0 B9R0.15 CC(=O)N(CCO)CCO 240690a_100000210587_100015343762 [0,0,0,0,0,0|4,0,0]=4 1 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,0,0,0,0,0|1,0,0]=1 2 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,0,0,0,0,0|1,0,0]=1 3 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,0,0,0,0,0|1,0,0]=1 4 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [0,0,0,0,0,0|3,0,0]=3 5 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [0,0,0,0,0,0|3,0,0]=3 6 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,0,0,0,0,0|2,0,0]=2 7 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,0,0,0,0,0|2,0,0]=2 8 B9R0.15 CCCC(OCC)C(C)C 34a_200011215069_100000210202 [0,0,0,0,0,0|3,0,1]=4 9 B9R0.15 CCCC(OCC)C(C)C 7a_200011215069_100000210202 [0,0,0,0,0,0|3,0,1]=4 10 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,0,0,0,0,0|3,0,0]=3 11 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,0,0,0,0,0|3,0,0]=3 12 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,0,0,0,0,0|2,0,0]=2 13 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,0,0,0,0,0|2,0,0]=2 14 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,0,0,0,0,0|2,0,0]=2 15 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,0,0,0,0,0|2,0,0]=2 16 B9R0.15 CCCN(CCC)C(C)C 2230a_100000210455_100000210206 [0,0,0,0,0,0|3,0,1]=4 17 B9R0.15 CCCN(CCC)C(C)C 2230a_106256033942_100000210303 [0,0,0,0,0,0|3,0,1]=4 18 B9R0.15 CCCN(CCC)C(C)C 269982a_100000210455_100000210206 [0,0,0,0,0,0|3,0,1]=4 19 B9R0.15 CCCN(CCC)C(C)C 269982a_106256033942_100000210303 [0,0,0,0,0,0|3,0,1]=4 20 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,0,0,0,0,0|3,0,0]=3 21 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,0,0,0,0,0|2,0,0]=2 22 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,0,0,0,0,0|2,0,0]=2 23 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,0,0,0,0,0|1,0,0]=1 24 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,0,0,0,0,0|3,0,0]=3 25 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,0,0,0,0,0|2,0,0]=2 26 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,0,0,0,0,0|2,0,0]=2 27 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,0,0,0,0,0|2,0,0]=2 28 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,0,0,0,0,0|2,0,0]=2 29 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,0,0,0,0,0|3,0,0]=3 30 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,0,0,0,0,0|3,0,0]=3 31 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,0,0,0,0,0|3,0,0]=3 32 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,0,0,0,0,0|3,0,0]=3 33 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,0,0,0,0,0|3,0,0]=3 34 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|1,0,2]=4 35 B8R0.15 CCC(NCF)C(=O)N 34a_100000733705_100015361967 [1,0,0,0,0,0|3,0,0]=4 36 B8R0.15 CCC(SCF)C(=O)N 62a_100000750255_100015361967 [1,0,0,0,0,0|3,0,0]=4 37 B8R0.15 CCC(SCF)C(=O)N 62a_100015361967_100000750255 [1,0,0,0,0,0|3,0,0]=4 38 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,0,0|1,0,0]=2 39 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,0,0|1,0,0]=2 40 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,0,0|1,0,0]=2 41 B8R0.15 CCCC(CC)N(C)C 269982a_100102631434_100011219200 [1,0,0,0,0,0|3,0,0]=4 42 B8R0.15 CCCC(CC)N(C)C 270004a_100102631434_100000687865 [1,0,0,0,0,0|3,0,0]=4 43 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,0,0,0,0|2,0,0]=3 44 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,0,0,0,0|2,0,0]=3 45 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,0,0,0,0|2,0,0]=3 46 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,0,0,0,0|2,0,0]=3 47 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 48 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 49 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 50 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,0,0|2,0,0]=3 51 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,0,0,0,0|2,0,0]=3 52 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,0,0,0,0|2,0,0]=3 53 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|1,0,0]=2 54 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,0,0,0,0|2,0,0]=3 55 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,0,0,0,0|2,0,0]=3 56 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|1,0,0]=2 57 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [1,0,0,0,0,0|3,0,0]=4 58 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [1,0,0,0,0,0|3,0,0]=4 59 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|2,0,0]=3 60 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|2,0,0]=3 61 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|2,0,0]=3 62 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|2,0,0]=3 63 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210202 [1,0,0,0,0,0|2,0,1]=4 64 B8R0.15 CCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210202 [1,0,0,0,0,0|2,0,1]=4 65 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 66 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [1,0,0,0,0,0|3,0,0]=4 67 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|1,0,0]=2 68 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,0,0,0,0|2,0,0]=3 69 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,0,0,0,0,0|2,0,0]=3 70 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,0,0,0,0,0|2,0,0]=3 71 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,0,0,0,0,0|2,0,0]=3 72 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,0,0,0,0,0|2,0,0]=3 73 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,0,0,0,0,0|2,0,0]=3 74 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,0,0,0,0,0|2,0,0]=3 75 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,0,0,0,0,0|2,0,0]=3 76 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,0,0,0,0,0|2,0,0]=3 77 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,0,0,0,0,0|2,0,0]=3 78 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [1,0,0,0,0,0|3,0,0]=4 79 B8R0.22 C#CC(CCC)OCC 34a_200011217317_100000210202 [1,0,0,0,0,0|2,0,1]=4 80 B8R0.22 C#CC(CCC)OCC 7a_200011217317_100000210202 [1,0,0,0,0,0|2,0,1]=4 81 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,0,0,0,0,0|2,0,0]=3 82 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,0,0,0,0,0|2,0,0]=3 83 B8R0.22 C=CC(CCC)OCF 34a_100011216692_100015361967 [1,0,0,0,0,0|3,0,0]=4 84 B8R0.22 C=CC(CCC)OCF 7a_100011216692_100015361967 [1,0,0,0,0,0|3,0,0]=4 85 B8R0.22 CCCC(C#N)OCC 34a_100000686963_100000210202 [1,0,0,0,0,0|2,0,1]=4 86 B8R0.22 CCCC(C#N)OCC 7a_100000686963_100000210202 [1,0,0,0,0,0|2,0,1]=4 87 B8R0.22 CCCC(CC)NCC 2230a_100000747048_100000210202 [1,0,0,0,0,0|2,0,1]=4 88 B8R0.22 CCCC(CC)NCC 270004a_100015525214_100000687865 [1,0,0,0,0,0|2,0,1]=4 89 B8R0.22 CCCC(CC)OCC 34a_100000687864_100000210202 [1,0,0,0,0,0|2,0,1]=4 90 B8R0.22 CCCC(CC)OCC 7a_100000687864_100000210202 [1,0,0,0,0,0|2,0,1]=4 91 B8R0.22 CCCC(CC)SCC 62a_100000210202_100011219200 [1,0,0,0,0,0|2,0,1]=4 92 B8R0.22 CCCC(CC)SCC 62a_100011219200_100000210202 [1,0,0,0,0,0|2,0,1]=4 93 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [1,0,0,0,0,0|2,0,0]=3 94 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [1,0,0,0,0,0|2,0,0]=3 95 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [1,0,0,0,0,0|2,0,0]=3 96 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [1,0,0,0,0,0|2,0,0]=3 97 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [1,0,0,0,0,0|2,0,0]=3 98 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [1,0,0,0,0,0|2,0,0]=3 99 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [1,0,0,0,0,0|2,0,0]=3 100 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [1,0,0,0,0,0|2,0,0]=3 101 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [1,0,0,0,0,0|2,0,0]=3 102 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [1,0,0,0,0,0|2,0,0]=3 103 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [1,0,0,0,0,0|2,0,0]=3 104 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [1,0,0,0,0,0|2,0,0]=3 105 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [1,0,0,0,0,0|2,0,0]=3 106 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [1,0,0,0,0,0|2,0,0]=3 107 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [1,0,0,0,0,0|2,0,0]=3 108 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [1,0,0,0,0,0|2,0,0]=3 109 B8R0.22 CCCN(CC)CCC 2230a_100000210455_100000210202 [1,0,0,0,0,0|2,0,1]=4 110 B8R0.22 CCCN(CC)CCC 2230a_100000226822_100000210303 [1,0,0,0,0,0|2,0,1]=4 111 B8R0.22 CCCN(CC)CCC 269982a_100000210455_100000204670 [1,0,0,0,0,0|2,0,1]=4 112 B8R0.22 CCCN(CC)CCC 269982a_100000226822_100000210303 [1,0,0,0,0,0|2,0,1]=4 113 B8R0.22 CCCN(CF)CCC 269982a_100000210455_100015361967 [1,0,0,0,0,0|2,0,1]=4 114 B8R0.22 CCC[C@@H](CCO)NC 2230a_100015193777_200000210301 [1,0,0,0,0,0|3,0,0]=4 115 B8R0.22 CCC[C@@H](CCO)NC 34a_100015193777_200000210301 [1,0,0,0,0,0|3,0,0]=4 116 B8R0.22 CCC[C@@H](CCO)N[13CH3] 2230a_100015193777_200025704644 [1,0,0,0,0,0|3,0,0]=4 117 B8R0.22 CCC[C@@H](CCO)N[13CH3] 34a_100015193777_200025704644 [1,0,0,0,0,0|3,0,0]=4 118 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [1,0,0,0,0,0|1,0,1]=3 119 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [1,0,0,0,0,0|1,0,1]=3 120 B8R0.22 CCC[C@@H](CO)NCF 34a_100000732646_100015361967 [1,0,0,0,0,0|2,0,1]=4 121 B8R0.22 CCNC(CO)COC 2230a_100000724102_100000210202 [1,0,0,0,0,0|2,0,1]=4 122 B8R0.22 CCNC(CO)COC 34a_100000724102_100000210202 [1,0,0,0,0,0|2,0,1]=4 123 B10R0.23 CC(=O)N(CCO)CC(C)C 240690a_100015185251_100015343762 [0,1,0,0,0,0|3,0,0]=4 124 B10R0.23 CC(=O)N(CCO)CC(C)C 527a_100015185251_100103153847 [0,1,0,0,0,0|3,0,0]=4 125 B10R0.23 CC(=O)N(CCO)CC(C)O 240690a_100000731851_100015343762 [0,1,0,0,0,0|3,0,0]=4 126 B10R0.23 CC(=O)N(CCO)CC(C)O 527a_100000731851_100103153847 [0,1,0,0,0,0|3,0,0]=4 127 B10R0.23 CC(C)C[C@H](NCF)C(=O)N 34a_100016989234_100015361967 [0,1,0,0,0,0|3,0,0]=4 128 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [0,1,0,0,0,0|2,0,0]=3 129 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [0,1,0,0,0,0|2,0,0]=3 130 B10R0.23 CCC[C@H](NC(=O)C)C(=O)C 1458a_100011995990_200000210301 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 11a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 1626a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 240690a_100000729256_100015343762 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.23 CCC[C@H](NC(=O)C)C(=O)N 527a_100000729256_100103153847 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.23 CCC[C@H](NC(=O)C)C(=O)[13CH3] 1458a_100011995990_200025704644 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,1,0,0,0,0|2,0,0]=3 137 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,1,0,0,0,0|2,0,0]=3 138 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,1,0,0,0,0|1,0,0]=2 139 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,1,0,0,0,0|2,0,0]=3 140 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,1,0,0,0,0|2,0,0]=3 141 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,0|2,0,0]=3 142 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,1,0,0,0,0|2,0,0]=3 143 B10R0.23 CS(=O)C[C@H](NCF)C(=O)O 269956a_100009817418_100015361967 [0,1,0,0,0,0|3,0,0]=4 144 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,1,0,0,0,0|2,0,0]=3 145 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]=3 146 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,1,0,0,0,0|2,0,1]=4 147 B10R0.30 CCCC(C(C)CC)N(C)C 270004a_100102631434_100011218362 [0,1,0,0,0,0|3,0,0]=4 148 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [0,1,0,0,0,0|2,0,0]=3 149 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [0,1,0,0,0,0|2,0,0]=3 150 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [0,1,0,0,0,0|2,0,0]=3 151 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [0,1,0,0,0,0|2,0,0]=3 152 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [0,1,0,0,0,0|3,0,0]=4 153 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,1,0,0,0,0|1,0,0]=2 154 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,1,0,0,0,0|2,0,0]=3 155 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,1,0,0,0,0|2,0,0]=3 156 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,1,0,0,0,0|2,0,0]=3 157 B10R0.30 CO[C@H](C)[C@H](NCF)C(=O)O 269956a_100015335849_100015361967 [0,1,0,0,0,0|3,0,0]=4 158 B10R0.73 C#CC(=O)C(CCC)CCC 1458a_100000211873_200011218217 [0,1,0,0,0,0|1,0,0]=2 159 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [0,1,0,0,0,0|1,0,0]=2 160 B10R0.73 C=CC(=O)N(CCC)CCC 1626a_100000210455_100000185746 [0,1,0,0,0,0|2,0,0]=3 161 B10R0.73 C=CC(=O)N(CCC)CCC 240690a_100000210455_200121576911 [0,1,0,0,0,0|2,0,0]=3 162 B10R0.73 C=CC(=O)N(CCC)CCO 240690a_100000211420_200121576911 [0,1,0,0,0,0|3,0,0]=4 163 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [0,1,0,0,0,0|1,0,0]=2 164 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [0,1,0,0,0,0|1,0,0]=2 165 B10R0.73 CCCC(CCC)C(=O)CF 1458a_100011215354_100015361967 [0,1,0,0,0,0|1,0,0]=2 166 B10R0.73 CCCC(CCC)C(=O)CO 1458a_100000210174_200011218217 [0,1,0,0,0,0|0,0,0]=1 167 B10R0.73 CCCC(CCC)C(=O)NC 11a_106832991635_100011215354 [0,1,0,0,0,0|1,0,0]=2 168 B10R0.73 CCCC(CCC)C(=O)NC 1626a_100102657272_100011215354 [0,1,0,0,0,0|1,0,0]=2 169 B10R0.73 CCCC(CCC)C(=O)NC 240690a_100102657272_100011215354 [0,1,0,0,0,0|1,0,0]=2 170 B10R0.73 CCCC(CCC)C(=O)NC 527a_100102657272_100011215354 [0,1,0,0,0,0|1,0,0]=2 171 B10R0.73 CCCC(CCC)N(C)CC 269982a_100000225621_200011218217 [0,1,0,0,0,0|3,0,0]=4 172 B10R0.73 CCCC(NCC)C(=O)NC 2230a_106256046333_100000210202 [0,1,0,0,0,0|2,0,0]=3 173 B10R0.73 CCCC(NCC)C(=O)NC 