0 B9R0.39 C=C[C@H](NC(C)C)C(=O)O 269956a_100016992060_100000210206 [0,0,0,0,0,0|2,0,1]=3 1 B9R0.39 CC(C)CC(O[13CH3])C(C)C 34a_200011219802_200025704644 [0,0,0,0,0,0|3,0,1]=4 2 B9R0.39 CC(C)CC(O[13CH3])C(C)C 7a_200011219802_200025704644 [0,0,0,0,0,0|3,0,1]=4 3 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [0,0,0,0,0,0|1,0,0]=1 5 B9R0.39 CC(C)NC(C#N)C(=O)N 2230a_100000039599_100000210206 [0,0,0,0,0,0|4,0,0]=4 6 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [0,0,0,0,0,0|3,0,0]=3 7 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 2230a_100000729942_100000210206 [0,0,0,0,0,0|4,0,0]=4 8 B9R0.39 CC(C)N[C@@H](CO)C(=O)N 34a_100000729942_100000210206 [0,0,0,0,0,0|4,0,0]=4 9 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [0,0,0,0,0,0|3,0,0]=3 10 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [0,0,0,0,0,0|3,0,0]=3 13 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [0,0,0,0,0,0|3,0,0]=3 14 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [0,0,0,0,0,0|3,0,0]=3 15 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [0,0,0,0,0,0|3,0,0]=3 16 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [0,0,0,0,0,0|3,0,0]=3 17 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [0,0,0,0,0,0|3,0,0]=3 18 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [0,0,0,0,0,0|3,0,0]=3 19 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [0,0,0,0,0,0|3,0,0]=3 20 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [0,0,0,0,0,0|4,0,0]=4 21 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [0,0,0,0,0,0|4,0,0]=4 22 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.39 CC[C@H](NC(C)C)[C@@H](C)O 2230a_100161114882_100000210206 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.39 CC[C@H](NC(C)C)[C@@H](C)O 34a_100161114882_100000210206 [0,0,0,0,0,0|3,0,1]=4 25 B9R0.39 CN[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200000210301 [0,0,0,0,0,0|3,0,1]=4 26 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [0,0,0,0,0,0|1,0,0]=1 27 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [0,0,0,0,0,0|1,0,0]=1 28 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.39 COC(CC(C)C)C(C)C 34a_200011219802_200000210301 [0,0,0,0,0,0|3,0,1]=4 30 B9R0.39 COC(CC(C)C)C(C)C 7a_200011219802_200000210301 [0,0,0,0,0,0|3,0,1]=4 31 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [0,0,0,0,0,0|2,0,0]=2 32 B9R0.39 [13CH3]N[C@@H](CC(=O)N)C(=O)N 2230a_100000143228_200025704644 [0,0,0,0,0,0|3,0,1]=4 33 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|2,0,1]=4 34 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,0,0,0,0|2,0,0]=3 38 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,0,0,0,0|2,0,0]=3 39 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,0,0,0,0|2,0,0]=3 40 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,0,0,0,0|2,0,0]=3 41 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,0,0,0,0|1,0,0]=2 46 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,0,0,0,0|1,0,0]=2 47 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|0,0,0]=1 48 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,0,0,0,0|1,0,0]=2 49 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,0,0,0,0|1,0,0]=2 50 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|0,0,0]=1 51 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|3,0,0]=4 52 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|3,0,0]=4 53 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|3,0,0]=4 54 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|3,0,0]=4 55 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,0,0,0,0|3,0,0]=4 57 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,0,0,0,0,0|3,0,0]=4 60 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,0,0,0,0,0|1,0,0]=2 61 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,0,0,0,0,0|1,0,0]=2 62 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,0,0,0,0,0|1,0,0]=2 63 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,0,0,0,0,0|1,0,0]=2 64 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,0,0,0,0,0|1,0,0]=2 65 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,0,0,0,0,0|1,0,0]=2 66 B8R0.16 C#CC(CC(C)C)OC 34a_100011215986_200000210301 [1,0,0,0,0,0|2,0,1]=4 67 B8R0.16 C#CC(CC(C)C)OC 7a_100011215986_200000210301 [1,0,0,0,0,0|2,0,1]=4 68 B8R0.16 C#CC(CC(C)C)O[13CH3] 34a_100011215986_200025704644 [1,0,0,0,0,0|2,0,1]=4 69 B8R0.16 C#CC(CC(C)C)O[13CH3] 7a_100011215986_200025704644 [1,0,0,0,0,0|2,0,1]=4 70 B8R0.16 C=CC(CC(C)C)OC 34a_100012186643_200000210301 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.16 C=CC(CC(C)C)OC 7a_100012186643_200000210301 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.16 C=CC(CC(C)C)O[13CH3] 34a_100012186643_200025704644 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.16 C=CC(CC(C)C)O[13CH3] 7a_100012186643_200025704644 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.16 C=CC(CC)OC(C)C 34a_100000766422_100000210206 [1,0,0,0,0,0|3,0,0]=4 75 B8R0.16 C=CC(CC)OC(C)C 7a_100000766422_100000210206 [1,0,0,0,0,0|3,0,0]=4 76 B8R0.16 CC(C)CC(C#N)N[13CH3] 2230a_100000741378_200025704644 [1,0,0,0,0,0|1,0,1]=3 77 B8R0.16 CC(C)CC(C#N)O[13CH3] 34a_200011294978_200025704644 [1,0,0,0,0,0|2,0,1]=4 78 B8R0.16 CC(C)CC(C#N)O[13CH3] 7a_200011294978_200025704644 [1,0,0,0,0,0|2,0,1]=4 79 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 2230a_100011830311_200025704644 [1,0,0,0,0,0|0,0,1]=2 80 B8R0.16 CC(C)C[C@@H](CO)N[13CH3] 34a_100011830311_200025704644 [1,0,0,0,0,0|0,0,1]=2 81 B8R0.16 CC(C)NC(C=O)C=O 2230a_100138425928_100000736813 [1,0,0,0,0,0|3,0,0]=4 82 B8R0.16 CC(C)NC(C=O)C=O 34a_100138425928_100000736813 [1,0,0,0,0,0|3,0,0]=4 83 B8R0.16 CC(C)OC(C=O)C=O 34a_100000212225_100000736813 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.16 CC(C)SC(C=O)C=O 62a_100000210206_100000736813 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.16 CC(C)SC(C=O)C=O 62a_100000736813_100000210206 [1,0,0,0,0,0|3,0,0]=4 86 B8R0.16 CC[C@@H](CO)NC(C)C 2230a_100000709445_100000210206 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.16 CNC(C#N)CC(C)C 2230a_100000741378_200000210301 [1,0,0,0,0,0|1,0,1]=3 88 B8R0.16 CN[C@H](CO)CC(C)C 2230a_100011830311_200000210301 [1,0,0,0,0,0|0,0,1]=2 89 B8R0.16 CN[C@H](CO)CC(C)C 34a_100011830311_200000210301 [1,0,0,0,0,0|0,0,1]=2 90 B8R0.16 COC(C#N)CC(C)C 34a_200011294978_200000210301 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.16 COC(C#N)CC(C)C 7a_200011294978_200000210301 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.23 CC(=O)C(C)CC(C)C 1458a_100000070787_100000731052 [1,0,0,0,0,0|1,0,0]=2 93 B8R0.23 CC(=O)C(C)CN(C)C 1458a_200015186601_200000210301 [1,0,0,0,0,0|2,0,0]=3 94 B8R0.23 CC(=O)C(C)NC(C)C 2230a_100138425928_100009814033 [1,0,0,0,0,0|2,0,0]=3 95 B8R0.23 CC(=O)C(C)OC(C)C 34a_100000212229_100000210206 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.23 CC(=O)C(C)SC(C)C 62a_100000210206_100009814033 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.23 CC(=O)C(C)SC(C)C 62a_100009814033_100000210206 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.23 CC(=O)N(C)CC(C)C 11a_100000747067_100015343762 [1,0,0,0,0,0|2,0,0]=3 99 B8R0.23 CC(=O)N(C)CC(C)C 1626a_100000747067_100015343762 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.23 CC(=O)N(C)CC(C)C 240690a_100000747067_100015343762 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.23 CC(=O)N(C)CC(C)C 527a_100000747067_100103153847 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.23 CC(=O)N(C)CC(C)O 240690a_100000227577_100015343762 [1,0,0,0,0,0|3,0,0]=4 103 B8R0.23 CC(=O)N(C)CC(C)O 527a_100000227577_100103153847 [1,0,0,0,0,0|3,0,0]=4 104 B8R0.23 CC(=O)[C@@H](O)CC(C)C 1458a_100012027011_200000210301 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.23 CC(C)CC(C)N(C)C 2230a_100000745462_200000210301 [1,0,0,0,0,0|3,0,0]=4 106 B8R0.23 CC(C)CC(C)N(C)C 2230a_100102631434_100000731052 [1,0,0,0,0,0|3,0,0]=4 107 B8R0.23 CC(C)CC(C)N(C)C 269982a_100000745462_200000210301 [1,0,0,0,0,0|3,0,0]=4 108 B8R0.23 CC(C)CC(C)N(C)C 269982a_100102631434_100000731052 [1,0,0,0,0,0|3,0,0]=4 109 B8R0.23 CC(C)CC(C)N(C)[13CH3] 2230a_100000745462_200025704644 [1,0,0,0,0,0|3,0,0]=4 110 B8R0.23 CC(C)CC(C)N(C)[13CH3] 269982a_100000745462_200025704644 [1,0,0,0,0,0|3,0,0]=4 111 B8R0.23 CC(C)C[C@H](O)C(=O)[13CH3] 1458a_100012027011_200025704644 [1,0,0,0,0,0|2,0,0]=3 112 B8R0.23 CC(C)NC(C)C(=O)N 2230a_100138425928_100000702099 [1,0,0,0,0,0|2,0,0]=3 113 B8R0.23 CC(C)NC(C)C(=O)N 34a_100138425928_100000702099 [1,0,0,0,0,0|2,0,0]=3 114 B8R0.23 CC(C)NC(F)C(=O)N 2230a_100138425928_100009813875 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.23 CC(C)NC(F)C(=O)N 34a_100138425928_100009813875 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.23 CC(C)NC(F)C(=O)[O-] 34a_100138425928_100020610796 [1,0,0,0,0,0|2,0,1]=4 117 B8R0.23 CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000210206 [1,0,0,0,0,0|1,0,0]=2 118 B8R0.23 CC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000210206 [1,0,0,0,0,0|2,0,0]=3 119 B8R0.23 CC(C)N[C@H](C)C(=O)N 34a_100000119354_100000210206 [1,0,0,0,0,0|2,0,0]=3 120 B8R0.23 CC(C)OC(C)C(=O)N 34a_100000212225_100000702099 [1,0,0,0,0,0|2,0,0]=3 121 B8R0.23 CC(C)OC(F)C(=O)N 34a_100000212225_100009813875 [1,0,0,0,0,0|3,0,0]=4 122 B8R0.23 CC(C)OC(F)C(=O)[O-] 34a_100000212225_100020610796 [1,0,0,0,0,0|2,0,1]=4 123 B8R0.23 CC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000210206 [1,0,0,0,0,0|1,0,1]=3 124 B8R0.23 CC(C)O[C@H](C)C(=O)N 34a_100000731257_100000210206 [1,0,0,0,0,0|2,0,0]=3 125 B8R0.23 CC(C)O[C@H](C)C(=O)N 7a_100000731257_100000210206 [1,0,0,0,0,0|2,0,0]=3 126 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000210206_100000702099 [1,0,0,0,0,0|2,0,0]=3 127 B8R0.23 CC(C)SC(C)C(=O)N 62a_100000702099_100000210206 [1,0,0,0,0,0|2,0,0]=3 128 B8R0.23 CC(C)SC(F)C(=O)N 62a_100000210206_100009813875 [1,0,0,0,0,0|3,0,0]=4 129 B8R0.23 CC(C)SC(F)C(=O)N 62a_100009813875_100000210206 [1,0,0,0,0,0|3,0,0]=4 130 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100000210206_100020610796 [1,0,0,0,0,0|2,0,1]=4 131 B8R0.23 CC(C)SC(F)C(=O)[O-] 62a_100020610796_100000210206 [1,0,0,0,0,0|2,0,1]=4 132 B8R0.23 CC(CN(C)C)C(=O)[13CH3] 1458a_200015186601_200025704644 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [0,1,0,0,0,0|3,0,0]=4 134 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [0,1,0,0,0,0|3,0,0]=4 135 B10R0.23 CC(C)C[C@H](NCF)C(=O)N 34a_100016989234_100015361967 [0,1,0,0,0,0|1,0,0]=2 136 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [0,1,0,0,0,0|3,0,0]=4 137 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [0,1,0,0,0,0|3,0,0]=4 138 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,1,0,0,0,0|3,0,0]=4 139 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,1,0,0,0,0|3,0,0]=4 140 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,1,0,0,0,0|1,0,0]=2 142 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,1,0,0,0,0|1,0,0]=2 143 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,0|2,0,0]=3 144 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,1,0,0,0,0|2,0,0]=3 145 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,1,0,0,0,0|2,0,0]=3 146 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,1,0,0,0,0|2,0,0]=3 147 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,1,0,0,0,0|2,0,0]=3 148 B10R0.53 C#CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_200000035995 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.53 C=CC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100011215867 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.53 C=C[C@H](NC(C)CC)C(=O)O 269956a_100016992060_100000758301 [0,1,0,0,0,0|2,0,1]=4 151 B10R0.53 C=C[C@H](NC(C)OC)C(=O)O 269956a_100016992060_100009879195 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.53 C=C[C@H](N[C@H](C)CO)C(=O)O 269956a_100016992060_100016084084 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [0,1,0,0,0,0|3,0,0]=4 154 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [0,1,0,0,0,0|3,0,0]=4 155 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [0,1,0,0,0,0|3,0,0]=4 156 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [0,1,0,0,0,0|3,0,0]=4 157 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [0,1,0,0,0,0|2,0,0]=3 158 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [0,1,0,0,0,0|3,0,0]=4 159 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [0,1,0,0,0,0|3,0,0]=4 160 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [0,1,0,0,0,0|3,0,0]=4 161 B10R0.53 CCC(NC(C)CO)C(=O)N 2230a_100000733705_100012180447 [0,1,0,0,0,0|3,0,0]=4 162 B10R0.53 CCC(NC(C)CO)C(=O)N 34a_100000733705_100012180447 [0,1,0,0,0,0|3,0,0]=4 163 B10R0.53 CCC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000750255 [0,1,0,0,0,0|3,0,0]=4 164 B10R0.53 CCC(OC(C)CF)C(=O)N 34a_100016041109_100000750255 [0,1,0,0,0,0|3,0,0]=4 165 B10R0.53 CCC(OC(C)CF)C(=O)N 7a_100016041109_100000750255 [0,1,0,0,0,0|3,0,0]=4 166 B10R0.53 CCC(OC(C)CN)C(=O)N 34a_100000210904_100000750255 [0,1,0,0,0,0|3,0,0]=4 167 B10R0.53 CCC(SC(C)CO)C(=O)N 62a_100012180447_100000750255 [0,1,0,0,0,0|3,0,0]=4 168 B10R0.53 CCC(SC(C)OC)C(=O)N 62a_100000750255_100009879195 [0,1,0,0,0,0|3,0,0]=4 169 B10R0.53 CCC(SC(C)OC)C(=O)N 62a_100009879195_100000750255 [0,1,0,0,0,0|3,0,0]=4 170 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100000750255_100016084084 [0,1,0,0,0,0|3,0,0]=4 171 B10R0.53 CCC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000750255 [0,1,0,0,0,0|3,0,0]=4 172 B10R0.53 CC[C@@H](NC(C)C#N)C(=O)O 269956a_100000747097_100000184139 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [0,1,0,0,0,0|2,0,0]=3 175 B10R0.53 COC(C)NC(CO)C(=O)O 269956a_100000187304_100009879195 [0,1,0,0,0,0|3,0,0]=4 176 B10R0.53 C[C@H](CO)NC(CO)C(=O)O 269956a_100000187304_100016084084 [0,1,0,0,0,0|3,0,0]=4 177 B10R0.54 C=CC(=O)N(CC)CC(C)C 1626a_100000738554_100000185746 [0,1,0,0,0,0|3,0,0]=4 178 B10R0.54 C=CC(=O)N(CC)CC(C)C 240690a_100000738554_200121576911 [0,1,0,0,0,0|3,0,0]=4 179 B10R0.54 CCC(=O)C(CC)OC(C)C 34a_200011218131_100000210206 [0,1,0,0,0,0|3,0,0]=4 180 B10R0.54 CCC(=O)C(CC)OC(C)C 7a_200011218131_100000210206 [0,1,0,0,0,0|3,0,0]=4 181 B10R0.54 CCC(=O)N(CC)CC(C)C 11a_100000738554_100000210414 [0,1,0,0,0,0|3,0,0]=4 182 B10R0.54 CCC(=O)N(CC)CC(C)C 1626a_100000738554_100000210414 [0,1,0,0,0,0|3,0,0]=4 183 B10R0.54 CCC(=O)N(CC)CC(C)C 240690a_100000738554_100000210414 [0,1,0,0,0,0|3,0,0]=4 184 B10R0.54 CCC(=O)N(CC)CC(C)C 527a_100000738554_100000210414 [0,1,0,0,0,0|3,0,0]=4 185 B10R0.54 CCC(NC(C)C)C(=O)OC 2230a_100138425928_100000235869 [0,1,0,0,0,0|2,0,0]=3 186 B10R0.54 CCC(NC(C)C)C(=O)OC 34a_100138425928_100000235869 [0,1,0,0,0,0|2,0,0]=3 187 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000212225_100000235869 [0,1,0,0,0,0|2,0,0]=3 188 B10R0.54 CCC(OC(C)C)C(=O)OC 34a_100000695916_100000210206 [0,1,0,0,0,0|2,0,0]=3 189 B10R0.54 CCC(OC(C)C)C(=O)OC 7a_100000695916_100000210206 [0,1,0,0,0,0|2,0,0]=3 190 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000210206_100000235869 [0,1,0,0,0,0|2,0,0]=3 191 B10R0.54 CCC(SC(C)C)C(=O)OC 62a_100000235869_100000210206 [0,1,0,0,0,0|2,0,0]=3 192 B10R0.54 CCN(CC(C)C)C(=O)CO 240690a_100000738554_100000210174 [0,1,0,0,0,0|2,0,0]=3 193 B10R0.54 CCN(CC(C)C)C(=O)CO 527a_100000738554_100000210174 [0,1,0,0,0,0|2,0,0]=3 194 B10R0.54 CCN(CC(C)C)C(=O)NC 2708a_100102657272_100000738554 [0,1,0,0,0,0|3,0,0]=4 195 B10R0.54 CCN(CC(C)C)C(=O)NC 273464a_100102657272_100000738554 [0,1,0,0,0,0|3,0,0]=4 196 B10R0.54 CCN(C[C@H](C)O)C(=O)CO 240690a_100000729506_100000210174 [0,1,0,0,0,0|3,0,0]=4 197 B10R0.54 CCN(C[C@H](C)O)C(=O)CO 527a_100000729506_100000210174 [0,1,0,0,0,0|3,0,0]=4 198 B10R0.54 CC[C@H](NC(C)C)C(=O)NC 2230a_106657271573_100000210206 [0,1,0,0,0,0|3,0,0]=4 199 B10R0.54 CC[C@H](NC(C)C)C(=O)NC 34a_106657271573_100000210206 [0,1,0,0,0,0|3,0,0]=4 200 B10R0.54 COC(=O)C(C=O)NC(C)C 34a_100138425928_100000046368 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.54 COC(=O)C(C=O)OC(C)C 34a_100000212225_100000046368 [0,1,0,0,0,0|3,0,0]=4 202 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000046368_100000210206 [0,1,0,0,0,0|3,0,0]=4 203 B10R0.54 COC(=O)C(C=O)SC(C)C 62a_100000210206_100000046368 [0,1,0,0,0,0|3,0,0]=4 204 B10R0.54 COC(=O)C(CN)OC(C)C 34a_100000695228_100000210206 [0,1,0,0,0,0|3,0,0]=4 205 B10R0.54 COC(=O)C(CO)NC(C)C 34a_100138425928_100012276630 [0,1,0,0,0,0|3,0,0]=4 206 B10R0.54 COC(=O)C(CO)OC(C)C 34a_100000212225_100012276630 [0,1,0,0,0,0|3,0,0]=4 207 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100000210206_100012276630 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.54 COC(=O)C(CO)SC(C)C 62a_100012276630_100000210206 [0,1,0,0,0,0|3,0,0]=4 209 B10R0.54 COC(=O)C(NC(C)C)OC 34a_100138425928_100000101307 [0,1,0,0,0,0|2,0,0]=3 210 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000036821_100000210206 [0,1,0,0,0,0|2,0,0]=3 211 B10R0.54 COC(=O)C(OC)OC(C)C 34a_100000212225_100000101307 [0,1,0,0,0,0|2,0,0]=3 212 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000101307_100000210206 [0,1,0,0,0,0|2,0,0]=3 213 B10R0.54 COC(=O)C(OC)SC(C)C 62a_100000210206_100000101307 [0,1,0,0,0,0|2,0,0]=3 214 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 34a_100014169393_200000210301 [0,1,0,0,0,0|1,0,0]=2 215 B10R0.54 COC(=O)[C@@H](CC(C)C)OC 7a_100014169393_200000210301 [0,1,0,0,0,0|1,0,0]=2 216 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 34a_100014169393_200025704644 [0,1,0,0,0,0|1,0,0]=2 217 B10R0.54 COC(=O)[C@@H](CC(C)C)O[13CH3] 7a_100014169393_200025704644 [0,1,0,0,0,0|1,0,0]=2 218 B10R0.76 CC(C)N(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210206 [0,1,0,0,0,0|3,0,0]=4 219 B10R0.76 CCC(C(=O)N)C(=O)C(C)C 1458a_100000210198_100000750255 [0,1,0,0,0,0|2,0,1]=4 220 B10R0.76 CCC(C(=O)N)N(C)C(C)C 269982a_200000211004_100000750255 [0,1,0,0,0,0|3,0,0]=4 221 B10R0.76 CCN(C(=O)C)C(C)C(C)C 11a_100000746363_100015343762 [0,1,0,0,0,0|3,0,0]=4 222 B10R0.76 CCN(C(=O)C)C(C)C(C)C 1626a_100000746363_100015343762 [0,1,0,0,0,0|3,0,0]=4 223 B10R0.76 CCN(C(=O)C)C(C)C(C)C 240690a_100000746363_100015343762 [0,1,0,0,0,0|3,0,0]=4 224 B10R0.76 CCN(C(=O)C)C(C)C(C)C 527a_100000746363_100103153847 [0,1,0,0,0,0|3,0,0]=4 225 B10R0.76 CC[C@@H](C(=O)N)N(C)C(C)C 2230a_103436537554_100000210206 [0,1,0,0,0,0|3,0,0]=4 226 B10R0.76 CC[C@@H](C(=O)N)N(C)C(C)C 269982a_103436537554_100000210206 [0,1,0,0,0,0|3,0,0]=4 227 B10R0.95 C=C[C@H](NC(C)(C)C)C(=O)O 269956a_100016992060_100000211941 [0,1,0,0,0,0|2,0,1]=4 228 