0]=4 1362 B12R1.358 COC(=O)C1CC(CN(C1)C)C 34a_100009871960_200000210301 [0,1,0,1,0,0|2,0,0]=4 1363 B12R1.358 COC(=O)C1CC(CN(C1)C)O 2230a_100016995069_200000210301 [0,1,0,1,0,0|1,0,0]=3 1364 B12R1.358 COC(=O)C1CC(CN(C1)C)O 269982a_100016995069_200000210301 [0,1,0,1,0,0|1,0,0]=3 1365 B12R1.358 COC(=O)C1CC(CN(C1)[13CH3])C 2230a_100009871960_200025704644 [0,1,0,1,0,0|2,0,0]=4 1366 B12R1.358 COC(=O)C1CC(CN(C1)[13CH3])C 269982a_100009871960_200025704644 [0,1,0,1,0,0|2,0,0]=4 1367 B12R1.358 COC(=O)C1CC(CN(C1)[13CH3])C 34a_100009871960_200025704644 [0,1,0,1,0,0|2,0,0]=4 1368 B12R1.358 COC(=O)C1CC(CN(C1)[13CH3])O 2230a_100016995069_200025704644 [0,1,0,1,0,0|1,0,0]=3 1369 B12R1.358 COC(=O)C1CC(CN(C1)[13CH3])O 269982a_100016995069_200025704644 [0,1,0,1,0,0|1,0,0]=3 1370 B12R1.368 C#CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_200000035995 [0,1,0,1,0,0|2,0,0]=4 1371 B12R1.368 C=CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100011215867 [0,1,0,1,0,0|2,0,0]=4 1372 B12R1.368 CC(C#N)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000184139 [0,1,0,1,0,0|2,0,0]=4 1373 B12R1.368 CC(C)C1CCCN1C(=O)CO 240690a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 1374 B12R1.368 CC(C)C1CCCN1C(=O)CO 527a_100000762757_100000210174 [0,1,0,1,0,0|2,0,0]=4 1375 B12R1.368 CC(CO)N1CCC[C@H]1C(=O)N 2230a_100000003125_100012180447 [0,1,0,1,0,0|2,0,0]=4 1376 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,1,0,1,0,0|2,0,0]=4 1377 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 2230a_100000752040_100000210206 [0,1,0,1,0,0|2,0,0]=4 1378 B12R1.368 COC(=O)[C@@H]1CCCN1C(C)C 269982a_100000752040_100000210206 [0,1,0,1,0,0|2,0,0]=4 1379 B12R1.368 COC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100009879195 [0,1,0,1,0,0|1,0,0]=3 1380 B12R1.368 COC(C)N1CCSC1C(=O)O 269956a_100000035718_100009879195 [0,1,0,1,0,0|2,0,0]=4 1381 B12R1.368 COC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100009879195 [0,1,0,1,0,0|2,0,0]=4 1382 B12R1.368 C[C@H](CO)N1CCC[C@H]1C(=O)O 269956a_100000743916_100016084084 [0,1,0,1,0,0|1,0,0]=3 1383 B12R1.368 C[C@H](CO)N1CCSC1C(=O)O 269956a_100000035718_100016084084 [0,1,0,1,0,0|2,0,0]=4 1384 B12R1.368 C[C@H](CO)N1CSC[C@H]1C(=O)O 269956a_100000743924_100016084084 [0,1,0,1,0,0|2,0,0]=4 1385 B12R1.1529 CCCC(NC1CC1)C(=O)OC 34a_100000212008_200009843822 [0,1,0,1,0,0|2,0,0]=4 1386 B12R1.1529 CCCC(SC1CC1)C(=O)OC 62a_200009843822_100000211595 [0,1,0,1,0,0|2,0,0]=4 1387 B12R1.1529 CCCN(CC1CC1)C(=O)CO 240690a_100000210729_100000210174 [0,1,0,1,0,0|2,0,0]=4 1388 B12R1.1529 CCCN(CC1CC1)C(=O)CO 527a_100000210729_100000210174 [0,1,0,1,0,0|2,0,0]=4 1389 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 34a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 1390 B12R1.1529 CCO[C@H](CC1CC1)C(=O)OC 7a_100015422700_100000210202 [0,1,0,1,0,0|2,0,0]=4 1391 B12R1.1657 C=CC(=O)N1CCCCC(C1)O 240690a_100025706797_200121576911 [0,1,0,1,0,0|2,0,0]=4 1392 B12R1.1657 CCC(=O)N1CCCCC(C1)O 240690a_100025706797_100000210414 [0,1,0,1,0,0|2,0,0]=4 1393 B12R1.1657 CNC(=O)N1CCCCC(C1)O 2708a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 1394 B12R1.1657 CNC(=O)N1CCCCC(C1)O 