34a_106256046333_100000210202 [0,1,0,0,0,0|2,0,0]=3 174 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [0,1,0,0,0,0|1,0,0]=2 175 B10R0.73 CCCC(NCF)C(=O)NC 34a_106256046333_100015361967 [0,1,0,0,0,0|3,0,0]=4 176 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [0,1,0,0,0,0|1,0,0]=2 177 B10R0.73 CCCC(SCC)C(=O)OC 62a_100000210202_200009843822 [0,1,0,0,0,0|1,0,0]=2 178 B10R0.73 CCCC(SCC)C(=O)OC 62a_200009843822_100000210202 [0,1,0,0,0,0|1,0,0]=2 179 B10R0.73 CCCC(SCF)C(=O)OC 62a_100015361967_200009843822 [0,1,0,0,0,0|2,0,0]=3 180 B10R0.73 CCCC(SCF)C(=O)OC 62a_200009843822_100015361967 [0,1,0,0,0,0|2,0,0]=3 181 B10R0.73 CCCN(CCC)C(=O)CC 11a_100000210455_100000210414 [0,1,0,0,0,0|2,0,0]=3 182 B10R0.73 CCCN(CCC)C(=O)CC 1626a_100000210455_100000210414 [0,1,0,0,0,0|2,0,0]=3 183 B10R0.73 CCCN(CCC)C(=O)CC 240690a_100000210455_100000210414 [0,1,0,0,0,0|2,0,0]=3 184 B10R0.73 CCCN(CCC)C(=O)CC 527a_100000210455_100000210414 [0,1,0,0,0,0|2,0,0]=3 185 B10R0.73 CCCN(CCC)C(=O)CO 240690a_100000210455_100000210174 [0,1,0,0,0,0|1,0,0]=2 186 B10R0.73 CCCN(CCC)C(=O)CO 527a_100000210455_100000210174 [0,1,0,0,0,0|1,0,0]=2 187 B10R0.73 CCCN(CCC)C(=O)NC 2708a_100102657272_100000210455 [0,1,0,0,0,0|2,0,0]=3 188 B10R0.73 CCCN(CCC)C(=O)NC 273464a_100102657272_100000210455 [0,1,0,0,0,0|2,0,0]=3 189 B10R0.73 CCCN(CCC)C(C)CO 2230a_100000210455_100012180447 [0,1,0,0,0,0|2,0,1]=4 190 B10R0.73 CCCN(CCC)C(C)CO 2230a_100011303929_100000210303 [0,1,0,0,0,0|2,0,1]=4 191 B10R0.73 CCCN(CCC)C(C)CO 269982a_100011303929_100000210303 [0,1,0,0,0,0|2,0,1]=4 192 B10R0.73 CCCN(CCC)C(C)OC 269982a_100000210455_100009879195 [0,1,0,0,0,0|2,0,1]=4 193 B10R0.73 CCCN(CCC)[C@H](C)CO 269982a_100000210455_100016084084 [0,1,0,0,0,0|2,0,1]=4 194 B10R0.73 CCCN(CCO)C(=O)CC 240690a_100000211420_100000210414 [0,1,0,0,0,0|3,0,0]=4 195 B10R0.73 CCCN(CCO)C(=O)CO 240690a_100000211420_100000210174 [0,1,0,0,0,0|2,0,0]=3 196 B10R0.73 CCCN(CCO)C(=O)NC 2708a_100102657272_100000211420 [0,1,0,0,0,0|3,0,0]=4 197 B10R0.73 CCCN(CCO)C(=O)NC 273464a_100102657272_100000211420 [0,1,0,0,0,0|3,0,0]=4 198 B10R0.73 CCOC(COC)C(=O)OC 34a_100121572206_100000717350 [0,1,0,0,0,0|2,0,0]=3 199 B10R0.73 CCOC(OCC)C(=O)CC 1458a_100000082760_100000210202 [0,1,0,0,0,0|3,0,0]=4 200 B10R0.73 CCOC(OCC)C(=O)CF 1458a_100000082760_100015361967 [0,1,0,0,0,0|3,0,0]=4 201 B10R0.73 CCOC(OCC)C(=O)NC 11a_106832991635_100000082760 [0,1,0,0,0,0|3,0,0]=4 202 B10R0.73 CCOC(OCC)C(=O)NC 1626a_100102657272_100000082760 [0,1,0,0,0,0|3,0,0]=4 203 B10R0.73 CCOC(OCC)C(=O)NC 240690a_100102657272_100000082760 [0,1,0,0,0,0|3,0,0]=4 204 B10R0.73 CCOC(OCC)C(=O)NC 527a_100102657272_100000082760 [0,1,0,0,0,0|3,0,0]=4 205 B10R0.73 CCSC(COC)C(=O)OC 62a_100000210202_100000717350 [0,1,0,0,0,0|2,0,0]=3 206 B10R0.73 CCSC(COC)C(=O)OC 62a_100000717350_100000210202 [0,1,0,0,0,0|2,0,0]=3 207 B10R0.73 COCC(SCF)C(=O)OC 62a_100000717350_100015361967 [0,1,0,0,0,0|3,0,0]=4 208 B10R0.73 COCC(SCF)C(=O)OC 62a_100015361967_100000717350 [0,1,0,0,0,0|3,0,0]=4 209 B10R0.73 O=C(CO)N(CCO)CCO 240690a_100000210587_100000210174 [0,1,0,0,0,0|3,0,0]=4 210 B10R0.88 C#CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000038162 [0,1,0,0,0,0|1,0,2]=4 211 B10R0.88 C#CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000184674 [0,1,0,0,0,0|1,0,2]=4 212 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [0,1,0,0,0,0|0,0,2]=3 213 B10R0.88 C#CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000184674 [0,1,0,0,0,0|1,0,2]=4 214 B10R0.88 C#CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000184674 [0,1,0,0,0,0|1,0,2]=4 215 B10R0.88 C#CCN[C@H](COC)C(=O)O 269956a_100011998655_100000184674 [0,1,0,0,0,0|1,0,2]=4 216 B10R0.88 C#CCOC(CCC)C(=O)N 34a_100011626294_100000184674 [0,1,0,0,0,0|1,0,2]=4 217 B10R0.88 C#CCOC(CCC)C(=O)N 7a_100011626294_100000038162 [0,1,0,0,0,0|1,0,2]=4 218 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210623 [0,1,0,0,0,0|1,0,2]=4 219 B10R0.88 C=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100015514636 [0,1,0,0,0,0|1,0,2]=4 220 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [0,1,0,0,0,0|0,0,2]=3 221 B10R0.88 C=CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210623 [0,1,0,0,0,0|1,0,2]=4 222 B10R0.88 C=CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210623 [0,1,0,0,0,0|1,0,2]=4 223 B10R0.88 C=CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210623 [0,1,0,0,0,0|1,0,2]=4 224 B10R0.88 C=CCOC(CCC)C(=O)N 34a_100011626294_100015514636 [0,1,0,0,0,0|1,0,2]=4 225 B10R0.88 C=CCOC(CCC)C(=O)N 7a_100011626294_100015514636 [0,1,0,0,0,0|1,0,2]=4 226 B10R0.88 CC(=O)N(CCO)CCCO 240690a_200000212863_100015343762 [0,1,0,0,0,0|3,0,0]=4 227 B10R0.88 CCCC(OCC#N)C(=O)N 7a_100011626294_100011215382 [0,1,0,0,0,0|2,0,1]=4 228 B10R0.88 CCCC(OCC=O)C(=O)N 34a_100011626294_200009817547 [0,1,0,0,0,0|2,0,1]=4 229 B10R0.88 CCCC(OCC=O)C(=O)N 7a_100011626294_200015260668 [0,1,0,0,0,0|2,0,1]=4 230 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [0,1,0,0,0,0|2,0,0]=3 231 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [0,1,0,0,0,0|2,0,0]=3 232 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [0,1,0,0,0,0|2,0,0]=3 233 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [0,1,0,0,0,0|2,0,0]=3 234 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [0,1,0,0,0,0|2,0,0]=3 235 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,1,0,0,0,0|1,0,0]=2 236 B10R0.88 CCCCC(CCC)N(C)C 269982a_100102631434_100000211913 [0,1,0,0,0,0|3,0,0]=4 237 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,1,0,0,0,0|2,0,0]=3 238 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,1,0,0,0,0|2,0,0]=3 239 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,1,0,0,0,0|2,0,0]=3 240 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,1,0,0,0,0|2,0,0]=3 241 B10R0.88 CCCCC(SCF)C(=O)N 62a_100000748834_100015361967 [0,1,0,0,0,0|3,0,0]=4 242 B10R0.88 CCCCC(SCF)C(=O)N 62a_100015361967_100000748834 [0,1,0,0,0,0|3,0,0]=4 243 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 244 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 245 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,1,0,0,0,0|2,0,0]=3 246 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,1,0,0,0,0|2,0,0]=3 247 B10R0.88 CCCCN(CCO)C(=O)C 240690a_100000198060_100015343762 [0,1,0,0,0,0|3,0,0]=4 248 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,1,0,0,0,0|2,0,0]=3 249 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,1,0,0,0,0|2,0,0]=3 250 B10R0.88 CCCC[C@H](NCF)C(=O)N 34a_100000124899_100015361967 [0,1,0,0,0,0|3,0,0]=4 251 B10R0.88 CCCN(CCC#N)C(=O)C 11a_100000176855_100015343762 [0,1,0,0,0,0|2,0,1]=4 252 B10R0.88 CCCN(CCC#N)C(=O)C 1626a_100000176855_100015343762 [0,1,0,0,0,0|2,0,1]=4 253 B10R0.88 CCCN(CCC#N)C(=O)C 240690a_100000176855_100015343762 [0,1,0,0,0,0|2,0,1]=4 254 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [0,1,0,0,0,0|2,0,0]=3 255 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [0,1,0,0,0,0|2,0,0]=3 256 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [0,1,0,0,0,0|2,0,0]=3 257 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [0,1,0,0,0,0|2,0,0]=3 258 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,1,0,0,0,0|1,0,0]=2 259 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,1,0,0,0,0|1,0,0]=2 260 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,1,0,0,0,0|0,0,0]=1 261 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,1,0,0,0,0|1,0,0]=2 262 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,1,0,0,0,0|1,0,0]=2 263 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,1,0,0,0,0|1,0,0]=2 264 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,1,0,0,0,0|1,0,0]=2 265 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,1,0,0,0,0|1,0,0]=2 266 B10R0.88 CCCOC(CCC)C(C)C 34a_200011215069_100000210303 [0,1,0,0,0,0|2,0,1]=4 267 B10R0.88 CCCOC(CCC)C(C)C 7a_200011215069_100000210303 [0,1,0,0,0,0|2,0,1]=4 268 B10R0.88 CCC[C@H](NCC#N)C(=O)N 2230a_100000729256_100011215382 [0,1,0,0,0,0|2,0,1]=4 269 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [0,1,0,0,0,0|1,0,1]=3 270 B10R0.88 CCC[C@H](NCC=O)C(=O)N 2230a_100000729256_200015260668 [0,1,0,0,0,0|2,0,1]=4 271 B10R0.88 CCC[C@H](NCC=O)C(=O)N 34a_100000729256_200009817547 [0,1,0,0,0,0|2,0,1]=4 272 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [0,1,0,0,0,0|1,0,1]=3 273 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [0,1,0,0,0,0|2,0,0]=3 274 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [0,1,0,0,0,0|2,0,0]=3 275 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [0,1,0,0,0,0|1,0,0]=2 276 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [0,1,0,0,0,0|2,0,0]=3 277 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [0,1,0,0,0,0|2,0,0]=3 278 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,1,0,0,0,0|1,0,0]=2 279 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [0,1,0,0,0,0|2,0,0]=3 280 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [0,1,0,0,0,0|1,0,0]=2 281 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [0,1,0,0,0,0|2,0,0]=3 282 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [0,1,0,0,0,0|2,0,0]=3 283 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,1,0,0,0,0|1,0,0]=2 284 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,1,0,0,0,0|2,0,0]=3 285 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,1,0,0,0,0|2,0,0]=3 286 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,1,0,0,0,0|1,0,0]=2 287 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,1,0,0,0,0|1,0,0]=2 288 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [0,1,0,0,0,0|2,0,0]=3 289 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [0,1,0,0,0,0|2,0,0]=3 290 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,1,0,0,0,0|2,0,0]=3 291 B10R0.88 COC[C@@H](NCC#N)C(=O)O 269956a_100011998655_100011215382 [0,1,0,0,0,0|2,0,1]=4 292 B10R0.88 COC[C@@H](NCC=O)C(=O)O 269956a_100011998655_200015260668 [0,1,0,0,0,0|2,0,1]=4 293 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,1,0,0,0,0|2,0,0]=3 294 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,1,0,0,0,0|2,0,0]=3 295 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,1,0,0,0,0|2,0,0]=3 296 B10R0.88 CSCC[C@H](NCF)C(=O)N 34a_100000119342_100015361967 [0,1,0,0,0,0|3,0,0]=4 297 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,1,0,0,0,0|2,0,0]=3 298 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,1,0,0,0,0|2,0,0]=3 299 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,1,0,0,0,0|2,0,0]=3 300 B10R0.88 CSC[C@H](NCC#N)C(=O)O 269956a_100011421858_100011215382 [0,1,0,0,0,0|2,0,1]=4 301 B10R0.88 CSC[C@H](NCC=O)C(=O)O 269956a_100011421858_200015260668 [0,1,0,0,0,0|2,0,1]=4 302 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [0,1,0,0,0,0|2,0,0]=3 303 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,1,0,0,0,0|2,0,0]=3 304 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,1,0,0,0,0|2,0,0]=3 305 B10R0.88 C[Se]C[C@H](NCC#N)C(=O)O 269956a_100015254316_100011215382 [0,1,0,0,0,0|2,0,1]=4 306 B10R0.88 C[Se]C[C@H](NCC=O)C(=O)O 269956a_100015254316_200015260668 [0,1,0,0,0,0|2,0,1]=4 307 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [0,1,0,0,0,0|2,0,0]=3 308 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,1,0,0,0,0|2,0,0]=3 309 B10R0.139 CCCN(CCC)S(=O)(=O)C 40a_100000210455_100000738038 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.4 CCCC1CCCCN1C 2230a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 311 B10R1.4 CCCC1CCCCN1C 269982a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 312 B10R1.4 CCCC1CCCCN1C 34a_100000701414_200000210301 [0,0,0,1,0,0|3,0,0]=4 313 B10R1.4 CCCC1CCCCN1[13CH3] 2230a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 314 B10R1.4 CCCC1CCCCN1[13CH3] 269982a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 315 B10R1.4 CCCC1CCCCN1[13CH3] 34a_100000701414_200025704644 [0,0,0,1,0,0|3,0,0]=4 316 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|2,0,0]=3 317 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|2,0,0]=3 318 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|2,0,0]=3 319 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|2,0,0]=3 320 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|2,0,0]=3 321 B10R1.4 CCOC1CCCCC1O 34a_100121572206_100000038908 [0,0,0,1,0,0|2,0,1]=4 322 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|2,0,0]=3 323 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|2,0,0]=3 324 B10R1.4 CCOC1COCCC1=O 34a_100121572206_100012180262 [0,0,0,1,0,0|3,0,0]=4 325 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|2,0,0]=3 326 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|2,0,0]=3 327 B10R1.4 CCSC1CCCCC1O 62a_100000038908_100000210202 [0,0,0,1,0,0|2,0,1]=4 328 B10R1.4 CCSC1CCCCC1O 62a_100000210202_100000038908 [0,0,0,1,0,0|2,0,1]=4 329 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|2,0,0]=3 330 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|2,0,0]=3 331 B10R1.4 CCSC1COCCC1=O 62a_100000210202_100012180262 [0,0,0,1,0,0|3,0,0]=4 332 B10R1.4 CCSC1COCCC1=O 62a_100012180262_100000210202 [0,0,0,1,0,0|3,0,0]=4 333 B10R1.4 CNCC1CCCCC1O 34a_100011216029_200000210301 [0,0,0,1,0,0|2,0,1]=4 334 B10R1.4 COCC1CCCCC1=O 34a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 335 B10R1.4 COCC1CCCCC1=O 7a_100009861125_200000210301 [0,0,0,1,0,0|2,0,0]=3 336 B10R1.4 O=C1CCCCC1OCF 34a_100011214950_100015361967 [0,0,0,1,0,0|3,0,0]=4 337 B10R1.4 O=C1CCCCC1SCF 62a_100000204591_100015361967 [0,0,0,1,0,0|3,0,0]=4 338 B10R1.4 O=C1CCCCC1SCF 62a_100015361967_100000204591 [0,0,0,1,0,0|3,0,0]=4 339 B10R1.4 O=C1NCCCC1NCF 34a_100000747585_100015361967 [0,0,0,1,0,0|3,0,0]=4 340 B10R1.4 O=C1NCCCC1OCF 34a_100000073722_100015361967 [0,0,0,1,0,0|3,0,0]=4 341 B10R1.4 O=C1NCCCC1SCF 62a_100000687798_100015361967 [0,0,0,1,0,0|3,0,0]=4 342 B10R1.4 O=C1NCCCC1SCF 62a_100015361967_100000687798 [0,0,0,1,0,0|3,0,0]=4 343 B10R1.4 [13CH3]NCC1CCCCC1O 34a_100011216029_200025704644 [0,0,0,1,0,0|2,0,1]=4 344 B10R1.4 [13CH3]OCC1CCCCC1=O 34a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 345 B10R1.4 [13CH3]OCC1CCCCC1=O 7a_100009861125_200025704644 [0,0,0,1,0,0|2,0,0]=3 346 B10R1.39 CC(=O)N1CCC[C@@H]1CO 240690a_100000745186_100015343762 [0,0,0,1,0,0|3,0,0]=4 347 B10R1.39 CC(=O)N1CCC[C@@H]1CO 527a_100000745186_100103153847 [0,0,0,1,0,0|3,0,0]=4 348 B10R1.39 CCC1CCCC1N(C)C 270004a_100102631434_100000749056 [0,0,0,1,0,0|3,0,0]=4 349 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 350 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 351 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|2,0,0]=3 352 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|2,0,0]=3 353 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 354 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|2,0,0]=3 355 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|2,0,0]=3 356 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,0,0,1,0,0|2,0,0]=3 357 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|1,0,0]=2 358 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,0,1,0,0|2,0,0]=3 359 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,0,1,0,0|2,0,0]=3 360 B10R1.39 O=C(O)C1SCCN1CF 269956a_100000035718_100015361967 [0,0,0,1,0,0|3,0,0]=4 361 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,0,1,0,0|2,0,0]=3 362 B10R1.39 O=C(O)[C@@H]1CSCN1CF 269956a_100000743924_100015361967 [0,0,0,1,0,0|3,0,0]=4 363 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 11a_200015306588_100015343762 [0,0,0,1,0,0|3,0,0]=4 364 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 240690a_200015306588_100015343762 [0,0,0,1,0,0|3,0,0]=4 365 B10R1.58 CC(=O)N1C[C@H]([C@H](C1)O)C 527a_200015306588_100103153847 [0,0,0,1,0,0|3,0,0]=4 366 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|1,0,0]=2 367 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [0,0,0,1,0,0|2,0,0]=3 368 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [0,0,0,1,0,0|2,0,0]=3 369 B10R1.113 CC(=O)C1CN(CCO1)C 1458a_100011543126_200000210301 [0,0,0,1,0,0|3,0,0]=4 370 B10R1.113 CC(=O)N1CCCC(C1)F 11a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 371 B10R1.113 CC(=O)N1CCCC(C1)F 1626a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 372 B10R1.113 CC(=O)N1CCCC(C1)F 240690a_100000697950_100015343762 [0,0,0,1,0,0|3,0,0]=4 373 B10R1.113 CC(=O)N1CCCC(C1)F 527a_100000697950_100103153847 [0,0,0,1,0,0|3,0,0]=4 374 B10R1.113 CC(=O)N1CCCC(C1)O 240690a_100000211013_100015343762 [0,0,0,1,0,0|3,0,0]=4 375 B10R1.113 CC(=O)N1CCCC(C1)O 527a_100000211013_100103153847 [0,0,0,1,0,0|3,0,0]=4 376 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,0|2,0,0]=3 377 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,0|2,0,0]=3 378 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,0|2,0,0]=3 379 B10R1.113 CC(=O)N1CCOC(C1)C 11a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 380 B10R1.113 CC(=O)N1CCOC(C1)C 1626a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 381 B10R1.113 CC(=O)N1CCOC(C1)C 240690a_100000729577_100015343762 [0,0,0,1,0,0|3,0,0]=4 382 B10R1.113 CC(=O)N1CCOC(C1)C 527a_100000729577_100103153847 [0,0,0,1,0,0|3,0,0]=4 383 B10R1.113 CC(O)C1CCCN(C1)C 2230a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 384 B10R1.113 CC(O)C1CCCN(C1)C 269982a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 385 B10R1.113 CC(O)C1CCCN(C1)C 34a_100000740858_200000210301 [0,0,0,1,0,0|2,0,1]=4 386 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 2230a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 387 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 269982a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 388 B10R1.113 CC(O)C1CCCN(C1)[13CH3] 34a_100000740858_200025704644 [0,0,0,1,0,0|2,0,1]=4 389 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|1,0,0]=2 390 B10R1.113 CC1CCCC(C1)N(C)C 270004a_100102631434_100000183594 [0,0,0,1,0,0|3,0,0]=4 391 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 392 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 393 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [0,0,0,1,0,0|2,0,0]=3 394 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [0,0,0,1,0,0|2,0,0]=3 395 B10R1.113 CN1CCOC(C1)C(=O)N 2230a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 396 B10R1.113 CN1CCOC(C1)C(=O)N 34a_100000748043_200000210301 [0,0,0,1,0,0|3,0,0]=4 397 B10R1.113 CN1CCOC(C1)C(=O)[13CH3] 1458a_100011543126_200025704644 [0,0,0,1,0,0|3,0,0]=4 398 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [0,0,0,1,0,0|2,0,0]=3 399 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 400 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 401 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [0,0,0,1,0,0|2,0,0]=3 402 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 2230a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 403 B10R1.113 [13CH3]N1CCOC(C1)C(=O)N 34a_100000748043_200025704644 [0,0,0,1,0,0|3,0,0]=4 404 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,0,0,1,0,0|2,0,0]=3 405 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,0,0,1,0,0|2,0,0]=3 406 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,1,0,0|1,0,0]=2 407 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,1,0,0|1,0,0]=2 408 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,1,0,0|1,0,0]=2 409 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,1,0,0|1,0,0]=2 410 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 411 B10R1.133 CCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210202 [0,0,0,1,0,0|2,0,1]=4 412 B10R1.290 CC(=O)N(CCO)C1CC1 240690a_100000738766_100015343762 [0,0,0,1,0,0|3,0,0]=4 413 B10R1.290 CC(=O)N(CCO)C1CC1 527a_100000738766_100103153847 [0,0,0,1,0,0|3,0,0]=4 414 B10R1.290 CCCN(C(=O)C)C1CC1 11a_100000765834_100015343762 [0,0,0,1,0,0|2,0,0]=3 415 B10R1.290 CCCN(C(=O)C)C1CC1 1626a_100000765834_100015343762 [0,0,0,1,0,0|2,0,0]=3 416 B10R1.290 CCCN(C(=O)C)C1CC1 240690a_100000765834_100015343762 [0,0,0,1,0,0|2,0,0]=3 417 B10R1.290 CCCN(C(=O)C)C1CC1 527a_100000765834_100103153847 [0,0,0,1,0,0|2,0,0]=3 418 B10R1.348 CC(=O)C1CCC=CCC1 1458a_100000048548_200000210301 [0,0,0,1,0,0|1,0,2]=4 419 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,0]=2 420 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,0]=2 421 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 422 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 423 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,0]=3 424 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,0]=3 425 B10R1.348 CC(=O)N1CCCOCC1 11a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 426 B10R1.348 CC(=O)N1CCCOCC1 1626a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 427 B10R1.348 CC(=O)N1CCCOCC1 240690a_100000685342_100015343762 [0,0,0,1,0,0|3,0,0]=4 428 B10R1.348 CC(=O)N1CCCOCC1 527a_100000685342_100103153847 [0,0,0,1,0,0|3,0,0]=4 429 B10R1.348 CN(C)C1CCCCCC1 2230a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 430 B10R1.348 CN(C)C1CCCCCC1 269982a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 431 B10R1.348 CN(C)C1CCCCCC1 269982a_100102631434_100011217769 [0,0,0,1,0,0|3,0,0]=4 432 B10R1.348 CN(C)C1CCCCCC1 270004a_100102631434_100000210131 [0,0,0,1,0,0|3,0,0]=4 433 B10R1.348 CN(C)C1CCCCCC1 34a_100015185097_200000210301 [0,0,0,1,0,0|3,0,0]=4 434 B10R1.348 CN([13CH3])C1CCCCCC1 2230a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 435 B10R1.348 CN([13CH3])C1CCCCCC1 269982a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 436 B10R1.348 CN([13CH3])C1CCCCCC1 34a_100015185097_200025704644 [0,0,0,1,0,0|3,0,0]=4 437 B10R1.348 [13CH3]C(=O)C1CCC=CCC1 1458a_100000048548_200025704644 [0,0,0,1,0,0|1,0,2]=4 438 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,0]=2 439 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [0,0,0,1,0,0|1,0,0]=2 440 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [0,0,0,1,0,0|1,0,0]=2 441 B10R1.381 COCC1(CCC1)C(=O)C 1458a_100000728662_200000210301 [0,0,0,1,0,0|2,0,0]=3 442 B10R1.381 COCC1(CCC1)C(=O)[13CH3] 1458a_100000728662_200025704644 [0,0,0,1,0,0|2,0,0]=3 443 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [0,0,0,1,0,0|2,0,0]=3 444 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [0,0,0,1,0,0|1,0,0]=2 445 B10R0.79 C#CCN(CCC)CC(=O)O 269956a_100011236498_100000210207 [0,0,0,0,0,1|1,0,2]=4 446 B10R0.79 C=C(C)CN(CCC)CCC 2230a_100000210455_100000748629 [0,0,0,0,0,1|3,0,0]=4 447 B10R0.79 C=C(C)CN(CCC)CCC 269982a_100000210455_100000748629 [0,0,0,0,0,1|3,0,0]=4 448 B10R0.79 C=C(F)CN(CCC)CCC 2230a_100000210455_100009893438 [0,0,0,0,0,1|3,0,0]=4 449 B10R0.79 C=C(F)CN(CCC)CCC 269982a_100000210455_100009893438 [0,0,0,0,0,1|3,0,0]=4 450 B10R0.79 C=CCN(CCC)CC(=O)O 269956a_100000744315_100000210207 [0,0,0,0,0,1|1,0,2]=4 451 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,0,0,0,0,1|1,0,0]=2 452 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,0,0,0,0,1|1,0,0]=2 453 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,0,0,0,0,1|1,0,0]=2 454 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,0,0,0,0,1|1,0,0]=2 455 B10R0.79 CCCC(CCC)NC(C)C 2230a_100011207992_100000210206 [0,0,0,0,0,1|2,0,1]=4 456 B10R0.79 CCCC(CCC)NC(C)C 34a_100011207992_100000210206 [0,0,0,0,0,1|2,0,1]=4 457 B10R0.79 CCCC(CCC)NC(C)C 34a_100138425928_200011218217 [0,0,0,0,0,1|2,0,1]=4 458 B10R0.79 CCCC(CCC)OC(C)C 34a_100000212225_200011218217 [0,0,0,0,0,1|2,0,1]=4 459 B10R0.79 CCCC(CCC)OC(C)C 34a_200011218534_100000210206 [0,0,0,0,0,1|2,0,1]=4 460 B10R0.79 CCCC(CCC)OC(C)C 7a_200011218534_100000210206 [0,0,0,0,0,1|2,0,1]=4 461 B10R0.79 CCCC(CCC)SC(C)C 62a_100000210206_200011218217 [0,0,0,0,0,1|2,0,1]=4 462 B10R0.79 CCCC(CCC)SC(C)C 62a_200011218217_100000210206 [0,0,0,0,0,1|2,0,1]=4 463 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [0,0,0,0,0,1|2,0,0]=3 464 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [0,0,0,0,0,1|2,0,0]=3 465 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [0,0,0,0,0,1|2,0,0]=3 466 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [0,0,0,0,0,1|2,0,0]=3 467 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [0,0,0,0,0,1|1,0,1]=3 468 B10R0.79 CCCN(CCC)CC(C)O 2230a_100000210455_100011218427 [0,0,0,0,0,1|2,0,1]=4 469 B10R0.79 CCCN(CCC)CC(C)O 269982a_100000210455_100011218427 [0,0,0,0,0,1|2,0,1]=4 470 B10R0.79 CCCN(CCC)C[C@@H](C)O 2230a_100000210455_100009817552 [0,0,0,0,0,1|2,0,1]=4 471 B10R0.79 CCCN(CCC)C[C@@H](C)O 269982a_100000210455_100009817552 [0,0,0,0,0,1|2,0,1]=4 472 B10R0.79 CCCN(CCC)C[N+](=O)[O-] 269982a_100000210455_100000761209 [0,0,0,0,0,1|2,0,1]=4 473 B10R0.79 CCCN(CCO)CC(=O)N 2230a_100000211420_100000747473 [0,0,0,0,0,1|3,0,0]=4 474 B10R0.79 CCCN(CCO)CC(=O)N 269982a_100000211420_100000187820 [0,0,0,0,0,1|3,0,0]=4 475 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [0,0,0,0,0,1|2,0,0]=3 476 B10R0.79 CCCN(CCO)CC(=O)[O-] 269982a_100000211420_100020667443 [0,0,0,0,0,1|2,0,1]=4 477 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [0,0,0,0,0,1|2,0,0]=3 478 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [0,0,0,0,0,1|2,0,0]=3 479 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000070787_100000210512 [0,0,0,0,0,1|3,0,0]=4 480 B10R0.79 CCOC(CC(=O)C)OCC 1458a_100000082722_200000210301 [0,0,0,0,0,1|3,0,0]=4 481 B10R0.79 CCOC(CC(=O)[13CH3])OCC 1458a_100000082722_200025704644 [0,0,0,0,0,1|3,0,0]=4 482 B10R0.79 COCC(COC)NC(=O)C 11a_100011997029_100015343762 [0,0,0,0,0,1|3,0,0]=4 483 B10R0.79 COCC(COC)NC(=O)C 1626a_100011997029_100015343762 [0,0,0,0,0,1|3,0,0]=4 484 B10R0.79 COCC(COC)NC(=O)C 240690a_100011997029_100015343762 [0,0,0,0,0,1|3,0,0]=4 485 B10R0.79 COCC(COC)NC(=O)C 527a_100011997029_100103153847 [0,0,0,0,0,1|3,0,0]=4 486 B10R0.79 COCN(CCO)CC(=O)O 269956a_100000747938_100000766300 [0,0,0,0,0,1|3,0,0]=4 487 B10R0.79 CSCN(CCO)CC(=O)O 269956a_100000747938_100011218213 [0,0,0,0,0,1|3,0,0]=4 488 B10R0.79 O=C(O)CN(CCO)CCF 269956a_100000747938_100011217306 [0,0,0,0,0,1|3,0,0]=4 489 B10R0.79 O=C(O)CN(CCO)CCO 269956a_100000747938_100000211926 [0,0,0,0,0,1|3,0,0]=4 490 B7R0.5 CC(=O)C(C)CCO 1458a_100000070787_100009893172 [2,0,0,0,0,0|2,0,0]=4 491 B7R0.5 CC(=O)C(C)CO[13CH3] 34a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 492 B7R0.5 CC(=O)C(C)CO[13CH3] 7a_100000032740_200025704644 [2,0,0,0,0,0|2,0,0]=4 493 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,0]=3 494 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,0]=3 495 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,0]=3 496 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,0]=3 497 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 498 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 499 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 500 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 501 B7R0.5 CCC[C@H](O)C(=O)C 1458a_100009822183_200000210301 [2,0,0,0,0,0|2,0,0]=4 502 B7R0.5 CCC[C@H](O)C(=O)[13CH3] 1458a_100009822183_200025704644 [2,0,0,0,0,0|2,0,0]=4 503 B7R0.5 CCNC(C)C(=O)C 2230a_100015525214_100009814033 [2,0,0,0,0,0|2,0,0]=4 504 B7R0.5 CCNC(C)C(=O)N 2230a_100015525214_100000702099 [2,0,0,0,0,0|2,0,0]=4 505 