B10R0.95 CC(C)(C)CC(N[13CH3])C(=O)O 269956a_100000691758_200025704644 [0,1,0,0,0,0|0,0,0]=1 229 B10R0.95 CC(C)(C)NC(CO)C(=O)O 269956a_100000187304_100000211941 [0,1,0,0,0,0|3,0,0]=4 230 B10R0.95 CC(C)(F)C[C@H](N[13CH3])C(=O)O 269956a_100016039316_200025704644 [0,1,0,0,0,0|0,0,0]=1 231 B10R0.95 CCC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000750255 [0,1,0,0,0,0|3,0,0]=4 232 B10R0.95 CCC(NC(C)(C)C)C(=O)N 34a_100000733705_100000210625 [0,1,0,0,0,0|3,0,0]=4 233 B10R0.95 CCC(OC(C)(C)C)C(=O)N 34a_100015890283_100000750255 [0,1,0,0,0,0|3,0,0]=4 234 B10R0.95 CCC(OC(C)(C)C)C(=O)N 7a_100015890283_100000750255 [0,1,0,0,0,0|3,0,0]=4 235 B10R0.95 CCC(SC(C)(C)C)C(=O)N 62a_100000211941_100000750255 [0,1,0,0,0,0|3,0,0]=4 236 B10R0.95 CCC(SC(C)(C)C)C(=O)N 62a_100000750255_100000211941 [0,1,0,0,0,0|3,0,0]=4 237 B10R0.95 CCN(CC(C)(C)C)C(=O)C 11a_100000732750_100015343762 [0,1,0,0,0,0|3,0,0]=4 238 B10R0.95 CCN(CC(C)(C)C)C(=O)C 1626a_100000732750_100015343762 [0,1,0,0,0,0|3,0,0]=4 239 B10R0.95 CCN(CC(C)(C)C)C(=O)C 527a_100000732750_100103153847 [0,1,0,0,0,0|3,0,0]=4 240 B10R0.95 CCN(CC(C)(C)O)C(=O)C 11a_100000755687_100015343762 [0,1,0,0,0,0|3,0,0]=4 241 B10R0.95 CCN(CC(C)(C)O)C(=O)C 1626a_100000755687_100015343762 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.95 CCN(CC(C)(C)O)C(=O)C 527a_100000755687_100103153847 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.95 CC[C@@H](NC(C)(C)C)C(=O)O 269956a_100000747097_100000211941 [0,1,0,0,0,0|2,0,0]=3 244 B10R0.95 CNC(CC(C)(C)C)C(=O)O 269956a_100000691758_200000210301 [0,1,0,0,0,0|0,0,0]=1 245 B10R0.95 CNC(CC(F)(F)F)C(=O)O 269956a_100000685204_200000210301 [0,1,0,0,0,0|2,0,0]=3 246 B10R0.95 CN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_200000210301 [0,1,0,0,0,0|0,0,0]=1 247 B10R0.95 [13CH3]NC(CC(F)(F)F)C(=O)O 269956a_100000685204_200025704644 [0,1,0,0,0,0|2,0,0]=3 248 B10R0.119 CCC(C)(NC(C)C)C(=O)O 269956a_100025756313_100000210206 [0,1,0,0,0,0|2,0,0]=3 249 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000210371 [0,1,0,0,0,0|3,0,0]=4 250 B10R0.162 CC(=O)C(SC(C)C)C(=O)C 62a_100000210371_100000210206 [0,1,0,0,0,0|3,0,0]=4 251 B10R0.162 CC(=O)N(CC(C)C)C(C)C 11a_100000737641_100015343762 [0,1,0,0,0,0|3,0,0]=4 252 B10R0.162 CC(=O)N(CC(C)C)C(C)C 1626a_100000737641_100015343762 [0,1,0,0,0,0|3,0,0]=4 253 B10R0.162 CC(=O)N(CC(C)C)C(C)C 240690a_100000737641_100015343762 [0,1,0,0,0,0|3,0,0]=4 254 B10R0.162 CC(=O)N(CC(C)C)C(C)C 527a_100000737641_100103153847 [0,1,0,0,0,0|3,0,0]=4 255 B10R0.162 CC(C)NC(C(=O)N)C(C)C 34a_100138425928_100000230017 [0,1,0,0,0,0|3,0,0]=4 256 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [0,1,0,0,0,0|2,0,0]=3 257 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [0,1,0,0,0,0|2,0,0]=3 258 B10R0.162 CC(C)N[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210206 [0,1,0,0,0,0|3,0,0]=4 259 B10R0.162 CC(C)OC(C(=O)N)C(C)C 34a_100000212225_100000230017 [0,1,0,0,0,0|3,0,0]=4 260 B10R0.162 CC(C)SC(C(=O)N)C(C)C 62a_100000210206_100000230017 [0,1,0,0,0,0|3,0,0]=4 261 B10R0.162 CC(C)SC(C(=O)N)C(C)C 62a_100000230017_100000210206 [0,1,0,0,0,0|3,0,0]=4 262 B10R1.30 CNC1CC(CCC1C)C 269862a_106832991636_100000034887 [0,0,0,1,0,0|2,0,1]=4 263 B10R1.30 CNC1CC(CCC1C)C 270004a_106832991635_100000034887 [0,0,0,1,0,0|2,0,1]=4 264 B10R1.33 CNC1CC(CC1C)(C)C 270004a_106832991635_100000720090 [0,0,0,1,0,0|2,0,1]=4 265 B10R1.59 CC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_200000210301 [0,0,0,1,0,0|2,0,0]=3 266 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200000210301 [0,0,0,1,0,0|2,0,0]=3 267 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200000210301 [0,0,0,1,0,0|2,0,0]=3 268 B10R1.59 CN1C[C@@H](C[C@H]1C(=O)[13CH3])O 1458a_100015191551_200025704644 [0,0,0,1,0,0|2,0,0]=3 269 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200000210301 [0,0,0,1,0,0|2,0,0]=3 270 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200000210301 [0,0,0,1,0,0|2,0,0]=3 271 B10R1.59 CN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200000210301 [0,0,0,1,0,0|2,0,0]=3 272 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200000210301 [0,0,0,1,0,0|1,0,0]=2 273 B10R1.59 CN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200000210301 [0,0,0,1,0,0|1,0,0]=2 274 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_200025704644 [0,0,0,1,0,0|2,0,0]=3 275 B10R1.59 [13CH3]N1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_200025704644 [0,0,0,1,0,0|2,0,0]=3 276 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_200025704644 [0,0,0,1,0,0|2,0,0]=3 277 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_200025704644 [0,0,0,1,0,0|2,0,0]=3 278 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_200025704644 [0,0,0,1,0,0|2,0,0]=3 279 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_200025704644 [0,0,0,1,0,0|1,0,0]=2 280 B10R1.59 [13CH3]N1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_200025704644 [0,0,0,1,0,0|1,0,0]=2 281 B10R1.64 CC(C)NC1CCCC1=O 2230a_100138425928_100000211823 [0,0,0,1,0,0|3,0,0]=4 282 B10R1.64 CC(C)NC1CCCC1=O 34a_100138425928_100000709159 [0,0,0,1,0,0|3,0,0]=4 283 B10R1.64 CC(C)NC1CCNC1=O 2230a_100016995588_100000210206 [0,0,0,1,0,0|3,0,0]=4 284 B10R1.64 CC(C)NC1CCNC1=O 34a_100016995588_100000210206 [0,0,0,1,0,0|3,0,0]=4 285 B10R1.64 CC(C)NC1CCOC1=O 2230a_100138425928_100000211211 [0,0,0,1,0,0|2,0,0]=3 286 B10R1.64 CC(C)NC1CCOC1=O 34a_100138425928_100000211211 [0,0,0,1,0,0|2,0,0]=3 287 B10R1.64 CC(C)OC1CCCC1=O 34a_100000212225_100000709159 [0,0,0,1,0,0|3,0,0]=4 288 B10R1.64 CC(C)OC1CCCC1=O 34a_200000719330_100000210206 [0,0,0,1,0,0|3,0,0]=4 289 B10R1.64 CC(C)OC1CCOC1=O 34a_100000212225_100000211211 [0,0,0,1,0,0|2,0,0]=3 290 B10R1.64 CC(C)O[C@H]1CCNC1=O 34a_100000688343_100000210206 [0,0,0,1,0,0|3,0,0]=4 291 B10R1.64 CC(C)SC1CCCC1=O 62a_100000210206_100000211823 [0,0,0,1,0,0|3,0,0]=4 292 B10R1.64 CC(C)SC1CCCC1=O 62a_100000211823_100000210206 [0,0,0,1,0,0|3,0,0]=4 293 B10R1.64 CC(C)SC1CCOC1=O 62a_100000210206_100000211211 [0,0,0,1,0,0|2,0,0]=3 294 B10R1.64 CC(C)SC1CCOC1=O 62a_100000211211_100000210206 [0,0,0,1,0,0|2,0,0]=3 295 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|2,0,0]=3 296 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|3,0,0]=4 297 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,0|3,0,0]=4 298 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,0,0|3,0,0]=4 299 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,0|3,0,0]=4 300 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,0|3,0,0]=4 301 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,0|3,0,0]=4 302 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|2,0,0]=3 303 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,0,0|3,0,0]=4 304 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,0,0|3,0,0]=4 305 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,0,0|3,0,0]=4 306 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,0|3,0,0]=4 307 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 308 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 309 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,0,0|3,0,0]=4 310 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|3,0,0]=4 311 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,0,0|3,0,0]=4 312 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,0,0|3,0,0]=4 313 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,0,0|3,0,0]=4 314 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 315 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 316 B10R1.359 CC(=O)N1CCC(C1)(C)C 11a_100000764714_100015343762 [0,0,0,1,0,0|3,0,0]=4 317 B10R1.359 CC(=O)N1CCC(C1)(C)C 1626a_100000764714_100015343762 [0,0,0,1,0,0|3,0,0]=4 318 B10R1.359 CC(=O)N1CCC(C1)(C)C 240690a_100000764714_100015343762 [0,0,0,1,0,0|3,0,0]=4 319 B10R1.359 CC(=O)N1CCC(C1)(C)C 527a_100000764714_100103153847 [0,0,0,1,0,0|3,0,0]=4 320 B10R1.361 CC(C)N1CCC1C(=O)O 269956a_100000021838_100000210206 [0,0,0,1,0,0|2,0,0]=3 321 B10R1.442 CC(=O)C1(CC1)SC(C)C 62a_100000086384_100000210206 [0,0,0,1,0,0|3,0,0]=4 322 B10R1.442 CC(=O)C1(CC1)SC(C)C 62a_100000210206_100000086384 [0,0,0,1,0,0|3,0,0]=4 323 B10R1.442 CC(C)NC1(CC1)C(=O)N 2230a_100000687655_100000210206 [0,0,0,1,0,0|3,0,0]=4 324 B10R1.442 CC(C)NC1(CC1)C(=O)N 34a_100138425928_100010760883 [0,0,0,1,0,0|3,0,0]=4 325 B10R1.442 CC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000210206 [0,0,0,1,0,0|2,0,0]=3 326 B10R1.442 CC(C)OC1(CC1)C(=O)N 34a_100000212225_100010760883 [0,0,0,1,0,0|3,0,0]=4 327 B10R1.442 CC(C)SC1(CC1)C(=O)N 62a_100000210206_100010760883 [0,0,0,1,0,0|3,0,0]=4 328 B10R1.442 CC(C)SC1(CC1)C(=O)N 62a_100010760883_100000210206 [0,0,0,1,0,0|3,0,0]=4 329 B10R1.444 CNC1CC(CC1(C)C)C 269862a_106832991636_100000042959 [0,0,0,1,0,0|2,0,1]=4 330 B10R1.469 C=C[C@H](NC1CC1)C(=O)O 269956a_100016992060_100000211595 [0,0,0,1,0,0|2,0,1]=4 331 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000212008_100000750255 [0,0,0,1,0,0|3,0,0]=4 332 B10R1.469 CCC(NC1CC1)C(=O)N 34a_100000733705_100000211595 [0,0,0,1,0,0|3,0,0]=4 333 B10R1.469 CCC(SC1CC1)C(=O)N 62a_100000750255_100000211595 [0,0,0,1,0,0|3,0,0]=4 334 B10R1.469 CC[C@@H](NC1CC1)C(=O)O 269956a_100000747097_100000211595 [0,0,0,1,0,0|2,0,0]=3 335 B10R1.469 O=C(O)C(CO)NC1CC1 269956a_100000187304_100000211595 [0,0,0,1,0,0|3,0,0]=4 336 B8R0.18 CC(C)C(N[13CH3])C(C)C 2230a_100000690608_200025704644 [0,0,0,0,1,0|2,0,1]=4 337 B8R0.18 CC(C)C(N[13CH3])C(C)C 34a_100000690608_200025704644 [0,0,0,0,1,0|2,0,1]=4 338 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_100000230017_200025704644 [0,0,0,0,1,0|2,0,0]=3 339 B8R0.18 CC(C)C(S[13CH3])C(=O)N 62a_200025704644_100000230017 [0,0,0,0,1,0|2,0,0]=3 340 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [0,0,0,0,1,0|0,0,0]=1 341 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [0,0,0,0,1,0|1,0,0]=2 342 B8R0.18 CCC(C(=O)C)N(C)C 1458a_100000689100_200000210301 [0,0,0,0,1,0|3,0,0]=4 343 B8R0.18 CCC(C(=O)N)N(C)C 2230a_100102631434_100000750255 [0,0,0,0,1,0|3,0,0]=4 344 B8R0.18 CCC(C(=O)N)N(C)C 269982a_100102631434_100000750255 [0,0,0,0,1,0|3,0,0]=4 345 B8R0.18 CCC(C(=O)[13CH3])N(C)C 1458a_100000689100_200025704644 [0,0,0,0,1,0|3,0,0]=4 346 B8R0.18 CCN(C(=O)C)C(C)C 11a_100000223864_100015343762 [0,0,0,0,1,0|3,0,0]=4 347 B8R0.18 CCN(C(=O)C)C(C)C 1626a_100000223864_100015343762 [0,0,0,0,1,0|3,0,0]=4 348 B8R0.18 CCN(C(=O)C)C(C)C 240690a_100000223864_100015343762 [0,0,0,0,1,0|3,0,0]=4 349 B8R0.18 CCN(C(=O)C)C(C)C 527a_100000223864_100103153847 [0,0,0,0,1,0|3,0,0]=4 350 B8R0.18 CC[C@@H](C(=O)N)N(C)C 2230a_103436537554_200000210301 [0,0,0,0,1,0|3,0,0]=4 351 B8R0.18 CC[C@@H](C(=O)N)N(C)C 269982a_103436537554_200000210301 [0,0,0,0,1,0|3,0,0]=4 352 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 2230a_103436537554_200025704644 [0,0,0,0,1,0|3,0,0]=4 353 B8R0.18 CC[C@@H](C(=O)N)N(C)[13CH3] 269982a_103436537554_200025704644 [0,0,0,0,1,0|3,0,0]=4 354 B8R0.18 CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_200000210301 [0,0,0,0,1,0|3,0,0]=4 355 B8R0.18 CN([13CH3])[C@@H](CO)C(=O)O 269956a_100015362447_200025704644 [0,0,0,0,1,0|3,0,0]=4 356 B8R0.18 CNC(C(=O)N)C(C)C 34a_100102657272_100000230017 [0,0,0,0,1,0|1,0,0]=2 357 B8R0.18 CNC(C(=O)N)C(C)C 7a_106832991635_100000230017 [0,0,0,0,1,0|1,0,0]=2 358 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [0,0,0,0,1,0|1,0,0]=2 359 B8R0.18 CNC(C(C)C)C(C)C 2230a_100000690608_200000210301 [0,0,0,0,1,0|2,0,1]=4 360 B8R0.18 CNC(C(C)C)C(C)C 34a_100000690608_200000210301 [0,0,0,0,1,0|2,0,1]=4 361 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [0,0,0,0,1,0|0,0,0]=1 362 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [0,0,0,0,1,0|2,0,0]=3 363 B8R0.18 COC(C(=O)N)C(C)C 34a_100138415774_100000230017 [0,0,0,0,1,0|2,0,0]=3 364 B8R0.18 CSC(C(=O)N)C(C)C 62a_100000230017_200000210301 [0,0,0,0,1,0|2,0,0]=3 365 B8R0.18 CSC(C(=O)N)C(C)C 62a_200000210301_100000230017 [0,0,0,0,1,0|2,0,0]=3 366 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [0,0,0,0,1,0|2,0,0]=3 367 B10R0.70 CC(=O)NC(C#N)CC(C)C 11a_100000741378_100015343762 [0,0,0,0,0,1|3,0,0]=4 368 B10R0.70 CC(=O)NC(C#N)CC(C)C 1626a_100000741378_100015343762 [0,0,0,0,0,1|3,0,0]=4 369 B10R0.70 CC(=O)NC(C#N)CC(C)C 240690a_100000741378_100015343762 [0,0,0,0,0,1|3,0,0]=4 370 B10R0.70 CC(=O)NC(C#N)CC(C)C 527a_100000741378_100103153847 [0,0,0,0,0,1|3,0,0]=4 371 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 240690a_100011830311_100015343762 [0,0,0,0,0,1|3,0,0]=4 372 B10R0.70 CC(=O)N[C@H](CO)CC(C)C 527a_100011830311_100103153847 [0,0,0,0,0,1|3,0,0]=4 373 B10R0.70 CC(C)CC(CC(C)C)N[13CH3] 2230a_100000751966_200025704644 [0,0,0,0,0,1|2,0,1]=4 374 B10R0.70 CC(C)N[C@H](CO)CC(=O)O 269956a_100009816507_100000210206 [0,0,0,0,0,1|3,0,0]=4 375 B10R0.70 CCN(CC(=O)N)CC(C)C 2230a_100000738554_100000747473 [0,0,0,0,0,1|3,0,0]=4 376 B10R0.70 CCN(CC(=O)N)CC(C)C 269982a_100000738554_100000187820 [0,0,0,0,0,1|3,0,0]=4 377 B10R0.70 CCN(CC(=O)O)CC(C)C 269956a_100000746405_100000210760 [0,0,0,0,0,1|2,0,0]=3 378 B10R0.70 CCN(CC(=O)O)CC(C)O 269956a_100000746405_100011218427 [0,0,0,0,0,1|3,0,0]=4 379 B10R0.70 CCN(CC(=O)O)C[C@@H](C)O 269956a_100000746405_100009817552 [0,0,0,0,0,1|3,0,0]=4 380 B10R0.70 CCN(CC(=O)[O-])CC(C)C 269982a_100000738554_100020667443 [0,0,0,0,0,1|2,0,1]=4 381 B10R0.70 CC[C@H](CC(=O)O)NC(C)C 269956a_100016995926_100000210206 [0,0,0,0,0,1|2,0,0]=3 382 B10R0.70 CNC(CC(C)C)CC(C)C 2230a_100000751966_200000210301 [0,0,0,0,0,1|2,0,1]=4 383 B10R0.84 C=C(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748629 [0,0,0,0,0,1|1,0,2]=4 384 B10R0.84 C=C[C@H](NCC(C)C)C(=O)O 269956a_100016992060_100000210760 [0,0,0,0,0,1|1,0,1]=3 385 B10R0.84 C=C[C@H](NCC(C)O)C(=O)O 269956a_100016992060_100011218427 [0,0,0,0,0,1|2,0,1]=4 386 B10R0.84 C=C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100016992060_100009817552 [0,0,0,0,0,1|2,0,1]=4 387 B10R0.84 CC(=CCC(N[13CH3])C(=O)O)C 269956a_100102631519_200025704644 [0,0,0,0,0,1|0,0,1]=2 388 B10R0.84 CC(C)CNC(C#N)C(=O)N 2230a_100000039599_100000210760 [0,0,0,0,0,1|3,0,0]=4 389 B10R0.84 CC(C)CNC(C#N)C(=O)N 270004a_100000039599_100000210432 [0,0,0,0,0,1|3,0,0]=4 390 B10R0.84 CC(C)CNC(CO)C(=O)O 269956a_100000187304_100000210760 [0,0,0,0,0,1|2,0,0]=3 391 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 2230a_100000729942_100000210760 [0,0,0,0,0,1|3,0,0]=4 392 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_100000210432 [0,0,0,0,0,1|3,0,0]=4 393 B10R0.84 CC(C)CN[C@@H](CO)C(=O)N 34a_100000729942_100000210624 [0,0,0,0,0,1|3,0,0]=4 394 B10R0.84 CC(O)CNC(CO)C(=O)O 269956a_100000187304_100011218427 [0,0,0,0,0,1|3,0,0]=4 395 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000210953_100000750255 [0,0,0,0,0,1|2,0,0]=3 396 B10R0.84 CCC(NCC(C)C)C(=O)N 2230a_100000733705_100000210760 [0,0,0,0,0,1|2,0,0]=3 397 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000210953_100000750255 [0,0,0,0,0,1|2,0,0]=3 398 B10R0.84 CCC(NCC(C)C)C(=O)N 34a_100000733705_100000210624 [0,0,0,0,0,1|2,0,0]=3 399 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000210904_100000750255 [0,0,0,0,0,1|3,0,0]=4 400 B10R0.84 CCC(NCC(C)O)C(=O)N 2230a_100000733705_100011218427 [0,0,0,0,0,1|3,0,0]=4 401 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000210904_100000750255 [0,0,0,0,0,1|3,0,0]=4 402 B10R0.84 CCC(NCC(C)O)C(=O)N 34a_100000733705_100011218427 [0,0,0,0,0,1|3,0,0]=4 403 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 2230a_100000733705_100009817552 [0,0,0,0,0,1|3,0,0]=4 404 B10R0.84 CCC(NC[C@@H](C)O)C(=O)N 34a_100000733705_100009817552 [0,0,0,0,0,1|3,0,0]=4 405 B10R0.84 CCC(OCC(C)Br)C(=O)N 34a_100012180447_100000750255 [0,0,0,0,0,1|3,0,0]=4 406 B10R0.84 CCC(OCC(C)C)C(=O)N 34a_100000210257_100000750255 [0,0,0,0,0,1|2,0,0]=3 407 B10R0.84 CCC(OCC(C)F)C(=O)N 34a_100015925927_100000750255 [0,0,0,0,0,1|3,0,0]=4 408 B10R0.84 CCC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000750255 [0,0,0,0,0,1|3,0,0]=4 409 B10R0.84 CCC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000750255 [0,0,0,0,0,1|3,0,0]=4 410 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000210624_100000750255 [0,0,0,0,0,1|2,0,0]=3 411 B10R0.84 CCC(SCC(C)C)C(=O)N 62a_100000750255_100000210760 [0,0,0,0,0,1|2,0,0]=3 412 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100000750255_100011218427 [0,0,0,0,0,1|3,0,0]=4 413 B10R0.84 CCC(SCC(C)O)C(=O)N 62a_100011218427_100000750255 [0,0,0,0,0,1|3,0,0]=4 414 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100000750255_100009817552 [0,0,0,0,0,1|3,0,0]=4 415 B10R0.84 CCC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000750255 [0,0,0,0,0,1|3,0,0]=4 416 B10R0.84 CCN(CCC(C)C)C(=O)C 11a_100000207693_100015343762 [0,0,0,0,0,1|3,0,0]=4 417 B10R0.84 CCN(CCC(C)C)C(=O)C 1626a_100000207693_100015343762 [0,0,0,0,0,1|3,0,0]=4 418 B10R0.84 CCN(CCC(C)C)C(=O)C 240690a_100000207693_100015343762 [0,0,0,0,0,1|3,0,0]=4 419 B10R0.84 CCN(CCC(C)C)C(=O)C 527a_100000207693_100103153847 [0,0,0,0,0,1|3,0,0]=4 420 B10R0.84 CC[C@@H](NCC(C)C)C(=O)O 269956a_100000747097_100000210760 [0,0,0,0,0,1|1,0,0]=2 421 B10R0.84 CC[C@@H](NCC(C)O)C(=O)O 269956a_100000747097_100011218427 [0,0,0,0,0,1|2,0,0]=3 422 B10R0.84 CC[C@@H](NCC(F)F)C(=O)O 269956a_100000747097_100011934356 [0,0,0,0,0,1|3,0,0]=4 423 B10R0.84 CC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000747097_100009817552 [0,0,0,0,0,1|2,0,0]=3 424 B10R0.84 CC[C@H](NCC(C)C)[C@@H](C)O 2230a_100161114882_100000210760 [0,0,0,0,0,1|2,0,1]=4 425 B10R0.84 CC[C@H](NCC(C)C)[C@@H](C)O 34a_100161114882_100000210624 [0,0,0,0,0,1|2,0,1]=4 426 B10R0.84 CNC(CC=C(C)C)C(=O)O 269956a_100102631519_200000210301 [0,0,0,0,0,1|0,0,1]=2 427 B10R0.84 CNC(CC[S+](C)C)C(=O)O 269956a_100000210779_200000210301 [0,0,0,0,0,1|1,0,0]=2 428 B10R0.84 CN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_200000210301 [0,0,0,0,0,1|2,0,0]=3 429 B10R0.84 CS(=O)CC[C@H](N[13CH3])C(=O)O 269956a_100015235763_200025704644 [0,0,0,0,0,1|2,0,0]=3 430 B10R0.84 C[C@@H](O)CNC(CO)C(=O)O 269956a_100000187304_100009817552 [0,0,0,0,0,1|3,0,0]=4 431 B10R0.84 C[S+](C)CCC(N[13CH3])C(=O)O 269956a_100000210779_200025704644 [0,0,0,0,0,1|1,0,0]=2 432 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 433 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 434 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 435 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,0]=3 436 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 437 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 438 