273464a_100102657272_100025706797 [0,1,0,1,0,0|2,0,0]=4 1395 B12R1.1657 O=C(CO)N1CCCCC(C1)O 240690a_100025706797_100000210174 [0,1,0,1,0,0|1,0,0]=3 1396 B12R1.1657 O=C(CO)N1CCOC[C@@H](C1)O 240690a_100016073750_100000210174 [0,1,0,1,0,0|2,0,0]=4 1397 B12R1.1707 C=CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_200121576911 [0,1,0,1,0,0|2,0,0]=4 1398 B12R1.1707 CC1(CC(CCO1)C(=O)CO)C 1458a_100000210174_100010191092 [0,1,0,1,0,0|2,0,0]=4 1399 B12R1.1707 CC1(CCCN(C1)C(=O)CO)C 240690a_100000716857_100000210174 [0,1,0,1,0,0|2,0,0]=4 1400 B12R1.1707 CC1(CCCN(C1)C(=O)CO)C 527a_100000716857_100000210174 [0,1,0,1,0,0|2,0,0]=4 1401 B12R1.1707 CC1(CCCN(C1)C(=O)CO)O 240690a_100000695535_100000210174 [0,1,0,1,0,0|1,0,0]=3 1402 B12R1.1707 CC1(CCCN(C1)C(=O)CO)O 527a_100000695535_100000210174 [0,1,0,1,0,0|1,0,0]=3 1403 B12R1.1707 CCC(=O)N1CCCC(C1)(C)O 11a_100000695535_100000210414 [0,1,0,1,0,0|2,0,0]=4 1404 B12R1.1707 CCC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100000210414 [0,1,0,1,0,0|2,0,0]=4 1405 B12R1.1707 CCC(=O)N1CCCC(C1)(C)O 527a_100000695535_100000210414 [0,1,0,1,0,0|2,0,0]=4 1406 B12R1.1707 CNC(=O)N1CCCC(C1)(C)O 2708a_100102657272_100000695535 [0,1,0,1,0,0|2,0,0]=4 1407 B12R1.1707 CNC(=O)N1CCCC(C1)(C)O 273464a_100102657272_100000695535 [0,1,0,1,0,0|2,0,0]=4 1408 B12R1.1726 COC(=O)C1(CCC1)NC(C)C 34a_100138425928_100000694912 [0,1,0,1,0,0|2,0,0]=4 1409 B12R1.1726 COC(=O)C1(CCC1)OC(C)C 34a_100000212225_100000694912 [0,1,0,1,0,0|2,0,0]=4 1410 B12R1.1726 COC(=O)C1(CCC1)OC(C)C 34a_100000702008_100000210206 [0,1,0,1,0,0|2,0,0]=4 1411 B12R1.1726 COC(=O)C1(CCC1)OC(C)C 7a_100000702008_100000210206 [0,1,0,1,0,0|2,0,0]=4 1412 B12R1.1726 COC(=O)C1(CCC1)SC(C)C 62a_100000210206_100000694912 [0,1,0,1,0,0|2,0,0]=4 1413 B12R1.1726 COC(=O)C1(CCC1)SC(C)C 62a_100000694912_100000210206 [0,1,0,1,0,0|2,0,0]=4 1414 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 2230a_100000753705_100000210202 [0,1,0,1,0,0|1,0,0]=3 1415 B12R1.1926 CCN1C[C@@H](C[C@H]1C(=O)OC)O 269982a_100000753705_100000204670 [0,1,0,1,0,0|1,0,0]=3 1416 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 2230a_100000724535_100000210202 [0,1,0,1,0,0|2,0,0]=4 1417 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 269982a_100000724535_100000204670 [0,1,0,1,0,0|2,0,0]=4 1418 B12R1.1926 CCN1C[C@H](C[C@H]1C(=O)OC)F 34a_100000724535_100000210202 [0,1,0,1,0,0|2,0,0]=4 1419 B12R1.1926 COC(=O)[C@@H]1C[C@H](CN1CF)O 269982a_100000753705_100015361967 [0,1,0,1,0,0|2,0,0]=4 1420 B12R1.1926 O=C(CO)N1C[C@@H](C[C@H]1CO)O 240690a_100000707816_100000210174 [0,1,0,1,0,0|2,0,0]=4 1421 B12R1.1926 O=C(CO)N1C[C@@H](C[C@H]1CO)O 527a_100000707816_100000210174 [0,1,0,1,0,0|2,0,0]=4 1422 B12R1.3464 CC(C)CN(C(=O)CO)C1CC1 240690a_100000737031_100000210174 [0,1,0,1,0,0|2,0,0]=4 1423 B12R1.3464 CC(C)CN(C(=O)CO)C1CC1 527a_100000737031_100000210174 [0,1,0,1,0,0|2,0,0]=4 1424 B12R1.3464 COC(=O)C(NC(C)C)C1CC1 2230a_100138425928_100016157471 [0,1,0,1,0,0|2,0,0]=4 1425 B12R1.3464 COC(=O)C(NC(C)C)C1CC1 34a_100138425928_100016157471 [0,1,0,1,0,0|2,0,0]=4 1426 B12R1.3464 COC(=O)C(OC(C)C)C1CC1 34a_100000212225_100016157471 [0,1,0,1,0,0|2,0,0]=4 1427 B12R1.3464 COC(=O)C(SC(C)C)C1CC1 62a_100000210206_100016157471 [0,1,0,1,0,0|2,0,0]=4 1428 B12R1.3464 COC(=O)C(SC(C)C)C1CC1 62a_100016157471_100000210206 [0,1,0,1,0,0|2,0,0]=4 1429 B12R1.124 C[C@@H](O)C(=O)C1CCCCC1=O 1458a_100000717761_100000204591 [0,1,0,1,0,0|1,0,1]=4 1430 B12R1.124 C[C@@H](O)C(=O)C1CCCNC1=O 1458a_100000717761_100000687798 [0,1,0,1,0,0|1,0,1]=4 1431 B12R1.124 C[C@H](O)C(=O)C1CCCCC1=O 1458a_217856618621_100000204591 [0,1,0,1,0,0|1,0,1]=4 1432 B12R1.124 C[C@H](O)C(=O)C1CCCNC1=O 1458a_217856618621_100000687798 [0,1,0,1,0,0|1,0,1]=4 1433 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,1,0,1,0,0|2,0,0]=4 1434 B12R1.261 CC(C)N1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210206 [0,1,0,1,0,0|2,0,0]=4 1435 B12R1.261 CC(C)N1CCSCC1C(=O)O 269956a_100011346106_100000210206 [0,1,0,1,0,0|2,0,0]=4 1436 B12R1.261 CC(C)N1CSCCC1C(=O)O 269956a_100015185162_100000210206 [0,1,0,1,0,0|2,0,0]=4 1437 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)C 1458a_100000210198_200000216747 [0,1,0,1,0,0|1,0,1]=4 1438 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)F 1458a_100000062450_200000216747 [0,1,0,1,0,0|1,0,1]=4 1439 B12R1.864 CC1CC(C(=O)O1)C(=O)C(O)O 1458a_100000233687_200000216747 [0,1,0,1,0,0|1,0,1]=4 1440 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@@H](C)O 1458a_100000717761_200000216747 [0,1,0,1,0,0|0,0,1]=3 1441 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@H](C)O 1458a_217856618621_200000216747 [0,1,0,1,0,0|0,0,1]=3 1442 B12R1.864 CC1CC(C(=O)O1)N(C)C(C)C 269982a_200000211004_200000216747 [0,1,0,1,0,0|2,0,0]=4 1443 B12R1.1388 CC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210206 [0,1,0,1,0,0|2,0,0]=4 1444 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [0,1,0,1,0,0|2,0,0]=4 1445 B12R1.1813 CC(C)NC(C(=O)O)C1CCC1 269956a_100000765838_100000210206 [0,1,0,1,0,0|2,0,0]=4 1446 B12R1.3432 CC[C@H](C)[C@@H](NC1CC1)C(=O)O 269956a_100009815163_100000211595 [0,1,0,1,0,0|2,0,0]=4 1447 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 240690a_200012821172_100015343762 [0,1,0,1,0,0|2,0,0]=4 1448 B12R1.11 CC(=O)N1CC(CC(C1)CO)C 527a_200012821172_100103153847 [0,1,0,1,0,0|2,0,0]=4 1449 B12R1.935 CSCC[C@H](NC1CC1)C(=O)O 269956a_100000743919_100000211595 [0,1,0,1,0,0|2,0,0]=4 1450 B12R1.935 C[Se]CC[C@H](NC1CC1)C(=O)O 269956a_100020619752_100000211595 [0,1,0,1,0,0|2,0,0]=4 1451 B12R1.3171 CC(C)NC1(CCCC1)C(=O)O 269956a_100000739329_100000210206 [0,1,0,1,0,0|2,0,0]=4 1452 B12R1.371 CC(CO)NC1CCCNC1=O 2230a_100000747585_100012180447 [0,1,0,1,0,0|2,0,0]=4 1453 B12R1.371 CC(CO)NC1CCCNC1=O 34a_100000747585_100012180447 [0,1,0,1,0,0|2,0,0]=4 1454 B12R1.371 CC(CO)OC1CCCCC1=O 34a_100011214950_100012180447 [0,1,0,1,0,0|2,0,0]=4 1455 B12R1.371 CC(CO)OC1CCCNC1=O 34a_100000073722_100012180447 [0,1,0,1,0,0|2,0,0]=4 1456 B12R1.371 CC(CO)SC1CCCCC1=O 62a_100012180447_100000204591 [0,1,0,1,0,0|2,0,0]=4 1457 B12R1.371 CC(CO)SC1CCCNC1=O 62a_100012180447_100000687798 [0,1,0,1,0,0|2,0,0]=4 1458 B12R1.371 COC(C)SC1CCCCC1=O 62a_100000204591_100009879195 [0,1,0,1,0,0|2,0,0]=4 1459 B12R1.371 COC(C)SC1CCCCC1=O 62a_100009879195_100000204591 [0,1,0,1,0,0|2,0,0]=4 1460 B12R1.371 COC(C)SC1CCCNC1=O 62a_100000687798_100009879195 [0,1,0,1,0,0|2,0,0]=4 1461 B12R1.371 COC(C)SC1CCCNC1=O 62a_100009879195_100000687798 [0,1,0,1,0,0|2,0,0]=4 1462 B12R1.371 C[C@H](CO)NC1CCCNC1=O 2230a_100000737577_100000687798 [0,1,0,1,0,0|2,0,0]=4 1463 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100000204591_100016084084 [0,1,0,1,0,0|2,0,0]=4 1464 B12R1.371 C[C@H](CO)SC1CCCCC1=O 62a_100016084084_100000204591 [0,1,0,1,0,0|2,0,0]=4 1465 B12R1.371 C[C@H](CO)SC1CCCNC1=O 62a_100000687798_100016084084 [0,1,0,1,0,0|2,0,0]=4 1466 B12R1.371 C[C@H](CO)SC1CCCNC1=O 62a_100016084084_100000687798 [0,1,0,1,0,0|2,0,0]=4 1467 B12R1.532 C#CC(C)NC1CC(OC1=O)C 2230a_100000707721_200000216747 [0,1,0,1,0,0|2,0,0]=4 1468 B12R1.532 C#CC(C)NC1CC(OC1=O)C 34a_100000707721_200000216747 [0,1,0,1,0,0|2,0,0]=4 1469 B12R1.532 C#CC(C)SC1CC(OC1=O)C 62a_200000035995_200000216747 [0,1,0,1,0,0|2,0,0]=4 1470 B12R1.532 C#C[C@@H](C)OC1CC(OC1=O)C 34a_100009815206_200000216747 [0,1,0,1,0,0|2,0,0]=4 1471 B12R1.532 C#C[C@@H](C)OC1CC(OC1=O)C 7a_100009815206_200000216747 [0,1,0,1,0,0|2,0,0]=4 1472 B12R1.532 C=CC(C)OC1CC(OC1=O)C 34a_100000695699_200000216747 [0,1,0,1,0,0|2,0,0]=4 1473 B12R1.532 C=CC(C)SC1CC(OC1=O)C 62a_100011215867_200000216747 [0,1,0,1,0,0|2,0,0]=4 1474 B12R1.532 CC(C#N)NC1CC(OC1=O)C 2230a_100000737613_200000216747 [0,1,0,1,0,0|2,0,0]=4 1475 B12R1.532 CC(C#N)OC1CC(OC1=O)C 34a_100011218135_200000216747 [0,1,0,1,0,0|2,0,0]=4 1476 B12R1.532 CC(CN1CC(OC1=O)C)O[13CH3] 34a_200000003947_200025704644 [0,1,0,1,0,0|1,0,0]=3 1477 B12R1.532 CC1CC(C(=O)O1)N[C@H](C)CO 2230a_100000737577_200000216747 [0,1,0,1,0,0|1,0,0]=3 1478 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 34a_100016041109_200000216747 [0,1,0,1,0,0|2,0,0]=4 1479 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 7a_100016041109_200000216747 [0,1,0,1,0,0|2,0,0]=4 1480 B12R1.532 CC1CC(C(=O)O1)OC(C)CN 34a_100000210904_200000216747 [0,1,0,1,0,0|2,0,0]=4 1481 B12R1.532 CC1CC(C(=O)O1)SC(C)C#N 62a_100000703298_200000216747 [0,1,0,1,0,0|2,0,0]=4 1482 B12R1.532 CC1CC(C(=O)O1)SC(C)C#N 62a_200000216747_100000703298 [0,1,0,1,0,0|2,0,0]=4 1483 B12R1.532 CC1CC(C(=O)O1)SC(C)CO 62a_100012180447_200000216747 [0,1,0,1,0,0|1,0,0]=3 1484 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_100016084084_200000216747 [0,1,0,1,0,0|1,0,0]=3 1485 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_200000216747_100016084084 [0,1,0,1,0,0|1,0,0]=3 1486 B12R1.532 CCC(C)NC1CC(OC1=O)C 2230a_100000209981_200000216747 [0,1,0,1,0,0|2,0,0]=4 1487 B12R1.532 CCC(C)OC1CC(OC1=O)C 7a_100000210228_200000216747 [0,1,0,1,0,0|2,0,0]=4 1488 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_100000758301_200000216747 [0,1,0,1,0,0|2,0,0]=4 1489 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_200000216747_100000758301 [0,1,0,1,0,0|2,0,0]=4 1490 B12R1.532 COC(C)CN1CC(OC1=O)C 34a_200000003947_200000210301 [0,1,0,1,0,0|1,0,0]=3 1491 B12R1.532 COC(C)SC1CC(OC1=O)C 62a_100009879195_200000216747 [0,1,0,1,0,0|1,0,0]=3 1492 B12R1.532 COC(C)SC1CC(OC1=O)C 62a_200000216747_100009879195 [0,1,0,1,0,0|1,0,0]=3 1493 B12R1.1506 