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,0]=3 506 B7R0.5 CCN[C@H](C)C(=O)N 2230a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 507 B7R0.5 CCN[C@H](C)C(=O)N 34a_100000119354_100000210202 [2,0,0,0,0,0|2,0,0]=4 508 B7R0.5 CCOC(C)C(=O)C 1458a_100000739345_200000210301 [2,0,0,0,0,0|2,0,0]=4 509 B7R0.5 CCOC(C)C(=O)C 34a_100000212229_100000210202 [2,0,0,0,0,0|2,0,0]=4 510 B7R0.5 CCOC(C)C(=O)N 34a_100121572206_100000702099 [2,0,0,0,0,0|2,0,0]=4 511 B7R0.5 CCOC(C)C(=O)[13CH3] 1458a_100000739345_200025704644 [2,0,0,0,0,0|2,0,0]=4 512 B7R0.5 CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210202 [2,0,0,0,0,0|1,0,1]=4 513 B7R0.5 CCO[C@H](C)C(=O)N 34a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 514 B7R0.5 CCO[C@H](C)C(=O)N 7a_100000731257_100000210202 [2,0,0,0,0,0|2,0,0]=4 515 B7R0.5 CCSC(C)C(=O)C 1458a_100000230601_200000210301 [2,0,0,0,0,0|2,0,0]=4 516 B7R0.5 CCSC(C)C(=O)C 62a_100000210202_100009814033 [2,0,0,0,0,0|2,0,0]=4 517 B7R0.5 CCSC(C)C(=O)C 62a_100009814033_100000210202 [2,0,0,0,0,0|2,0,0]=4 518 B7R0.5 CCSC(C)C(=O)N 62a_100000210202_100000702099 [2,0,0,0,0,0|2,0,0]=4 519 B7R0.5 CCSC(C)C(=O)N 62a_100000702099_100000210202 [2,0,0,0,0,0|2,0,0]=4 520 B7R0.5 CCSC(C)C(=O)[13CH3] 1458a_100000230601_200025704644 [2,0,0,0,0,0|2,0,0]=4 521 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,0]=3 522 B7R0.5 CNCC(F)C(=O)O 269956a_100000084737_200000210301 [2,0,0,0,0,0|2,0,0]=4 523 B7R0.5 COCC(C)C(=O)C 1458a_100000070787_100000765312 [2,0,0,0,0,0|2,0,0]=4 524 B7R0.5 COCC(C)C(=O)C 1458a_100000751857_200000210301 [2,0,0,0,0,0|2,0,0]=4 525 B7R0.5 COCC(C)C(=O)C 34a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 526 B7R0.5 COCC(C)C(=O)C 7a_100000032740_200000210301 [2,0,0,0,0,0|2,0,0]=4 527 B7R0.5 COCC(C)C(=O)[13CH3] 1458a_100000751857_200025704644 [2,0,0,0,0,0|2,0,0]=4 528 B7R0.5 CSCC(C)C(=O)C 1458a_100000753918_200000210301 [2,0,0,0,0,0|2,0,0]=4 529 B7R0.5 CSCC(C)C(=O)[13CH3] 1458a_100000753918_200025704644 [2,0,0,0,0,0|2,0,0]=4 530 B7R0.5 C[C@H](NCF)C(=O)O 269956a_100000743915_100015361967 [2,0,0,0,0,0|2,0,0]=4 531 B7R0.5 [13CH3]NCC(F)C(=O)O 269956a_100000084737_200025704644 [2,0,0,0,0,0|2,0,0]=4 532 B7R0.12 C=CC(CC)OCC 34a_100000766422_100000210202 [2,0,0,0,0,0|2,0,0]=4 533 B7R0.12 C=CC(CC)OCC 7a_100000766422_100000210202 [2,0,0,0,0,0|2,0,0]=4 534 B7R0.12 C=CC(CCC)OC 34a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 535 B7R0.12 C=CC(CCC)OC 7a_100011216692_200000210301 [2,0,0,0,0,0|2,0,0]=4 536 B7R0.12 C=CC(CCC)O[13CH3] 34a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 537 B7R0.12 C=CC(CCC)O[13CH3] 7a_100011216692_200025704644 [2,0,0,0,0,0|2,0,0]=4 538 B7R0.12 CCCC(CC)NC 2230a_100000747048_200000210301 [2,0,0,0,0,0|2,0,0]=4 539 B7R0.12 CCCC(CC)NC 270004a_106832991635_100000687865 [2,0,0,0,0,0|2,0,0]=4 540 B7R0.12 CCCC(CC)NC 7a_106832991635_100011219200 [2,0,0,0,0,0|2,0,0]=4 541 B7R0.12 CCCC(CC)N[13CH3] 2230a_100000747048_200025704644 [2,0,0,0,0,0|2,0,0]=4 542 B7R0.12 CCCC(CC)OC 34a_100000687864_200000210301 [2,0,0,0,0,0|2,0,0]=4 543 B7R0.12 CCCC(CC)OC 7a_100000687864_200000210301 [2,0,0,0,0,0|2,0,0]=4 544 B7R0.12 CCCC(CC)O[13CH3] 34a_100000687864_200025704644 [2,0,0,0,0,0|2,0,0]=4 545 B7R0.12 CCCC(CC)O[13CH3] 7a_100000687864_200025704644 [2,0,0,0,0,0|2,0,0]=4 546 B7R0.12 CCCC(CC)SC 62a_100011219200_200000210301 [2,0,0,0,0,0|2,0,0]=4 547 B7R0.12 CCCC(CC)SC 62a_200000210301_100011219200 [2,0,0,0,0,0|2,0,0]=4 548 B7R0.12 CCCC(CC)S[13CH3] 62a_100011219200_200025704644 [2,0,0,0,0,0|2,0,0]=4 549 B7R0.12 CCCC(CC)S[13CH3] 62a_200025704644_100011219200 [2,0,0,0,0,0|2,0,0]=4 550 B7R0.12 CCC[C@@H](CO)NC 2230a_100000732646_200000210301 [2,0,0,0,0,0|1,0,1]=4 551 B7R0.12 CCC[C@@H](CO)NC 34a_100000732646_200000210301 [2,0,0,0,0,0|1,0,1]=4 552 B7R0.12 CCC[C@@H](CO)N[13CH3] 2230a_100000732646_200025704644 [2,0,0,0,0,0|1,0,1]=4 553 B7R0.12 CCC[C@@H](CO)N[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|1,0,1]=4 554 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [2,0,0,0,0,0|1,0,1]=4 555 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|1,0,0]=3 556 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|1,0,0]=3 557 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|1,0,0]=3 558 B7R0.15 CCC(NC)C(=O)N 2230a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 559 B7R0.15 CCC(NC)C(=O)N 2230a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 560 B7R0.15 CCC(NC)C(=O)N 34a_100000733705_200000210301 [2,0,0,0,0,0|2,0,0]=4 561 B7R0.15 CCC(NC)C(=O)N 34a_100102657272_100000750255 [2,0,0,0,0,0|2,0,0]=4 562 B7R0.15 CCC(NC)C(=O)N 7a_106832991635_100000750255 [2,0,0,0,0,0|2,0,0]=4 563 B7R0.15 CCC(N[13CH3])C(=O)N 2230a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 564 B7R0.15 CCC(N[13CH3])C(=O)N 34a_100000733705_200025704644 [2,0,0,0,0,0|2,0,0]=4 565 B7R0.15 CCC(OC)C(=O)C 1458a_100000747056_200000210301 [2,0,0,0,0,0|2,0,0]=4 566 B7R0.15 CCC(OC)C(=O)N 34a_100138415774_100000750255 [2,0,0,0,0,0|2,0,0]=4 567 B7R0.15 CCC(OC)C(=O)[13CH3] 1458a_100000747056_200025704644 [2,0,0,0,0,0|2,0,0]=4 568 B7R0.15 CCC(SC)C(=O)N 62a_100000750255_200000210301 [2,0,0,0,0,0|2,0,0]=4 569 B7R0.15 CCC(SC)C(=O)N 62a_200000210301_100000750255 [2,0,0,0,0,0|2,0,0]=4 570 B7R0.15 CCC(S[13CH3])C(=O)N 62a_100000750255_200025704644 [2,0,0,0,0,0|2,0,0]=4 571 B7R0.15 CCC(S[13CH3])C(=O)N 62a_200025704644_100000750255 [2,0,0,0,0,0|2,0,0]=4 572 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 573 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 574 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 575 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [2,0,0,0,0,0|2,0,0]=4 576 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|1,0,0]=3 577 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|1,0,0]=3 578 B7R0.15 CNC(CO)C(=O)O 269956a_100000187304_200000210301 [2,0,0,0,0,0|2,0,0]=4 579 B7R0.15 [13CH3]NC(CO)C(=O)O 269956a_100000187304_200025704644 [2,0,0,0,0,0|2,0,0]=4 580 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,1]=3 581 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|1,0,1]=4 582 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,1]=4 583 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,1]=4 584 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|1,0,1]=4 585 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|1,0,1]=4 586 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|1,0,1]=4 587 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|1,0,1]=4 588 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|1,0,1]=4 589 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|1,0,1]=4 590 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|1,0,1]=4 591 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|1,0,1]=4 592 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,1]=4 593 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,1]=4 594 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,1]=4 595 B7R0.7 CCCC(C)CNC 2230a_106832991635_100011216630 [2,0,0,0,0,0|1,0,1]=4 596 B7R0.7 CCCC(C)CNC 270004a_106832991635_100000243154 [2,0,0,0,0,0|1,0,1]=4 597 B7R0.7 CCCC(C)CNC 34a_100102657272_100011216630 [2,0,0,0,0,0|1,0,1]=4 598 B7R0.7 CCCC(C)CNC 7a_106832991635_100011216630 [2,0,0,0,0,0|1,0,1]=4 599 B7R0.7 CCCC(C)COC 34a_100000688023_200000210301 [2,0,0,0,0,0|1,0,1]=4 600 B7R0.7 CCCC(C)COC 34a_100138415774_100011216630 [2,0,0,0,0,0|1,0,1]=4 601 B7R0.7 CCCC(C)COC 7a_100000688023_200000210301 [2,0,0,0,0,0|1,0,1]=4 602 B7R0.7 CCCC(C)CO[13CH3] 34a_100000688023_200025704644 [2,0,0,0,0,0|1,0,1]=4 603 B7R0.7 CCCC(C)CO[13CH3] 7a_100000688023_200025704644 [2,0,0,0,0,0|1,0,1]=4 604 B7R0.7 CCCC(C)CSC 62a_100011216630_200000210301 [2,0,0,0,0,0|1,0,1]=4 605 B7R0.7 CCCC(C)CSC 62a_200000210301_100011216630 [2,0,0,0,0,0|1,0,1]=4 606 B7R0.7 CCCC(C)CS[13CH3] 62a_100011216630_200025704644 [2,0,0,0,0,0|1,0,1]=4 607 B7R0.7 CCCC(C)CS[13CH3] 62a_200025704644_100011216630 [2,0,0,0,0,0|1,0,1]=4 608 B7R0.7 CCCC(C)NCC 2230a_100000741246_100000210202 [2,0,0,0,0,0|1,0,1]=4 609 B7R0.7 CCCC(C)NCC 2230a_100015525214_100000766640 [2,0,0,0,0,0|1,0,1]=4 610 B7R0.7 CCCC(C)NCC 270004a_100015525214_100000211909 [2,0,0,0,0,0|1,0,1]=4 611 B7R0.7 CCCC(C)OCC 34a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 612 B7R0.7 CCCC(C)OCC 34a_100121572206_100000766640 [2,0,0,0,0,0|1,0,1]=4 613 B7R0.7 CCCC(C)OCC 7a_100000764384_100000210202 [2,0,0,0,0,0|1,0,1]=4 614 B7R0.7 CCCC(C)SCC 62a_100000210202_100000766640 [2,0,0,0,0,0|1,0,1]=4 615 B7R0.7 CCCC(C)SCC 62a_100000766640_100000210202 [2,0,0,0,0,0|1,0,1]=4 616 B7R0.7 CCCN(C)CCC 2230a_100000210455_200000210301 [2,0,0,0,0,0|1,0,1]=4 617 B7R0.7 CCCN(C)CCC 2230a_100000747261_100000210303 [2,0,0,0,0,0|1,0,1]=4 618 B7R0.7 CCCN(C)CCC 269982a_100000210455_200000210301 [2,0,0,0,0,0|1,0,1]=4 619 B7R0.7 CCCN(C)CCC 269982a_100000747261_100000210303 [2,0,0,0,0,0|1,0,1]=4 620 B7R0.7 CCCN([13CH3])CCC 2230a_100000210455_200025704644 [2,0,0,0,0,0|1,0,1]=4 621 B7R0.7 CCCN([13CH3])CCC 269982a_100000210455_200025704644 [2,0,0,0,0,0|1,0,1]=4 622 B7R0.7 CCC[C@H](N)COC 34a_100000732646_200000210301 [2,0,0,0,0,0|2,0,0]=4 623 B7R0.7 CCC[C@H](N)CO[13CH3] 34a_100000732646_200025704644 [2,0,0,0,0,0|2,0,0]=4 624 B7R0.7 CNCC(O)COC 2230a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 625 B7R0.7 CNCC(O)COC 34a_100000756049_200000210301 [2,0,0,0,0,0|2,0,0]=4 626 B7R0.7 CNCC(O)COC 34a_100102657272_100011215053 [2,0,0,0,0,0|2,0,0]=4 627 B7R0.7 CNCC(O)COC 7a_106832991635_100011215053 [2,0,0,0,0,0|2,0,0]=4 628 B7R0.7 COCC(O)CN[13CH3] 2230a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 629 B7R0.7 COCC(O)CN[13CH3] 34a_100000756049_200025704644 [2,0,0,0,0,0|2,0,0]=4 630 B7R0.7 COCC(O)COC 34a_100138415774_100011215053 [2,0,0,0,0,0|2,0,0]=4 631 B7R0.7 COCC(O)CSC 62a_100011215053_200000210301 [2,0,0,0,0,0|2,0,0]=4 632 B7R0.7 COCC(O)CSC 62a_200000210301_100011215053 [2,0,0,0,0,0|2,0,0]=4 633 B7R0.7 COCC(O)CS[13CH3] 62a_100011215053_200025704644 [2,0,0,0,0,0|2,0,0]=4 634 B7R0.7 COCC(O)CS[13CH3] 62a_200025704644_100011215053 [2,0,0,0,0,0|2,0,0]=4 635 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [1,1,0,0,0,0|1,0,0]=3 636 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [1,1,0,0,0,0|1,0,0]=3 637 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [1,1,0,0,0,0|2,0,0]=4 638 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [1,1,0,0,0,0|2,0,0]=4 639 B9R0.12 CCC(OCF)C(=O)OC 34a_100000695916_100015361967 [1,1,0,0,0,0|2,0,0]=4 640 B9R0.12 CCC(OCF)C(=O)OC 7a_100000695916_100015361967 [1,1,0,0,0,0|2,0,0]=4 641 B9R0.12 CCC(SCF)C(=O)OC 62a_100000235869_100015361967 [1,1,0,0,0,0|2,0,0]=4 642 B9R0.12 CCC(SCF)C(=O)OC 62a_100015361967_100000235869 [1,1,0,0,0,0|2,0,0]=4 643 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,0]=3 644 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,0]=3 645 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|1,0,0]=3 646 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|0,0,0]=2 647 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|1,0,0]=3 648 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 649 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 650 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|1,0,0]=3 651 B9R0.12 CCCC(NC)C(=O)NC 2230a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 652 B9R0.12 CCCC(NC)C(=O)NC 34a_106256046333_200000210301 [1,1,0,0,0,0|2,0,0]=4 653 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|1,0,0]=3 654 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|1,0,0]=3 655 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|1,0,0]=3 656 B9R0.12 CCCC(N[13CH3])C(=O)NC 2230a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 657 B9R0.12 CCCC(N[13CH3])C(=O)NC 34a_106256046333_200025704644 [1,1,0,0,0,0|2,0,0]=4 658 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|1,0,0]=3 659 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|1,0,0]=3 660 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|1,0,0]=3 661 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|1,0,0]=3 662 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|1,0,0]=3 663 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 664 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 665 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 666 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 667 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [1,1,0,0,0,0|1,0,0]=3 668 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [1,1,0,0,0,0|1,0,0]=3 669 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 670 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 671 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [1,1,0,0,0,0|2,0,0]=4 672 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [1,1,0,0,0,0|2,0,0]=4 673 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|1,0,0]=3 674 B9R0.12 CCN[C@@H](CC)C(=O)NC 2230a_106657271573_100000210202 [1,1,0,0,0,0|2,0,0]=4 675 B9R0.12 CCN[C@@H](CC)C(=O)NC 34a_106657271573_100000210202 [1,1,0,0,0,0|2,0,0]=4 676 B9R0.12 CCOC(CC)C(=O)CC 34a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 677 B9R0.12 CCOC(CC)C(=O)CC 7a_200011218131_100000210202 [1,1,0,0,0,0|2,0,0]=4 678 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [1,1,0,0,0,0|1,0,0]=3 679 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [1,1,0,0,0,0|1,0,0]=3 680 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [1,1,0,0,0,0|1,0,0]=3 681 B9R0.12 CCOC(CN)C(=O)OC 34a_100000695228_100000210202 [1,1,0,0,0,0|2,0,0]=4 682 B9R0.12 CCOC(CO)C(=O)OC 34a_100121572206_100012276630 [1,1,0,0,0,0|2,0,0]=4 683 B9R0.12 CCOC(OC)C(=O)OC 34a_100000036821_100000210202 [1,1,0,0,0,0|2,0,0]=4 684 B9R0.12 CCOC(OC)C(=O)OC 34a_100121572206_100000101307 [1,1,0,0,0,0|2,0,0]=4 685 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [1,1,0,0,0,0|1,0,0]=3 686 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [1,1,0,0,0,0|1,0,0]=3 687 B9R0.12 CCSC(CO)C(=O)OC 62a_100000210202_100012276630 [1,1,0,0,0,0|2,0,0]=4 688 B9R0.12 CCSC(CO)C(=O)OC 62a_100012276630_100000210202 [1,1,0,0,0,0|2,0,0]=4 689 B9R0.12 CCSC(OC)C(=O)OC 62a_100000101307_100000210202 [1,1,0,0,0,0|2,0,0]=4 690 B9R0.12 CCSC(OC)C(=O)OC 62a_100000210202_100000101307 [1,1,0,0,0,0|2,0,0]=4 691 B9R0.12 CNC(COC)C(=O)OC 34a_100102657272_100000717350 [1,1,0,0,0,0|2,0,0]=4 692 B9R0.12 COCC(OC)C(=O)OC 34a_100138415774_100000717350 [1,1,0,0,0,0|2,0,0]=4 693 B9R0.12 COCC(SC)C(=O)OC 62a_100000717350_200000210301 [1,1,0,0,0,0|2,0,0]=4 694 B9R0.12 COCC(SC)C(=O)OC 62a_200000210301_100000717350 [1,1,0,0,0,0|2,0,0]=4 695 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_100000717350_200025704644 [1,1,0,0,0,0|2,0,0]=4 696 B9R0.12 COCC(S[13CH3])C(=O)OC 62a_200025704644_100000717350 [1,1,0,0,0,0|2,0,0]=4 697 B9R0.13 C#CCN[C@H](CC)C(=O)O 269956a_100000747097_100000184674 [1,1,0,0,0,0|0,0,2]=4 698 B9R0.13 C=CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210623 [1,1,0,0,0,0|0,0,2]=4 699 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|0,0,2]=4 700 B9R0.13 CCC(NCCF)C(=O)N 2230a_100000733705_100011217306 [1,1,0,0,0,0|2,0,0]=4 701 B9R0.13 CCC(NCCF)C(=O)N 34a_100000724931_100000750255 [1,1,0,0,0,0|2,0,0]=4 702 B9R0.13 CCC(NCCF)C(=O)N 34a_100000733705_100011217306 [1,1,0,0,0,0|2,0,0]=4 703 B9R0.13 CCC(NCCO)C(=O)N 2230a_100000733705_100000211926 [1,1,0,0,0,0|2,0,0]=4 704 B9R0.13 CCC(NCCO)C(=O)N 2230a_100016997473_100000750255 [1,1,0,0,0,0|2,0,0]=4 705 B9R0.13 CCC(NCCO)C(=O)N 34a_100000733705_100000211926 [1,1,0,0,0,0|2,0,0]=4 706 B9R0.13 CCC(NCCO)C(=O)N 34a_100016990907_100000750255 [1,1,0,0,0,0|2,0,0]=4 707 B9R0.13 CCC(NCOC)C(=O)N 2230a_100000733705_100000766300 [1,1,0,0,0,0|2,0,0]=4 708 B9R0.13 CCC(NCSC)C(=O)N 2230a_100000733705_100011218213 [1,1,0,0,0,0|2,0,0]=4 709 B9R0.13 CCC(NCSC)C(=O)N 34a_100000733705_100011218213 [1,1,0,0,0,0|2,0,0]=4 710 B9R0.13 CCC(OCCBr)C(=O)N 34a_100000211926_100000750255 [1,1,0,0,0,0|2,0,0]=4 711 B9R0.13 CCC(OCCN)C(=O)N 34a_100000210304_100000750255 [1,1,0,0,0,0|2,0,0]=4 712 B9R0.13 CCC(SCCF)C(=O)N 62a_100000750255_100011217306 [1,1,0,0,0,0|2,0,0]=4 713 B9R0.13 CCC(SCCF)C(=O)N 62a_100011217306_100000750255 [1,1,0,0,0,0|2,0,0]=4 714 B9R0.13 CCC(SCCO)C(=O)N 62a_100000211926_100000750255 [1,1,0,0,0,0|2,0,0]=4 715 B9R0.13 CCC(SCCO)C(=O)N 62a_100000750255_100000211926 [1,1,0,0,0,0|2,0,0]=4 716 B9R0.13 CCC(SCOC)C(=O)N 62a_100000750255_100000766300 [1,1,0,0,0,0|2,0,0]=4 717 B9R0.13 CCC(SCOC)C(=O)N 62a_100000766300_100000750255 [1,1,0,0,0,0|2,0,0]=4 718 B9R0.13 CCC(SCSC)C(=O)N 62a_100000750255_100011218213 [1,1,0,0,0,0|2,0,0]=4 719 B9R0.13 CCC(SCSC)C(=O)N 62a_100011218213_100000750255 [1,1,0,0,0,0|2,0,0]=4 720 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|1,0,0]=3 721 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|1,0,0]=3 722 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|1,0,0]=3 723 B9R0.13 CCCCC(NC)C(=O)N 2230a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 724 B9R0.13 CCCCC(NC)C(=O)N 34a_100102657272_100000748834 [1,1,0,0,0,0|2,0,0]=4 725 B9R0.13 CCCCC(NC)C(=O)N 7a_106832991635_100000748834 [1,1,0,0,0,0|2,0,0]=4 726 B9R0.13 CCCCC(OC)C(=O)N 34a_100138415774_100000748834 [1,1,0,0,0,0|2,0,0]=4 727 B9R0.13 CCCCC(SC)C(=O)N 62a_100000748834_200000210301 [1,1,0,0,0,0|2,0,0]=4 728 B9R0.13 CCCCC(SC)C(=O)N 62a_200000210301_100000748834 [1,1,0,0,0,0|2,0,0]=4 729 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_100000748834_200025704644 [1,1,0,0,0,0|2,0,0]=4 730 B9R0.13 CCCCC(S[13CH3])C(=O)N 62a_200025704644_100000748834 [1,1,0,0,0,0|2,0,0]=4 731 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 732 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 733 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 734 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,1,0,0,0,0|2,0,0]=4 735 B9R0.13 CCCC[C@H](NC)C(=O)N 2230a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 736 B9R0.13 CCCC[C@H](NC)C(=O)N 34a_100000124899_200000210301 [1,1,0,0,0,0|2,0,0]=4 737 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 2230a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 738 B9R0.13 CCCC[C@H](N[13CH3])C(=O)N 34a_100000124899_200025704644 [1,1,0,0,0,0|2,0,0]=4 739 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,1,0,0,0,0|1,0,0]=3 740 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,1,0,0,0,0|1,0,0]=3 741 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|1,0,0]=3 742 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 2230a_100161114882_100000210303 [1,1,0,0,0,0|1,0,1]=4 743 B9R0.13 CCCN[C@@H](CC)[C@@H](C)O 34a_100161114882_100000210303 [1,1,0,0,0,0|1,0,1]=4 744 B9R0.13 CCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 745 B9R0.13 CCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210303 [1,1,0,0,0,0|2,0,0]=4 746 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|0,0,0]=2 747 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,1,0,0,0,0|1,0,0]=3 748 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|1,0,0]=3 749 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|1,0,0]=3 750 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 751 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 752 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 753 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [1,1,0,0,0,0|2,0,0]=4 754 B9R0.13 CC[C@@H](NCC#N)C(=O)O 269956a_100000747097_100011215382 [1,1,0,0,0,0|1,0,1]=4 755 B9R0.13 CC[C@@H](NCC=O)C(=O)O 269956a_100000747097_200015260668 [1,1,0,0,0,0|1,0,1]=4 756 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|1,0,0]=3 757 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|1,0,0]=3 758 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|1,0,0]=3 759 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|1,0,0]=3 760 B9R0.13 CN[C@@H](CCSC)C(=O)N 2230a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 761 B9R0.13 CN[C@@H](CCSC)C(=O)N 34a_100000119342_200000210301 [1,1,0,0,0,0|2,0,0]=4 762 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,0]=3 763 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,0]=3 764 B9R0.13 COCNC(CO)C(=O)O 269956a_100000187304_100000766300 [1,1,0,0,0,0|2,0,0]=4 765 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 2230a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 766 B9R0.13 CSCC[C@H](N[13CH3])C(=O)N 34a_100000119342_200025704644 [1,1,0,0,0,0|2,0,0]=4 767 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,0]=3 768 B9R0.13 CSCNC(CO)C(=O)O 269956a_100000187304_100011218213 [1,1,0,0,0,0|2,0,0]=4 769 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,0]=3 770 B9R0.13 O=C(O)C(CO)NCCF 269956a_100000187304_100011217306 [1,1,0,0,0,0|2,0,0]=4 771 B9R0.13 O=C(O)C(CO)NCCO 269956a_100000187304_100000211926 [1,1,0,0,0,0|2,0,0]=4 772 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [1,1,0,0,0,0|1,0,1]=4 773 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [1,1,0,0,0,0|2,0,0]=4 774 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [1,1,0,0,0,0|2,0,0]=4 775 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [1,1,0,0,0,0|2,0,0]=4 776 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [1,1,0,0,0,0|2,0,0]=4 777 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 778 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 779 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 780 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [1,1,0,0,0,0|2,0,0]=4 781 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,1,0,0,0,0|2,0,0]=4 782 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [1,1,0,0,0,0|2,0,0]=4 783 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [1,1,0,0,0,0|2,0,0]=4 784 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,1,0,0,0,0|1,0,0]=3 785 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,1,0,0,0,0|1,0,0]=3 786 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [1,1,0,0,0,0|2,0,0]=4 787 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [1,1,0,0,0,0|2,0,0]=4 788 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [1,1,0,0,0,0|2,0,0]=4 789 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [1,1,0,0,0,0|2,0,0]=4 790 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [1,1,0,0,0,0|2,0,0]=4 791 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [1,1,0,0,0,0|2,0,0]=4 792 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 793 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 794 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 795 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [1,1,0,0,0,0|2,0,0]=4 796 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|1,0,0]=3 797 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,1,0,0,0,0|1,0,0]=3 798 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [1,1,0,0,0,0|2,0,0]=4 799 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [1,1,0,0,0,0|2,0,0]=4 800 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [1,1,0,0,0,0|2,0,0]=4 801 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [1,1,0,0,0,0|2,0,0]=4 802 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [1,1,0,0,0,0|2,0,0]=4 803 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [1,1,0,0,0,0|2,0,0]=4 804 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 2230a_100016989234_200025704644 [1,1,0,0,0,0|2,0,0]=4 805 B9R0.39 CC(C)C[C@H](N[13CH3])C(=O)N 34a_100016989234_200025704644 [1,1,0,0,0,0|2,0,0]=4 806 B9R0.39 CC(C)NC(CO)C(=O)O 269956a_100000187304_100000210206 [1,1,0,0,0,0|2,0,0]=4 807 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100000733705_100000210206 [1,1,0,0,0,0|2,0,0]=4 808 B9R0.39 CCC(NC(C)C)C(=O)N 2230a_100138425928_100000750255 [1,1,0,0,0,0|2,0,0]=4 809 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100000733705_100000210206 [1,1,0,0,0,0|2,0,0]=4 810 B9R0.39 CCC(NC(C)C)C(=O)N 34a_100138425928_100000750255 [1,1,0,0,0,0|2,0,0]=4 811 B9R0.39 CCC(OC(C)C)C(=O)N 34a_100000212225_100000750255 [1,1,0,0,0,0|2,0,0]=4 812 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000210206_100000750255 [1,1,0,0,0,0|2,0,0]=4 813 B9R0.39 CCC(SC(C)C)C(=O)N 62a_100000750255_100000210206 [1,1,0,0,0,0|2,0,0]=4 814 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 815 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 816 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 817 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [1,1,0,0,0,0|2,0,0]=4 818 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [1,1,0,0,0,0|2,0,0]=4 819 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [1,1,0,0,0,0|2,0,0]=4 820 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [1,1,0,0,0,0|1,0,0]=3 821 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_200000210301 [1,1,0,0,0,0|2,0,0]=4 822 B9R0.39 CN[C@@H](CC(C)C)C(=O)N 34a_100016989234_200000210301 [1,1,0,0,0,0|2,0,0]=4 823 B9R0.39 CN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_200000210301 [1,1,0,0,0,0|2,0,0]=4 824 B9R0.39 CS(=O)C[C@H](N[13CH3])C(=O)O 269956a_100009817418_200025704644 [1,1,0,0,0,0|2,0,0]=4 825 B9R0.74 CCC(C)(NCF)C(=O)O 269956a_100025756313_100015361967 [1,1,0,0,0,0|2,0,0]=4 826 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,0,0,0,0|1,0,0]=3 827 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,0,0,0,0|1,0,0]=3 828 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,0,0,0,0|1,0,0]=3 829 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [1,1,0,0,0,0|1,0,0]=3 830 B9R0.14 C=CC(CC(C)C)OCC 34a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 831 B9R0.14 C=CC(CC(C)C)OCC 7a_100012186643_100000210202 [1,1,0,0,0,0|2,0,0]=4 832 B9R0.14 C=CC(CCC)OC(C)C 34a_100011216692_100000210206 [1,1,0,0,0,0|2,0,0]=4 833 B9R0.14 C=CC(CCC)OC(C)C 7a_100011216692_100000210206 [1,1,0,0,0,0|2,0,0]=4 834 B9R0.14 CC(C)CC(CO)CN[13CH3] 34a_200000723437_200025704644 [1,1,0,0,0,0|1,0,1]=4 835 B9R0.14 CCCC(CC(C)C)OC 34a_100011351045_200000210301 [1,1,0,0,0,0|2,0,0]=4 836 B9R0.14 CCCC(CC(C)C)OC 7a_100011351045_200000210301 [1,1,0,0,0,0|2,0,0]=4 837 B9R0.14 CCCC(CC(C)C)O[13CH3] 34a_100011351045_200025704644 [1,1,0,0,0,0|2,0,0]=4 838 B9R0.14 CCCC(CC(C)C)O[13CH3] 7a_100011351045_200025704644 [1,1,0,0,0,0|2,0,0]=4 839 B9R0.14 CCC[C@@H](CO)NC(C)C 2230a_100000732646_100000210206 [1,1,0,0,0,0|1,0,1]=4 840 B9R0.14 CCC[C@@H](CO)NC(C)C 34a_100000732646_100000210206 [1,1,0,0,0,0|1,0,1]=4 841 B9R0.14 CCN[C@H](CO)CC(C)C 2230a_100011830311_100000210202 [1,1,0,0,0,0|1,0,1]=4 842 B9R0.14 CCN[C@H](CO)CC(C)C 34a_100011830311_100000210202 [1,1,0,0,0,0|1,0,1]=4 843 B9R0.14 CNCC(CO)CC(C)C 34a_200000723437_200000210301 [1,1,0,0,0,0|1,0,1]=4 844 B9R0.17 C/C=C/C(CCC)OCC 34a_200016264281_100000210202 [1,1,0,0,0,0|2,0,0]=4 845 B9R0.17 C/C=C/C(CCC)OCC 7a_200016264281_100000210202 [1,1,0,0,0,0|2,0,0]=4 846 B9R0.17 C=CCC(CCC)OCC 34a_100011215139_100000210202 [1,1,0,0,0,0|2,0,0]=4 847 B9R0.17 C=CCC(CCC)OCC 7a_100011215139_100000210202 [1,1,0,0,0,0|2,0,0]=4 848 B9R0.17 C=CCN(CCC)CCC 2230a_100000210455_100000210623 [1,1,0,0,0,0|2,0,0]=4 849 B9R0.17 C=CCN(CCC)CCC 269982a_100000210455_100000210623 [1,1,0,0,0,0|2,0,0]=4 850 B9R0.17 CCCC(CCC)COC 34a_200011215456_200000210301 [1,1,0,0,0,0|0,0,1]=3 851 B9R0.17 CCCC(CCC)COC 7a_200011215456_200000210301 [1,1,0,0,0,0|0,0,1]=3 852 B9R0.17 CCCC(CCC)CO[13CH3] 34a_200011215456_200025704644 [1,1,0,0,0,0|0,0,1]=3 853 B9R0.17 CCCC(CCC)CO[13CH3] 7a_200011215456_200025704644 [1,1,0,0,0,0|0,0,1]=3 854 B9R0.17 CCCC(CCC)NCC 2230a_100011207992_100000210202 [1,1,0,0,0,0|1,0,1]=4 855 B9R0.17 CCCC(CCC)NCC 270004a_100015525214_100000210088 [1,1,0,0,0,0|1,0,1]=4 856 B9R0.17 CCCC(CCC)NCC 34a_100011207992_100000210202 [1,1,0,0,0,0|1,0,1]=4 857 B9R0.17 CCCC(CCC)NCF 34a_100011207992_100015361967 [1,1,0,0,0,0|1,0,1]=4 858 B9R0.17 CCCC(CCC)OCC 34a_100121572206_200011218217 [1,1,0,0,0,0|1,0,1]=4 859 B9R0.17 CCCC(CCC)OCC 34a_200011218534_100000210202 [1,1,0,0,0,0|1,0,1]=4 860 B9R0.17 CCCC(CCC)OCC 7a_200011218534_100000210202 [1,1,0,0,0,0|1,0,1]=4 861 B9R0.17 CCCC(CCC)OCF 34a_200011218534_100015361967 [1,1,0,0,0,0|1,0,1]=4 862 B9R0.17 CCCC(CCC)OCF 7a_200011218534_100015361967 [1,1,0,0,0,0|1,0,1]=4 863 B9R0.17 CCCC(CCC)SCC 62a_100000210202_200011218217 [1,1,0,0,0,0|1,0,1]=4 864 B9R0.17 CCCC(CCC)SCC 62a_200011218217_100000210202 [1,1,0,0,0,0|1,0,1]=4 865 B9R0.17 CCCC(CCC)SCF 62a_100015361967_200011218217 [1,1,0,0,0,0|1,0,1]=4 866 B9R0.17 CCCC(CCC)SCF 62a_200011218217_100015361967 [1,1,0,0,0,0|1,0,1]=4 867 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [1,1,0,0,0,0|1,0,0]=3 868 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [1,1,0,0,0,0|1,0,0]=3 869 B9R0.17 CCCN(CC=O)CCO 2230a_100000211420_200015260668 [1,1,0,0,0,0|2,0,0]=4 870 B9R0.17 CCCN(CC=O)CCO 269982a_100000211420_200015260668 [1,1,0,0,0,0|2,0,0]=4 871 B9R0.17 CCCN(CCC)CCO 2230a_100000210455_100000211926 [1,1,0,0,0,0|1,0,1]=4 872 B9R0.17 CCCN(CCC)CCO 2230a_100000211420_100000210303 [1,1,0,0,0,0|1,0,1]=4 873 B9R0.17 CCCN(CCC)CCO 269982a_100000210455_100000211926 [1,1,0,0,0,0|1,0,1]=4 874 B9R0.17 CCCN(CCC)CCO 269982a_100000211420_100000210303 [1,1,0,0,0,0|1,0,1]=4 875 B9R0.17 CCCN(CCC)COC 2230a_100000210455_100000766300 [1,1,0,0,0,0|1,0,1]=4 876 B9R0.17 CCCN(CCC)COC 269982a_100000210455_100000766300 [1,1,0,0,0,0|1,0,1]=4 877 B9R0.17 CCC[C@@H](CCO)NCC 2230a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 878 B9R0.17 CCC[C@@H](CCO)NCC 34a_100015193777_100000210202 [1,1,0,0,0,0|1,0,1]=4 879 B9R0.40 C#CC(CCC)OCCC 34a_200011217317_100000210303 [1,1,0,0,0,0|1,0,1]=4 880 B9R0.40 C#CC(CCC)OCCC 7a_200011217317_100000210303 [1,1,0,0,0,0|1,0,1]=4 881 B9R0.40 C=CC(CCC)OCCC 34a_100011216692_100000210303 [1,1,0,0,0,0|1,0,0]=3 882 B9R0.40 C=CC(CCC)OCCC 7a_100011216692_100000210303 [1,1,0,0,0,0|1,0,0]=3 883 B9R0.40 C=CC(CCC)OCCF 34a_100011216692_100011217306 [1,1,0,0,0,0|2,0,0]=4 884 B9R0.40 C=CC(CCC)OCCF 7a_100011216692_100011217306 [1,1,0,0,0,0|2,0,0]=4 885 B9R0.40 C=CC(CCC)OCCO 34a_100011216692_100000211926 [1,1,0,0,0,0|2,0,0]=4 886 B9R0.40 C=CC(CCC)OCCO 7a_100011216692_100000211926 [1,1,0,0,0,0|2,0,0]=4 887 B9R0.40 C=CC(CCC)OCSC 34a_100011216692_100011218213 [1,1,0,0,0,0|2,0,0]=4 888 B9R0.40 C=CC(CCCC)OCC 34a_200011215037_100000210202 [1,1,0,0,0,0|2,0,0]=4 889 B9R0.40 C=CC(CCCC)OCC 7a_200011215037_100000210202 [1,1,0,0,0,0|2,0,0]=4 890 B9R0.40 CCCC(CCOC)SC 34a_100000032865_200000210301 [1,1,0,0,0,0|2,0,0]=4 891 B9R0.40 CCCC(CCOC)SC 7a_100000032865_200000210301 [1,1,0,0,0,0|2,0,0]=4 892 B9R0.40 CCCC(CCO[13CH3])SC 34a_100000032865_200025704644 [1,1,0,0,0,0|2,0,0]=4 893 B9R0.40 CCCC(CCO[13CH3])SC 7a_100000032865_200025704644 [1,1,0,0,0,0|2,0,0]=4 894 B9R0.40 CCCCC(CCC)NC 34a_100102657272_100000211913 [1,1,0,0,0,0|2,0,0]=4 895 B9R0.40 CCCCC(CCC)NC 7a_106832991635_100000211913 [1,1,0,0,0,0|2,0,0]=4 896 B9R0.40 CCCCC(CCC)OC 34a_100011215800_200000210301 [1,1,0,0,0,0|2,0,0]=4 897 B9R0.40 CCCCC(CCC)OC 34a_100138415774_100000211913 [1,1,0,0,0,0|2,0,0]=4 898 B9R0.40 CCCCC(CCC)OC 7a_100011215800_200000210301 [1,1,0,0,0,0|2,0,0]=4 899 B9R0.40 CCCCC(CCC)O[13CH3] 34a_100011215800_200025704644 [1,1,0,0,0,0|2,0,0]=4 900 B9R0.40 CCCCC(CCC)O[13CH3] 7a_100011215800_200025704644 [1,1,0,0,0,0|2,0,0]=4 901 B9R0.40 CCCCC(CCC)SC 62a_100000211913_200000210301 [1,1,0,0,0,0|2,0,0]=4 902 B9R0.40 CCCCC(CCC)SC 62a_200000210301_100000211913 [1,1,0,0,0,0|2,0,0]=4 903 B9R0.40 CCCCC(CCC)S[13CH3] 62a_100000211913_200025704644 [1,1,0,0,0,0|2,0,0]=4 904 B9R0.40 CCCCC(CCC)S[13CH3] 62a_200025704644_100000211913 [1,1,0,0,0,0|2,0,0]=4 905 B9R0.40 CCCC[C@@H](CO)NCC 2230a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 906 B9R0.40 CCCC[C@@H](CO)NCC 34a_100011934283_100000210202 [1,1,0,0,0,0|1,0,1]=4 907 B9R0.40 CCCNC(CC)CCC 2230a_100000747048_100000210303 [1,1,0,0,0,0|1,0,1]=4 908 B9R0.40 CCCNC(CC)CCC 270004a_100020643023_100000687865 [1,1,0,0,0,0|1,0,1]=4 909 B9R0.40 CCCNC(CO)COC 2230a_100000724102_100000210303 [1,1,0,0,0,0|1,0,1]=4 910 B9R0.40 CCCNC(CO)COC 34a_100000724102_100000210303 [1,1,0,0,0,0|1,0,1]=4 911 B9R0.40 CCCN[C@H](CO)CCC 2230a_100000732646_100000210303 [1,1,0,0,0,0|0,0,1]=3 912 B9R0.40 CCCN[C@H](CO)CCC 34a_100000732646_100000210303 [1,1,0,0,0,0|0,0,1]=3 913 B9R0.40 CCCOC(C#N)CCC 34a_100000686963_100000210303 [1,1,0,0,0,0|1,0,1]=4 914 B9R0.40 CCCOC(C#N)CCC 7a_100000686963_100000210303 [1,1,0,0,0,0|1,0,1]=4 915 B9R0.40 CCCOC(CC)CCC 34a_100000687864_100000210303 [1,1,0,0,0,0|1,0,1]=4 916 B9R0.40 CCCOC(CC)CCC 7a_100000687864_100000210303 [1,1,0,0,0,0|1,0,1]=4 917 B9R0.40 CCCSC(CC)CCC 62a_100000210303_100011219200 [1,1,0,0,0,0|1,0,1]=4 918 B9R0.40 CCCSC(CC)CCC 62a_100011219200_100000210303 [1,1,0,0,0,0|1,0,1]=4 919 B9R0.40 CCC[C@@H](CO)NCCF 2230a_100000732646_100011217306 [1,1,0,0,0,0|1,0,1]=4 920 B9R0.40 CCC[C@@H](CO)NCCF 34a_100000732646_100011217306 [1,1,0,0,0,0|1,0,1]=4 921 B9R0.40 CCC[C@@H](CO)NCCO 2230a_100000732646_100000211926 [1,1,0,0,0,0|1,0,1]=4 922 B9R0.40 CCC[C@@H](CO)NCCO 34a_100000732646_100000211926 [1,1,0,0,0,0|1,0,1]=4 923 B9R0.40 CCC[C@@H](CO)NCOC 2230a_100000732646_100000766300 [1,1,0,0,0,0|1,0,1]=4 924 B9R0.40 CCC[C@@H](CO)NCSC 2230a_100000732646_100011218213 [1,1,0,0,0,0|1,0,1]=4 925 B9R0.40 CCC[C@@H](CO)NCSC 34a_100000732646_100011218213 [1,1,0,0,0,0|1,0,1]=4 926 B9R0.40 CCN[C@H](CO)CCSC 2230a_100011827619_100000210202 [1,1,0,0,0,0|1,0,1]=4 927 B9R0.59 CCCC(C)(CCC)OC 7a_200011219694_200000210301 [1,1,0,0,0,0|2,0,0]=4 928 B9R0.59 CCCC(C)(CCC)O[13CH3] 7a_200011219694_200025704644 [1,1,0,0,0,0|2,0,0]=4 929 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 1626a_100161151251_100015343762 [0,1,0,0,0,1|2,0,0]=4 930 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 240690a_100161151251_100015343762 [0,1,0,0,0,1|2,0,0]=4 931 B11R0.35 CC(=O)N[C@H](CCO)CC(C)C 527a_100161151251_100103153847 [0,1,0,0,0,1|2,0,0]=4 932 B11R0.35 CC(C)CN(CCO)CC(=O)O 269956a_100000747938_100000210760 [0,1,0,0,0,1|2,0,0]=4 933 B11R0.35 CC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218427 [0,1,0,0,0,1|2,0,0]=4 934 B11R0.35 C[C@@H](O)CN(CCO)CC(=O)O 269956a_100000747938_100009817552 [0,1,0,0,0,1|2,0,0]=4 935 B11R0.39 CCC(C)N(CCO)CC(=O)O 269956a_100000747938_100000758301 [0,1,0,0,0,1|2,0,0]=4 936 B11R0.39 CCCN(CC(=O)N)C(C)CC 2230a_200011216551_100000747473 [0,1,0,0,0,1|2,0,0]=4 937 B11R0.39 CCCN(CC(=O)N)C(C)CC 269982a_200011216551_100000187820 [0,1,0,0,0,1|2,0,0]=4 938 B11R0.39 CCCN(CC(=O)[O-])C(C)CC 269982a_200011216551_100020667443 [0,1,0,0,0,1|1,0,1]=4 939 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,1,0,0,0,1|1,0,1]=4 940 B11R0.39 CCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210202 [0,1,0,0,0,1|1,0,0]=3 941 B11R0.39 CC[C@H](C)[C@@H](CC(=O)O)NCF 269956a_100020625877_100015361967 [0,1,0,0,0,1|2,0,0]=4 942 B11R0.47 CCCCN(CCC)CC(=O)N 2230a_200000207744_100000747473 [0,1,0,0,0,1|2,0,0]=4 943 B11R0.47 CCCCN(CCC)CC(=O)N 269982a_200000207744_100000187820 [0,1,0,0,0,1|2,0,0]=4 944 B11R0.47 CCCCN(CCC)CC(=O)[O-] 269982a_200000207744_100020667443 [0,1,0,0,0,1|1,0,1]=4 945 B11R0.47 CCCCN(CCO)CC(=O)O 269956a_100000747938_100000210211 [0,1,0,0,0,1|2,0,0]=4 946 B11R0.47 CCCN(CCC#N)CC(=O)O 269956a_100011218032_100000210207 [0,1,0,0,0,1|1,0,1]=4 947 B11R0.47 CCCN(CCOC)CC(=O)N 2230a_200011192371_100000747473 [0,1,0,0,0,1|2,0,0]=4 948 B11R0.47 CCCN(CCOC)CC(=O)N 269982a_200011192371_100000187820 [0,1,0,0,0,1|2,0,0]=4 949 B11R0.47 CCCN(CCOC)CC(=O)[O-] 269982a_200011192371_100020667443 [0,1,0,0,0,1|1,0,1]=4 950 B11R0.47 CCOCN(CCO)CC(=O)O 269956a_100000747938_100000739092 [0,1,0,0,0,1|2,0,0]=4 951 B11R0.47 COCCN(CCO)CC(=O)O 269956a_100000747938_100000233755 [0,1,0,0,0,1|2,0,0]=4 952 B11R0.47 CSCCN(CCO)CC(=O)O 269956a_100000747938_100000212216 [0,1,0,0,0,1|2,0,0]=4 953 B11R0.47 O=C(O)CN(CCO)CCCF 269956a_100000747938_100011934791 [0,1,0,0,0,1|2,0,0]=4 954 B11R0.47 O=C(O)CN(CCO)CCCO 269956a_100000747938_100011215043 [0,1,0,0,0,1|2,0,0]=4 955 B11R0.95 CCCC(CCC)NS(=O)(=O)C 40a_100011207992_100000738038 [0,1,0,0,0,1|1,0,1]=4 956 B11R0.98 C=C(C)C(=O)C(CCC)CCC 1458a_100000185857_200011218217 [0,1,0,0,0,1|2,0,0]=4 957 B11R0.98 CCCC(CCC)C(=O)C(O)O 1458a_100000233687_200011218217 [0,1,0,0,0,1|0,0,2]=4 958 B11R0.98 CCCC(CCC)C(=O)[C@@H](C)O 1458a_100000717761_200011218217 [0,1,0,0,0,1|1,0,1]=4 959 B11R0.98 CCCC(CCC)C(=O)[C@H](C)O 1458a_217856618621_200011218217 [0,1,0,0,0,1|1,0,1]=4 960 B11R0.98 CCCN(CCC)C(=O)C(=O)N 240690a_100000210455_100011215815 [0,1,0,0,0,1|2,0,0]=4 961 B11R0.98 CCCN(CCC)C(C)C(=O)C 2230a_100000210455_100009814033 [0,1,0,0,0,1|2,0,0]=4 962 B11R0.98 CCCN(CCC)C(C)C(=O)C 269982a_100000210455_100009814033 [0,1,0,0,0,1|2,0,0]=4 963 B11R0.98 CCCN(CCC)C(C)C(=O)N 2230a_100000210455_100000702099 [0,1,0,0,0,1|2,0,0]=4 964 B11R0.98 CCCN(CCC)C(C)C(=O)N 269982a_100000210455_100000184083 [0,1,0,0,0,1|2,0,0]=4 965 B11R0.98 CCCN(CCC)C(F)C(=O)N 2230a_100000210455_100009813875 [0,1,0,0,0,1|2,0,0]=4 966 B11R0.98 CCCN(CCC)C(F)C(=O)N 269982a_100000210455_100009813875 [0,1,0,0,0,1|2,0,0]=4 967 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)C 1458a_200009815822_200000210301 [0,1,0,0,0,1|2,0,0]=4 968 B11R0.98 CCCN(CCC)[C@@H](C)C(=O)[13CH3] 1458a_200009815822_200025704644 [0,1,0,0,0,1|2,0,0]=4 969 B11R0.98 CCCN(CCO)C(C)C(=O)O 269956a_100011300695_100000210207 [0,1,0,0,0,1|2,0,0]=4 970 B11R0.98 CCC[C@@H](NCC)C(O)C(=O)N 2230a_200132311066_100000210202 [0,1,0,0,0,1|2,0,0]=4 971 B11R0.279 C=CC(=O)NC(CCC)CCC 1626a_100011207992_100000185746 [0,1,0,0,0,1|1,0,0]=3 972 B11R0.279 C=CC(=O)NC(CCC)CCC 240690a_100011207992_200121576911 [0,1,0,0,0,1|1,0,0]=3 973 B11R0.279 C=CC(=O)N[C@@H](CCC)CCO 240690a_100015193777_200121576911 [0,1,0,0,0,1|2,0,0]=4 974 B11R0.279 CCCC(CC(=O)OC)OCC 7a_100000065524_100000210202 [0,1,0,0,0,1|1,0,0]=3 975 B11R0.279 CCCC(CC(=O)OC)OCF 7a_100000065524_100015361967 [0,1,0,0,0,1|2,0,0]=4 976 B11R0.279 CCCC(CCC)NC(=O)CC 11a_100011207992_100000210414 [0,1,0,0,0,1|1,0,0]=3 977 B11R0.279 CCCC(CCC)NC(=O)CC 1626a_100011207992_100000210414 [0,1,0,0,0,1|1,0,0]=3 978 B11R0.279 CCCC(CCC)NC(=O)CC 240690a_100011207992_100000210414 [0,1,0,0,0,1|1,0,0]=3 979 B11R0.279 CCCC(CCC)NC(=O)CC 527a_100011207992_100000210414 [0,1,0,0,0,1|1,0,0]=3 980 B11R0.279 CCCC(CCC)NC(=O)CO 240690a_100011207992_100000210174 [0,1,0,0,0,1|0,0,0]=2 981 B11R0.279 CCCC(CCC)NC(=O)CO 527a_100011207992_100000210174 [0,1,0,0,0,1|0,0,0]=2 982 B11R0.279 CCCC(CCC)NC(=O)NC 2708a_100011207992_106832991635 [0,1,0,0,0,1|1,0,0]=3 983 B11R0.279 CCCC(CCC)NC(=O)NC 2708a_100102657272_100011207992 [0,1,0,0,0,1|1,0,0]=3 984 B11R0.279 CCCC(CCC)NC(=O)NC 273464a_100011207992_100102657272 [0,1,0,0,0,1|1,0,0]=3 985 B11R0.279 CCCC(CCC)NC(=O)NC 273464a_100102657272_100011207992 [0,1,0,0,0,1|1,0,0]=3 986 B11R0.279 CCCC(CCC)NC(=O)NC 512a_100011207992_100102657272 [0,1,0,0,0,1|1,0,0]=3 987 B11R0.279 CCCC(CCC)NC(=O)NC 512a_106832991638_100011207992 [0,1,0,0,0,1|1,0,0]=3 988 B11R0.279 CCCC(CCC)NC(C)CO 2230a_100011207992_100012180447 [0,1,0,0,0,1|1,0,1]=4 989 B11R0.279 CCCC(CCC)NC(C)CO 34a_100011207992_100012180447 [0,1,0,0,0,1|1,0,1]=4 990 B11R0.279 CCCC(CCC)N[C@H](C)CO 270004a_100000737577_100000210088 [0,1,0,0,0,1|1,0,1]=4 991 B11R0.279 CCCC(CCC)OC(C)CO 34a_200011218534_100012180447 [0,1,0,0,0,1|1,0,1]=4 992 B11R0.279 CCCC(CCC)OC(C)CO 7a_200011218534_100012180447 [0,1,0,0,0,1|1,0,1]=4 993 B11R0.279 CCCC(CCC)SC(C)CO 62a_100012180447_200011218217 [0,1,0,0,0,1|1,0,1]=4 994 B11R0.279 CCCC(CCC)SC(C)OC 62a_100009879195_200011218217 [0,1,0,0,0,1|1,0,1]=4 995 B11R0.279 CCCC(CCC)SC(C)OC 62a_200011218217_100009879195 [0,1,0,0,0,1|1,0,1]=4 996 B11R0.279 CCCC(CCC)S[C@H](C)CO 62a_100016084084_200011218217 [0,1,0,0,0,1|1,0,1]=4 997 B11R0.279 CCCC(CCC)S[C@H](C)CO 62a_200011218217_100016084084 [0,1,0,0,0,1|1,0,1]=4 998 B11R0.279 CCCN(CCC)CC(=O)CC 1458a_200011243382_100000210202 [0,1,0,0,0,1|2,0,0]=4 999 B11R0.279 CCCN(CCC)CC(=O)CC 269982a_100000210455_100000747405 [0,1,0,0,0,1|2,0,0]=4 1000 B11R0.279 CCCN(CCC)CC(=O)CF 1458a_200011243382_100015361967 [0,1,0,0,0,1|2,0,0]=4 1001 B11R0.279 CCCN(CCC)CC(=O)NC 11a_106832991635_200011243382 [0,1,0,0,0,1|2,0,0]=4 1002 B11R0.279 CCCN(CCC)CC(=O)NC 1626a_100102657272_200011243382 [0,1,0,0,0,1|2,0,0]=4 1003 B11R0.279 CCCN(CCC)CC(=O)NC 2230a_100000210455_100000183359 [0,1,0,0,0,1|2,0,0]=4 1004 B11R0.279 CCCN(CCC)CC(=O)NC 240690a_100102657272_200011243382 [0,1,0,0,0,1|2,0,0]=4 1005 B11R0.279 CCCN(CCC)CC(=O)NC 269982a_100000210455_100000183359 [0,1,0,0,0,1|2,0,0]=4 1006 B11R0.279 CCCN(CCC)CC(=O)NC 527a_100102657272_200011243382 [0,1,0,0,0,1|2,0,0]=4 1007 B11R0.279 CCCN(CCC)CC(=O)OC 2230a_100000210455_100000747449 [0,1,0,0,0,1|1,0,0]=3 1008 B11R0.279 CCCN(CCC)CC(=O)OC 269982a_100000210455_100000747449 [0,1,0,0,0,1|1,0,0]=3 1009 B11R0.279 CCCN(CCO)CC(=O)OC 2230a_100000211420_100000747449 [0,1,0,0,0,1|2,0,0]=4 1010 B11R0.279 CCCN(CCO)CC(=O)OC 269982a_100000211420_100000747449 [0,1,0,0,0,1|2,0,0]=4 1011 B11R0.279 