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 439 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 440 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 441 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 442 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 443 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 444 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 445 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 446 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 447 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,0]=3 448 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 449 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 450 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|2,0,0]=4 451 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|2,0,0]=4 452 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|2,0,0]=4 453 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|2,0,0]=4 454 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 455 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 456 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 457 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|2,0,0]=4 458 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|2,0,0]=4 459 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|2,0,0]=4 460 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|2,0,0]=4 461 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|2,0,0]=4 462 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|2,0,0]=4 463 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,0]=3 464 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 465 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|2,0,0]=4 466 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|2,0,0]=4 467 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 468 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 469 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|2,0,0]=4 470 B7R0.5 COC[C@H](N)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 471 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 472 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 473 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 474 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 475 B7R0.5 [13CH3]OC[C@H](N)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 476 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 477 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 478 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 479 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 480 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [2,0,0,0,0,0|1,0,1]=4 481 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [2,0,0,0,0,0|1,0,1]=4 482 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [2,0,0,0,0,0|1,0,1]=4 483 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [2,0,0,0,0,0|1,0,1]=4 484 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [2,0,0,0,0,0|0,0,1]=3 485 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [2,0,0,0,0,0|0,0,1]=3 486 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [2,0,0,0,0,0|0,0,1]=3 487 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|0,0,1]=3 488 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [2,0,0,0,0,0|1,0,1]=4 489 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [2,0,0,0,0,0|1,0,1]=4 490 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [2,0,0,0,0,0|1,0,1]=4 491 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [2,0,0,0,0,0|1,0,1]=4 492 B7R0.15 C=C[C@H](NC)C(=O)O 269956a_100016992060_200000210301 [2,0,0,0,0,0|0,0,2]=4 493 B7R0.15 C=C[C@H](N[13CH3])C(=O)O 269956a_100016992060_200025704644 [2,0,0,0,0,0|0,0,2]=4 494 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|2,0,0]=4 495 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|2,0,0]=4 496 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|2,0,0]=4 497 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [2,0,0,0,0,0|1,0,0]=3 498 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [2,0,0,0,0,0|1,0,0]=3 499 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [2,0,0,0,0,0|1,0,0]=3 500 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [2,0,0,0,0,0|1,0,0]=3 501 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [2,0,0,0,0,0|1,0,0]=3 502 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [2,0,0,0,0,0|1,0,0]=3 503 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [2,0,0,0,0,0|1,0,0]=3 504 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [2,0,0,0,0,0|2,0,0]=4 505 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [2,0,0,0,0,0|2,0,0]=4 506 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [2,0,0,0,0,0|2,0,0]=4 507 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [2,0,0,0,0,0|2,0,0]=4 508 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [2,0,0,0,0,0|2,0,0]=4 509 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [2,0,0,0,0,0|2,0,0]=4 510 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [2,0,0,0,0,0|2,0,0]=4 511 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|0,0,0]=2 512 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|0,0,0]=2 513 B7R0.15 CC[C@H](NC)[C@@H](C)O 2230a_100161114882_200000210301 [2,0,0,0,0,0|1,0,1]=4 514 B7R0.15 CC[C@H](NC)[C@@H](C)O 34a_100161114882_200000210301 [2,0,0,0,0,0|1,0,1]=4 515 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 2230a_100161114882_200025704644 [2,0,0,0,0,0|1,0,1]=4 516 B7R0.15 CC[C@H](N[13CH3])[C@@H](C)O 34a_100161114882_200025704644 [2,0,0,0,0,0|1,0,1]=4 517 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|1,0,0]=3 518 B7R0.15 CN[C@@H](CO)C(=O)N 2230a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 519 B7R0.15 CN[C@@H](CO)C(=O)N 34a_100000729942_200000210301 [2,0,0,0,0,0|2,0,0]=4 520 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|1,0,0]=3 521 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 2230a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 522 B7R0.15 [13CH3]N[C@@H](CO)C(=O)N 34a_100000729942_200025704644 [2,0,0,0,0,0|2,0,0]=4 523 B7R0.2 C=CC(C)OC(C)C 34a_100000695699_100000210206 [2,0,0,0,0,0|2,0,0]=4 524 B7R0.2 C=CC(C)SC(C)C 62a_100011215867_100000210206 [2,0,0,0,0,0|2,0,0]=4 525 B7R0.2 CC(C)CC(C)N[13CH3] 2230a_100000692259_200025704644 [2,0,0,0,0,0|0,0,1]=3 526 B7R0.2 CC(C)CC(C)O[13CH3] 34a_100000211805_200025704644 [2,0,0,0,0,0|1,0,1]=4 527 B7R0.2 CC(C)CC(C)O[13CH3] 7a_100000211805_200025704644 [2,0,0,0,0,0|1,0,1]=4 528 B7R0.2 CC(C)CC(C)S[13CH3] 62a_100000731052_200025704644 [2,0,0,0,0,0|1,0,1]=4 529 B7R0.2 CC(C)CC(C)S[13CH3] 62a_200025704644_100000731052 [2,0,0,0,0,0|1,0,1]=4 530 B7R0.2 CC(C)NC(C)CO 2230a_100138425928_100012180447 [2,0,0,0,0,0|1,0,1]=4 531 B7R0.2 CC(C)NC(C)CO 34a_100138425928_100012180447 [2,0,0,0,0,0|1,0,1]=4 532 B7R0.2 CC(C)N[C@H](C)CO 2230a_100000737577_100000210206 [2,0,0,0,0,0|1,0,1]=4 533 B7R0.2 CC(C)OC(C)CO 34a_100000212225_100012180447 [2,0,0,0,0,0|1,0,1]=4 534 B7R0.2 CC(C)SC(C)CO 62a_100012180447_100000210206 [2,0,0,0,0,0|1,0,1]=4 535 B7R0.2 CC(C)S[C@H](C)CO 62a_100000210206_100016084084 [2,0,0,0,0,0|1,0,1]=4 536 B7R0.2 CC(C)S[C@H](C)CO 62a_100016084084_100000210206 [2,0,0,0,0,0|1,0,1]=4 537 B7R0.2 CCC(=O)CC(C)C 1458a_100000210414_100000210624 [2,0,0,0,0,0|1,0,1]=4 538 B7R0.2 CCC(=O)CC(C)C 1458a_100000210554_100000210202 [2,0,0,0,0,0|1,0,1]=4 539 B7R0.2 CCC(O)CN(C)C 2230a_100102631434_100011218378 [2,0,0,0,0,0|2,0,0]=4 540 B7R0.2 CCC(O)CN(C)C 269982a_100102631434_100011218378 [2,0,0,0,0,0|2,0,0]=4 541 B7R0.2 CNC(=O)CC(C)C 11a_106832991635_100000210554 [2,0,0,0,0,0|0,0,1]=3 542 B7R0.2 CNC(=O)CC(C)C 1626a_100102657272_100000210554 [2,0,0,0,0,0|0,0,1]=3 543 B7R0.2 CNC(=O)CC(C)C 240690a_100102657272_100000210554 [2,0,0,0,0,0|0,0,1]=3 544 B7R0.2 CNC(=O)CC(C)C 527a_100102657272_100000210554 [2,0,0,0,0,0|0,0,1]=3 545 B7R0.2 CNC(=O)CN(C)C 11a_106832991635_100000750896 [2,0,0,0,0,0|1,0,1]=4 546 B7R0.2 CNC(=O)CN(C)C 2230a_100000189611_200000210301 [2,0,0,0,0,0|1,0,1]=4 547 B7R0.2 CNC(=O)CN(C)C 2230a_100102631434_100000183359 [2,0,0,0,0,0|1,0,1]=4 548 B7R0.2 CNC(=O)CN(C)C 240690a_100102657272_100000750896 [2,0,0,0,0,0|1,0,1]=4 549 B7R0.2 CNC(=O)CN(C)C 269982a_100102631434_100000183359 [2,0,0,0,0,0|1,0,1]=4 550 B7R0.2 CNC(=O)CN(C)C 527a_100102657272_100000750896 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.2 CNC(=O)CN(C)[13CH3] 2230a_100000189611_200025704644 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.2 CNC(=O)C[C@@H](C)O 240690a_100102657272_100011933948 [2,0,0,0,0,0|1,0,1]=4 553 B7R0.2 CNC(=O)C[S+](C)C 11a_106832991635_200159257847 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.2 CNC(=O)C[S+](C)C 1626a_100102657272_200159257847 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.2 CNC(=O)C[S+](C)C 240690a_100102657272_200159257847 [2,0,0,0,0,0|1,0,1]=4 556 B7R0.2 CNC(=O)C[S+](C)C 527a_100102657272_200159257847 [2,0,0,0,0,0|1,0,1]=4 557 B7R0.2 CNC(=O)NC(C)C 2708a_100102657272_100138425928 [2,0,0,0,0,0|1,0,1]=4 558 B7R0.2 CNC(=O)NC(C)C 2708a_100138425928_106832991635 [2,0,0,0,0,0|1,0,1]=4 559 B7R0.2 CNC(=O)NC(C)C 273464a_100138425928_100102657272 [2,0,0,0,0,0|1,0,1]=4 560 B7R0.2 CNC(=O)NC(C)C 512a_100138425928_100102657272 [2,0,0,0,0,0|1,0,1]=4 561 B7R0.2 CNC(=O)NC(C)C 512a_106832991638_100138425928 [2,0,0,0,0,0|1,0,1]=4 562 B7R0.2 CNC(C)CC(C)C 2230a_100000692259_200000210301 [2,0,0,0,0,0|0,0,1]=3 563 B7R0.2 CNC(C)CC(C)C 2230a_106832991635_100000731052 [2,0,0,0,0,0|0,0,1]=3 564 B7R0.2 CNC(C)CC(C)C 34a_100102657272_100000731052 [2,0,0,0,0,0|0,0,1]=3 565 B7R0.2 CNC(C)CC(C)C 7a_106832991635_100000731052 [2,0,0,0,0,0|0,0,1]=3 566 B7R0.2 COC(C)CC(C)C 34a_100000211805_200000210301 [2,0,0,0,0,0|1,0,1]=4 567 B7R0.2 COC(C)CC(C)C 34a_100138415774_100000731052 [2,0,0,0,0,0|1,0,1]=4 568 B7R0.2 COC(C)CC(C)C 7a_100000211805_200000210301 [2,0,0,0,0,0|1,0,1]=4 569 B7R0.2 CSC(C)CC(C)C 62a_100000731052_200000210301 [2,0,0,0,0,0|1,0,1]=4 570 B7R0.2 CSC(C)CC(C)C 62a_200000210301_100000731052 [2,0,0,0,0,0|1,0,1]=4 571 B7R0.2 C[C@@H](CO)CN(C)C 2230a_100102631434_100000059175 [2,0,0,0,0,0|1,0,1]=4 572 B7R0.2 C[C@@H](CO)CN(C)C 269982a_100102631434_100000059175 [2,0,0,0,0,0|1,0,1]=4 573 B7R0.6 CC(=O)CCC(C)C 1458a_100000070787_100000210312 [2,0,0,0,0,0|1,0,0]=3 574 B7R0.6 CC(=O)CCC(C)C 1458a_100000181311_200000210301 [2,0,0,0,0,0|1,0,0]=3 575 B7R0.6 CC(=O)CCC(C)O 1458a_100000070787_100012276601 [2,0,0,0,0,0|2,0,0]=4 576 B7R0.6 CC(=O)CCN(C)C 269982a_100102631434_100000053229 [2,0,0,0,0,0|2,0,0]=4 577 B7R0.6 CC(=O)CC[S+](C)C 1458a_100009452791_200000210301 [2,0,0,0,0,0|2,0,0]=4 578 B7R0.6 CC(=O)COC(C)C 1458a_100000745533_200000210301 [2,0,0,0,0,0|2,0,0]=4 579 B7R0.6 CC(=O)COC(C)C 34a_100000211253_100000210206 [2,0,0,0,0,0|2,0,0]=4 580 B7R0.6 CC(=O)CSC(C)C 1458a_100000241585_200000210301 [2,0,0,0,0,0|2,0,0]=4 581 B7R0.6 CC(=O)NCC(C)C 11a_100000210953_100015343762 [2,0,0,0,0,0|2,0,0]=4 582 B7R0.6 CC(=O)NCC(C)C 1626a_100000210953_100015343762 [2,0,0,0,0,0|2,0,0]=4 583 B7R0.6 CC(=O)NCC(C)C 240690a_100000210953_100015343762 [2,0,0,0,0,0|2,0,0]=4 584 B7R0.6 CC(=O)NCC(C)C 527a_100000210953_100103153847 [2,0,0,0,0,0|2,0,0]=4 585 B7R0.6 CC(C)CCC(=O)[13CH3] 1458a_100000181311_200025704644 [2,0,0,0,0,0|1,0,0]=3 586 B7R0.6 CC(C)NCC(=O)N 2230a_100000711301_100000210206 [2,0,0,0,0,0|2,0,0]=4 587 B7R0.6 CC(C)NCC(=O)N 2230a_100138425928_100000747473 [2,0,0,0,0,0|2,0,0]=4 588 B7R0.6 CC(C)NCC(=O)N 34a_100138425928_100000187820 [2,0,0,0,0,0|2,0,0]=4 589 B7R0.6 CC(C)NCC(=O)O 269956a_100016091260_100000210206 [2,0,0,0,0,0|1,0,0]=3 590 B7R0.6 CC(C)NCC(=O)[O-] 34a_100138425928_100020667443 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.6 CC(C)OCC(=O)N 34a_100000212225_100000187820 [2,0,0,0,0,0|2,0,0]=4 592 B7R0.6 CC(C)OCC(=O)[13CH3] 1458a_100000745533_200025704644 [2,0,0,0,0,0|2,0,0]=4 593 B7R0.6 CC(C)OCC(=O)[O-] 34a_100000212225_100020667443 [2,0,0,0,0,0|1,0,1]=4 594 B7R0.6 CC(C)SCC(=O)N 62a_100000210206_100000747473 [2,0,0,0,0,0|2,0,0]=4 595 B7R0.6 CC(C)SCC(=O)N 62a_100000747473_100000210206 [2,0,0,0,0,0|2,0,0]=4 596 B7R0.6 CC(C)SCC(=O)[13CH3] 1458a_100000241585_200025704644 [2,0,0,0,0,0|2,0,0]=4 597 B7R0.6 CC(C)SCC(=O)[O-] 62a_100000210206_100020667443 [2,0,0,0,0,0|1,0,1]=4 598 B7R0.6 CC(C)SCC(=O)[O-] 62a_100020667443_100000210206 [2,0,0,0,0,0|1,0,1]=4 599 B7R0.6 CN(C)CCC(=O)N 2230a_100000730477_200000210301 [2,0,0,0,0,0|2,0,0]=4 600 B7R0.6 CN(C)CCC(=O)N 2230a_100102631434_100000744528 [2,0,0,0,0,0|2,0,0]=4 601 B7R0.6 CN(C)CCC(=O)N 269982a_100102631434_100000744528 [2,0,0,0,0,0|2,0,0]=4 602 B7R0.6 CN([13CH3])CCC(=O)N 2230a_100000730477_200025704644 [2,0,0,0,0,0|2,0,0]=4 603 B7R0.6 C[S+](C)CCC(=O)[13CH3] 1458a_100009452791_200025704644 [2,0,0,0,0,0|2,0,0]=4 604 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [1,1,0,0,0,0|2,0,0]=4 605 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [1,1,0,0,0,0|2,0,0]=4 606 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|2,0,0]=4 607 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|2,0,0]=4 608 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|2,0,0]=4 609 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|1,0,0]=3 610 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|2,0,0]=4 611 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 612 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 613 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|2,0,0]=4 614 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [1,1,0,0,0,0|1,0,0]=3 615 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [1,1,0,0,0,0|1,0,0]=3 616 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|0,0,0]=2 617 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|0,0,0]=2 618 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|0,0,0]=2 619 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [1,1,0,0,0,0|1,0,0]=3 620 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [1,1,0,0,0,0|1,0,0]=3 621 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|1,0,0]=3 622 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|1,0,0]=3 623 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|1,0,0]=3 624 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|1,0,0]=3 625 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|1,0,0]=3 626 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [1,1,0,0,0,0|2,0,0]=4 627 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [1,1,0,0,0,0|2,0,0]=4 628 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|2,0,0]=4 629 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [1,1,0,0,0,0|2,0,0]=4 630 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [1,1,0,0,0,0|2,0,0]=4 631 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [1,1,0,0,0,0|2,0,0]=4 632 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [1,1,0,0,0,0|2,0,0]=4 633 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [1,1,0,0,0,0|2,0,0]=4 634 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [1,1,0,0,0,0|2,0,0]=4 635 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [1,1,0,0,0,0|2,0,0]=4 636 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [1,1,0,0,0,0|2,0,0]=4 637 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [1,1,0,0,0,0|1,0,0]=3 639 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [1,1,0,0,0,0|2,0,0]=4 640 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [1,1,0,0,0,0|2,0,0]=4 644 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|1,0,1]=4 645 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|2,0,0]=4 646 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|2,0,0]=4 647 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|2,0,0]=4 648 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 649 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|1,0,0]=3 650 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|1,0,0]=3 651 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|2,0,0]=4 653 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|2,0,0]=4 654 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|2,0,0]=4 655 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|2,0,0]=4 656 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 657 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|1,0,0]=3 658 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 659 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|1,0,0]=3 660 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,1,0,0,0,0|2,0,0]=4 661 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,1,0,0,0,0|2,0,0]=4 662 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|2,0,0]=4 663 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|1,0,0]=3 664 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,1,0,0,0,0|2,0,0]=4 665 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|2,0,0]=4 667 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|2,0,0]=4 668 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|2,0,0]=4 669 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|1,0,0]=3 672 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|1,0,0]=3 673 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|0,0,0]=2 674 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|0,0,0]=2 675 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|1,0,0]=3 676 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|1,0,0]=3 677 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|0,0,0]=2 678 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|0,0,0]=2 679 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,1,0,0,0,0|2,0,0]=4 680 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,1,0,0,0,0|2,0,0]=4 681 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,1,0,0,0,0|2,0,0]=4 684 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,1,0,0,0,0|2,0,0]=4 685 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,1,0,0,0,0|2,0,0]=4 686 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,1,0,0,0,0|1,0,0]=3 687 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,1,0,0,0,0|1,0,0]=3 688 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,1,0,0,0,0|0,0,0]=2 689 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,1,0,0,0,0|1,0,0]=3 690 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,1,0,0,0,0|0,0,0]=2 691 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,1,0,0,0,0|1,0,0]=3 692 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,1,0,0,0,0|1,0,0]=3 693 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,1,0,0,0,0|1,0,0]=3 694 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,1,0,0,0,0|1,0,0]=3 