CCCC(OC1COC1)C(=O)N 34a_100011626294_100009818527 [0,1,0,1,0,0|2,0,0]=4 1494 B12R1.1506 CCCC(OC1COC1)C(=O)N 7a_100011626294_100009818527 [0,1,0,1,0,0|2,0,0]=4 1495 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)O 269956a_100000750406_100000749161 [0,1,0,1,0,0|2,0,0]=4 1496 B12R1.1506 CCC[C@H](NC1COC1)C(=O)N 34a_100000729256_100009818527 [0,1,0,1,0,0|2,0,0]=4 1497 B12R1.1506 CCC[C@H](NC1COC1)C(=O)O 269956a_100000750406_100009818527 [0,1,0,1,0,0|1,0,0]=3 1498 B12R1.1506 COC[C@@H](NC1COC1)C(=O)O 269956a_100011998655_100009818527 [0,1,0,1,0,0|2,0,0]=4 1499 B12R1.1506 CSC[C@H](NC1COC1)C(=O)O 269956a_100011421858_100009818527 [0,1,0,1,0,0|2,0,0]=4 1500 B12R1.1506 C[Se]C[C@H](NC1COC1)C(=O)O 269956a_100015254316_100009818527 [0,1,0,1,0,0|2,0,0]=4 1501 B12R1.2219 C#CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_200000035995 [0,1,0,1,0,0|2,0,0]=4 1502 B12R1.2219 C=CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100011215867 [0,1,0,1,0,0|2,0,0]=4 1503 B12R1.2219 CC(C#N)NC1(CCC1)C(=O)O 269956a_100000688724_100000184139 [0,1,0,1,0,0|2,0,0]=4 1504 B12R1.2219 CCC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000758301 [0,1,0,1,0,0|2,0,0]=4 1505 B12R1.2219 COC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100009879195 [0,1,0,1,0,0|1,0,0]=3 1506 B12R1.2219 C[C@H](CO)NC1(CCC1)C(=O)O 269956a_100000688724_100016084084 [0,1,0,1,0,0|1,0,0]=3 1507 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200000210301 [0,0,0,2,0,0|0,0,2]=4 1508 B12R2.1145 CC(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200000210301 [0,0,0,2,0,0|0,0,2]=4 1509 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2CC1C(=O)O2 1458a_200045396503_200025704644 [0,0,0,2,0,0|0,0,2]=4 1510 B12R2.1145 [13CH3]C(=O)[C@@H]1C[C@@H]2C[C@H]1C(=O)O2 1458a_200121570381_200025704644 [0,0,0,2,0,0|0,0,2]=4 1511 B12R2.253 CC(=O)N1CC2CCC(C1)O2 11a_100015188616_100015343762 [0,0,0,2,0,0|2,0,0]=4 1512 B12R2.253 CC(=O)N1CC2CCC(C1)O2 1626a_100015188616_100015343762 [0,0,0,2,0,0|2,0,0]=4 1513 B12R2.253 CC(=O)N1CC2CCC(C1)O2 240690a_100015188616_100015343762 [0,0,0,2,0,0|2,0,0]=4 1514 B12R2.253 CC(=O)N1CC2CCC(C1)O2 527a_100015188616_100103153847 [0,0,0,2,0,0|2,0,0]=4 1515 B12R2.1356 O=C(O)[C@@H]1CCCN1C2CC2 269956a_100000743916_100000211595 [0,0,0,2,0,0|2,0,0]=4 1516 B12R2.2310 CC1CC(C(=O)O1)NC2CC2 34a_100000212008_200000216747 [0,0,0,2,0,0|2,0,0]=4 1517 B12R2.2310 CC1CC(C(=O)O1)SC2CC2 62a_200000216747_100000211595 [0,0,0,2,0,0|2,0,0]=4 1518 B12R2.3222 O=C(O)C1(CCC1)NC2CC2 269956a_100000688724_100000211595 [0,0,0,2,0,0|2,0,0]=4 1519 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [1,0,0,0,1,0|2,0,0]=4 1520 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [1,0,0,0,1,0|1,0,0]=3 1521 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [1,0,0,0,1,0|1,0,0]=3 1522 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [1,0,0,0,1,0|2,0,0]=4 1523 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [1,0,0,0,1,0|2,0,0]=4 1524 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [1,0,0,0,1,0|2,0,0]=4 1525 B10R0.27 C#CC(CCC)OCC(C)O 34a_200011217317_100011218427 [1,0,0,0,0,1|1,0,1]=4 1526 B10R0.27 