CCC[C@@H](CCO)NC(=O)CC 240690a_100015193777_100000210414 [0,1,0,0,0,1|2,0,0]=4 1012 B11R0.279 CCC[C@@H](CCO)NC(=O)CC 527a_100015193777_100000210414 [0,1,0,0,0,1|2,0,0]=4 1013 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 240690a_100015193777_100000210174 [0,1,0,0,0,1|1,0,0]=3 1014 B11R0.279 CCC[C@@H](CCO)NC(=O)CO 527a_100015193777_100000210174 [0,1,0,0,0,1|1,0,0]=3 1015 B11R0.279 CCC[C@@H](CCO)NC(=O)NC 2708a_100102657272_100015193777 [0,1,0,0,0,1|2,0,0]=4 1016 B11R0.279 CCC[C@@H](CCO)NC(=O)NC 273464a_100015193777_100102657272 [0,1,0,0,0,1|2,0,0]=4 1017 B11R0.279 CCC[C@@H](CCO)NC(=O)NC 273464a_100102657272_100015193777 [0,1,0,0,0,1|2,0,0]=4 1018 B11R0.279 CCC[C@@H](CCO)NC(=O)NC 512a_100015193777_100102657272 [0,1,0,0,0,1|2,0,0]=4 1019 B11R0.279 CCC[C@@H](CCO)NC(=O)NC 512a_106832991638_100015193777 [0,1,0,0,0,1|2,0,0]=4 1020 B11R0.279 CCOC(CC(=O)CO)OCC 1458a_100000210174_100000210512 [0,1,0,0,0,1|2,0,0]=4 1021 B11R0.279 COCC(COC)NC(=O)CO 240690a_100011997029_100000210174 [0,1,0,0,0,1|2,0,0]=4 1022 B11R0.279 COCC(COC)NC(=O)CO 527a_100011997029_100000210174 [0,1,0,0,0,1|2,0,0]=4 1023 B11R0.16 CC(C)(C)CC(NCF)C(=O)O 269956a_100000691758_100015361967 [0,2,0,0,0,0|2,0,0]=4 1024 B11R0.16 CC(C)(F)C[C@H](NCF)C(=O)O 269956a_100016039316_100015361967 [0,2,0,0,0,0|2,0,0]=4 1025 B11R0.16 CCCC(CC(F)(F)F)C(=O)C 1458a_100000070787_200010064508 [0,2,0,0,0,0|2,0,0]=4 1026 B11R0.16 CCCC(OC(C)(C)C)C(=O)N 34a_100011626294_100000210625 [0,2,0,0,0,0|2,0,0]=4 1027 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 11a_107254831479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1028 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 1626a_107254831479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1029 B11R0.16 CCCN(CC(C)(C)C)C(=O)C 240690a_107254831479_100015343762 [0,2,0,0,0,0|2,0,0]=4 1030 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)N 34a_100000729256_100000210625 [0,2,0,0,0,0|2,0,0]=4 1031 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [0,2,0,0,0,0|1,0,0]=3 1032 B11R0.16 CCC[C@H](NC(F)(F)F)C(=O)O 269956a_100000750406_200000243211 [0,2,0,0,0,0|2,0,0]=4 1033 B11R0.16 CCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210202 [0,2,0,0,0,0|1,0,0]=3 1034 B11R0.16 CCNC(CC(F)(F)F)C(=O)O 269956a_100000685204_100000210202 [0,2,0,0,0,0|2,0,0]=4 1035 B11R0.16 CCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210202 [0,2,0,0,0,0|1,0,0]=3 1036 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 1037 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 1038 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 1039 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 11a_100000201412_100015343762 [0,2,0,0,0,0|2,0,0]=4 1040 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 1626a_100000201412_100015343762 [0,2,0,0,0,0|2,0,0]=4 1041 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 240690a_100000201412_100015343762 [0,2,0,0,0,0|2,0,0]=4 1042 B11R0.32 CC(=O)N(CC(C)C)CC(C)C 527a_100000201412_100103153847 [0,2,0,0,0,0|2,0,0]=4 1043 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 240690a_100011218400_100015343762 [0,2,0,0,0,0|2,0,0]=4 1044 B11R0.32 CC(=O)N(CC(C)O)CC(C)O 527a_100011218400_100103153847 [0,2,0,0,0,0|2,0,0]=4 1045 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 2230a_100016989234_100000210206 [0,2,0,0,0,0|2,0,0]=4 1046 B11R0.32 CC(C)C[C@H](NC(C)C)C(=O)N 34a_100016989234_100000210206 [0,2,0,0,0,0|2,0,0]=4 1047 B11R0.32 CC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210206 [0,2,0,0,0,0|2,0,0]=4 1048 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 11a_200015185082_100015343762 [0,2,0,0,0,0|2,0,0]=4 1049 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 1626a_200015185082_100015343762 [0,2,0,0,0,0|2,0,0]=4 1050 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 240690a_200015185082_100015343762 [0,2,0,0,0,0|2,0,0]=4 1051 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 527a_200015185082_100103153847 [0,2,0,0,0,0|2,0,0]=4 1052 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,2,0,0,0,0|1,0,0]=3 1053 B11R0.115 CC[C@H](C)[C@H](NC(C)C)C(=O)N 2230a_100000758034_100000210206 [0,2,0,0,0,0|2,0,0]=4 1054 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 1055 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 2230a_100016989234_100011217306 [0,2,0,0,0,0|2,0,0]=4 1056 B11R0.160 CC(C)C[C@H](NCCF)C(=O)N 34a_100016989234_100011217306 [0,2,0,0,0,0|2,0,0]=4 1057 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 2230a_100016989234_100000211926 [0,2,0,0,0,0|2,0,0]=4 1058 B11R0.160 CC(C)C[C@H](NCCO)C(=O)N 34a_100016989234_100000211926 [0,2,0,0,0,0|2,0,0]=4 1059 B11R0.160 CCCCC(NC(C)C)C(=O)N 2230a_100138425928_100000748834 [0,2,0,0,0,0|2,0,0]=4 1060 B11R0.160 CCCCC(NC(C)C)C(=O)N 34a_100138425928_100000748834 [0,2,0,0,0,0|2,0,0]=4 1061 B11R0.160 CCCCC(OC(C)C)C(=O)N 34a_100000212225_100000748834 [0,2,0,0,0,0|2,0,0]=4 1062 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000210206_100000748834 [0,2,0,0,0,0|2,0,0]=4 1063 B11R0.160 CCCCC(SC(C)C)C(=O)N 62a_100000748834_100000210206 [0,2,0,0,0,0|2,0,0]=4 1064 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 2230a_100000124899_100000210206 [0,2,0,0,0,0|2,0,0]=4 1065 B11R0.160 CCCC[C@H](NC(C)C)C(=O)N 34a_100000124899_100000210206 [0,2,0,0,0,0|2,0,0]=4 1066 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210303 [0,2,0,0,0,0|1,0,0]=3 1067 B11R0.160 CCCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210303 [0,2,0,0,0,0|1,0,0]=3 1068 B11R0.160 CCCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210207 [0,2,0,0,0,0|1,0,0]=3 1069 B11R0.160 COCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000766300 [0,2,0,0,0,0|2,0,0]=4 1070 B11R0.160 COCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000766300 [0,2,0,0,0,0|2,0,0]=4 1071 B11R0.160 CS(=O)C[C@H](NCCF)C(=O)O 269956a_100009817418_100011217306 [0,2,0,0,0,0|2,0,0]=4 1072 B11R0.160 CS(=O)C[C@H](NCCO)C(=O)O 269956a_100009817418_100000211926 [0,2,0,0,0,0|2,0,0]=4 1073 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 2230a_100000119342_100000210206 [0,2,0,0,0,0|2,0,0]=4 1074 B11R0.160 CSCC[C@H](NC(C)C)C(=O)N 34a_100000119342_100000210206 [0,2,0,0,0,0|2,0,0]=4 1075 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,2,0,0,0,0|1,0,0]=3 1076 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100011218213 [0,2,0,0,0,0|2,0,0]=4 1077 B11R0.160 CSCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011218213 [0,2,0,0,0,0|2,0,0]=4 1078 B11R0.160 CSCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100011218213 [0,2,0,0,0,0|2,0,0]=4 1079 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,2,0,0,0,0|1,0,0]=3 1080 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)N 34a_100000729256_200000035995 [0,2,0,0,0,0|2,0,0]=4 1081 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,2,0,0,0,0|1,0,0]=3 1082 B11R0.236 C#CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_200000035995 [0,2,0,0,0,0|2,0,0]=4 1083 B11R0.236 C#CC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000035995 [0,2,0,0,0,0|2,0,0]=4 1084 B11R0.236 C#CC(C)N[C@H](COC)C(=O)O 269956a_100011998655_200000035995 [0,2,0,0,0,0|2,0,0]=4 1085 B11R0.236 C#CC(C)OC(CCC)C(=O)N 34a_100011626294_200000035995 [0,2,0,0,0,0|2,0,0]=4 1086 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,2,0,0,0,0|1,0,0]=3 1087 B11R0.236 C=CC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100011215867 [0,2,0,0,0,0|2,0,0]=4 1088 B11R0.236 C=CC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011215867 [0,2,0,0,0,0|2,0,0]=4 1089 B11R0.236 C=CC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100011215867 [0,2,0,0,0,0|2,0,0]=4 1090 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,2,0,0,0,0|1,0,0]=3 1091 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,2,0,0,0,0|1,0,0]=3 1092 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,2,0,0,0,0|1,0,0]=3 1093 B11R0.236 CCCC(OC(C)C#N)C(=O)N 7a_100011626294_100000703298 [0,2,0,0,0,0|2,0,0]=4 1094 B11R0.236 CCCC(OC(C)CC)C(=O)N 34a_100011626294_100011215416 [0,2,0,0,0,0|1,0,0]=3 1095 B11R0.236 CCCC(OC(C)CC)C(=O)N 7a_100011626294_100000758301 [0,2,0,0,0,0|1,0,0]=3 1096 B11R0.236 CCCC(OC(C)CO)C(=O)N 34a_100011626294_100012180447 [0,2,0,0,0,0|2,0,0]=4 1097 B11R0.236 CCCC(OC(C)CO)C(=O)N 7a_100011626294_100012180447 [0,2,0,0,0,0|2,0,0]=4 1098 B11R0.236 CCCN(CC(O)CO)C(=O)C 240690a_200000156893_100015343762 [0,2,0,0,0,0|2,0,0]=4 1099 B11R0.236 CCCN(CC(O)CO)C(=O)C 527a_200000156893_100103153847 [0,2,0,0,0,0|2,0,0]=4 1100 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 1101 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 1102 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 1103 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 1104 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)N 2230a_100000729256_100000184139 [0,2,0,0,0,0|2,0,0]=4 1105 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,2,0,0,0,0|1,0,0]=3 1106 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 2230a_100000729256_100000758301 [0,2,0,0,0,0|1,0,0]=3 1107 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 34a_100000729256_100011215416 [0,2,0,0,0,0|1,0,0]=3 1108 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,2,0,0,0,0|0,0,0]=2 1109 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 2230a_100000729256_100012180447 [0,2,0,0,0,0|2,0,0]=4 1110 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 34a_100000729256_100012180447 [0,2,0,0,0,0|2,0,0]=4 1111 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,2,0,0,0,0|1,0,0]=3 1112 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,2,0,0,0,0|1,0,0]=3 1113 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [0,2,0,0,0,0|2,0,0]=4 1114 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 1115 B11R0.236 COC[C@@H](NC(C)C#N)C(=O)O 269956a_100011998655_100000184139 [0,2,0,0,0,0|2,0,0]=4 1116 B11R0.236 COC[C@@H](NC(C)OC)C(=O)O 269956a_100011998655_100009879195 [0,2,0,0,0,0|2,0,0]=4 1117 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 1118 B11R0.236 CSC[C@H](NC(C)C#N)C(=O)O 269956a_100011421858_100000184139 [0,2,0,0,0,0|2,0,0]=4 1119 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 1120 B11R0.236 C[Se]C[C@H](NC(C)C#N)C(=O)O 269956a_100015254316_100000184139 [0,2,0,0,0,0|2,0,0]=4 1121 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 1122 B11R0.41 C=CC(=O)N(CCC)C(C)CC 1626a_200011216551_100000185746 [0,2,0,0,0,0|2,0,0]=4 1123 B11R0.41 C=CC(=O)N(CCC)C(C)CC 240690a_200011216551_200121576911 [0,2,0,0,0,0|2,0,0]=4 1124 B11R0.41 CCC(=O)C(COC)C(=O)OC 1458a_100000210414_100000717350 [0,2,0,0,0,0|1,0,1]=4 1125 B11R0.41 CCCC(C(=O)CC)C(=O)OC 1458a_100000210414_200009843822 [0,2,0,0,0,0|0,0,1]=3 1126 B11R0.41 CCCC(C(=O)CO)C(=O)OC 1458a_100000210174_200009843822 [0,2,0,0,0,0|1,0,1]=4 1127 B11R0.41 CCCC(C(=O)OC)N(C)CC 2230a_100000225621_200009843822 [0,2,0,0,0,0|1,0,0]=3 1128 B11R0.41 CCCC(C(=O)OC)N(C)CC 269982a_100000225621_200009843822 [0,2,0,0,0,0|1,0,0]=3 1129 B11R0.41 CCCN(C(=O)CC)C(C)CC 11a_200011216551_100000210414 [0,2,0,0,0,0|2,0,0]=4 1130 B11R0.41 CCCN(C(=O)CC)C(C)CC 1626a_200011216551_100000210414 [0,2,0,0,0,0|2,0,0]=4 1131 B11R0.41 CCCN(C(=O)CC)C(C)CC 240690a_200011216551_100000210414 [0,2,0,0,0,0|2,0,0]=4 1132 B11R0.41 CCCN(C(=O)CC)C(C)CC 527a_200011216551_100000210414 [0,2,0,0,0,0|2,0,0]=4 1133 B11R0.41 CCCN(C(=O)CO)C(C)CC 240690a_200011216551_100000210174 [0,2,0,0,0,0|1,0,0]=3 1134 B11R0.41 CCCN(C(=O)CO)C(C)CC 527a_200011216551_100000210174 [0,2,0,0,0,0|1,0,0]=3 1135 B11R0.41 CCCN(C(=O)CO)C(C)CO 240690a_100011303929_100000210174 [0,2,0,0,0,0|2,0,0]=4 1136 B11R0.41 CCCN(C(=O)NC)C(C)CC 2708a_100102657272_200011216551 [0,2,0,0,0,0|2,0,0]=4 1137 B11R0.41 CCCN(C(=O)NC)C(C)CC 273464a_100102657272_200011216551 [0,2,0,0,0,0|2,0,0]=4 1138 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210202 [0,2,0,0,0,0|1,0,1]=4 1139 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000210202_100000056495 [0,2,0,0,0,0|1,0,1]=4 1140 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|1,0,1]=4 1141 B11R0.57 CCC[C@@H](N)C(OCC)C(=O)N 34a_200132311066_100000210202 [0,2,0,0,0,0|2,0,0]=4 1142 B11R0.121 CCC(C)C(C(=O)O)N(C)CC 269956a_100000694001_100000210202 [0,2,0,0,0,0|1,0,0]=3 1143 B11R0.121 CCC(C)C(C(=O)O)N(C)CF 269956a_100000694001_100015361967 [0,2,0,0,0,0|2,0,0]=4 1144 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 11a_100000210998_100015343762 [0,2,0,0,0,0|2,0,0]=4 1145 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 1626a_100000210998_100015343762 [0,2,0,0,0,0|2,0,0]=4 1146 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 240690a_100000210998_100015343762 [0,2,0,0,0,0|2,0,0]=4 1147 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 527a_100000210998_100103153847 [0,2,0,0,0,0|2,0,0]=4 1148 B11R0.138 CCCN(C(=O)C)C(CC)CC 11a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1149 B11R0.138 CCCN(C(=O)C)C(CC)CC 1626a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1150 B11R0.138 CCCN(C(=O)C)C(CC)CC 240690a_100015185089_100015343762 [0,2,0,0,0,0|2,0,0]=4 1151 B11R0.138 CCCN(C(=O)C)C(CC)CC 527a_100015185089_100103153847 [0,2,0,0,0,0|2,0,0]=4 1152 B11R0.167 C#CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000184674 [0,2,0,0,0,0|0,0,2]=4 1153 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [0,2,0,0,0,0|0,0,2]=4 1154 B11R0.167 CCC(C)N(CCOC)C(=O)C 11a_200000740884_100015343762 [0,2,0,0,0,0|2,0,0]=4 1155 B11R0.167 CCC(C)N(CCOC)C(=O)C 1626a_200000740884_100015343762 [0,2,0,0,0,0|2,0,0]=4 1156 B11R0.167 CCC(C)N(CCOC)C(=O)C 