695 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,1,0,0,0,0|1,0,0]=3 696 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,1,0,0,0,0|1,0,0]=3 697 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,1,0,0,0,0|0,0,0]=2 698 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,1,0,0,0,0|0,0,0]=2 699 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [1,1,0,0,0,0|1,0,0]=3 700 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [1,1,0,0,0,0|1,0,0]=3 701 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [1,1,0,0,0,0|1,0,0]=3 702 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [1,1,0,0,0,0|1,0,0]=3 703 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,0,0,0,0|2,0,0]=4 706 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,0,0,0,0|2,0,0]=4 708 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [1,1,0,0,0,0|2,0,0]=4 709 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 710 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 711 B9R0.14 C=CC(CC(C)C)OCF 34a_100012186643_100015361967 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.14 C=CC(CC(C)C)OCF 7a_100012186643_100015361967 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,1,0,0,0,0|0,0,1]=3 714 B9R0.14 CC(C)C[C@@H](CCO)N[13CH3] 2230a_100161151251_200025704644 [1,1,0,0,0,0|0,0,1]=3 715 B9R0.14 CC(C)C[C@@H](CO)NCF 34a_100011830311_100015361967 [1,1,0,0,0,0|0,0,1]=3 716 B9R0.14 CC=CC(CC(C)C)OC 34a_100020643927_200000210301 [1,1,0,0,0,0|2,0,0]=4 717 B9R0.14 CC=CC(CC(C)C)OC 7a_100020643927_200000210301 [1,1,0,0,0,0|2,0,0]=4 718 B9R0.14 CC=CC(CC(C)C)O[13CH3] 34a_100020643927_200025704644 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.14 CC=CC(CC(C)C)O[13CH3] 7a_100020643927_200025704644 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.14 CCC(COC)CC(C)C 34a_100012186708_200000210301 [1,1,0,0,0,0|1,0,1]=4 721 B9R0.14 CCC(COC)CC(C)C 7a_100012186708_200000210301 [1,1,0,0,0,0|1,0,1]=4 722 B9R0.14 CCC(CO[13CH3])CC(C)C 34a_100012186708_200025704644 [1,1,0,0,0,0|1,0,1]=4 723 B9R0.14 CCC(CO[13CH3])CC(C)C 7a_100012186708_200025704644 [1,1,0,0,0,0|1,0,1]=4 724 B9R0.14 CCN(CC=O)CC(C)C 2230a_100000738554_200015260668 [1,1,0,0,0,0|2,0,0]=4 725 B9R0.14 CCN(CC=O)CC(C)C 269982a_100000738554_200015260668 [1,1,0,0,0,0|2,0,0]=4 726 B9R0.14 CCNC(C#N)CC(C)C 2230a_100000741378_100000210202 [1,1,0,0,0,0|1,0,1]=4 727 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [1,1,0,0,0,0|0,0,1]=3 728 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|0,0,1]=3 729 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,1,0,0,0,0|0,0,1]=3 730 B9R0.14 CN[C@H](CCO)CC(C)C 2230a_100161151251_200000210301 [1,1,0,0,0,0|0,0,1]=3 731 B9R0.26 CCC(C)CC(CC)NC 270004a_106832991635_100000184709 [1,1,0,0,0,0|1,0,1]=4 732 B9R0.11 CC(=O)C(C)(C)OC(C)C 34a_100000747739_100000210206 [1,1,0,0,0,0|2,0,0]=4 733 B9R0.11 CC(=O)C(C)(C)OC(C)C 7a_100000747739_100000210206 [1,1,0,0,0,0|2,0,0]=4 734 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000075568_100000210206 [1,1,0,0,0,0|2,0,0]=4 735 B9R0.11 CC(=O)C(C)(C)SC(C)C 62a_100000210206_100000075568 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.11 CC(=O)C(C)(O)CC(C)C 1458a_100011434877_200000210301 [1,1,0,0,0,0|1,0,0]=3 737 B9R0.11 CC(C)CC(C)(O)C(=O)[13CH3] 1458a_100011434877_200025704644 [1,1,0,0,0,0|1,0,0]=3 738 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100000743658_100000210206 [1,1,0,0,0,0|2,0,0]=4 739 B9R0.11 CC(C)NC(C)(C)C(=O)N 2230a_100138425928_100000702505 [1,1,0,0,0,0|2,0,0]=4 740 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100000743658_100000210206 [1,1,0,0,0,0|2,0,0]=4 741 B9R0.11 CC(C)NC(C)(C)C(=O)N 34a_100138425928_100000702505 [1,1,0,0,0,0|2,0,0]=4 742 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100000212225_100000702505 [1,1,0,0,0,0|2,0,0]=4 743 B9R0.11 CC(C)OC(C)(C)C(=O)N 34a_100011626353_100000210206 [1,1,0,0,0,0|2,0,0]=4 744 B9R0.11 CC(C)OC(C)(C)C(=O)N 7a_100011626353_100000210206 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000210206_100000702505 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.11 CC(C)SC(C)(C)C(=O)N 62a_100000702505_100000210206 [1,1,0,0,0,0|2,0,0]=4 747 B9R0.11 CN(C)CC(C)(C)C(=O)N 269982a_100102631434_200009895572 [1,1,0,0,0,0|2,0,0]=4 748 B9R0.23 C#CC(=O)C(C)CC(C)C 1458a_100000211873_100000731052 [1,1,0,0,0,0|1,0,0]=3 749 B9R0.23 C=CC(=O)C(C)CC(C)C 1458a_100000185746_100000731052 [1,1,0,0,0,0|1,0,0]=3 750 B9R0.23 C=CC(=O)N(C)CC(C)C 1626a_100000747067_100000185746 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.23 C=CC(=O)N(C)CC(C)C 240690a_100000747067_200121576911 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.23 CC(C)CC(C)C(=O)CO 1458a_100000210174_100000731052 [1,1,0,0,0,0|0,0,0]=2 753 B9R0.23 CC(C)CN(C)C(=O)CO 240690a_100000747067_100000210174 [1,1,0,0,0,0|1,0,0]=3 754 B9R0.23 CC(C)CN(C)C(=O)CO 527a_100000747067_100000210174 [1,1,0,0,0,0|1,0,0]=3 755 B9R0.23 CC(C)C[C@H](O)C(=O)CF 1458a_100012027011_100015361967 [1,1,0,0,0,0|2,0,0]=4 756 B9R0.23 CC(C)OC(C)C(=O)NN 34a_100000725659_100000210206 [1,1,0,0,0,0|2,0,0]=4 757 B9R0.23 CC(CN(C)C)C(=O)CF 1458a_200015186601_100015361967 [1,1,0,0,0,0|2,0,0]=4 758 B9R0.23 CC(O)CN(C)C(=O)CO 240690a_100000227577_100000210174 [1,1,0,0,0,0|2,0,0]=4 759 B9R0.23 CC(O)CN(C)C(=O)CO 527a_100000227577_100000210174 [1,1,0,0,0,0|2,0,0]=4 760 B9R0.23 CCC(=O)C(C)CC(C)C 1458a_100000210414_100000731052 [1,1,0,0,0,0|1,0,0]=3 761 B9R0.23 CCC(=O)C(C)CN(C)C 1458a_200015186601_100000210202 [1,1,0,0,0,0|2,0,0]=4 762 B9R0.23 CCC(=O)C(C)NC(C)C 2230a_100138425928_100000742827 [1,1,0,0,0,0|2,0,0]=4 763 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000210206_100000742827 [1,1,0,0,0,0|2,0,0]=4 764 B9R0.23 CCC(=O)C(C)SC(C)C 62a_100000742827_100000210206 [1,1,0,0,0,0|2,0,0]=4 765 B9R0.23 CCC(=O)N(C)CC(C)C 11a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 766 B9R0.23 CCC(=O)N(C)CC(C)C 1626a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.23 CCC(=O)N(C)CC(C)C 240690a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 768 B9R0.23 CCC(=O)N(C)CC(C)C 527a_100000747067_100000210414 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.23 CCC(=O)[C@@H](O)CC(C)C 1458a_100012027011_100000210202 [1,1,0,0,0,0|2,0,0]=4 770 B9R0.23 CNC(=O)C(C)CN(C)C 1626a_100102657272_200015186601 [1,1,0,0,0,0|2,0,0]=4 771 B9R0.23 CNC(=O)C(C)CN(C)C 240690a_100102657272_200015186601 [1,1,0,0,0,0|2,0,0]=4 772 B9R0.23 CNC(=O)C(C)NC(C)C 2230a_100138425928_100000731044 [1,1,0,0,0,0|2,0,0]=4 773 B9R0.23 CNC(=O)C(C)NC(C)C 34a_100138425928_100000731044 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.23 CNC(=O)C(C)OC(C)C 34a_100000212225_100000731044 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000209862_100000210206 [1,1,0,0,0,0|2,0,0]=4 776 B9R0.23 CNC(=O)C(C)SC(C)C 62a_100000210206_100000731044 [1,1,0,0,0,0|2,0,0]=4 777 B9R0.23 CNC(=O)N(C)CC(C)C 2708a_100102657272_100000747067 [1,1,0,0,0,0|2,0,0]=4 778 B9R0.23 CNC(=O)N(C)CC(C)C 273464a_100102657272_100000747067 [1,1,0,0,0,0|2,0,0]=4 779 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 2230a_100000684985_100000210206 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.23 CNC(=O)[C@@H](C)NC(C)C 34a_100000684985_100000210206 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 1626a_100102657272_100012027011 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.23 CNC(=O)[C@@H](O)CC(C)C 240690a_100102657272_100012027011 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.23 COC(=O)C(C)CN(C)C 269982a_100102631434_100000698445 [1,1,0,0,0,0|1,0,0]=3 784 B9R0.23 COC(=O)C(C)NC(C)C 2230a_100138425928_100000211248 [1,1,0,0,0,0|1,0,0]=3 785 B9R0.23 COC(=O)C(C)NC(C)C 34a_100138425928_100000211248 [1,1,0,0,0,0|1,0,0]=3 786 B9R0.23 COC(=O)C(C)OC(C)C 34a_100000212225_100000211248 [1,1,0,0,0,0|1,0,0]=3 787 B9R0.23 COC(=O)C(C)OC(C)C 34a_100011215400_100000210206 [1,1,0,0,0,0|1,0,0]=3 788 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000210206_100000211248 [1,1,0,0,0,0|1,0,0]=3 789 B9R0.23 COC(=O)C(C)SC(C)C 62a_100000211248_100000210206 [1,1,0,0,0,0|1,0,0]=3 790 B9R0.42 C#CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_200000035995 [1,1,0,0,0,0|1,0,1]=4 791 B9R0.42 C=CC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100011215867 [1,1,0,0,0,0|1,0,1]=4 792 B9R0.42 CC(=O)C(C)N[C@H](C)CO 2230a_100000737577_100009814033 [1,1,0,0,0,0|2,0,0]=4 793 B9R0.42 CC(=O)C(C)OC(C)CF 7a_100016041109_100000179758 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.42 CC(=O)C(C)OC(C)CO 34a_100000212229_100012180447 [1,1,0,0,0,0|2,0,0]=4 795 B9R0.42 CC(=O)C(C)SC(C)CO 62a_100012180447_100009814033 [1,1,0,0,0,0|2,0,0]=4 796 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100009814033_100016084084 [1,1,0,0,0,0|2,0,0]=4 797 B9R0.42 CC(=O)C(C)S[C@H](C)CO 62a_100016084084_100009814033 [1,1,0,0,0,0|2,0,0]=4 798 B9R0.42 CC(C#N)N[C@@H](C)C(=O)O 269956a_100000743915_100000184139 [1,1,0,0,0,0|1,0,1]=4 799 B9R0.42 CC(CF)OC(C)C(=O)N 34a_100016041109_100000702099 [1,1,0,0,0,0|2,0,0]=4 800 B9R0.42 CC(CF)OC(C)C(=O)N 7a_100016041109_100000702099 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.42 CC(CN)OC(C)C(=O)N 34a_100000210904_100000702099 [1,1,0,0,0,0|2,0,0]=4 802 B9R0.42 CC(CO)N[C@H](C)C(=O)N 2230a_100000119354_100012180447 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.42 CC(CO)N[C@H](C)C(=O)N 34a_100000119354_100012180447 [1,1,0,0,0,0|2,0,0]=4 804 B9R0.42 CC(CO)O[C@@H](C)C(=O)[O-] 7a_217856618621_100012180447 [1,1,0,0,0,0|1,0,1]=4 805 B9R0.42 CC(CO)O[C@H](C)C(=O)N 34a_100000731257_100012180447 [1,1,0,0,0,0|2,0,0]=4 806 B9R0.42 CC(CO)O[C@H](C)C(=O)N 7a_100000731257_100012180447 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.42 CC(CO)SC(C)C(=O)N 62a_100012180447_100000702099 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.42 CC(N[C@H](C)CO)C(=O)N 2230a_100000737577_100000702099 [1,1,0,0,0,0|2,0,0]=4 809 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100000702099_100016084084 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.42 CC(S[C@H](C)CO)C(=O)N 62a_100016084084_100000702099 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.42 CCC(C)CN(C)C(=O)C 11a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 812 B9R0.42 CCC(C)CN(C)C(=O)C 1626a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.42 CCC(C)CN(C)C(=O)C 240690a_100000753921_100015343762 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.42 CCC(C)CN(C)C(=O)C 527a_100000753921_100103153847 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.42 CCC(C)NC(C)C(=O)C 2230a_100000209981_100009814033 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.42 CCC(C)NC(C)C(=O)N 2230a_100000209981_100000702099 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.42 CCC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100000758301 [1,1,0,0,0,0|1,0,0]=3 818 B9R0.42 CCC(C)N[C@H](C)C(=O)N 2230a_100000119354_100000758301 [1,1,0,0,0,0|2,0,0]=4 819 B9R0.42 CCC(C)N[C@H](C)C(=O)N 34a_100000119354_100011215416 [1,1,0,0,0,0|2,0,0]=4 820 B9R0.42 CCC(C)OC(C)C(=O)C 34a_100000212229_100011215416 [1,1,0,0,0,0|2,0,0]=4 821 B9R0.42 CCC(C)OC(C)C(=O)C 7a_100000210228_100000179758 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.42 CCC(C)OC(C)C(=O)N 7a_100000210228_100000702099 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.42 CCC(C)O[C@@H](C)C(=O)[O-] 7a_217856618621_100000758301 [1,1,0,0,0,0|1,0,1]=4 824 B9R0.42 CCC(C)O[C@H](C)C(=O)N 34a_100000731257_100011215416 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.42 CCC(C)O[C@H](C)C(=O)N 7a_100000731257_100000758301 [1,1,0,0,0,0|2,0,0]=4 826 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100000758301_100009814033 [1,1,0,0,0,0|2,0,0]=4 827 B9R0.42 CCC(C)SC(C)C(=O)C 62a_100009814033_100000758301 [1,1,0,0,0,0|2,0,0]=4 828 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000702099_100000758301 [1,1,0,0,0,0|2,0,0]=4 829 B9R0.42 CCC(C)SC(C)C(=O)N 62a_100000758301_100000702099 [1,1,0,0,0,0|2,0,0]=4 830 B9R0.42 CCN(C)CC(C)C(=O)C 1458a_200015185930_200000210301 [1,1,0,0,0,0|2,0,0]=4 831 B9R0.42 CCN(C)CC(C)C(=O)[13CH3] 1458a_200015185930_200025704644 [1,1,0,0,0,0|2,0,0]=4 832 B9R0.42 COC(C)N[C@@H](C)C(=O)O 269956a_100000743915_100009879195 [1,1,0,0,0,0|1,0,0]=3 833 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009814033_100009879195 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.42 COC(C)SC(C)C(=O)C 62a_100009879195_100009814033 [1,1,0,0,0,0|2,0,0]=4 835 B9R0.42 COC(C)SC(C)C(=O)N 62a_100000702099_100009879195 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.42 COC(C)SC(C)C(=O)N 62a_100009879195_100000702099 [1,1,0,0,0,0|2,0,0]=4 837 B9R0.42 C[C@H](CO)N[C@@H](C)C(=O)O 269956a_100000743915_100016084084 [1,1,0,0,0,0|1,0,0]=3 838 B9R0.57 CC(=O)C(C)NC(C)(C)C 2230a_100000715429_100009814033 [1,1,0,0,0,0|2,0,0]=4 839 B9R0.57 CC(=O)C(C)OC(C)(C)C 34a_100000212229_100000210625 [1,1,0,0,0,0|2,0,0]=4 840 B9R0.57 CC(=O)C(C)OC(C)(C)C 7a_100015890283_100000179758 [1,1,0,0,0,0|2,0,0]=4 841 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100000211941_100009814033 [1,1,0,0,0,0|2,0,0]=4 842 B9R0.57 CC(=O)C(C)SC(C)(C)C 62a_100009814033_100000211941 [1,1,0,0,0,0|2,0,0]=4 843 B9R0.57 CC(=O)N(C)CC(C)(C)C 11a_100000742839_100015343762 [1,1,0,0,0,0|2,0,0]=4 844 B9R0.57 CC(=O)N(C)CC(C)(C)C 1626a_100000742839_100015343762 [1,1,0,0,0,0|2,0,0]=4 845 B9R0.57 CC(=O)N(C)CC(C)(C)C 240690a_100000742839_100015343762 [1,1,0,0,0,0|2,0,0]=4 846 B9R0.57 CC(=O)N(C)CC(C)(C)C 527a_100000742839_100103153847 [1,1,0,0,0,0|2,0,0]=4 847 B9R0.57 CC(=O)N(C)CC(C)(C)O 1626a_100000755907_100015343762 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.57 CC(=O)N(C)CC(C)(C)O 240690a_100000755907_100015343762 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.57 CC(=O)N(C)CC(C)(C)O 527a_100000755907_100103153847 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.57 CC(NC(C)(C)C)C(=O)N 2230a_100000715429_100000702099 [1,1,0,0,0,0|2,0,0]=4 851 B9R0.57 CC(OC(C)(C)C)C(=O)N 34a_100015890283_100000702099 [1,1,0,0,0,0|2,0,0]=4 852 B9R0.57 CC(OC(C)(C)C)C(=O)N 7a_100015890283_100000702099 [1,1,0,0,0,0|2,0,0]=4 853 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000211941_100000702099 [1,1,0,0,0,0|2,0,0]=4 854 B9R0.57 CC(SC(C)(C)C)C(=O)N 62a_100000702099_100000211941 [1,1,0,0,0,0|2,0,0]=4 855 B9R0.57 C[C@@H](NC(C)(C)C)C(=O)N 34a_100000119354_100000210625 [1,1,0,0,0,0|2,0,0]=4 856 B9R0.57 C[C@@H](OC(C)(C)C)C(=O)N 34a_100000731257_100000210625 [1,1,0,0,0,0|2,0,0]=4 857 B9R0.57 C[C@H](NC(C)(C)C)C(=O)O 269956a_100000743915_100000211941 [1,1,0,0,0,0|1,0,0]=3 858 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000070787_100009893295 [1,1,0,0,0,0|1,0,1]=4 859 B9R0.79 CC(=O)C(C)C(=O)C(C)C 1458a_100000210198_100000179758 [1,1,0,0,0,0|1,0,1]=4 860 B9R0.79 CC(=O)C(C)N(C)C(C)C 269982a_200000211004_100009814033 [1,1,0,0,0,0|2,0,0]=4 861 B9R0.79 CC(=O)N(C)C(C)C(C)C 11a_100000228512_100015343762 [1,1,0,0,0,0|2,0,0]=4 862 B9R0.79 CC(=O)N(C)C(C)C(C)C 1626a_100000228512_100015343762 [1,1,0,0,0,0|2,0,0]=4 863 B9R0.79 CC(=O)N(C)C(C)C(C)C 240690a_100000228512_100015343762 [1,1,0,0,0,0|2,0,0]=4 864 B9R0.79 CC(=O)N(C)C(C)C(C)C 527a_100000228512_100103153847 [1,1,0,0,0,0|2,0,0]=4 865 B9R0.79 CC(C)C(=O)C(C)C(=O)N 1458a_100000210198_100000702099 [1,1,0,0,0,0|1,0,1]=4 866 B9R0.79 CC(C)N(C)C(C)C(=O)N 269982a_200000211004_100000184083 [1,1,0,0,0,0|2,0,0]=4 867 B9R0.79 CC(C)N(C)C(C)C(=O)O 269956a_100000749554_100000210206 [1,1,0,0,0,0|1,0,0]=3 868 B9R0.54 CC(=O)C(C(=O)N)C(C)C 1458a_100000070787_100000230017 [0,1,0,0,1,0|2,0,0]=4 869 B9R0.54 CC(=O)[C@H](C(C)C)N(C)C 1458a_100000687188_200000210301 [0,1,0,0,1,0|1,0,0]=3 870 B9R0.54 CC(C)C(C(=O)N)N(C)C 269982a_100102631434_100000230017 [0,1,0,0,1,0|1,0,0]=3 871 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)C 269956a_100015941355_200000210301 [0,1,0,0,1,0|0,0,0]=2 872 B9R0.54 CC(C)[C@@H](C(=O)O)N(C)[13CH3] 269956a_100015941355_200025704644 [0,1,0,0,1,0|0,0,0]=2 873 B9R0.54 CC(C)[C@@H](C(=O)[13CH3])N(C)C 1458a_100000687188_200025704644 [0,1,0,0,1,0|1,0,0]=3 874 B9R0.72 CC(C)(C)[C@@H](N[13CH3])C(=O)O 269956a_100000753415_200025704644 [0,1,0,0,1,0|0,0,0]=2 875 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 2230a_100000765447_200025704644 [0,1,0,0,1,0|1,0,0]=3 876 B9R0.72 CC(C)(C)[C@H](N[13CH3])C(=O)N 34a_100000765447_200025704644 [0,1,0,0,1,0|1,0,0]=3 877 B9R0.72 CC(C)(O)[C@@H](N[13CH3])C(=O)O 269956a_100015421311_200025704644 [0,1,0,0,1,0|0,0,0]=2 878 B9R0.72 CC(C)[C@H](N[13CH3])C(C)(C)O 2230a_100000718284_200025704644 [0,1,0,0,1,0|1,0,1]=4 879 B9R0.72 CNC(C(=O)O)C(F)(F)F 269956a_100000036200_200000210301 [0,1,0,0,1,0|2,0,0]=4 880 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_200000210301 [0,1,0,0,1,0|0,0,0]=2 881 B9R0.72 CN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_200000210301 [0,1,0,0,1,0|0,0,0]=2 882 B9R0.72 CN[C@@H](C(C)C)C(C)(C)O 2230a_100000718284_200000210301 [0,1,0,0,1,0|1,0,1]=4 883 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 2230a_100000765447_200000210301 [0,1,0,0,1,0|1,0,0]=3 884 B9R0.72 CN[C@H](C(=O)N)C(C)(C)C 34a_100000765447_200000210301 [0,1,0,0,1,0|1,0,0]=3 885 B9R0.72 [13CH3]NC(C(=O)O)C(F)(F)F 269956a_100000036200_200025704644 [0,1,0,0,1,0|2,0,0]=4 886 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 2230a_100000729261_200025704644 [0,1,0,0,1,0|1,0,0]=3 887 B9R0.76 CC(C)C(C)(N[13CH3])C(=O)N 34a_100000729261_200025704644 [0,1,0,0,1,0|1,0,0]=3 888 B9R0.76 CNC(C)(C(=O)N)C(C)C 2230a_100000729261_200000210301 [0,1,0,0,1,0|1,0,0]=3 889 B9R0.76 CNC(C)(C(=O)N)C(C)C 34a_100000729261_200000210301 [0,1,0,0,1,0|1,0,0]=3 890 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)C 1458a_100000699969_200000210301 [0,1,0,0,0,1|2,0,0]=4 891 B11R0.32 CC(=O)N[C@@H](CC(C)C)C(=O)[13CH3] 1458a_100000699969_200025704644 [0,1,0,0,0,1|2,0,0]=4 892 B11R0.32 CC(C)NC(CC(=O)O)C(C)C 269956a_100000695669_100000210206 [0,1,0,0,0,1|2,0,0]=4 893 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 1626a_100161151251_100015343762 [0,1,0,0,0,1|2,0,0]=4 894 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 240690a_100161151251_100015343762 [0,1,0,0,0,1|2,0,0]=4 895 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 527a_100161151251_100103153847 [0,1,0,0,0,1|2,0,0]=4 896 B11R0.35 CC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000210760 [0,1,0,0,0,1|2,0,0]=4 897 B11R0.91 CC(C)CC(C#N)NC(=O)CO 240690a_100000741378_100000210174 [0,1,0,0,0,1|2,0,0]=4 898 B11R0.91 CC(C)CC(C#N)NC(=O)CO 527a_100000741378_100000210174 [0,1,0,0,0,1|2,0,0]=4 