C#CC(CCC)OCC(C)O 7a_200011217317_100011218427 [1,0,0,0,0,1|1,0,1]=4 1527 B10R0.27 C#CC(CCC)OC[C@@H](C)O 34a_200011217317_100009817552 [1,0,0,0,0,1|1,0,1]=4 1528 B10R0.27 C#CC(CCC)OC[C@@H](C)O 7a_200011217317_100009817552 [1,0,0,0,0,1|1,0,1]=4 1529 B10R0.27 C=CC(CCC)OCC(C)C 34a_100011216692_100000210624 [1,0,0,0,0,1|2,0,0]=4 1530 B10R0.27 C=CC(CCC)OCC(C)C 7a_100011216692_100000210760 [1,0,0,0,0,1|2,0,0]=4 1531 B10R0.27 C=CC(CCC)OCC(C)O 34a_100011216692_100011218427 [1,0,0,0,0,1|1,0,0]=3 1532 B10R0.27 C=CC(CCC)OCC(C)O 7a_100011216692_100011218427 [1,0,0,0,0,1|1,0,0]=3 1533 B10R0.27 C=CC(CCC)OC[C@@H](C)O 34a_100011216692_100009817552 [1,0,0,0,0,1|1,0,0]=3 1534 B10R0.27 C=CC(CCC)OC[C@@H](C)O 7a_100011216692_100009817552 [1,0,0,0,0,1|1,0,0]=3 1535 B10R0.27 CCCC(C#N)OCC(C)O 34a_100000686963_100011218427 [1,0,0,0,0,1|1,0,1]=4 1536 B10R0.27 CCCC(C#N)OCC(C)O 7a_100000686963_100011218427 [1,0,0,0,0,1|1,0,1]=4 1537 B10R0.27 CCCC(C#N)OC[C@@H](C)O 34a_100000686963_100009817552 [1,0,0,0,0,1|1,0,1]=4 1538 B10R0.27 CCCC(C#N)OC[C@@H](C)O 7a_100000686963_100009817552 [1,0,0,0,0,1|1,0,1]=4 1539 B10R0.27 CCCC(CC)NCC(C)O 2230a_100000747048_100011218427 [1,0,0,0,0,1|1,0,1]=4 1540 B10R0.27 CCCC(CC)NCC(C)O 270004a_100000210904_100000687865 [1,0,0,0,0,1|1,0,1]=4 1541 B10R0.27 CCCC(CC)NC[C@@H](C)O 2230a_100000747048_100009817552 [1,0,0,0,0,1|1,0,1]=4 1542 B10R0.27 CCCC(CC)OCC(C)O 34a_100000687864_100011218427 [1,0,0,0,0,1|1,0,1]=4 1543 B10R0.27 CCCC(CC)OCC(C)O 7a_100000687864_100011218427 [1,0,0,0,0,1|1,0,1]=4 1544 B10R0.27 CCCC(CC)OC[C@@H](C)O 34a_100000687864_100009817552 [1,0,0,0,0,1|1,0,1]=4 1545 B10R0.27 CCCC(CC)OC[C@@H](C)O 7a_100000687864_100009817552 [1,0,0,0,0,1|1,0,1]=4 1546 B10R0.27 CCCC(CC)SCC(C)O 62a_100011218427_100011219200 [1,0,0,0,0,1|1,0,1]=4 1547 B10R0.27 CCCC(CC)SCC(C)O 62a_100011219200_100011218427 [1,0,0,0,0,1|1,0,1]=4 1548 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100009817552_100011219200 [1,0,0,0,0,1|1,0,1]=4 1549 B10R0.27 CCCC(CC)SC[C@@H](C)O 62a_100011219200_100009817552 [1,0,0,0,0,1|1,0,1]=4 1550 B10R0.27 CCC[C@@H](CO)NCC(C)C 2230a_100000732646_100000210760 [1,0,0,0,0,1|1,0,1]=4 1551 B10R0.27 CCC[C@@H](CO)NCC(C)C 34a_100000732646_100000210624 [1,0,0,0,0,1|1,0,1]=4 1552 B10R0.27 CCC[C@@H](CO)NCC(C)O 2230a_100000732646_100011218427 [1,0,0,0,0,1|0,0,1]=3 1553 B10R0.27 CCC[C@@H](CO)NCC(C)O 34a_100000732646_100011218427 [1,0,0,0,0,1|0,0,1]=3 1554 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 2230a_100000732646_100009817552 [1,0,0,0,0,1|0,0,1]=3 1555 B10R0.27 CCC[C@@H](CO)NC[C@@H](C)O 34a_100000732646_100009817552 [1,0,0,0,0,1|0,0,1]=3 1556 B10R0.27 COCC(CO)NCC(C)O 2230a_100000724102_100011218427 [1,0,0,0,0,1|1,0,1]=4 1557 B10R0.27 COCC(CO)NCC(C)O 34a_100000724102_100011218427 [1,0,0,0,0,1|1,0,1]=4 1558 B10R0.27 COCC(CO)NC[C@@H](C)O 2230a_100000724102_100009817552 [1,0,0,0,0,1|1,0,1]=4 1559 B10R0.27 COCC(CO)NC[C@@H](C)O 34a_100000724102_100009817552 [1,0,0,0,0,1|1,0,1]=4 1560 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [1,0,0,0,0,1|1,0,1]=4 1561 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [1,0,0,0,0,1|0,0,2]=4 1562 