899 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 240690a_100011830311_100000210174 [0,1,0,0,0,1|2,0,0]=4 900 B11R0.91 CC(C)C[C@@H](CO)NC(=O)CO 527a_100011830311_100000210174 [0,1,0,0,0,1|2,0,0]=4 901 B11R0.91 CCC(C)CN(CC)CC(=O)O 269956a_100000746405_100000748023 [0,1,0,0,0,1|2,0,0]=4 902 B11R0.91 CCC(C)N[C@H](CC)CC(=O)O 269956a_100016995926_100000758301 [0,1,0,0,0,1|2,0,0]=4 903 B11R0.91 CCN(CC(=O)O)C[C@@H](C)CO 269956a_100000746405_100000059175 [0,1,0,0,0,1|2,0,0]=4 904 B11R0.91 CCN(CC(=O)OC)CC(C)C 2230a_100000738554_100000747449 [0,1,0,0,0,1|2,0,0]=4 905 B11R0.91 CCN(CC(=O)OC)CC(C)C 269982a_100000738554_100000747449 [0,1,0,0,0,1|2,0,0]=4 906 B11R0.91 CC[C@@H](CC(=O)OC)OC(C)C 7a_200015357724_100000210206 [0,1,0,0,0,1|2,0,0]=4 907 B11R0.91 CC[C@H](C)CN(CC)CC(=O)O 269956a_100000746405_100009816398 [0,1,0,0,0,1|2,0,0]=4 908 B11R0.91 CC[C@H](CC(=O)O)NC(C)OC 269956a_100016995926_100009879195 [0,1,0,0,0,1|2,0,0]=4 909 B11R0.91 CC[C@H](CC(=O)O)N[C@H](C)CO 269956a_100016995926_100016084084 [0,1,0,0,0,1|2,0,0]=4 910 B11R0.274 CCN(CC(=O)O)CC(C)(C)C 269956a_100000746405_100011219605 [0,1,0,0,0,1|2,0,0]=4 911 B11R0.274 CCN(CC(=O)O)CC(C)(C)F 269956a_100000746405_100011997219 [0,1,0,0,0,1|2,0,0]=4 912 B11R0.274 CCN(CC(=O)O)CC(C)(C)O 269956a_100000746405_100000764493 [0,1,0,0,0,1|2,0,0]=4 913 B11R0.274 CC[C@H](CC(=O)O)NC(C)(C)C 269956a_100016995926_100000211941 [0,1,0,0,0,1|2,0,0]=4 914 B11R0.28 CC(=O)C(SCC(C)C)C(=O)C 62a_100000210371_100000210760 [0,1,0,0,0,1|2,0,0]=4 915 B11R0.28 CC(=O)C(SCC(C)C)C(=O)C 62a_100000210624_100000210371 [0,1,0,0,0,1|2,0,0]=4 916 B11R0.28 CC(C)CNC(C(=O)N)C(C)C 34a_100000210953_100000230017 [0,1,0,0,0,1|2,0,0]=4 917 B11R0.28 CC(C)CNC(C(=O)O)C(C)O 269956a_100000185852_100000210760 [0,1,0,0,0,1|1,0,0]=3 918 B11R0.28 CC(C)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210760 [0,1,0,0,0,1|1,0,0]=3 919 B11R0.28 CC(C)CN[C@H](C(=O)N)C(C)C 270004a_100000119348_100000210432 [0,1,0,0,0,1|2,0,0]=4 920 B11R0.28 CC(C)CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210760 [0,1,0,0,0,1|2,0,0]=4 921 B11R0.28 CC(C)CN[C@H](C(=O)N)[C@@H](C)O 270004a_100000003557_100000210432 [0,1,0,0,0,1|2,0,0]=4 922 B11R0.28 CC(C)COC(C(=O)N)C(C)C 34a_100000210257_100000230017 [0,1,0,0,0,1|2,0,0]=4 923 B11R0.28 CC(C)CSC(C(=O)N)C(C)C 62a_100000210624_100000230017 [0,1,0,0,0,1|2,0,0]=4 924 B11R0.28 CC(C)CSC(C(=O)N)C(C)C 62a_100000230017_100000210760 [0,1,0,0,0,1|2,0,0]=4 925 B11R0.28 CC(C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100000745019_100009817552 [0,1,0,0,0,1|2,0,0]=4 926 B11R0.28 CC(O)C(NC[C@@H](C)O)C(=O)O 269956a_100000185852_100009817552 [0,1,0,0,0,1|2,0,0]=4 927 B11R0.28 CC(O)CNC(C(=O)O)C(C)O 269956a_100000185852_100011218427 [0,1,0,0,0,1|2,0,0]=4 928 B11R0.28 CC(O)CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218427 [0,1,0,0,0,1|2,0,0]=4 929 B11R0.90 C=C[C@H](NCC(C)CC)C(=O)O 269956a_100016992060_100000748023 [0,1,0,0,0,1|1,0,1]=4 930 B11R0.90 C=C[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100016992060_100009816398 [0,1,0,0,0,1|1,0,1]=4 931 B11R0.90 C=C[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100016992060_100000059175 [0,1,0,0,0,1|1,0,1]=4 932 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100000733705_100000748023 [0,1,0,0,0,1|2,0,0]=4 933 B11R0.90 CCC(C)CNC(CC)C(=O)N 2230a_100020588543_100000750255 [0,1,0,0,0,1|2,0,0]=4 934 B11R0.90 CCC(C)CNC(CC)C(=O)N 34a_100000733705_100000748023 [0,1,0,0,0,1|2,0,0]=4 935 B11R0.90 CCC(C)CNC(CO)C(=O)O 269956a_100000187304_100000748023 [0,1,0,0,0,1|2,0,0]=4 936 B11R0.90 CCC(C)CN[C@H](CC)C(=O)O 269956a_100000747097_100000748023 [0,1,0,0,0,1|1,0,0]=3 937 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000748023_100000750255 [0,1,0,0,0,1|2,0,0]=4 938 B11R0.90 CCC(C)CSC(CC)C(=O)N 62a_100000750255_100000748023 [0,1,0,0,0,1|2,0,0]=4 939 B11R0.90 CCC(NCC(C)CO)C(=O)N 34a_100000744482_100000750255 [0,1,0,0,0,1|2,0,0]=4 940 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 2230a_100000733705_100009816398 [0,1,0,0,0,1|2,0,0]=4 941 B11R0.90 CCC(NC[C@@H](C)CC)C(=O)N 34a_100000733705_100009816398 [0,1,0,0,0,1|2,0,0]=4 942 B11R0.90 CCC(NC[C@@H](C)CO)C(=O)N 2230a_100000733705_100000059175 [0,1,0,0,0,1|2,0,0]=4 943 B11R0.90 CCC(NC[C@@H](C)CO)C(=O)N 34a_100000733705_100000059175 [0,1,0,0,0,1|2,0,0]=4 944 B11R0.90 CCC(NC[C@@H](C)OC)C(=O)N 2230a_100020591295_100000750255 [0,1,0,0,0,1|2,0,0]=4 945 B11R0.90 CCC(O)CN[C@H](CC)C(=O)O 269956a_100000747097_100011218378 [0,1,0,0,0,1|2,0,0]=4 946 B11R0.90 CCC(OCC(C)CN)C(=O)N 34a_100000744482_100000750255 [0,1,0,0,0,1|2,0,0]=4 947 B11R0.90 CCC(OCC(C)OC)C(=O)N 34a_100000690652_100000750255 [0,1,0,0,0,1|2,0,0]=4 948 B11R0.90 CCC(OC[C@@H](C)CC)C(=O)N 7a_100009816381_100000750255 [0,1,0,0,0,1|2,0,0]=4 949 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100000750255_100009816398 [0,1,0,0,0,1|2,0,0]=4 950 B11R0.90 CCC(SC[C@@H](C)CC)C(=O)N 62a_100009816398_100000750255 [0,1,0,0,0,1|2,0,0]=4 951 B11R0.90 CCC(SC[C@@H](C)CO)C(=O)N 62a_100000059175_100000750255 [0,1,0,0,0,1|2,0,0]=4 952 B11R0.90 CCC(SC[C@@H](C)CO)C(=O)N 62a_100000750255_100000059175 [0,1,0,0,0,1|2,0,0]=4 953 B11R0.90 CC[C@@H](NCC(O)CO)C(=O)O 269956a_100000747097_100011219619 [0,1,0,0,0,1|2,0,0]=4 954 B11R0.90 CC[C@@H](NC[C@@H](C)CO)C(=O)O 269956a_100000747097_100000059175 [0,1,0,0,0,1|1,0,0]=3 955 B11R0.90 CC[C@@H](NC[C@@H](O)CF)C(=O)O 269956a_100000747097_100015614560 [0,1,0,0,0,1|2,0,0]=4 956 B11R0.90 CC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100000747097_100009815848 [0,1,0,0,0,1|2,0,0]=4 957 B11R0.90 CC[C@H](C)CNC(CO)C(=O)O 269956a_100000187304_100009816398 [0,1,0,0,0,1|2,0,0]=4 958 B11R0.90 CC[C@H](C)CN[C@H](CC)C(=O)O 269956a_100000747097_100009816398 [0,1,0,0,0,1|1,0,0]=3 959 B11R0.90 C[C@@H](CO)CNC(CO)C(=O)O 269956a_100000187304_100000059175 [0,1,0,0,0,1|2,0,0]=4 960 B11R0.118 CCC(=O)C(CC)OCC(C)C 34a_200011218131_100000210624 [0,1,0,0,0,1|2,0,0]=4 961 B11R0.118 CCC(=O)C(CC)OCC(C)C 7a_200011218131_100000210760 [0,1,0,0,0,1|2,0,0]=4 962 B11R0.118 CCC(NCC(C)C)C(=O)OC 2230a_100000210953_100000235869 [0,1,0,0,0,1|1,0,0]=3 963 B11R0.118 CCC(NCC(C)C)C(=O)OC 34a_100000210953_100000235869 [0,1,0,0,0,1|1,0,0]=3 964 B11R0.118 CCC(NCC(C)O)C(=O)OC 2230a_100000210904_100000235869 [0,1,0,0,0,1|2,0,0]=4 965 B11R0.118 CCC(NCC(C)O)C(=O)OC 34a_100000210904_100000235869 [0,1,0,0,0,1|2,0,0]=4 966 B11R0.118 CCC(OCC(C)Br)C(=O)OC 34a_100012180447_100000235869 [0,1,0,0,0,1|2,0,0]=4 967 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000210257_100000235869 [0,1,0,0,0,1|1,0,0]=3 968 B11R0.118 CCC(OCC(C)C)C(=O)OC 34a_100000695916_100000210624 [0,1,0,0,0,1|1,0,0]=3 969 B11R0.118 CCC(OCC(C)C)C(=O)OC 7a_100000695916_100000210760 [0,1,0,0,0,1|1,0,0]=3 970 B11R0.118 CCC(OCC(C)F)C(=O)OC 34a_100015925927_100000235869 [0,1,0,0,0,1|2,0,0]=4 971 B11R0.118 CCC(OCC(C)O)C(=O)OC 34a_100000695916_100011218427 [0,1,0,0,0,1|2,0,0]=4 972 B11R0.118 CCC(OCC(C)O)C(=O)OC 7a_100000695916_100011218427 [0,1,0,0,0,1|2,0,0]=4 973 B11R0.118 CCC(OC[C@@H](C)Cl)C(=O)OC 34a_100016084084_100000235869 [0,1,0,0,0,1|2,0,0]=4 974 B11R0.118 CCC(OC[C@@H](C)N)C(=O)OC 34a_100000737577_100000235869 [0,1,0,0,0,1|2,0,0]=4 975 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 34a_100000695916_100009817552 [0,1,0,0,0,1|2,0,0]=4 976 B11R0.118 CCC(OC[C@@H](C)O)C(=O)OC 7a_100000695916_100009817552 [0,1,0,0,0,1|2,0,0]=4 977 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000210624_100000235869 [0,1,0,0,0,1|1,0,0]=3 978 B11R0.118 CCC(SCC(C)C)C(=O)OC 62a_100000235869_100000210760 [0,1,0,0,0,1|1,0,0]=3 979 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100000235869_100011218427 [0,1,0,0,0,1|2,0,0]=4 980 B11R0.118 CCC(SCC(C)O)C(=O)OC 62a_100011218427_100000235869 [0,1,0,0,0,1|2,0,0]=4 981 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100000235869_100009817552 [0,1,0,0,0,1|2,0,0]=4 982 B11R0.118 CCC(SC[C@@H](C)O)C(=O)OC 62a_100009817552_100000235869 [0,1,0,0,0,1|2,0,0]=4 983 B11R0.118 CCN(CCC(C)C)C(=O)CO 240690a_100000207693_100000210174 [0,1,0,0,0,1|2,0,0]=4 984 B11R0.118 CCN(CCC(C)C)C(=O)CO 527a_100000207693_100000210174 [0,1,0,0,0,1|2,0,0]=4 985 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 2230a_106657271573_100000210760 [0,1,0,0,0,1|2,0,0]=4 986 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 270004a_106657271573_100000210432 [0,1,0,0,0,1|2,0,0]=4 987 B11R0.118 CC[C@H](NCC(C)C)C(=O)NC 34a_106657271573_100000210624 [0,1,0,0,0,1|2,0,0]=4 988 B11R0.118 COC(=O)C(C=O)NCC(C)C 34a_100000210953_100000046368 [0,1,0,0,0,1|2,0,0]=4 989 B11R0.118 COC(=O)C(C=O)OCC(C)C 34a_100000210257_100000046368 [0,1,0,0,0,1|2,0,0]=4 990 B11R0.118 COC(=O)C(C=O)SCC(C)C 62a_100000046368_100000210760 [0,1,0,0,0,1|2,0,0]=4 991 B11R0.118 COC(=O)C(C=O)SCC(C)C 62a_100000210624_100000046368 [0,1,0,0,0,1|2,0,0]=4 992 B11R0.118 COC(=O)C(CN)OCC(C)C 34a_100000695228_100000210624 [0,1,0,0,0,1|2,0,0]=4 993 B11R0.118 COC(=O)C(CO)NCC(C)C 34a_100000210953_100012276630 [0,1,0,0,0,1|2,0,0]=4 994 B11R0.118 COC(=O)C(CO)OCC(C)C 34a_100000210257_100012276630 [0,1,0,0,0,1|2,0,0]=4 995 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100000210624_100012276630 [0,1,0,0,0,1|2,0,0]=4 996 B11R0.118 COC(=O)C(CO)SCC(C)C 62a_100012276630_100000210760 [0,1,0,0,0,1|2,0,0]=4 997 B11R0.118 COC(=O)C(NCC(C)C)OC 34a_100000210953_100000101307 [0,1,0,0,0,1|1,0,0]=3 998 B11R0.118 COC(=O)C(NCC(C)O)OC 34a_100000210904_100000101307 [0,1,0,0,0,1|2,0,0]=4 999 B11R0.118 COC(=O)C(OC)OCC(C)Br 34a_100012180447_100000101307 [0,1,0,0,0,1|2,0,0]=4 1000 B11R0.118 COC(=O)C(OC)OCC(C)C 34a_100000036821_100000210624 [0,1,0,0,0,1|1,0,0]=3 1001 B11R0.118 COC(=O)C(OC)OCC(C)C 34a_100000210257_100000101307 [0,1,0,0,0,1|1,0,0]=3 1002 B11R0.118 COC(=O)C(OC)OCC(C)F 34a_100015925927_100000101307 [0,1,0,0,0,1|2,0,0]=4 1003 B11R0.118 COC(=O)C(OC)OCC(C)O 34a_100000036821_100011218427 [0,1,0,0,0,1|2,0,0]=4 1004 B11R0.118 COC(=O)C(OC)OC[C@@H](C)Cl 34a_100016084084_100000101307 [0,1,0,0,0,1|2,0,0]=4 1005 B11R0.118 COC(=O)C(OC)OC[C@@H](C)N 34a_100000737577_100000101307 [0,1,0,0,0,1|2,0,0]=4 1006 B11R0.118 COC(=O)C(OC)OC[C@@H](C)O 34a_100000036821_100009817552 [0,1,0,0,0,1|2,0,0]=4 1007 B11R0.118 COC(=O)C(OC)SCC(C)C 62a_100000101307_100000210760 [0,1,0,0,0,1|1,0,0]=3 1008 B11R0.118 COC(=O)C(OC)SCC(C)C 62a_100000210624_100000101307 [0,1,0,0,0,1|1,0,0]=3 1009 B11R0.118 COC(=O)C(OC)SCC(C)O 62a_100000101307_100011218427 [0,1,0,0,0,1|2,0,0]=4 1010 B11R0.118 COC(=O)C(OC)SCC(C)O 62a_100011218427_100000101307 [0,1,0,0,0,1|2,0,0]=4 1011 B11R0.118 COC(=O)C(OC)SC[C@@H](C)O 62a_100000101307_100009817552 [0,1,0,0,0,1|2,0,0]=4 1012 B11R0.118 COC(=O)C(OC)SC[C@@H](C)O 62a_100009817552_100000101307 [0,1,0,0,0,1|2,0,0]=4 1013 B11R0.146 CC(=CCC(NCF)C(=O)O)C 269956a_100102631519_100015361967 [0,1,0,0,0,1|0,0,1]=3 1014 B11R0.146 CCCC(OCC(C)C)C(=O)N 34a_100011626294_100000210624 [0,1,0,0,0,1|2,0,0]=4 1015 B11R0.146 CCCC(OCC(C)C)C(=O)N 7a_100011626294_100000210760 [0,1,0,0,0,1|2,0,0]=4 1016 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 2230a_100000729256_100000210760 [0,1,0,0,0,1|2,0,0]=4 1017 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 34a_100000729256_100000210624 [0,1,0,0,0,1|2,0,0]=4 1018 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,1,0,0,0,1|1,0,0]=3 1019 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,1,0,0,0,1|2,0,0]=4 1020 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,1,0,0,0,1|2,0,0]=4 1021 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,1,0,0,0,1|0,0,1]=3 1022 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,1,0,0,0,1|1,0,0]=3 1023 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,1,0,0,0,1|2,0,0]=4 1024 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,1,0,0,0,1|1,0,0]=3 1025 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,1,0,0,0,1|2,0,0]=4 1026 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,1,0,0,0,1|2,0,0]=4 1027 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,1,0,0,0,1|2,0,0]=4 1028 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,1,0,0,0,1|1,0,0]=3 1029 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,1,0,0,0,1|2,0,0]=4 1030 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,1,0,0,0,1|2,0,0]=4 1031 B11R0.146 C[S+](C)CCC(NCF)C(=O)O 269956a_100000210779_100015361967 [0,1,0,0,0,1|1,0,0]=3 1032 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [0,1,0,0,0,1|1,0,0]=3 1033 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,1,0,0,0,1|2,0,0]=4 1034 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,1,0,0,0,1|2,0,0]=4 1035 B11R0.275 CCC(NC(C)C(C)C)C(=O)N 2230a_100000211541_100000750255 [0,1,0,0,0,1|2,0,0]=4 1036 B11R0.275 CCC(OC(C)C(C)C)C(=O)N 7a_100000748068_100000750255 [0,1,0,0,0,1|2,0,0]=4 1037 B11R0.282 CC(C)CN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210760 [0,1,0,0,0,1|2,0,0]=4 1038 B11R0.282 CCC(C(=O)N)C(=O)CC(C)C 1458a_100000210554_100000750255 [0,1,0,0,0,1|2,0,0]=4 1039 B11R0.282 CCC(C(=O)N)N(C)CC(C)C 2230a_100000747067_100000750255 [0,1,0,0,0,1|2,0,0]=4 1040 B11R0.282 CCC(C(=O)N)N(C)CC(C)C 269982a_100000747067_100000750255 [0,1,0,0,0,1|2,0,0]=4 1041 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(C)C 2230a_103436537554_100000210760 [0,1,0,0,0,1|2,0,0]=4 1042 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(C)C 269982a_103436537554_100000210624 [0,1,0,0,0,1|2,0,0]=4 1043 B11R0.282 CC[C@@H](C(=O)N)N(C)CC(C)C 270004a_103436537554_100000210432 [0,1,0,0,0,1|2,0,0]=4 1044 B11R0.313 C=C[C@H](NCC(C)(C)C)C(=O)O 269956a_100016992060_100011219605 [0,1,0,0,0,1|1,0,1]=4 1045 B11R0.313 C=C[C@H](NCC(C)(C)F)C(=O)O 269956a_100016992060_100011997219 [0,1,0,0,0,1|1,0,1]=4 1046 B11R0.313 C=C[C@H](NCC(C)(C)O)C(=O)O 269956a_100016992060_100000764493 [0,1,0,0,0,1|1,0,1]=4 1047 B11R0.313 CC(C)(C)CC[C@H](N[13CH3])C(=O)O 269956a_200014094532_200025704644 [0,1,0,0,0,1|0,0,0]=2 1048 B11R0.313 CC(C)(C)CNC(CO)C(=O)O 269956a_100000187304_100011219605 [0,1,0,0,0,1|2,0,0]=4 1049 B11R0.313 CC(C)(C)OC[C@H](N[13CH3])C(=O)O 269956a_100000704425_200025704644 [0,1,0,0,0,1|0,0,0]=2 1050 B11R0.313 CC(C)(C)SC[C@@H](N[13CH3])C(=O)O 269956a_100015207734_200025704644 [0,1,0,0,0,1|0,0,0]=2 1051 B11R0.313 CC(C)(F)CNC(CO)C(=O)O 269956a_100000187304_100011997219 [0,1,0,0,0,1|2,0,0]=4 1052 B11R0.313 CC(C)(O)CNC(CO)C(=O)O 269956a_100000187304_100000764493 [0,1,0,0,0,1|2,0,0]=4 1053 B11R0.313 CCC(NCC(C)(C)C)C(=O)N 2230a_100000743828_100000750255 [0,1,0,0,0,1|2,0,0]=4 1054 B11R0.313 CCC(NCC(C)(C)C)C(=O)N 34a_100000733705_100011219605 [0,1,0,0,0,1|2,0,0]=4 1055 B11R0.313 CCC(NCC(C)(C)F)C(=O)N 2230a_100020643315_100000750255 [0,1,0,0,0,1|2,0,0]=4 1056 B11R0.313 CCC(NCC(C)(C)F)C(=O)N 34a_100000733705_100011997219 [0,1,0,0,0,1|2,0,0]=4 1057 B11R0.313 CCC(NCC(C)(C)O)C(=O)N 2230a_100000751335_100000750255 [0,1,0,0,0,1|2,0,0]=4 1058 B11R0.313 CCC(NCC(C)(C)O)C(=O)N 34a_100000733705_100000764493 [0,1,0,0,0,1|2,0,0]=4 1059 B11R0.313 CCC(OCC(C)(C)F)C(=O)N 34a_100000716592_100000750255 [0,1,0,0,0,1|2,0,0]=4 1060 B11R0.313 CCC(SCC(C)(C)C)C(=O)N 62a_100000750255_100011219605 [0,1,0,0,0,1|2,0,0]=4 1061 B11R0.313 CCC(SCC(C)(C)C)C(=O)N 62a_100011219605_100000750255 [0,1,0,0,0,1|2,0,0]=4 1062 B11R0.313 CCC(SCC(C)(C)F)C(=O)N 62a_100000750255_100011997219 [0,1,0,0,0,1|2,0,0]=4 1063 B11R0.313 CCC(SCC(C)(C)F)C(=O)N 62a_100011997219_100000750255 [0,1,0,0,0,1|2,0,0]=4 1064 B11R0.313 CCC(SCC(C)(C)O)C(=O)N 62a_100000750255_100000764493 [0,1,0,0,0,1|2,0,0]=4 1065 B11R0.313 CCC(SCC(C)(C)O)C(=O)N 62a_100000764493_100000750255 [0,1,0,0,0,1|2,0,0]=4 1066 B11R0.313 CC[C@@H](NCC(C)(C)C)C(=O)O 269956a_100000747097_100011219605 [0,1,0,0,0,1|1,0,0]=3 1067 B11R0.313 CC[C@@H](NCC(C)(C)F)C(=O)O 269956a_100000747097_100011997219 [0,1,0,0,0,1|1,0,0]=3 1068 B11R0.313 CC[C@@H](NCC(C)(C)O)C(=O)O 269956a_100000747097_100000764493 [0,1,0,0,0,1|1,0,0]=3 1069 B11R0.313 CC[C@@H](NC[N+](C)(C)C)C(=O)O 269956a_100000747097_200000036245 [0,1,0,0,0,1|2,0,0]=4 1070 B11R0.313 CC[C@@H](NC[Si](C)(C)C)C(=O)O 269956a_100000747097_100000037933 [0,1,0,0,0,1|1,1,0]=4 1071 B11R0.313 CNC(CCC(F)(F)F)C(=O)O 269956a_100000698452_200000210301 [0,1,0,0,0,1|2,0,0]=4 1072 B11R0.313 CN[C@@H](CCC(C)(C)C)C(=O)O 269956a_200014094532_200000210301 [0,1,0,0,0,1|0,0,0]=2 1073 B11R0.313 CN[C@@H](COC(C)(C)C)C(=O)O 269956a_100000704425_200000210301 [0,1,0,0,0,1|0,0,0]=2 1074 B11R0.313 CN[C@H](CSC(C)(C)C)C(=O)O 269956a_100015207734_200000210301 [0,1,0,0,0,1|0,0,0]=2 1075 B11R0.313 [13CH3]NC(CCC(F)(F)F)C(=O)O 269956a_100000698452_200025704644 [0,1,0,0,0,1|2,0,0]=4 1076 B11R0.371 CCC(C)(NCC(C)C)C(=O)O 269956a_100025756313_100000210760 [0,1,0,0,0,1|1,0,0]=3 1077 B11R0.371 CCC(C)(NCC(C)O)C(=O)O 269956a_100025756313_100011218427 [0,1,0,0,0,1|2,0,0]=4 1078 B11R0.371 CCC(C)(NC[C@@H](C)O)C(=O)O 269956a_100025756313_100009817552 [0,1,0,0,0,1|2,0,0]=4 1079 B11R0.16 CC(C)(C)CC(NCF)C(=O)O 269956a_100000691758_100015361967 [0,2,0,0,0,0|0,0,0]=2 1080 B11R0.16 CC(C)(F)C[C@H](NCF)C(=O)O 269956a_100016039316_100015361967 [0,2,0,0,0,0|0,0,0]=2 1081 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [0,2,0,0,0,0|2,0,0]=4 1082 B11R0.16 CCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210202 [0,2,0,0,0,0|0,0,0]=2 1083 B11R0.16 CCNC(CC(F)(F)F)C(=O)O 269956a_100000685204_100000210202 [0,2,0,0,0,0|2,0,0]=4 1084 B11R0.16 CCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210202 [0,2,0,0,0,0|0,0,0]=2 1085 B11R0.16 COC[C@@H](NC(C)(C)C)C(=O)O 269956a_100011998655_100000211941 [0,2,0,0,0,0|2,0,0]=4 1086 B11R0.16 CSC[C@H](NC(C)(C)C)C(=O)O 269956a_100011421858_100000211941 [0,2,0,0,0,0|2,0,0]=4 1087 B11R0.16 C[Se]C[C@H](NC(C)(C)C)C(=O)O 269956a_100015254316_100000211941 [0,2,0,0,0,0|2,0,0]=4 1088 B11R0.16 O=C(O)C(CC(F)(F)F)NCF 269956a_100000685204_100015361967 [0,2,0,0,0,0|2,0,0]=4 1089 B11R0.39 CC(C)CN(CCO)C(=O)CO 240690a_100015185251_100000210174 [0,2,0,0,0,0|2,0,0]=4 1090 B11R0.39 CC(C)CN(CCO)C(=O)CO 527a_100015185251_100000210174 [0,2,0,0,0,0|2,0,0]=4 1091 B11R0.39 CCCC(NC(C)C)C(=O)OC 2230a_100138425928_200009843822 [0,2,0,0,0,0|2,0,0]=4 1092 B11R0.39 CCCC(NC(C)C)C(=O)OC 34a_100138425928_200009843822 [0,2,0,0,0,0|2,0,0]=4 1093 B11R0.39 CCCC(OC(C)C)C(=O)OC 34a_100000212225_200009843822 [0,2,0,0,0,0|2,0,0]=4 1094 B11R0.39 CCCC(SC(C)C)C(=O)OC 62a_100000210206_200009843822 [0,2,0,0,0,0|2,0,0]=4 1095 B11R0.39 CCCC(SC(C)C)C(=O)OC 62a_200009843822_100000210206 [0,2,0,0,0,0|2,0,0]=4 1096 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 34a_100014169393_100000210202 [0,2,0,0,0,0|1,0,0]=3 1097 B11R0.39 CCO[C@H](CC(C)C)C(=O)OC 7a_100014169393_100000210202 [0,2,0,0,0,0|1,0,0]=3 1098 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 34a_100014169393_100015361967 [0,2,0,0,0,0|1,0,0]=3 1099 B11R0.39 COC(=O)[C@@H](CC(C)C)OCF 7a_100014169393_100015361967 [0,2,0,0,0,0|1,0,0]=3 1100 B11R0.39 COCC(NC(C)C)C(=O)OC 34a_100138425928_100000717350 [0,2,0,0,0,0|2,0,0]=4 1101 B11R0.39 COCC(OC(C)C)C(=O)OC 34a_100000212225_100000717350 [0,2,0,0,0,0|2,0,0]=4 1102 B11R0.39 COCC(SC(C)C)C(=O)OC 62a_100000210206_100000717350 [0,2,0,0,0,0|2,0,0]=4 1103 B11R0.39 COCC(SC(C)C)C(=O)OC 62a_100000717350_100000210206 [0,2,0,0,0,0|2,0,0]=4 1104 B11R0.115 CC(C)CN(C(=O)CO)C(C)C 240690a_100000737641_100000210174 [0,2,0,0,0,0|2,0,0]=4 1105 B11R0.115 CC(C)CN(C(=O)CO)C(C)C 527a_100000737641_100000210174 [0,2,0,0,0,0|2,0,0]=4 1106 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,2,0,0,0,0|2,0,0]=4 1107 B11R0.115 CNC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100000210987 [0,2,0,0,0,0|2,0,0]=4 1108 B11R0.115 CNC(=O)C(SC(C)C)C(=O)C 62a_100000210987_100000210206 [0,2,0,0,0,0|2,0,0]=4 1109 B11R0.115 COC(=O)C(NC(C)C)C(C)C 2230a_100138425928_100000736125 [0,2,0,0,0,0|2,0,0]=4 1110 B11R0.115 COC(=O)C(NC(C)C)C(C)C 34a_100138425928_100000736125 [0,2,0,0,0,0|2,0,0]=4 1111 B11R0.115 COC(=O)C(OC(C)C)C(C)C 34a_100000212225_100000736125 [0,2,0,0,0,0|2,0,0]=4 1112 B11R0.115 COC(=O)C(SC(C)C)C(=O)C 62a_100000210206_100011215331 [0,2,0,0,0,0|2,0,0]=4 1113 B11R0.115 COC(=O)C(SC(C)C)C(=O)C 62a_100011215331_100000210206 [0,2,0,0,0,0|2,0,0]=4 1114 B11R0.115 COC(=O)C(SC(C)C)C(C)C 62a_100000210206_100000736125 [0,2,0,0,0,0|2,0,0]=4 1115 B11R0.115 COC(=O)C(SC(C)C)C(C)C 62a_100000736125_100000210206 [0,2,0,0,0,0|2,0,0]=4 1116 B11R0.115 COC(=O)[C@H](CC(C)C)N(C)C 2230a_100000734127_200000210301 [0,2,0,0,0,0|0,0,0]=2 1117 B11R0.115 COC(=O)[C@H](CC(C)C)N(C)C 269982a_100000734127_200000210301 [0,2,0,0,0,0|0,0,0]=2 1118 B11R0.115 COC(=O)[C@H](CC(C)C)N(C)[13CH3] 2230a_100000734127_200025704644 [0,2,0,0,0,0|0,0,0]=2 1119 B11R0.115 COC(=O)[C@H](CC(C)C)N(C)[13CH3] 269982a_100000734127_200025704644 [0,2,0,0,0,0|0,0,0]=2 1120 B11R0.115 COC(=O)[C@H](OC(C)C)C(C)C 34a_100009883636_100000210206 [0,2,0,0,0,0|2,0,0]=4 1121 B11R0.115 COC(=O)[C@H](OC(C)C)C(C)C 7a_100009883636_100000210206 [0,2,0,0,0,0|2,0,0]=4 1122 B11R0.115 CO[C@H](C)[C@H](NC(C)C)C(=O)O 269956a_100015335849_100000210206 [0,2,0,0,0,0|2,0,0]=4 1123 B11R0.160 C#CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000038162 [0,2,0,0,0,0|1,0,0]=3 1124 B11R0.160 C#CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000184674 [0,2,0,0,0,0|1,0,0]=3 1125 B11R0.160 C#CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000184674 [0,2,0,0,0,0|2,0,0]=4 1126 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210623 [0,2,0,0,0,0|1,0,0]=3 1127 B11R0.160 C=CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100015514636 [0,2,0,0,0,0|1,0,0]=3 1128 B11R0.160 C=CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210623 [0,2,0,0,0,0|2,0,0]=4 1129 B11R0.160 CC(C)C[C@H](NCC#N)C(=O)N 2230a_100016989234_100011215382 [0,2,0,0,0,0|1,0,0]=3 1130 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 2230a_100016989234_200015260668 [0,2,0,0,0,0|1,0,0]=3 1131 B11R0.160 CC(C)C[C@H](NCC=O)C(=O)N 34a_100016989234_200009817547 [0,2,0,0,0,0|1,0,0]=3 1132 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 2230a_100016989234_100011217306 [0,2,0,0,0,0|1,0,0]=3 1133 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 34a_100016989234_100011217306 [0,2,0,0,0,0|1,0,0]=3 1134 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 2230a_100016989234_100000211926 [0,2,0,0,0,0|1,0,0]=3 1135 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 34a_100016989234_100000211926 [0,2,0,0,0,0|1,0,0]=3 1136 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210303 [0,2,0,0,0,0|1,0,0]=3 1137 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210303 [0,2,0,0,0,0|1,0,0]=3 1138 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,2,0,0,0,0|2,0,0]=4 1139 B11R0.160 COCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000766300 [0,2,0,0,0,0|1,0,0]=3 1140 B11R0.160 COCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000766300 [0,2,0,0,0,0|2,0,0]=4 1141 B11R0.160 CS(=O)C[C@H](NCC#N)C(=O)O 269956a_100009817418_100011215382 [0,2,0,0,0,0|2,0,0]=4 1142 B11R0.160 CS(=O)C[C@H](NCC=O)C(=O)O 269956a_100009817418_200015260668 [0,2,0,0,0,0|2,0,0]=4 1143 B11R0.160 CS(=O)C[C@H](NCCF)C(=O)O 269956a_100009817418_100011217306 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.160 CS(=O)C[C@H](NCCO)C(=O)O 269956a_100009817418_100000211926 [0,2,0,0,0,0|2,0,0]=4 1145 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,2,0,0,0,0|2,0,0]=4 1146 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011218213 [0,2,0,0,0,0|1,0,0]=3 1147 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011218213 [0,2,0,0,0,0|1,0,0]=3 1148 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,2,0,0,0,0|2,0,0]=4 1150 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,2,0,0,0,0|2,0,0]=4 1151 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,2,0,0,0,0|2,0,0]=4 1152 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,2,0,0,0,0|2,0,0]=4 1153 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,2,0,0,0,0|2,0,0]=4 1154 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,2,0,0,0,0|2,0,0]=4 1155 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,2,0,0,0,0|2,0,0]=4 1156 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.236 COC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009879195 [0,2,0,0,0,0|2,0,0]=4 1158 B11R0.236 COC[C@@H](NC(C)OC)C(=O)O 269956a_100011998655_100009879195 [0,2,0,0,0,0|2,0,0]=4 1159 B11R0.236 COC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100011998655_100016084084 [0,2,0,0,0,0|2,0,0]=4 1160 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [0,2,0,0,0,0|2,0,0]=4 1161 B11R0.236 C[Se]C[C@H](N[C@H](C)CO)C(=O)O 269956a_100015254316_100016084084 [0,2,0,0,0,0|2,0,0]=4 1162 B11R0.55 CCCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000766640 [0,2,0,0,0,0|2,0,0]=4 1163 B11R0.55 CC[C@@H](NC(C)CC#N)C(=O)O 269956a_100000747097_100009813641 [0,2,0,0,0,0|2,0,0]=4 1164 B11R0.55 CC[C@@H](NC(C)CCO)C(=O)O 269956a_100000747097_100009893172 [0,2,0,0,0,0|2,0,0]=4 1165 B11R0.55 CC[C@@H](NC(C)COC)C(=O)O 269956a_100000747097_100000765312 [0,2,0,0,0,0|2,0,0]=4 1166 B11R0.88 CCC(C)NC(CC)C(=O)OC 2230a_100000209981_100000235869 [0,2,0,0,0,0|2,0,0]=4 1167 B11R0.88 CCC(C)OC(CC)C(=O)OC 34a_100000695916_100011215416 [0,2,0,0,0,0|2,0,0]=4 1168 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000210228_100000742303 [0,2,0,0,0,0|2,0,0]=4 1169 B11R0.88 CCC(C)OC(CC)C(=O)OC 7a_100000695916_100000758301 [0,2,0,0,0,0|2,0,0]=4 1170 B11R0.88 CCC(C)OC(OC)C(=O)OC 34a_100000036821_100011215416 [0,2,0,0,0,0|2,0,0]=4 1171 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000235869_100000758301 [0,2,0,0,0,0|2,0,0]=4 1172 B11R0.88 CCC(C)SC(CC)C(=O)OC 62a_100000758301_100000235869 [0,2,0,0,0,0|2,0,0]=4 1173 B11R0.88 CCC(C)SC(OC)C(=O)OC 62a_100000101307_100000758301 [0,2,0,0,0,0|2,0,0]=4 1174 B11R0.88 CCC(C)SC(OC)C(=O)OC 62a_100000758301_100000101307 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.88 CCC(N[C@H](C)CO)C(=O)OC 2230a_100000737577_100000235869 [0,2,0,0,0,0|2,0,0]=4 1176 B11R0.88 CCC(OC(C)CF)C(=O)OC 34a_100016041109_100000235869 [0,2,0,0,0,0|2,0,0]=4 1177 B11R0.88 CCC(OC(C)CF)C(=O)OC 7a_100016041109_100000742303 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.88 CCC(OC(C)CN)C(=O)OC 34a_100000210904_100000235869 [0,2,0,0,0,0|2,0,0]=4 1179 B11R0.88 CCC(OC(C)CO)C(=O)OC 34a_100000695916_100012180447 [0,2,0,0,0,0|2,0,0]=4 1180 B11R0.88 CCC(OC(C)CO)C(=O)OC 7a_100000695916_100012180447 [0,2,0,0,0,0|2,0,0]=4 1181 B11R0.88 CCC(SC(C)CO)C(=O)OC 62a_100012180447_100000235869 [0,2,0,0,0,0|2,0,0]=4 1182 B11R0.88 CCC(SC(C)OC)C(=O)OC 62a_100000235869_100009879195 [0,2,0,0,0,0|2,0,0]=4 1183 B11R0.88 CCC(SC(C)OC)C(=O)OC 62a_100009879195_100000235869 [0,2,0,0,0,0|2,0,0]=4 1184 B11R0.88 CCC(S[C@H](C)CO)C(=O)OC 62a_100000235869_100016084084 [0,2,0,0,0,0|2,0,0]=4 1185 B11R0.88 CCC(S[C@H](C)CO)C(=O)OC 62a_100016084084_100000235869 [0,2,0,0,0,0|2,0,0]=4 1186 B11R0.88 COC(=O)C(OC)OC(C)CF 34a_100016041109_100000101307 [0,2,0,0,0,0|2,0,0]=4 1187 B11R0.88 COC(=O)C(OC)OC(C)CN 34a_100000210904_100000101307 [0,2,0,0,0,0|2,0,0]=4 1188 B11R0.88 COC(=O)C(OC)OC(C)CO 34a_100000036821_100012180447 [0,2,0,0,0,0|2,0,0]=4 1189 B11R0.88 COC(=O)C(OC)SC(C)CO 62a_100012180447_100000101307 [0,2,0,0,0,0|2,0,0]=4 1190 B11R0.88 COC(=O)C(OC)SC(C)OC 62a_100000101307_100009879195 [0,2,0,0,0,0|2,0,0]=4 1191 B11R0.88 COC(=O)C(OC)SC(C)OC 62a_100009879195_100000101307 [0,2,0,0,0,0|2,0,0]=4 1192 B11R0.88 COC(=O)C(OC)S[C@H](C)CO 62a_100000101307_100016084084 [0,2,0,0,0,0|2,0,0]=4 1193 B11R0.88 COC(=O)C(OC)S[C@H](C)CO 62a_100016084084_100000101307 [0,2,0,0,0,0|2,0,0]=4 1194 B11R0.108 CC(C)[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000745019_100016084084 [0,2,0,0,0,0|2,0,0]=4 1195 B11R0.108 CC(O)C(N[C@H](C)CO)C(=O)O 269956a_100000185852_100016084084 [0,2,0,0,0,0|2,0,0]=4 1196 B11R0.108 CCC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000758301 [0,2,0,0,0,0|2,0,0]=4 1197 B11R0.108 CCC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000758301 [0,2,0,0,0,0|2,0,0]=4 1198 B11R0.108 COC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100009879195 [0,2,0,0,0,0|2,0,0]=4 1199 B11R0.108 COC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100009879195 [0,2,0,0,0,0|2,0,0]=4 1200 B11R0.263 CCC(C)(NC(C)OC)C(=O)O 269956a_100025756313_100009879195 [0,2,0,0,0,0|2,0,0]=4 1201 B11R0.263 CCC(C)(N[C@H](C)CO)C(=O)O 269956a_100025756313_100016084084 [0,2,0,0,0,0|2,0,0]=4 1202 B11R0.263 CCC(C)NC(C)(CC)C(=O)O 269956a_100025756313_100000758301 [0,2,0,0,0,0|2,0,0]=4 1203 B11R0.292 CCC(CC)N[C@H](CC)C(=O)O 269956a_100000747097_100000210505 [0,2,0,0,0,0|2,0,0]=4 1204 B11R0.332 C#CC(C)(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000038118 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.332 CC[C@@H](NC(C)(C)CC)C(=O)O 269956a_100000747097_100000032637 [0,2,0,0,0,0|2,0,0]=4 1206 B11R0.56 CCN(CC(C)C)C(=O)CCO 240690a_100000738554_100011216618 [0,2,0,0,0,0|2,0,0]=4 1207 B11R0.56 CCN(CC(C)C)C(=O)COC 11a_100000738554_100000210968 [0,2,0,0,0,0|2,0,0]=4 1208 B11R0.56 CCN(CC(C)C)C(=O)COC 1626a_100000738554_100000210968 [0,2,0,0,0,0|2,0,0]=4 1209 B11R0.56 CCN(CC(C)C)C(=O)COC 240690a_100000738554_100000210968 [0,2,0,0,0,0|2,0,0]=4 1210 B11R0.56 CCN(CC(C)C)C(=O)COC 527a_100000738554_100000210968 [0,2,0,0,0,0|2,0,0]=4 1211 B11R0.56 CCOC(=O)C(CC(C)C)NC 2230a_106832991635_100010269446 [0,2,0,0,0,0|0,0,0]=2 1212 B11R0.56 CCOC(=O)C(CC(C)C)NC 34a_100102657272_100010269446 [0,2,0,0,0,0|0,0,0]=2 1213 B11R0.56 CCOC(=O)C(CC(C)C)NC 7a_106832991635_100010269446 [0,2,0,0,0,0|0,0,0]=2 1214 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 1215 B11R0.56 CCOC(=O)C(CC(C)C)OC 34a_100138415774_100010269446 [0,2,0,0,0,0|1,0,0]=3 1216 B11R0.56 CCOC(=O)C(CC(C)C)OC 7a_100011626094_200000210301 [0,2,0,0,0,0|1,0,0]=3 1217 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 34a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 1218 B11R0.56 CCOC(=O)C(CC(C)C)O[13CH3] 7a_100011626094_200025704644 [0,2,0,0,0,0|1,0,0]=3 1219 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_100010269446_200000210301 [0,2,0,0,0,0|1,0,0]=3 1220 B11R0.56 CCOC(=O)C(CC(C)C)SC 62a_200000210301_100010269446 [0,2,0,0,0,0|1,0,0]=3 1221 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_100010269446_200025704644 [0,2,0,0,0,0|1,0,0]=3 1222 B11R0.56 CCOC(=O)C(CC(C)C)S[13CH3] 62a_200025704644_100010269446 [0,2,0,0,0,0|1,0,0]=3 1223 B11R0.56 CCOC(=O)C(CC)NC(C)C 2230a_100138425928_100000212269 [0,2,0,0,0,0|2,0,0]=4 1224 B11R0.56 CCOC(=O)C(CC)NC(C)C 34a_100138425928_100000212269 [0,2,0,0,0,0|2,0,0]=4 1225 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100000212225_100000212269 [0,2,0,0,0,0|2,0,0]=4 1226 B11R0.56 CCOC(=O)C(CC)OC(C)C 34a_100011216719_100000210206 [0,2,0,0,0,0|2,0,0]=4 1227 B11R0.56 CCOC(=O)C(CC)OC(C)C 7a_100011216719_100000210206 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000210206_100000212269 [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.56 CCOC(=O)C(CC)SC(C)C 62a_100000212269_100000210206 [0,2,0,0,0,0|2,0,0]=4 1230 B11R0.56 CCOC(=O)C(NC(C)C)SC 34a_100138425928_100009893047 [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.56 CCOC(=O)C(OC(C)C)SC 34a_100000212225_100009893047 [0,2,0,0,0,0|2,0,0]=4 1232 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100000210206_100009893047 [0,2,0,0,0,0|2,0,0]=4 1233 B11R0.56 CCOC(=O)C(SC)SC(C)C 62a_100009893047_100000210206 [0,2,0,0,0,0|2,0,0]=4 1234 B11R0.116 CCC(C(=O)OC)C(=O)C(C)C 1458a_100000210198_100000235869 [0,2,0,0,0,0|1,0,1]=4 1235 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 2230a_100000709176_100000210206 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 269982a_100000709176_100000210206 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.116 CCC(C(=O)OC)N(C)C(C)C 269982a_200000211004_100000235869 [0,2,0,0,0,0|2,0,0]=4 1238 B11R0.116 CCN(C(=O)CO)C(C)C(C)C 240690a_100000746363_100000210174 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.116 CCN(C(=O)CO)C(C)C(C)C 527a_100000746363_100000210174 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.116 CC[C@H](C(=O)OC)N(C)C(C)C 269982a_200009935264_200000210301 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.116 CC[C@H](C(=O)OC)N([13CH3])C(C)C 269982a_200009935264_200025704644 [0,2,0,0,0,0|2,0,0]=4 1242 B11R0.123 CCC(NC(C)(C)C)C(=O)OC 2230a_100000715429_100000235869 [0,2,0,0,0,0|2,0,0]=4 1243 B11R0.123 CCC(OC(C)(C)C)C(=O)OC 34a_100000695916_100000210625 [0,2,0,0,0,0|2,0,0]=4 1244 B11R0.123 CCC(OC(C)(C)C)C(=O)OC 34a_100015890283_100000235869 [0,2,0,0,0,0|2,0,0]=4 1245 B11R0.123 CCC(OC(C)(C)C)C(=O)OC 7a_100015890283_100000742303 [0,2,0,0,0,0|2,0,0]=4 1246 B11R0.123 CCC(SC(C)(C)C)C(=O)OC 62a_100000211941_100000235869 [0,2,0,0,0,0|2,0,0]=4 1247 B11R0.123 CCC(SC(C)(C)C)C(=O)OC 62a_100000235869_100000211941 [0,2,0,0,0,0|2,0,0]=4 1248 B11R0.123 CCN(CC(C)(C)C)C(=O)CO 527a_100000732750_100000210174 [0,2,0,0,0,0|2,0,0]=4 1249 B11R0.123 CCN(CC(C)(C)O)C(=O)CO 527a_100000755687_100000210174 [0,2,0,0,0,0|2,0,0]=4 1250 B11R0.123 COC(=O)C(OC)OC(C)(C)C 34a_100000036821_100000210625 [0,2,0,0,0,0|2,0,0]=4 1251 B11R0.123 COC(=O)C(OC)OC(C)(C)C 34a_100015890283_100000101307 [0,2,0,0,0,0|2,0,0]=4 1252 B11R0.123 COC(=O)C(OC)SC(C)(C)C 62a_100000101307_100000211941 [0,2,0,0,0,0|2,0,0]=4 1253 B11R0.123 COC(=O)C(OC)SC(C)(C)C 62a_100000211941_100000101307 [0,2,0,0,0,0|2,0,0]=4 1254 B11R0.283 CC(C(N[13CH3])C(=O)O)C(F)(F)F 269956a_100000034380_200025704644 [0,2,0,0,0,0|2,0,0]=4 1255 B11R0.283 CNC(C(=O)O)C(C)C(F)(F)F 269956a_100000034380_200000210301 [0,2,0,0,0,0|2,0,0]=4 1256 B11R0.317 CC(C)[C@@H](C(=O)O)N(C)C(C)C 269956a_100015941355_100000210206 [0,2,0,0,0,0|2,0,0]=4 1257 B11R0.298 CCC(C)(NC(C)(C)C)C(=O)O 269956a_100025756313_100000211941 [0,2,0,0,0,0|2,0,0]=4 1258 B11R0.426 CC(C)[C@@H](NC(C)(C)C)C(=O)O 269956a_100000745019_100000211941 [0,2,0,0,0,0|2,0,0]=4 1259 B11R0.426 CC(O)C(NC(C)(C)C)C(=O)O 269956a_100000185852_100000211941 [0,2,0,0,0,0|2,0,0]=4 1260 B11R0.25 CCC(CC)(NC(C)C)C(=O)O 269956a_100000727939_100000210206 [0,2,0,0,0,0|2,0,0]=4 1261 B11R0.234 CC(C)N[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000210206 [0,2,0,0,0,0|2,0,0]=4 1262 B11R0.234 CC(C)N[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210206 [0,2,0,0,0,0|2,0,0]=4 1263 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|2,0,0]=4 1264 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|2,0,0]=4 1265 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|2,0,0]=4 1266 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|2,0,0]=4 1267 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|2,0,0]=4 1268 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|1,0,0]=3 1269 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|1,0,0]=3 1270 B9R1.15 CNC1CCCCC1O 34a_100102657272_100000038908 [1,0,0,1,0,0|1,0,1]=4 1271 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|1,0,0]=3 1272 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|1,0,0]=3 1273 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|1,0,0]=3 1274 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|1,0,0]=3 1275 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|1,0,0]=3 1276 B9R1.15 CNC1COCCC1=O 34a_100102657272_100012180262 [1,0,0,1,0,0|2,0,0]=4 1277 B9R1.15 CNC1COCCC1=O 7a_106832991635_100012180262 [1,0,0,1,0,0|2,0,0]=4 1278 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 1279 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 1280 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 1281 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 1282 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 1283 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 1284 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 1285 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 1286 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|1,0,0]=3 1287 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|1,0,0]=3 1288 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 1289 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 1290 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 1291 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 1292 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 1293 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 1294 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,0]=3 1295 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,0]=3 1296 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|0,0,0]=2 1297 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|0,0,0]=2 1298 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|0,0,0]=2 1299 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,0]=3 1300 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,0]=3 1301 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,0]=3 1302 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_200000210301 [1,0,0,1,0,0|1,0,1]=4 1303 B9R1.24 CN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_200000210301 [1,0,0,1,0,0|1,0,1]=4 1304 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 2230a_100015977457_200025704644 [1,0,0,1,0,0|1,0,1]=4 1305 B9R1.24 C[C@]1(CCC[C@H]1N[13CH3])O 34a_100015977457_200025704644 [1,0,0,1,0,0|1,0,1]=4 1306 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|2,0,0]=4 1307 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|2,0,0]=4 1308 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|2,0,0]=4 1309 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|2,0,0]=4 1310 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|2,0,0]=4 1311 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|1,0,0]=3 1312 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|2,0,0]=4 1313 B9R1.41 CN1CC=C[C@H]1C(=O)O 269956a_100000057196_200000210301 [1,0,0,1,0,0|0,0,2]=4 1314 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,1,0,0|1,0,0]=3 1315 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|0,0,0]=2 1316 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|1,0,0]=3 1317 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,0,0,1,0,0|1,0,0]=3 1318 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|1,0,0]=3 1319 B9R1.41 [13CH3]N1CC=C[C@H]1C(=O)O 269956a_100000057196_200025704644 [1,0,0,1,0,0|0,0,2]=4 1320 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,1,0,0|1,0,0]=3 1321 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|0,0,0]=2 1322 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,0,0,1,0,0|1,0,0]=3 1323 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|1,0,0]=3 1324 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|2,0,0]=4 1325 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,0,1,0,0|2,0,0]=4 1326 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,0,1,0,0|2,0,0]=4 1327 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [1,0,0,1,0,0|0,0,0]=2 1328 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [1,0,0,1,0,0|0,0,0]=2 1329 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [1,0,0,1,0,0|2,0,0]=4 1330 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [1,0,0,1,0,0|2,0,0]=4 1331 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [1,0,0,1,0,0|2,0,0]=4 1332 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,0,0,1,0,0|1,0,1]=4 1333 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,0,0,1,0,0|1,0,1]=4 1334 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,0,0,1,0,0|1,0,1]=4 1335 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,0,0,1,0,0|1,0,1]=4 1336 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,0,0,1,0,0|1,0,1]=4 1337 B9R1.67 CC(C)NC1CCC1=O 34a_100138425928_100009892977 [1,0,0,1,0,0|2,0,0]=4 1338 B9R1.67 CC(C)OC1CCC1=O 34a_100000212225_100009892977 [1,0,0,1,0,0|2,0,0]=4 1339 B9R1.67 CC(C)SC1CCC1=O 62a_100000210206_100009892977 [1,0,0,1,0,0|2,0,0]=4 1340 B9R1.67 CC(C)SC1CCC1=O 62a_100009892977_100000210206 [1,0,0,1,0,0|2,0,0]=4 1341 B9R1.128 CC(C)CC1(CC1)N[13CH3] 2230a_100000732712_200025704644 [1,0,0,1,0,0|1,0,1]=4 1342 B9R1.128 CNC1(CC1)CC(C)C 2230a_100000732712_200000210301 [1,0,0,1,0,0|1,0,1]=4 1343 B9R1.133 CNC1CCC(C1)(C)C 270004a_106832991635_100000759959 [1,0,0,1,0,0|1,0,1]=4 1344 B9R1.112 CC(=O)C(C)OC1CC1 34a_100000212229_100000211595 [1,0,0,1,0,0|2,0,0]=4 1345 B9R1.112 CC(=O)C(C)SC1CC1 62a_100009814033_100000211595 [1,0,0,1,0,0|2,0,0]=4 1346 B9R1.112 CC(=O)N(C)CC1CC1 11a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 1347 B9R1.112 CC(=O)N(C)CC1CC1 1626a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 1348 B9R1.112 CC(=O)N(C)CC1CC1 240690a_100000741881_100015343762 [1,0,0,1,0,0|2,0,0]=4 1349 B9R1.112 CC(=O)N(C)CC1CC1 527a_100000741881_100103153847 [1,0,0,1,0,0|2,0,0]=4 1350 B9R1.112 CC(NC1CC1)C(=O)N 34a_100000212008_100000702099 [1,0,0,1,0,0|2,0,0]=4 1351 B9R1.112 CC(SC1CC1)C(=O)N 62a_100000702099_100000211595 [1,0,0,1,0,0|2,0,0]=4 1352 B9R1.112 C[C@@H](NC1CC1)C(=O)N 34a_100000119354_100000211595 [1,0,0,1,0,0|2,0,0]=4 1353 B9R1.112 C[C@@H](OC1CC1)C(=O)N 34a_100000731257_100000211595 [1,0,0,1,0,0|2,0,0]=4 1354 B9R1.112 C[C@H](NC1CC1)C(=O)O 269956a_100000743915_100000211595 [1,0,0,1,0,0|1,0,0]=3 1355 B9R1.164 CC(=O)C1CC(C1)(C)C 1458a_100000695498_200000210301 [1,0,0,1,0,0|1,0,0]=3 1356 B9R1.164 CC(=O)N1CC(C1)(C)C 11a_100000753659_100015343762 [1,0,0,1,0,0|2,0,0]=4 1357 B9R1.164 CC(=O)N1CC(C1)(C)C 1626a_100000753659_100015343762 [1,0,0,1,0,0|2,0,0]=4 1358 B9R1.164 CC(=O)N1CC(C1)(C)C 240690a_100000753659_100015343762 [1,0,0,1,0,0|2,0,0]=4 1359 B9R1.164 CC(=O)N1CC(C1)(C)C 527a_100000753659_100103153847 [1,0,0,1,0,0|2,0,0]=4 1360 B9R1.164 CC(=O)[C@H]1C[C@@](C1)(C)O 1458a_100010742821_200000210301 [1,0,0,1,0,0|2,0,0]=4 1361 B9R1.164 CC1(CC(C1)C(=O)[13CH3])C 1458a_100000695498_200025704644 [1,0,0,1,0,0|1,0,0]=3 1362 B9R1.164 C[C@@]1(C[C@H](C1)C(=O)[13CH3])O 1458a_100010742821_200025704644 [1,0,0,1,0,0|2,0,0]=4 1363 B9R1.27 CNC1C(=O)COC1=O 34a_100102657272_100000032967 [0,0,0,1,1,0|1,0,1]=4 1364 B11R1.10 CNC1C=C(CC(C1)(C)C)C 270004a_106832991635_100000211104 [0,0,0,1,0,1|2,0,0]=4 1365 B11R1.10 CNC1C=C(CC(C1)(C)C)N 270004a_106832991635_100000185931 [0,0,0,1,0,1|2,0,0]=4 1366 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,1|2,0,0]=4 1367 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,1|2,0,0]=4 1368 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,1|2,0,0]=4 1369 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,1|2,0,0]=4 1370 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,1|2,0,0]=4 1371 B11R1.157 CC(C)CN1CCOC(=O)C1 2230a_100000131268_100000210760 [0,0,0,1,0,1|2,0,0]=4 1372 B11R1.157 CC(C)CN1CCOC(=O)C1 270004a_100000131268_100000210432 [0,0,0,1,0,1|2,0,0]=4 1373 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,1|2,0,0]=4 1374 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,1|2,0,0]=4 1375 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,0,1,0,1|2,0,0]=4 1376 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,1|2,0,0]=4 1377 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,0,1,0,1|2,0,0]=4 1378 B11R1.708 CC(C)CN1CCC1C(=O)O 269956a_100000021838_100000210760 [0,0,0,1,0,1|2,0,0]=4 1379 B11R1.933 CC(=O)NC1(CC1)CC(C)C 11a_100000732712_100015343762 [0,0,0,1,0,1|2,0,0]=4 1380 B11R1.933 CC(=O)NC1(CC1)CC(C)C 1626a_100000732712_100015343762 [0,0,0,1,0,1|2,0,0]=4 1381 B11R1.933 CC(=O)NC1(CC1)CC(C)C 240690a_100000732712_100015343762 [0,0,0,1,0,1|2,0,0]=4 1382 B11R1.933 CC(=O)NC1(CC1)CC(C)C 527a_100000732712_100103153847 [0,0,0,1,0,1|2,0,0]=4 1383 B11R1.1032 CCN(CC(=O)O)CC1CC1 269956a_100000746405_100000742324 [0,0,0,1,0,1|2,0,0]=4 1384 B11R1.1032 CC[C@H](CC(=O)O)NC1CC1 269956a_100016995926_100000211595 [0,0,0,1,0,1|2,0,0]=4 1385 B11R1.90 CC(Br)COC1CCOC1=O 34a_100012180447_100000211211 [0,0,0,1,0,1|2,0,0]=4 1386 B11R1.90 CC(C)CNC1CCCC1=O 2230a_100000210953_100000211823 [0,0,0,1,0,1|2,0,0]=4 1387 B11R1.90 CC(C)CNC1CCCC1=O 34a_100000210953_100000709159 [0,0,0,1,0,1|2,0,0]=4 1388 B11R1.90 CC(C)CNC1CCNC1=O 2230a_100016995588_100000210760 [0,0,0,1,0,1|2,0,0]=4 1389 B11R1.90 CC(C)CNC1CCNC1=O 270004a_100016995588_100000210432 [0,0,0,1,0,1|2,0,0]=4 1390 B11R1.90 CC(C)CNC1CCNC1=O 34a_100016995588_100000210624 [0,0,0,1,0,1|2,0,0]=4 1391 B11R1.90 CC(C)CNC1CCOC1=O 2230a_100000210953_100000211211 [0,0,0,1,0,1|1,0,0]=3 1392 B11R1.90 CC(C)CNC1CCOC1=O 34a_100000210953_100000211211 [0,0,0,1,0,1|1,0,0]=3 1393 B11R1.90 CC(C)COC1CCCC1=O 34a_100000210257_100000709159 [0,0,0,1,0,1|2,0,0]=4 1394 B11R1.90 CC(C)COC1CCCC1=O 34a_200000719330_100000210624 [0,0,0,1,0,1|2,0,0]=4 1395 B11R1.90 CC(C)COC1CCOC1=O 34a_100000210257_100000211211 [0,0,0,1,0,1|1,0,0]=3 1396 B11R1.90 CC(C)CO[C@H]1CCNC1=O 34a_100000688343_100000210624 [0,0,0,1,0,1|2,0,0]=4 1397 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000210624_100000211823 [0,0,0,1,0,1|2,0,0]=4 1398 B11R1.90 CC(C)CSC1CCCC1=O 62a_100000211823_100000210760 [0,0,0,1,0,1|2,0,0]=4 1399 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000210624_100000211211 [0,0,0,1,0,1|1,0,0]=3 1400 B11R1.90 CC(C)CSC1CCOC1=O 62a_100000211211_100000210760 [0,0,0,1,0,1|1,0,0]=3 1401 B11R1.90 CC(C)OCC1CCNC1=O 34a_100000133458_100000210206 [0,0,0,1,0,1|2,0,0]=4 1402 B11R1.90 CC(F)COC1CCOC1=O 34a_100015925927_100000211211 [0,0,0,1,0,1|2,0,0]=4 1403 B11R1.90 CC(O)CNC1CCOC1=O 2230a_100000210904_100000211211 [0,0,0,1,0,1|2,0,0]=4 1404 B11R1.90 CC(O)CNC1CCOC1=O 34a_100000210904_100000211211 [0,0,0,1,0,1|2,0,0]=4 1405 B11R1.90 CC(O)CSC1CCOC1=O 62a_100000211211_100011218427 [0,0,0,1,0,1|2,0,0]=4 1406 B11R1.90 CC(O)CSC1CCOC1=O 62a_100011218427_100000211211 [0,0,0,1,0,1|2,0,0]=4 1407 B11R1.90 C[C@@H](Cl)COC1CCOC1=O 34a_100016084084_100000211211 [0,0,0,1,0,1|2,0,0]=4 1408 B11R1.90 C[C@@H](N)COC1CCOC1=O 34a_100000737577_100000211211 [0,0,0,1,0,1|2,0,0]=4 1409 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100000211211_100009817552 [0,0,0,1,0,1|2,0,0]=4 1410 B11R1.90 C[C@@H](O)CSC1CCOC1=O 62a_100009817552_100000211211 [0,0,0,1,0,1|2,0,0]=4 1411 B11R1.166 CN1CC(CCC1C(=O)O)O 269956a_100000089875_200000210301 [0,0,0,1,0,1|1,0,0]=3 1412 B11R1.166 [13CH3]N1CC(CCC1C(=O)O)O 269956a_100000089875_200025704644 [0,0,0,1,0,1|1,0,0]=3 1413 B11R1.175 CC(C)N1CCC(C1)C(=O)N 2230a_100000752358_100000210206 [0,0,0,1,0,1|2,0,0]=4 1414 B11R1.175 CC(C)N1CCC(C1)C(=O)N 269982a_100000752358_100000210206 [0,0,0,1,0,1|2,0,0]=4 1415 B11R1.175 CC(C)N1CCC(C1)C(=O)N 34a_100000752358_100000210206 [0,0,0,1,0,1|2,0,0]=4 1416 B11R1.355 CCC(C(=O)N)N1CC(C1)C 2230a_100000702820_100000750255 [0,0,0,1,0,1|2,0,0]=4 1417 B11R1.355 CCC(C(=O)N)N1CC(C1)C 269982a_100000702820_100000750255 [0,0,0,1,0,1|2,0,0]=4 1418 B11R1.355 CCC(C(=O)N)N1CC(C1)C 34a_100000702820_100000750255 [0,0,0,1,0,1|2,0,0]=4 1419 B11R1.515 CC1(SCC(N1[13CH3])C(=O)O)C 269956a_100000706825_200025704644 [0,0,0,1,0,1|0,0,0]=2 1420 B11R1.515 CN1C(CSC1(C)C)C(=O)O 269956a_100000706825_200000210301 [0,0,0,1,0,1|0,0,0]=2 1421 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,0,0,1,0,1|2,0,0]=4 1422 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,0,0,1,0,1|2,0,0]=4 1423 B11R1.1017 C=C[C@H](NCC1CC1)C(=O)O 269956a_100016992060_100000742324 [0,0,0,1,0,1|1,0,1]=4 1424 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000733705_100000742324 [0,0,0,1,0,1|2,0,0]=4 1425 B11R1.1017 CCC(NCC1CC1)C(=O)N 2230a_100000735609_100000750255 [0,0,0,1,0,1|2,0,0]=4 1426 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000733705_100000742324 [0,0,0,1,0,1|2,0,0]=4 1427 B11R1.1017 CCC(NCC1CC1)C(=O)N 34a_100000735609_100000750255 [0,0,0,1,0,1|2,0,0]=4 1428 B11R1.1017 CCC(OCC1CC1)C(=O)N 34a_100000211283_100000750255 [0,0,0,1,0,1|2,0,0]=4 1429 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000750255_100000742324 [0,0,0,1,0,1|2,0,0]=4 1430 B11R1.1017 CCC(SCC1CC1)C(=O)N 62a_100000756562_100000750255 [0,0,0,1,0,1|2,0,0]=4 1431 B11R1.1017 CC[C@@H](NCC1CC1)C(=O)O 269956a_100000747097_100000742324 [0,0,0,1,0,1|1,0,0]=3 1432 B11R1.1017 CC[C@@H](NCC1CO1)C(=O)O 269956a_100000747097_102125554688 [0,0,0,1,0,1|2,0,0]=4 1433 B11R1.1017 CC[C@@H](NCC1CS1)C(=O)O 269956a_100000747097_100000031435 [0,0,0,1,0,1|2,0,0]=4 1434 B11R1.1017 CC[C@@H](NC[C@@H]1CO1)C(=O)O 269956a_100000747097_100000745022 [0,0,0,1,0,1|2,0,0]=4 1435 B11R1.1017 O=C(O)C(CO)NCC1CC1 269956a_100000187304_100000742324 [0,0,0,1,0,1|2,0,0]=4 1436 B11R1.1391 CC(=O)C1(CC1)SCC(C)C 62a_100000086384_100000210760 [0,0,0,1,0,1|2,0,0]=4 1437 B11R1.1391 CC(=O)C1(CC1)SCC(C)C 62a_100000210624_100000086384 [0,0,0,1,0,1|2,0,0]=4 1438 B11R1.1391 CC(C)CNC1(CC1)C(=O)N 2230a_100000687655_100000210760 [0,0,0,1,0,1|2,0,0]=4 1439 B11R1.1391 CC(C)CNC1(CC1)C(=O)N 270004a_100000687655_100000210432 [0,0,0,1,0,1|2,0,0]=4 1440 B11R1.1391 CC(C)CNC1(CC1)C(=O)N 34a_100000210953_100010760883 [0,0,0,1,0,1|2,0,0]=4 1441 B11R1.1391 CC(C)CNC1(CC1)C(=O)O 269956a_100000746478_100000210760 [0,0,0,1,0,1|1,0,0]=3 1442 B11R1.1391 CC(C)COC1(CC1)C(=O)N 34a_100000210257_100010760883 [0,0,0,1,0,1|2,0,0]=4 1443 B11R1.1391 CC(C)CSC1(CC1)C(=O)N 62a_100000210624_100010760883 [0,0,0,1,0,1|2,0,0]=4 1444 B11R1.1391 CC(C)CSC1(CC1)C(=O)N 62a_100010760883_100000210760 [0,0,0,1,0,1|2,0,0]=4 1445 B11R1.1391 CC(C)NCC1(CC1)C(=O)O 269956a_100000703410_100000210206 [0,0,0,1,0,1|1,0,0]=3 1446 B11R1.1391 CC(C)OCC1(CC1)C(=O)N 34a_100000117830_100000210206 [0,0,0,1,0,1|2,0,0]=4 1447 B11R1.1391 CC(C)OCC1(CC1)C(=O)N 7a_100000117830_100000210206 [0,0,0,1,0,1|2,0,0]=4 1448 B11R1.1391 CC(O)CNC1(CC1)C(=O)O 269956a_100000746478_100011218427 [0,0,0,1,0,1|2,0,0]=4 1449 B11R1.1391 C[C@@H](O)CNC1(CC1)C(=O)O 269956a_100000746478_100009817552 [0,0,0,1,0,1|2,0,0]=4 1450 B11R1.178 CC(C)N1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210206 [0,1,0,1,0,0|2,0,0]=4 1451 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,1,0,1,0,0|2,0,0]=4 1452 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [0,1,0,1,0,0|2,0,0]=4 1453 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,1,0,1,0,0|2,0,0]=4 1454 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,1,0,1,0,0|2,0,0]=4 1455 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,1,0,1,0,0|2,0,0]=4 1456 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,1,0,1,0,0|2,0,0]=4 1457 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,1,0,1,0,0|2,0,0]=4 1458 B11R1.806 C[Se]C[C@H](NC1CC1)C(=O)O 269956a_100015254316_100000211595 [0,1,0,1,0,0|2,0,0]=4 1459 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [0,1,0,1,0,0|2,0,0]=4 1460 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)C 1458a_200025715869_200000210301 [0,1,0,1,0,0|1,0,0]=3 1461 B11R1.50 CO[C@@H]1C[C@@H](N(C1)C)C(=O)[13CH3] 1458a_200025715869_200025704644 [0,1,0,1,0,0|1,0,0]=3 1462 B11R1.167 CC(=O)C1CN(CCN1C)C 1458a_100012179483_200000210301 [0,1,0,1,0,0|2,0,0]=4 1463 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,1,0,1,0,0|1,0,0]=3 1464 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,1,0,1,0,0|1,0,0]=3 1465 B11R1.167 CN1CCN(C(C1)C(=O)[13CH3])C 1458a_100012179483_200025704644 [0,1,0,1,0,0|2,0,0]=4 1466 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,1,0,1,0,0|0,0,0]=2 1467 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,1,0,1,0,0|0,0,0]=2 1468 B11R1.228 CC(CF)OC1CCOC1=O 34a_100016041109_100000211211 [0,1,0,1,0,0|2,0,0]=4 1469 B11R1.228 CC(CF)OC1CCOC1=O 7a_100016041109_100000211211 [0,1,0,1,0,0|2,0,0]=4 1470 B11R1.228 CC(CN)OC1CCOC1=O 34a_100000210904_100000211211 [0,1,0,1,0,0|2,0,0]=4 1471 B11R1.228 CC(CO)SC1CCOC1=O 62a_100012180447_100000211211 [0,1,0,1,0,0|2,0,0]=4 1472 B11R1.228 CCC(C)NC1CCOC1=O 2230a_100000209981_100000211211 [0,1,0,1,0,0|2,0,0]=4 1473 B11R1.228 CCC(C)OC1CCOC1=O 7a_100000210228_100000211211 [0,1,0,1,0,0|2,0,0]=4 1474 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000211211_100000758301 [0,1,0,1,0,0|2,0,0]=4 1475 B11R1.228 CCC(C)SC1CCOC1=O 62a_100000758301_100000211211 [0,1,0,1,0,0|2,0,0]=4 1476 B11R1.228 COC(C)SC1CCOC1=O 62a_100000211211_100009879195 [0,1,0,1,0,0|2,0,0]=4 1477 B11R1.228 COC(C)SC1CCOC1=O 62a_100009879195_100000211211 [0,1,0,1,0,0|2,0,0]=4 1478 B11R1.228 C[C@H](CO)NC1CCOC1=O 2230a_100000737577_100000211211 [0,1,0,1,0,0|2,0,0]=4 1479 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100000211211_100016084084 [0,1,0,1,0,0|2,0,0]=4 1480 B11R1.228 C[C@H](CO)SC1CCOC1=O 62a_100016084084_100000211211 [0,1,0,1,0,0|2,0,0]=4 1481 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1482 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|2,0,0]=4 1483 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|1,0,0]=3 1484 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|2,0,0]=4 1485 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|2,0,0]=4 1486 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1487 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|2,0,0]=4 1488 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|1,0,0]=3 1489 B11R1.870 CCC(C)N1CCC1C(=O)O 269956a_100000021838_100000758301 [0,1,0,1,0,0|2,0,0]=4 1490 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 2230a_102516456887_100000210206 [0,1,0,1,0,0|2,0,0]=4 1491 B11R1.870 COC(=O)[C@@H]1CCN1C(C)C 269982a_102516456887_100000210206 [0,1,0,1,0,0|2,0,0]=4 1492 B11R1.870 COC(C)N1CCC1C(=O)O 269956a_100000021838_100009879195 [0,1,0,1,0,0|2,0,0]=4 1493 B11R1.870 C[C@H](CO)N1CCC1C(=O)O 269956a_100000021838_100016084084 [0,1,0,1,0,0|2,0,0]=4 1494 B11R1.1016 CC[C@@H](NC1CCC1)C(=O)O 269956a_100000747097_100000749161 [0,1,0,1,0,0|2,0,0]=4 1495 B11R1.1016 CC[C@@H](NC1COC1)C(=O)O 269956a_100000747097_100009818527 [0,1,0,1,0,0|2,0,0]=4 1496 B11R1.1493 CCC(C)NC1(CC1)C(=O)O 269956a_100000746478_100000758301 [0,1,0,1,0,0|2,0,0]=4 1497 B11R1.1493 COC(C)NC1(CC1)C(=O)O 269956a_100000746478_100009879195 [0,1,0,1,0,0|2,0,0]=4 1498 B11R1.1493 C[C@H](CO)NC1(CC1)C(=O)O 269956a_100000746478_100016084084 [0,1,0,1,0,0|2,0,0]=4 1499 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,1,0,1,0,0|2,0,0]=4 1500 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,1,0,0|2,0,0]=4 1501 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,1,0,1,0,0|2,0,0]=4 1502 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,1,0,1,0,0|2,0,0]=4 1503 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,1,0,1,0,0|2,0,0]=4 1504 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,1,0,1,0,0|2,0,0]=4 1505 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1506 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1507 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1508 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1509 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1510 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1511 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,1,0,1,0,0|2,0,0]=4 1512 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,1,0,1,0,0|2,0,0]=4 1513 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,1,0,1,0,0|2,0,0]=4 1514 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,1,0,1,0,0|2,0,0]=4 1515 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,1,0,1,0,0|2,0,0]=4 1516 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,1,0,1,0,0|2,0,0]=4 1517 B11R1.225 C=C1C[C@H](N(C1)C)C(=O)OC 2230a_100025771018_200000210301 [0,1,0,1,0,0|0,0,2]=4 1518 B11R1.225 C=C1C[C@H](N(C1)[13CH3])C(=O)OC 2230a_100025771018_200025704644 [0,1,0,1,0,0|0,0,2]=4 1519 B11R1.225 CCC(=O)[C@@H]1C[C@H](CN1C)O 1458a_100015191551_100000210202 [0,1,0,1,0,0|2,0,0]=4 1520 B11R1.225 CN1C[C@@H](C[C@H]1C(=O)CF)O 1458a_100015191551_100015361967 [0,1,0,1,0,0|2,0,0]=4 1521 B11R1.225 CNC(=O)[C@@H]1C[C@H](CN1C)O 240690a_100102657272_100015191551 [0,1,0,1,0,0|2,0,0]=4 1522 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 269982a_202516457430_200000210301 [0,1,0,1,0,0|2,0,0]=4 1523 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)C 34a_202516457430_200000210301 [0,1,0,1,0,0|2,0,0]=4 1524 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 269982a_202516457430_200025704644 [0,1,0,1,0,0|2,0,0]=4 1525 B11R1.225 COC(=O)[C@@H]1CN(C[C@H]1C)[13CH3] 34a_202516457430_200025704644 [0,1,0,1,0,0|2,0,0]=4 1526 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 2230a_100000724535_200000210301 [0,1,0,1,0,0|1,0,0]=3 1527 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 269982a_100000724535_200000210301 [0,1,0,1,0,0|1,0,0]=3 1528 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1C)F 34a_100000724535_200000210301 [0,1,0,1,0,0|1,0,0]=3 1529 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 2230a_100000724535_200025704644 [0,1,0,1,0,0|1,0,0]=3 1530 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 269982a_100000724535_200025704644 [0,1,0,1,0,0|1,0,0]=3 1531 B11R1.225 COC(=O)[C@@H]1C[C@@H](CN1[13CH3])F 34a_100000724535_200025704644 [0,1,0,1,0,0|1,0,0]=3 1532 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1C)O 2230a_100000753705_200000210301 [0,1,0,1,0,0|1,0,0]=3 1533 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1C)O 269982a_100000753705_200000210301 [0,1,0,1,0,0|1,0,0]=3 1534 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1[13CH3])O 2230a_100000753705_200025704644 [0,1,0,1,0,0|1,0,0]=3 1535 B11R1.225 COC(=O)[C@@H]1C[C@H](CN1[13CH3])O 269982a_100000753705_200025704644 [0,1,0,1,0,0|1,0,0]=3 1536 B11R1.495 CC(C)NC1C(=O)COC1=O 34a_100138425928_100000032967 [0,1,0,1,0,0|2,0,0]=4 1537 B11R1.495 CC(C)OC1C(=O)COC1=O 34a_100000212225_100000032967 [0,1,0,1,0,0|2,0,0]=4 1538 B11R1.495 CC(C)SC1C(=O)COC1=O 62a_100000210206_100000032967 [0,1,0,1,0,0|2,0,0]=4 1539 B11R1.862 CCC(NC1CC1)C(=O)OC 34a_100000212008_100000235869 [0,1,0,1,0,0|2,0,0]=4 1540 B11R1.862 CCC(OC1CC1)C(=O)OC 34a_100000695916_100000211595 [0,1,0,1,0,0|2,0,0]=4 1541 B11R1.862 CCC(SC1CC1)C(=O)OC 62a_100000235869_100000211595 [0,1,0,1,0,0|2,0,0]=4 1542 B11R1.862 COC(=O)C(NC1CC1)OC 34a_100000212008_100000101307 [0,1,0,1,0,0|2,0,0]=4 1543 B11R1.862 COC(=O)C(OC)OC1CC1 34a_100000036821_100000211595 [0,1,0,1,0,0|2,0,0]=4 1544 B11R1.862 COC(=O)C(OC)SC1CC1 62a_100000101307_100000211595 [0,1,0,1,0,0|2,0,0]=4 1545 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 34a_100015422700_200000210301 [0,1,0,1,0,0|1,0,0]=3 1546 B11R1.862 COC(=O)[C@@H](CC1CC1)OC 7a_100015422700_200000210301 [0,1,0,1,0,0|1,0,0]=3 1547 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 34a_100015422700_200025704644 [0,1,0,1,0,0|1,0,0]=3 1548 B11R1.862 COC(=O)[C@@H](CC1CC1)O[13CH3] 7a_100015422700_200025704644 [0,1,0,1,0,0|1,0,0]=3 1549 B11R1.866 CC1(CCN(C1)C(=O)CO)C 240690a_100000764714_100000210174 [0,1,0,1,0,0|2,0,0]=4 1550 B11R1.866 CC1(CCN(C1)C(=O)CO)C 527a_100000764714_100000210174 [0,1,0,1,0,0|2,0,0]=4 1551 B11R1.889 COC(=O)C1(CC1)NC(C)C 34a_100138425928_100000698272 [0,1,0,1,0,0|2,0,0]=4 1552 B11R1.889 COC(=O)C1(CC1)OC(C)C 34a_100000212225_100000698272 [0,1,0,1,0,0|2,0,0]=4 1553 B11R1.889 COC(=O)C1(CC1)OC(C)C 34a_100000719341_100000210206 [0,1,0,1,0,0|2,0,0]=4 1554 B11R1.889 COC(=O)C1(CC1)OC(C)C 7a_100000719341_100000210206 [0,1,0,1,0,0|2,0,0]=4 1555 B11R1.889 COC(=O)C1(CC1)SC(C)C 62a_100000210206_100000698272 [0,1,0,1,0,0|2,0,0]=4 1556 B11R1.889 COC(=O)C1(CC1)SC(C)C 62a_100000698272_100000210206 [0,1,0,1,0,0|2,0,0]=4 1557 B11R1.89 CC(C)C(=O)C1CCOC1=O 1458a_100000210198_100000211211 [0,1,0,1,0,0|1,0,1]=4 1558 B11R1.89 CC(C)N(C)C1CCOC1=O 269982a_200000211004_100000211211 [0,1,0,1,0,0|2,0,0]=4 1559 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|2,0,0]=4 1560 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|2,0,0]=4 1561 B11R1.105 CC(C)(C)NC1CCOC1=O 2230a_100000715429_100000211211 [0,1,0,1,0,0|2,0,0]=4 1562 B11R1.105 CC(C)(C)OC1CCOC1=O 34a_100015890283_100000211211 [0,1,0,1,0,0|2,0,0]=4 1563 B11R1.105 CC(C)(C)OC1CCOC1=O 7a_100015890283_100000211211 [0,1,0,1,0,0|2,0,0]=4 1564 B11R1.105 CC(C)(C)SC1CCOC1=O 62a_100000211211_100000211941 [0,1,0,1,0,0|2,0,0]=4 1565 B11R1.105 CC(C)(C)SC1CCOC1=O 62a_100000211941_100000211211 [0,1,0,1,0,0|2,0,0]=4 1566 B11R1.488 CN1CC(C[C@H]1C(=O)N)(F)F 2230a_100015192519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1567 B11R1.488 CN1CC(C[C@H]1C(=O)N)(F)F 269982a_100015192519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1568 B11R1.488 CN1CC(C[C@H]1C(=O)N)(F)F 34a_100015192519_200000210301 [0,1,0,1,0,0|2,0,0]=4 1569 B11R1.488 CN1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_200000210301 [0,1,0,1,0,0|1,0,0]=3 1570 B11R1.488 [13CH3]N1CC(C[C@H]1C(=O)N)(F)F 2230a_100015192519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1571 B11R1.488 [13CH3]N1CC(C[C@H]1C(=O)N)(F)F 269982a_100015192519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1572 B11R1.488 [13CH3]N1CC(C[C@H]1C(=O)N)(F)F 34a_100015192519_200025704644 [0,1,0,1,0,0|2,0,0]=4 1573 B11R1.488 [13CH3]N1CC(C[C@H]1C(=O)O)(F)F 269956a_100016989020_200025704644 [0,1,0,1,0,0|1,0,0]=3 1574 B11R1.731 CC(C)(C)N1CCC1C(=O)O 269956a_100000021838_100000211941 [0,1,0,1,0,0|2,0,0]=4 1575 B11R1.736 CC(C)(C)NC1(CC1)C(=O)O 269956a_100000746478_100000211941 [0,1,0,1,0,0|2,0,0]=4 1576 B11R1.1515 CC1(CC(C(O1)(C)C)N[13CH3])C 2230a_100000697755_200025704644 [0,1,0,1,0,0|1,0,1]=4 1577 B11R1.1515 CNC1CC(OC1(C)C)(C)C 2230a_100000697755_200000210301 [0,1,0,1,0,0|1,0,1]=4 1578 B11R1.1554 CNC1(CC(C1)(F)F)C(=O)O 269956a_100000063436_200000210301 [0,1,0,1,0,0|1,0,0]=3 1579 B11R1.1554 [13CH3]NC1(CC(C1)(F)F)C(=O)O 269956a_100000063436_200025704644 [0,1,0,1,0,0|1,0,0]=3 1580 B11R1.1152 CCC(C)(NC1CC1)C(=O)O 269956a_100025756313_100000211595 [0,1,0,1,0,0|2,0,0]=4 1581 B11R1.1381 CC(C)[C@@H](NC1CC1)C(=O)O 269956a_100000745019_100000211595 [0,1,0,1,0,0|2,0,0]=4 1582 B11R1.1381 CC(O)C(NC1CC1)C(=O)O 269956a_100000185852_100000211595 [0,1,0,1,0,0|2,0,0]=4 1583 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|2,0,0]=4 1584 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|2,0,0]=4 1585 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|2,0,0]=4 1586 B11R2.115 O=C1OCCC1NC2CC2 34a_100000212008_100000211211 [0,0,0,2,0,0|2,0,0]=4 1587 B11R2.115 O=C1OCCC1SC2CC2 62a_100000211211_100000211595 [0,0,0,2,0,0|2,0,0]=4 1588 B11R2.843 O=C(O)C1CCN1C2CC2 269956a_100000021838_100000211595 [0,0,0,2,0,0|2,0,0]=4 1589 B11R2.1882 O=C(O)C1(CC1)NC2CC2 269956a_100000746478_100000211595 [0,0,0,2,0,0|2,0,0]=4 1590 B7R0.16 CC(=O)C(C)C(C)C 1458a_100000755409_200000210301 [1,0,0,0,1,0|1,0,0]=3 1591 B7R0.16 CC(=O)C(C)N(C)C 2230a_100102631434_100009814033 [1,0,0,0,1,0|2,0,0]=4 1592 B7R0.16 CC(=O)C(C)N(C)C 269982a_100102631434_100009814033 [1,0,0,0,1,0|2,0,0]=4 1593 B7R0.16 CC(=O)N(C)C(C)C 11a_200000211004_100015343762 [1,0,0,0,1,0|2,0,0]=4 1594 B7R0.16 CC(=O)N(C)C(C)C 1626a_200000211004_100015343762 [1,0,0,0,1,0|2,0,0]=4 1595 B7R0.16 CC(=O)N(C)C(C)C 240690a_200000211004_100015343762 [1,0,0,0,1,0|2,0,0]=4 1596 B7R0.16 CC(=O)N(C)C(C)C 527a_200000211004_100103153847 [1,0,0,0,1,0|2,0,0]=4 1597 B7R0.16 CC(=O)[C@H](C)N(C)C 1458a_100009822176_200000210301 [1,0,0,0,1,0|2,0,0]=4 1598 B7R0.16 CC(=O)[C@H](O)C(C)C 1458a_100000691806_200000210301 [1,0,0,0,1,0|2,0,0]=4 1599 B7R0.16 CC(C(=O)N)N(C)C 2230a_100102631434_100000702099 [1,0,0,0,1,0|2,0,0]=4 1600 B7R0.16 CC(C(=O)N)N(C)C 269982a_100102631434_100000184083 [1,0,0,0,1,0|2,0,0]=4 1601 B7R0.16 CC(C(=O)O)N(C)C 269956a_100000749554_200000210301 [1,0,0,0,1,0|1,0,0]=3 1602 B7R0.16 CC(C(=O)O)N(C)[13CH3] 269956a_100000749554_200025704644 [1,0,0,0,1,0|1,0,0]=3 1603 B7R0.16 CC(C)C(C)C(=O)[13CH3] 1458a_100000755409_200025704644 [1,0,0,0,1,0|1,0,0]=3 1604 B7R0.16 CC(C)[C@@H](O)C(=O)[13CH3] 1458a_100000691806_200025704644 [1,0,0,0,1,0|2,0,0]=4 1605 B7R0.16 C[C@@H](C(=O)[13CH3])N(C)C 1458a_100009822176_200025704644 [1,0,0,0,1,0|2,0,0]=4 1606 B9R0.43 C=CC(CC)OCC(C)C 34a_100000766422_100000210624 [1,0,0,0,0,1|2,0,0]=4 1607 B9R0.43 C=CC(CC)OCC(C)C 7a_100000766422_100000210760 [1,0,0,0,0,1|2,0,0]=4 1608 B9R0.43 CC(C)CNC(C=O)C=O 2230a_100000210953_100000736813 [1,0,0,0,0,1|2,0,0]=4 1609 B9R0.43 CC(C)CNC(C=O)C=O 34a_100000210953_100000736813 [1,0,0,0,0,1|2,0,0]=4 1610 B9R0.43 CC(C)COC(C=O)C=O 34a_100000210257_100000736813 [1,0,0,0,0,1|2,0,0]=4 1611 B9R0.43 CC(C)CSC(C=O)C=O 62a_100000210624_100000736813 [1,0,0,0,0,1|2,0,0]=4 1612 B9R0.43 CC(C)CSC(C=O)C=O 62a_100000736813_100000210760 [1,0,0,0,0,1|2,0,0]=4 1613 B9R0.43 CC[C@@H](CO)NCC(C)C 2230a_100000709445_100000210760 [1,0,0,0,0,1|1,0,1]=4 1614 B9R0.43 CC[C@@H](CO)NCC(C)C 270004a_100000709445_100000210432 [1,0,0,0,0,1|1,0,1]=4 1615 B9R0.7 C=C(C)C(C)NCC(C)C 269862a_100000210953_100011216138 [1,0,0,0,0,1|2,0,0]=4 1616 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [1,0,0,0,0,1|0,0,2]=4 1617 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [1,0,0,0,0,1|1,0,0]=3 1618 B9R0.7 CC(=O)C(C)COC(C)C 34a_100000032740_100000210206 [1,0,0,0,0,1|1,0,0]=3 1619 B9R0.7 CC(=O)C(C)COC(C)C 7a_100000032740_100000210206 [1,0,0,0,0,1|1,0,0]=3 1620 B9R0.7 CC(=O)C(C)NCC(C)C 2230a_100000210953_100009814033 [1,0,0,0,0,1|1,0,0]=3 1621 B9R0.7 CC(=O)C(C)NCC(C)O 2230a_100000210904_100009814033 [1,0,0,0,0,1|2,0,0]=4 1622 B9R0.7 CC(=O)C(C)OCC(C)C 34a_100000212229_100000210624 [1,0,0,0,0,1|1,0,0]=3 1623 B9R0.7 CC(=O)C(C)OCC(C)O 34a_100000212229_100011218427 [1,0,0,0,0,1|2,0,0]=4 1624 B9R0.7 CC(=O)C(C)OC[C@@H](C)O 34a_100000212229_100009817552 [1,0,0,0,0,1|2,0,0]=4 1625 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100000210624_100009814033 [1,0,0,0,0,1|1,0,0]=3 1626 B9R0.7 CC(=O)C(C)SCC(C)C 62a_100009814033_100000210760 [1,0,0,0,0,1|1,0,0]=3 1627 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100009814033_100011218427 [1,0,0,0,0,1|2,0,0]=4 1628 B9R0.7 CC(=O)C(C)SCC(C)O 62a_100011218427_100009814033 [1,0,0,0,0,1|2,0,0]=4 1629 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009814033_100009817552 [1,0,0,0,0,1|2,0,0]=4 1630 B9R0.7 CC(=O)C(C)SC[C@@H](C)O 62a_100009817552_100009814033 [1,0,0,0,0,1|2,0,0]=4 1631 B9R0.7 CC(=O)N(C)CCC(C)C 11a_100000742789_100015343762 [1,0,0,0,0,1|2,0,0]=4 1632 B9R0.7 CC(=O)N(C)CCC(C)C 1626a_100000742789_100015343762 [1,0,0,0,0,1|2,0,0]=4 1633 B9R0.7 CC(=O)N(C)CCC(C)C 240690a_100000742789_100015343762 [1,0,0,0,0,1|2,0,0]=4 1634 B9R0.7 CC(=O)N(C)CCC(C)C 527a_100000742789_100103153847 [1,0,0,0,0,1|2,0,0]=4 1635 B9R0.7 CC(Br)COC(C)C(=O)N 34a_100012180447_100000702099 [1,0,0,0,0,1|2,0,0]=4 1636 B9R0.7 CC(C)CNC(C)C(=O)N 2230a_100000210953_100000702099 [1,0,0,0,0,1|1,0,0]=3 1637 B9R0.7 CC(C)CNC(C)C(=O)N 34a_100000210953_100000702099 [1,0,0,0,0,1|1,0,0]=3 1638 B9R0.7 CC(C)CNC(F)C(=O)N 2230a_100000210953_100009813875 [1,0,0,0,0,1|2,0,0]=4 1639 B9R0.7 CC(C)CNC(F)C(=O)N 34a_100000210953_100009813875 [1,0,0,0,0,1|2,0,0]=4 1640 B9R0.7 CC(C)CNC(F)C(=O)[O-] 34a_100000210953_100020610796 [1,0,0,0,0,1|1,0,1]=4 1641 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [1,0,0,0,0,1|0,0,0]=2 1642 B9R0.7 CC(C)CN[C@H](C)C(=O)N 2230a_100000119354_100000210760 [1,0,0,0,0,1|1,0,0]=3 1643 B9R0.7 CC(C)CN[C@H](C)C(=O)N 270004a_100000119354_100000210432 [1,0,0,0,0,1|1,0,0]=3 1644 B9R0.7 CC(C)CN[C@H](C)C(=O)N 34a_100000119354_100000210624 [1,0,0,0,0,1|1,0,0]=3 1645 B9R0.7 CC(C)COC(C)C(=O)N 34a_100000210257_100000702099 [1,0,0,0,0,1|1,0,0]=3 1646 B9R0.7 CC(C)COC(F)C(=O)N 34a_100000210257_100009813875 [1,0,0,0,0,1|2,0,0]=4 1647 B9R0.7 CC(C)COC(F)C(=O)[O-] 34a_100000210257_100020610796 [1,0,0,0,0,1|1,0,1]=4 1648 B9R0.7 CC(C)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210760 [1,0,0,0,0,1|0,0,1]=3 1649 B9R0.7 CC(C)CO[C@H](C)C(=O)N 34a_100000731257_100000210624 [1,0,0,0,0,1|1,0,0]=3 1650 B9R0.7 CC(C)CO[C@H](C)C(=O)N 7a_100000731257_100000210760 [1,0,0,0,0,1|1,0,0]=3 1651 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000210624_100000702099 [1,0,0,0,0,1|1,0,0]=3 1652 B9R0.7 CC(C)CSC(C)C(=O)N 62a_100000702099_100000210760 [1,0,0,0,0,1|1,0,0]=3 1653 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100000210624_100009813875 [1,0,0,0,0,1|2,0,0]=4 1654 B9R0.7 CC(C)CSC(F)C(=O)N 62a_100009813875_100000210760 [1,0,0,0,0,1|2,0,0]=4 1655 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100000210624_100020610796 [1,0,0,0,0,1|1,0,1]=4 1656 B9R0.7 CC(C)CSC(F)C(=O)[O-] 62a_100020610796_100000210760 [1,0,0,0,0,1|1,0,1]=4 1657 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [1,0,0,0,0,1|0,0,0]=2 1658 B9R0.7 CC(C)NCC(F)C(=O)O 269956a_100000084737_100000210206 [1,0,0,0,0,1|1,0,0]=3 1659 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 34a_100000039676_100000210206 [1,0,0,0,0,1|1,0,1]=4 1660 B9R0.7 CC(C)OCC(C)[N+](=O)[O-] 7a_100000039676_100000210206 [1,0,0,0,0,1|1,0,1]=4 1661 B9R0.7 CC(C)OC[C@H](N)C(=O)N 34a_100000729942_100000210206 [1,0,0,0,0,1|1,0,0]=3 1662 B9R0.7 CC(F)COC(C)C(=O)N 34a_100015925927_100000702099 [1,0,0,0,0,1|2,0,0]=4 1663 B9R0.7 CC(O)CNC(C)C(=O)N 2230a_100000210904_100000702099 [1,0,0,0,0,1|2,0,0]=4 1664 B9R0.7 CC(O)CNC(C)C(=O)N 34a_100000210904_100000702099 [1,0,0,0,0,1|2,0,0]=4 1665 B9R0.7 CC(O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011218427 [1,0,0,0,0,1|1,0,0]=3 1666 B9R0.7 CC(O)CN[C@H](C)C(=O)N 2230a_100000119354_100011218427 [1,0,0,0,0,1|2,0,0]=4 1667 B9R0.7 CC(O)CN[C@H](C)C(=O)N 34a_100000119354_100011218427 [1,0,0,0,0,1|2,0,0]=4 1668 B9R0.7 CC(O)CO[C@@H](C)C(=O)[O-] 7a_217856618621_100011218427 [1,0,0,0,0,1|1,0,1]=4 1669 B9R0.7 CC(O)CO[C@H](C)C(=O)N 34a_100000731257_100011218427 [1,0,0,0,0,1|2,0,0]=4 1670 B9R0.7 CC(O)CO[C@H](C)C(=O)N 7a_100000731257_100011218427 [1,0,0,0,0,1|2,0,0]=4 1671 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100000702099_100011218427 [1,0,0,0,0,1|2,0,0]=4 1672 B9R0.7 CC(O)CSC(C)C(=O)N 62a_100011218427_100000702099 [1,0,0,0,0,1|2,0,0]=4 1673 B9R0.7 CC(OC[C@@H](C)Cl)C(=O)N 34a_100016084084_100000702099 [1,0,0,0,0,1|2,0,0]=4 1674 B9R0.7 CC(OC[C@@H](C)N)C(=O)N 34a_100000737577_100000702099 [1,0,0,0,0,1|2,0,0]=4 1675 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100000702099_100009817552 [1,0,0,0,0,1|2,0,0]=4 1676 B9R0.7 CC(SC[C@@H](C)O)C(=O)N 62a_100009817552_100000702099 [1,0,0,0,0,1|2,0,0]=4 1677 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 2230a_100000119354_100009817552 [1,0,0,0,0,1|2,0,0]=4 1678 B9R0.7 C[C@@H](O)CN[C@H](C)C(=O)N 34a_100000119354_100009817552 [1,0,0,0,0,1|2,0,0]=4 1679 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 34a_100000731257_100009817552 [1,0,0,0,0,1|2,0,0]=4 1680 B9R0.7 C[C@@H](O)CO[C@H](C)C(=O)N 7a_100000731257_100009817552 [1,0,0,0,0,1|2,0,0]=4 1681 B9R0.7 C[C@H](NCC(F)F)C(=O)O 269956a_100000743915_100011934356 [1,0,0,0,0,1|2,0,0]=4 1682 B9R0.7 C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000743915_100009817552 [1,0,0,0,0,1|1,0,0]=3 1683 B9R0.7 C[C@H](OC[C@@H](C)O)C(=O)[O-] 7a_217856618621_100009817552 [1,0,0,0,0,1|1,0,1]=4 1684 B9R0.53 CC(=O)NC(C)CC(C)C 11a_100000692259_100015343762 [1,0,0,0,0,1|1,0,0]=3 1685 B9R0.53 CC(=O)NC(C)CC(C)C 1626a_100000692259_100015343762 [1,0,0,0,0,1|1,0,0]=3 1686 B9R0.53 CC(=O)NC(C)CC(C)C 240690a_100000692259_100015343762 [1,0,0,0,0,1|1,0,0]=3 1687 B9R0.53 CC(=O)NC(C)CC(C)C 527a_100000692259_100103153847 [1,0,0,0,0,1|1,0,0]=3 1688 B9R0.53 CC(=O)NC(C)CN(C)C 11a_100016992788_100015343762 [1,0,0,0,0,1|2,0,0]=4 1689 B9R0.53 CC(=O)NC(C)CN(C)C 240690a_100016992788_100015343762 [1,0,0,0,0,1|2,0,0]=4 1690 B9R0.53 CC(=O)NC(C)CN(C)C 527a_100016992788_100103153847 [1,0,0,0,0,1|2,0,0]=4 1691 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100000210206_100009818208 [1,0,0,0,0,1|2,0,0]=4 1692 B9R0.53 CC(=O)OC(C)SC(C)C 62a_100009818208_100000210206 [1,0,0,0,0,1|2,0,0]=4 1693 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000739694_100000210760 [1,0,0,0,0,1|2,0,0]=4 1694 B9R0.53 CC(C)CN(C)CC(=O)N 2230a_100000747067_100000747473 [1,0,0,0,0,1|2,0,0]=4 1695 B9R0.53 CC(C)CN(C)CC(=O)N 269982a_100000747067_100000187820 [1,0,0,0,0,1|2,0,0]=4 1696 B9R0.53 CC(C)CN(C)CC(=O)N 270004a_100000739694_100000210432 [1,0,0,0,0,1|2,0,0]=4 1697 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [1,0,0,0,0,1|1,0,0]=3 1698 B9R0.53 CC(C)CN(C)CC(=O)[O-] 269982a_100000747067_100020667443 [1,0,0,0,0,1|1,0,1]=4 1699 B9R0.53 CC(O)CN(C)CC(=O)O 269956a_100000746989_100011218427 [1,0,0,0,0,1|2,0,0]=4 1700 B9R0.53 C[C@@H](O)CN(C)CC(=O)O 269956a_100000746989_100009817552 [1,0,0,0,0,1|2,0,0]=4 1701 B11R0.143 CC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000210760 [0,0,0,0,0,2|2,0,0]=4 1702 B11R0.143 CCN(CCC(C)C)CC(=O)O 269956a_100000746405_100000210312 [0,0,0,0,0,2|2,0,0]=4 1703 B11R0.143 CCN(COC(C)C)CC(=O)O 269956a_100000746405_100000709892 [0,0,0,0,0,2|2,0,0]=4 1704 B11R0.143 CC[C@H](CC(=O)O)NCC(C)C 269956a_100016995926_100000210760 [0,0,0,0,0,2|1,0,0]=3 1705 B11R0.143 CC[C@H](CC(=O)O)NCC(C)O 269956a_100016995926_100011218427 [0,0,0,0,0,2|2,0,0]=4 1706 B11R0.143 CC[C@H](CC(=O)O)NC[C@@H](C)O 269956a_100016995926_100009817552 [0,0,0,0,0,2|2,0,0]=4 1707 B11R0.273 C=C[C@H](NCCC(C)C)C(=O)O 269956a_100016992060_100000210312 [0,0,0,0,0,2|1,0,1]=4 1708 B11R0.273 C=C[C@H](NCOC(C)C)C(=O)O 269956a_100016992060_100000709892 [0,0,0,0,0,2|1,0,1]=4 1709 B11R0.273 CC(C)CCNC(CO)C(=O)O 269956a_100000187304_100000210312 [0,0,0,0,0,2|2,0,0]=4 1710 B11R0.273 CC(C)OCNC(CO)C(=O)O 269956a_100000187304_100000709892 [0,0,0,0,0,2|2,0,0]=4 1711 B11R0.273 CCC(NCCC(C)C)C(=O)N 2230a_100000733705_100000210312 [0,0,0,0,0,2|2,0,0]=4 1712 B11R0.273 CCC(NCCC(C)C)C(=O)N 34a_100000733705_100000210312 [0,0,0,0,0,2|2,0,0]=4 1713 B11R0.273 CCC(NCOC(C)C)C(=O)N 2230a_100000733705_100000709892 [0,0,0,0,0,2|2,0,0]=4 1714 B11R0.273 CCC(NCOC(C)C)C(=O)N 34a_100000733705_100000709892 [0,0,0,0,0,2|2,0,0]=4 1715 B11R0.273 CCC(OCCC(C)C)C(=O)N 34a_100000210254_100000750255 [0,0,0,0,0,2|2,0,0]=4 1716 B11R0.273 CCC(OCCC(C)C)C(=O)N 7a_100000210254_100000750255 [0,0,0,0,0,2|2,0,0]=4 1717 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000210312_100000750255 [0,0,0,0,0,2|2,0,0]=4 1718 B11R0.273 CCC(SCCC(C)C)C(=O)N 62a_100000750255_100000210312 [0,0,0,0,0,2|2,0,0]=4 1719 B11R0.273 CCC(SCOC(C)C)C(=O)N 62a_100000709892_100000750255 [0,0,0,0,0,2|2,0,0]=4 1720 B11R0.273 CCC(SCOC(C)C)C(=O)N 62a_100000750255_100000709892 [0,0,0,0,0,2|2,0,0]=4 1721 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,0,0,0,0,2|1,0,1]=4 1722 B11R0.273 CC[C@@H](NCCC(C)C)C(=O)O 269956a_100000747097_100000210312 [0,0,0,0,0,2|1,0,0]=3 1723 B11R0.273 CC[C@@H](NCCC(C)O)C(=O)O 269956a_100000747097_100012276601 [0,0,0,0,0,2|2,0,0]=4 1724 B11R0.273 CC[C@@H](NCCN(C)C)C(=O)O 269956a_100000747097_100000755713 [0,0,0,0,0,2|2,0,0]=4 1725 B11R0.273 CC[C@@H](NCOC(C)C)C(=O)O 269956a_100000747097_100000709892 [0,0,0,0,0,2|1,0,0]=3