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [1,0,0,0,0,1|0,0,2]=4 1563 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [1,0,0,0,0,1|2,0,0]=4 1564 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [1,0,0,0,0,1|1,0,0]=3 1565 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100011218427 [1,0,0,0,0,1|2,0,0]=4 1566 B10R0.84 CC(O)CN[C@@H](CO)C(=O)N 34a_100000729942_100011218427 [1,0,0,0,0,1|2,0,0]=4 1567 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [1,0,0,0,0,1|2,0,0]=4 1568 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [1,0,0,0,0,1|2,0,0]=4 1569 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [1,0,0,0,0,1|2,0,0]=4 1570 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [1,0,0,0,0,1|2,0,0]=4 1571 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [1,0,0,0,0,1|1,0,0]=3 1572 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [1,0,0,0,0,1|1,0,0]=3 1573 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [1,0,0,0,0,1|1,0,0]=3 1574 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [1,0,0,0,0,1|1,0,0]=3 1575 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [1,0,0,0,0,1|1,0,0]=3 1576 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [1,0,0,0,0,1|1,0,0]=3 1577 B10R0.84 CCC(OCC(C)Br)C(=O)N 34a_100012180447_100000750255 [1,0,0,0,0,1|2,0,0]=4 1578 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [1,0,0,0,0,1|2,0,0]=4 1579 B10R0.84 CCC(OCC(C)F)C(=O)N 34a_100015925927_100000750255 [1,0,0,0,0,1|2,0,0]=4 1580 B10R0.84 CCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000750255 [1,0,0,0,0,1|2,0,0]=4 1581 B10R0.84 CCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000750255 [1,0,0,0,0,1|2,0,0]=4 1582 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [1,0,0,0,0,1|2,0,0]=4 1583 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [1,0,0,0,0,1|2,0,0]=4 1584 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [1,0,0,0,0,1|1,0,0]=3 1585 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [1,0,0,0,0,1|1,0,0]=3 1586 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [1,0,0,0,0,1|1,0,0]=3 1587 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [1,0,0,0,0,1|1,0,0]=3 1588 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [1,0,0,0,0,1|1,0,0]=3 1589 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [1,0,0,0,0,1|0,0,0]=2 1590 B10R0.84 CC[C@@H](NCC(F)F)C(=O)O 269956a_100000747097_100011934356 [1,0,0,0,0,1|2,0,0]=4 1591 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [1,0,0,0,0,1|0,0,0]=2 1592 B10R0.84 CC[C@H](NCC(C)O)[C@@H](C)O 2230a_100161114882_100011218427 [1,0,0,0,0,1|1,0,1]=4 1593 B10R0.84 CC[C@H](NCC(C)O)[C@@H](C)O 34a_100161114882_100011218427 [1,0,0,0,0,1|1,0,1]=4 1594 B10R0.84 CC[C@H](NC[C@@H](C)O)[C@@H](C)O 2230a_100161114882_100009817552 [1,0,0,0,0,1|1,0,1]=4 1595 B10R0.84 CC[C@H](NC[C@@H](C)O)[C@@H](C)O 34a_100161114882_100009817552 [1,0,0,0,0,1|1,0,1]=4 1596 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [1,0,0,0,0,1|1,0,0]=3 1597 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 2230a_100000729942_100009817552 [1,0,0,0,0,1|2,0,0]=4 1598 B10R0.84 C[C@@H](O)CN[C@@H](CO)C(=O)N 34a_100000729942_100009817552 [1,0,0,0,0,1|2,0,0]=4 1599 B12R0.52 CC(O)CCN(CCO)CC(=O)O 269956a_100000747938_100012276601 [0,0,0,0,0,2|2,0,0]=4 1600 B12R0.52 CCCC(CC(C)C)OCC(=O)N 34a_100011351045_100000187820 [0,0,0,0,0,2|2,0,0]=4 1601 B12R0.52 CCCC(CC(C)C)OCC(=O)N 7a_100011351045_100000187820 [0,0,0,0,0,2|2,0,0]=4 1602 B12R0.52 CCCC(CC(C)C)OCC(=O)[O-] 34a_100011351045_100020667443 [0,0,0,0,0,2|1,0,1]=4 1603 B12R0.397 C=C(C)CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730704 [0,0,0,0,0,2|1,0,1]=4 1604 B12R0.397 CCCC(OCCC(C)C)C(=O)N 34a_100011626294_100000210312 [0,0,0,0,0,2|2,0,0]=4 1605 B12R0.397 CCCC(OCCC(C)C)C(=O)N 7a_100011626294_100000210626 [0,0,0,0,0,2|2,0,0]=4 1606 B12R0.397 CCCC(OCCC(C)O)C(=O)N 34a_100011626294_100012276601 [0,0,0,0,0,2|1,0,0]=3 1607 B12R0.397 CCCC(OCCC(C)O)C(=O)N 7a_100011626294_100012276601 [0,0,0,0,0,2|1,0,0]=3 1608 B12R0.397 CCCC(OCOC(C)C)C(=O)N 34a_100011626294_100000709892 [0,0,0,0,0,2|2,0,0]=4 1609 B12R0.397 CCC[C@H](NCC=C(C)C)C(=O)O 269956a_100000750406_100000761012 [0,0,0,0,0,2|1,0,1]=4 1610 B12R0.397 CCC[C@H](NCCC(=O)C)C(=O)O 269956a_100000750406_100000053229 [0,0,0,0,0,2|0,0,2]=4 1611 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 2230a_100000729256_100000210312 [0,0,0,0,0,2|2,0,0]=4 1612 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)N 34a_100000729256_100000210312 [0,0,0,0,0,2|2,0,0]=4 1613 B12R0.397 CCC[C@H](NCCC(C)C)C(=O)O 269956a_100000750406_100000210312 [0,0,0,0,0,2|1,0,0]=3 1614 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 2230a_100000729256_100012276601 [0,0,0,0,0,2|1,0,0]=3 1615 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)N 34a_100000729256_100012276601 [0,0,0,0,0,2|1,0,0]=3 1616 B12R0.397 CCC[C@H](NCCC(C)O)C(=O)O 269956a_100000750406_100012276601 [0,0,0,0,0,2|0,0,0]=2 1617 B12R0.397 CCC[C@H](NCCN(C)C)C(=O)O 269956a_100000750406_100000755713 [0,0,0,0,0,2|2,0,0]=4 1618 B12R0.397 CCC[C@H](NCOC(=O)C)C(=O)O 269956a_100000750406_100000076356 [0,0,0,0,0,2|0,0,2]=4 1619 B12R0.397 CCC[C@H](NCOC(C)C)C(=O)N 2230a_100000729256_100000709892 [0,0,0,0,0,2|2,0,0]=4 1620 B12R0.397 CCC[C@H](NCOC(C)C)C(=O)N 34a_100000729256_100000709892 [0,0,0,0,0,2|2,0,0]=4 1621 B12R0.397 CCC[C@H](NCOC(C)C)C(=O)O 269956a_100000750406_100000709892 [0,0,0,0,0,2|1,0,0]=3 1622 B12R0.397 COC[C@@H](NCCC(C)C)C(=O)O 269956a_100011998655_100000210312 [0,0,0,0,0,2|2,0,0]=4 1623 B12R0.397 COC[C@@H](NCCC(C)O)C(=O)O 269956a_100011998655_100012276601 [0,0,0,0,0,2|1,0,0]=3 1624 B12R0.397 COC[C@@H](NCOC(C)C)C(=O)O 269956a_100011998655_100000709892 [0,0,0,0,0,2|2,0,0]=4 1625 B12R0.397 CSC[C@H](NCCC(C)C)C(=O)O 269956a_100011421858_100000210312 [0,0,0,0,0,2|2,0,0]=4 1626 B12R0.397 CSC[C@H](NCCC(C)O)C(=O)O 269956a_100011421858_100012276601 [0,0,0,0,0,2|1,0,0]=3 1627 B12R0.397 CSC[C@H](NCOC(C)C)C(=O)O 269956a_100011421858_100000709892 [0,0,0,0,0,2|2,0,0]=4 1628 B12R0.397 C[Se]C[C@H](NCCC(C)C)C(=O)O 269956a_100015254316_100000210312 [0,0,0,0,0,2|2,0,0]=4 1629 B12R0.397 C[Se]C[C@H](NCCC(C)O)C(=O)O 269956a_100015254316_100012276601 [0,0,0,0,0,2|1,0,0]=3 1630 B12R0.397 C[Se]C[C@H](NCOC(C)C)C(=O)O 269956a_100015254316_100000709892 [0,0,0,0,0,2|2,0,0]=4