240690a_200000740884_100015343762 [0,2,0,0,0,0|2,0,0]=4 1157 B11R0.167 CCC(C)N(CCOC)C(=O)C 527a_200000740884_100103153847 [0,2,0,0,0,0|2,0,0]=4 1158 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,2,0,0,0,0|1,0,1]=4 1159 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [0,2,0,0,0,0|2,0,0]=4 1160 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [0,2,0,0,0,0|2,0,0]=4 1161 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1162 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1163 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [0,2,0,0,0,0|2,0,0]=4 1164 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [0,2,0,0,0,0|2,0,0]=4 1165 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,2,0,0,0,0|0,0,0]=2 1166 B11R0.167 CCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210303 [0,2,0,0,0,0|1,0,0]=3 1167 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,2,0,0,0,0|1,0,0]=3 1168 B11R0.167 CC[C@H](C)[C@@H](NCC#N)C(=O)O 269956a_100009815163_100011215382 [0,2,0,0,0,0|1,0,1]=4 1169 B11R0.167 CC[C@H](C)[C@@H](NCC=O)C(=O)O 269956a_100009815163_200015260668 [0,2,0,0,0,0|1,0,1]=4 1170 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,2,0,0,0,0|1,0,0]=3 1171 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,2,0,0,0,0|1,0,0]=3 1172 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,2,0,0,0,0|1,0,0]=3 1173 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,2,0,0,0,0|1,0,0]=3 1174 B11R0.167 CC[C@H](C)[C@H](NCCF)C(=O)N 2230a_100000758034_100011217306 [0,2,0,0,0,0|2,0,0]=4 1175 B11R0.167 CC[C@H](C)[C@H](NCCO)C(=O)N 2230a_100000758034_100000211926 [0,2,0,0,0,0|2,0,0]=4 1176 B11R0.167 CC[C@H](C)[C@H](NCOC)C(=O)N 2230a_100000758034_100000766300 [0,2,0,0,0,0|2,0,0]=4 1177 B11R0.167 CC[C@H](C)[C@H](NCSC)C(=O)N 2230a_100000758034_100011218213 [0,2,0,0,0,0|2,0,0]=4 1178 B11R0.167 COCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000766300 [0,2,0,0,0,0|2,0,0]=4 1179 B11R0.167 CO[C@H](C)[C@H](NCCF)C(=O)O 269956a_100015335849_100011217306 [0,2,0,0,0,0|2,0,0]=4 1180 B11R0.167 CO[C@H](C)[C@H](NCCO)C(=O)O 269956a_100015335849_100000211926 [0,2,0,0,0,0|2,0,0]=4 1181 B11R0.167 CO[C@H](C)[C@H](NCSC)C(=O)O 269956a_100015335849_100011218213 [0,2,0,0,0,0|2,0,0]=4 1182 B11R0.38 C#CC(=O)C(CCC)CCCC 1458a_100000211873_100000211913 [0,2,0,0,0,0|1,0,0]=3 1183 B11R0.38 C#CCNC(CCC)C(=O)OC 34a_100000212058_200009843822 [0,2,0,0,0,0|0,0,2]=4 1184 B11R0.38 C#CCOC(CCC)C(=O)OC 34a_100000210247_200009843822 [0,2,0,0,0,0|0,0,2]=4 1185 B11R0.38 C#CCSC(CCC)C(=O)OC 62a_100000038162_200009843822 [0,2,0,0,0,0|0,0,2]=4 1186 B11R0.38 C=CC(=O)C(CCC)CCCC 1458a_100000185746_100000211913 [0,2,0,0,0,0|1,0,0]=3 1187 B11R0.38 C=CC(=O)N(CCC)CCCC 1626a_200000207744_100000185746 [0,2,0,0,0,0|2,0,0]=4 1188 B11R0.38 C=CC(=O)N(CCC)CCCC 240690a_200000207744_200121576911 [0,2,0,0,0,0|2,0,0]=4 1189 B11R0.38 C=CC(=O)N(CCC)CCOC 1626a_200011192371_100000185746 [0,2,0,0,0,0|2,0,0]=4 1190 B11R0.38 C=CC(=O)N(CCC)CCOC 240690a_200011192371_200121576911 [0,2,0,0,0,0|2,0,0]=4 1191 B11R0.38 C=CCNC(CCC)C(=O)OC 2230a_100020586998_200009843822 [0,2,0,0,0,0|0,0,2]=4 1192 B11R0.38 C=CCOC(CCC)C(=O)OC 34a_200000210373_200009843822 [0,2,0,0,0,0|0,0,2]=4 1193 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_100000210623_200009843822 [0,2,0,0,0,0|0,0,2]=4 1194 B11R0.38 C=CCSC(CCC)C(=O)OC 62a_200009843822_100000210623 [0,2,0,0,0,0|0,0,2]=4 1195 B11R0.38 CCCC(=NNCC)C(=O)OC 4a_100000756455_200000070466 [0,2,0,0,0,0|1,0,1]=4 1196 B11R0.38 CCCC(NCCF)C(=O)NC 2230a_106256046333_100011217306 [0,2,0,0,0,0|2,0,0]=4 1197 B11R0.38 CCCC(NCCF)C(=O)NC 34a_106256046333_100011217306 [0,2,0,0,0,0|2,0,0]=4 1198 B11R0.38 CCCC(NCCF)C(=O)OC 34a_100000724931_200009843822 [0,2,0,0,0,0|1,0,0]=3 1199 B11R0.38 CCCC(NCCO)C(=O)NC 2230a_106256046333_100000211926 [0,2,0,0,0,0|2,0,0]=4 1200 B11R0.38 CCCC(NCCO)C(=O)NC 34a_106256046333_100000211926 [0,2,0,0,0,0|2,0,0]=4 1201 B11R0.38 CCCC(NCCO)C(=O)OC 2230a_100016997473_200009843822 [0,2,0,0,0,0|1,0,0]=3 1202 B11R0.38 CCCC(NCCO)C(=O)OC 34a_100016990907_200009843822 [0,2,0,0,0,0|1,0,0]=3 1203 B11R0.38 CCCC(NCOC)C(=O)NC 2230a_106256046333_100000766300 [0,2,0,0,0,0|2,0,0]=4 1204 B11R0.38 CCCC(NCSC)C(=O)NC 2230a_106256046333_100011218213 [0,2,0,0,0,0|2,0,0]=4 1205 B11R0.38 CCCC(NCSC)C(=O)NC 34a_106256046333_100011218213 [0,2,0,0,0,0|2,0,0]=4 1206 B11R0.38 CCCC(OCCBr)C(=O)OC 34a_100000211926_200009843822 [0,2,0,0,0,0|1,0,0]=3 1207 B11R0.38 CCCC(OCCN)C(=O)OC 34a_100000210304_200009843822 [0,2,0,0,0,0|1,0,0]=3 1208 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_100011215382_200009843822 [0,2,0,0,0,0|1,0,1]=4 1209 B11R0.38 CCCC(SCC#N)C(=O)OC 62a_200009843822_100011215382 [0,2,0,0,0,0|1,0,1]=4 1210 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200009843822_200015260668 [0,2,0,0,0,0|1,0,1]=4 1211 B11R0.38 CCCC(SCC=O)C(=O)OC 62a_200015260668_200009843822 [0,2,0,0,0,0|1,0,1]=4 1212 B11R0.38 CCCC(SCCF)C(=O)OC 62a_100011217306_200009843822 [0,2,0,0,0,0|1,0,0]=3 1213 B11R0.38 CCCC(SCCF)C(=O)OC 62a_200009843822_100011217306 [0,2,0,0,0,0|1,0,0]=3 1214 B11R0.38 CCCC(SCCO)C(=O)OC 62a_100000211926_200009843822 [0,2,0,0,0,0|1,0,0]=3 1215 B11R0.38 CCCC(SCCO)C(=O)OC 62a_200009843822_100000211926 [0,2,0,0,0,0|1,0,0]=3 1216 B11R0.38 CCCC(SCOC)C(=O)OC 62a_100000766300_200009843822 [0,2,0,0,0,0|1,0,0]=3 1217 B11R0.38 CCCC(SCOC)C(=O)OC 62a_200009843822_100000766300 [0,2,0,0,0,0|1,0,0]=3 1218 B11R0.38 CCCC(SCSC)C(=O)OC 62a_100011218213_200009843822 [0,2,0,0,0,0|1,0,0]=3 1219 B11R0.38 CCCC(SCSC)C(=O)OC 62a_200009843822_100011218213 [0,2,0,0,0,0|1,0,0]=3 1220 B11R0.38 CCCCC(CCC)C(=O)CC 1458a_100000210414_100000211913 [0,2,0,0,0,0|1,0,0]=3 1221 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,2,0,0,0,0|0,0,0]=2 1222 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,2,0,0,0,0|1,0,0]=3 1223 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [0,2,0,0,0,0|1,0,0]=3 1224 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [0,2,0,0,0,0|1,0,0]=3 1225 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [0,2,0,0,0,0|1,0,0]=3 1226 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100000750740_100015361967 [0,2,0,0,0,0|2,0,0]=4 1227 B11R0.38 CCCCC(SCF)C(=O)OC 62a_100015361967_100000750740 [0,2,0,0,0,0|2,0,0]=4 1228 B11R0.38 CCCCN(CCC)C(=O)CC 11a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 1229 B11R0.38 CCCCN(CCC)C(=O)CC 1626a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 1230 B11R0.38 CCCCN(CCC)C(=O)CC 240690a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 1231 B11R0.38 CCCCN(CCC)C(=O)CC 527a_200000207744_100000210414 [0,2,0,0,0,0|2,0,0]=4 1232 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [0,2,0,0,0,0|1,0,0]=3 1233 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [0,2,0,0,0,0|1,0,0]=3 1234 B11R0.38 CCCCN(CCC)C(=O)NC 2708a_100102657272_200000207744 [0,2,0,0,0,0|2,0,0]=4 1235 B11R0.38 CCCCN(CCC)C(=O)NC 273464a_100102657272_200000207744 [0,2,0,0,0,0|2,0,0]=4 1236 B11R0.38 CCCCN(CCO)C(=O)CO 240690a_100000198060_100000210174 [0,2,0,0,0,0|2,0,0]=4 1237 B11R0.38 CCCN(CCC#N)C(=O)CO 240690a_100000176855_100000210174 [0,2,0,0,0,0|1,0,1]=4 1238 B11R0.38 CCCN(CCOC)C(=O)CC 11a_200011192371_100000210414 [0,2,0,0,0,0|2,0,0]=4 1239 B11R0.38 CCCN(CCOC)C(=O)CC 1626a_200011192371_100000210414 [0,2,0,0,0,0|2,0,0]=4 1240 B11R0.38 CCCN(CCOC)C(=O)CC 240690a_200011192371_100000210414 [0,2,0,0,0,0|2,0,0]=4 1241 B11R0.38 CCCN(CCOC)C(=O)CC 527a_200011192371_100000210414 [0,2,0,0,0,0|2,0,0]=4 1242 B11R0.38 CCCN(CCOC)C(=O)CO 240690a_200011192371_100000210174 [0,2,0,0,0,0|1,0,0]=3 1243 B11R0.38 CCCN(CCOC)C(=O)CO 527a_200011192371_100000210174 [0,2,0,0,0,0|1,0,0]=3 1244 B11R0.38 CCCN(CCOC)C(=O)NC 2708a_100102657272_200011192371 [0,2,0,0,0,0|2,0,0]=4 1245 B11R0.38 CCCN(CCOC)C(=O)NC 273464a_100102657272_200011192371 [0,2,0,0,0,0|2,0,0]=4 1246 B11R0.38 CCCNC(CCC)C(=O)NC 2230a_106256046333_100000210303 [0,2,0,0,0,0|1,0,0]=3 1247 B11R0.38 CCCNC(CCC)C(=O)NC 34a_106256046333_100000210303 [0,2,0,0,0,0|1,0,0]=3 1248 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [0,2,0,0,0,0|0,0,0]=2 1249 B11R0.38 CCCOC(COC)C(=O)OC 34a_100000210258_100000717350 [0,2,0,0,0,0|1,0,0]=3 1250 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [0,2,0,0,0,0|0,0,0]=2 1251 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [0,2,0,0,0,0|0,0,0]=2 1252 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000210303_100000717350 [0,2,0,0,0,0|1,0,0]=3 1253 B11R0.38 CCCSC(COC)C(=O)OC 62a_100000717350_100000210303 [0,2,0,0,0,0|1,0,0]=3 1254 B11R0.38 COCC(NCCF)C(=O)OC 34a_100000724931_100000717350 [0,2,0,0,0,0|2,0,0]=4 1255 B11R0.38 COCC(NCCO)C(=O)OC 34a_100016990907_100000717350 [0,2,0,0,0,0|2,0,0]=4 1256 B11R0.38 COCC(OCCBr)C(=O)OC 34a_100000211926_100000717350 [0,2,0,0,0,0|2,0,0]=4 1257 B11R0.38 COCC(OCCN)C(=O)OC 34a_100000210304_100000717350 [0,2,0,0,0,0|2,0,0]=4 1258 B11R0.38 COCC(SCCF)C(=O)OC 62a_100000717350_100011217306 [0,2,0,0,0,0|2,0,0]=4 1259 B11R0.38 COCC(SCCF)C(=O)OC 62a_100011217306_100000717350 [0,2,0,0,0,0|2,0,0]=4 1260 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000211926_100000717350 [0,2,0,0,0,0|2,0,0]=4 1261 B11R0.38 COCC(SCCO)C(=O)OC 62a_100000717350_100000211926 [0,2,0,0,0,0|2,0,0]=4 1262 B11R0.38 COCC(SCSC)C(=O)OC 62a_100000717350_100011218213 [0,2,0,0,0,0|2,0,0]=4 1263 B11R0.38 COCC(SCSC)C(=O)OC 62a_100011218213_100000717350 [0,2,0,0,0,0|2,0,0]=4 1264 B11R0.38 COCSC(COC)C(=O)OC 62a_100000717350_100000766300 [0,2,0,0,0,0|2,0,0]=4 1265 B11R0.38 COCSC(COC)C(=O)OC 62a_100000766300_100000717350 [0,2,0,0,0,0|2,0,0]=4 1266 B11R0.38 O=C(CO)N(CCO)CCCO 240690a_200000212863_100000210174 [0,2,0,0,0,0|2,0,0]=4 1267 B11R0.61 C#CCC(=O)C(CCC)CCC 1458a_100011215354_100000184674 [0,2,0,0,0,0|1,0,0]=3 1268 B11R0.61 C#CCC(=O)C(CCC)CCC 1458a_100011220946_200011218217 [0,2,0,0,0,0|1,0,0]=3 1269 B11R0.61 C#CCC(=O)N(CCC)CCC 1626a_100000210455_100011220946 [0,2,0,0,0,0|2,0,0]=4 1270 B11R0.61 C#CCC(=O)N(CCC)CCC 527a_100000210455_100011220946 [0,2,0,0,0,0|2,0,0]=4 1271 B11R0.61 C=CCC(=O)C(CCC)CCC 1458a_100000210193_200011218217 [0,2,0,0,0,0|1,0,0]=3 1272 B11R0.61 C=CCC(=O)C(CCC)CCC 1458a_100011215354_100000210623 [0,2,0,0,0,0|1,0,0]=3 1273 B11R0.61 C=CCC(=O)N(CCC)CCC 11a_100000210455_100000210193 [0,2,0,0,0,0|2,0,0]=4 1274 B11R0.61 C=CCC(=O)N(CCC)CCC 1626a_100000210455_100000210193 [0,2,0,0,0,0|2,0,0]=4 1275 B11R0.61 C=CCC(=O)N(CCC)CCC 240690a_100000210455_100000210193 [0,2,0,0,0,0|2,0,0]=4 1276 B11R0.61 C=CCC(=O)N(CCC)CCC 527a_100000210455_100000210193 [0,2,0,0,0,0|2,0,0]=4 1277 B11R0.61 CC#CC(=O)C(CCC)CCC 1458a_100000763181_200011218217 [0,2,0,0,0,0|1,0,0]=3 1278 B11R0.61 CC=CC(=O)C(CCC)CCC 1458a_100000210699_200011218217 [0,2,0,0,0,0|1,0,0]=3 1279 B11R0.61 CC=CC(=O)N(CCC)CCC 11a_100000210455_100000210699 [0,2,0,0,0,0|2,0,0]=4 1280 B11R0.61 CC=CC(=O)N(CCC)CCC 1626a_100000210455_100000210699 [0,2,0,0,0,0|2,0,0]=4 1281 B11R0.61 CC=CC(=O)N(CCC)CCC 240690a_100000210455_100000210699 [0,2,0,0,0,0|2,0,0]=4 1282 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100000211992_200011218217 [0,2,0,0,0,0|1,0,0]=3 1283 B11R0.61 CCCC(=O)C(CCC)CCC 1458a_100011215354_100000210303 [0,2,0,0,0,0|1,0,0]=3 1284 B11R0.61 CCCC(=O)C(CCC)OCC 34a_200011216804_100000210202 [0,2,0,0,0,0|2,0,0]=4 1285 B11R0.61 CCCC(=O)C(CCC)OCC 7a_200011216804_100000210202 [0,2,0,0,0,0|2,0,0]=4 1286 B11R0.61 CCCC(=O)N(CCC)CCC 11a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 1287 B11R0.61 CCCC(=O)N(CCC)CCC 1626a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 1288 B11R0.61 CCCC(=O)N(CCC)CCC 240690a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 1289 B11R0.61 CCCC(=O)N(CCC)CCC 527a_100000210455_100000211992 [0,2,0,0,0,0|2,0,0]=4 1290 B11R0.61 CCCC(CCC)C(=O)C=CBr 1458a_100016273825_200011218217 [0,2,0,0,0,0|1,0,0]=3 1291 B11R0.61 CCCC(CCC)C(=O)C=CCl 1458a_200016279998_200011218217 [0,2,0,0,0,0|1,0,0]=3 1292 B11R0.61 CCCC(CCC)C(=O)C=CI 1458a_100016256311_200011218217 [0,2,0,0,0,0|1,0,0]=3 1293 B11R0.61 CCCC(CCC)C(=O)CC#N 1458a_100011215354_100011214920 [0,2,0,0,0,0|1,0,0]=3 1294 B11R0.61 CCCC(CCC)C(=O)CC#N 1458a_100051588842_200011218217 [0,2,0,0,0,0|1,0,0]=3 1295 B11R0.61 CCCC(CCC)C(=O)CCF 1458a_100011215354_100011217306 [0,2,0,0,0,0|1,0,0]=3 1296 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [0,2,0,0,0,0|0,0,0]=2 1297 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [0,2,0,0,0,0|0,0,0]=2 1298 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [0,2,0,0,0,0|0,0,0]=2 1299 B11R0.61 CCCC(CCC)C(=O)CSC 1458a_100000184570_200011218217 [0,2,0,0,0,0|0,1,0]=3 1300 B11R0.61 CCCC(CCC)C(=O)NCC 11a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 1301 B11R0.61 CCCC(CCC)C(=O)NCC 240690a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 1302 B11R0.61 CCCC(CCC)C(=O)NCC 527a_100015525214_100011215354 [0,2,0,0,0,0|1,0,0]=3 1303 B11R0.61 CCCC(CCC)C(=O)NNC 22a_100016993582_100011215354 [0,2,0,0,0,0|1,0,0]=3 1304 B11R0.61 CCCC(CCC)N(C)CCO 269982a_100000210263_200011218217 [0,2,0,0,0,0|2,0,0]=4 1305 B11R0.61 CCCC(CCC)N(C)CCO 270004a_100000210263_100000210088 [0,2,0,0,0,0|2,0,0]=4 1306 B11R0.61 CCCC(NCC)C(=O)OCC 2230a_100015525214_100000695697 [0,2,0,0,0,0|1,0,0]=3 1307 B11R0.61 CCCC(OCC)C(=O)OCC 34a_100121572206_100000695697 [0,2,0,0,0,0|1,0,0]=3 1308 B11R0.61 CCCC(OCC)C(=O)OCC 34a_200011218214_100000210202 [0,2,0,0,0,0|1,0,0]=3 1309 B11R0.61 CCCC(OCC)C(=O)OCC 7a_200011218214_100000210202 [0,2,0,0,0,0|1,0,0]=3 1310 B11R0.61 CCCC(OCF)C(=O)OCC 34a_200011218214_100015361967 [0,2,0,0,0,0|2,0,0]=4 1311 B11R0.61 CCCC(OCF)C(=O)OCC 7a_200011218214_100015361967 [0,2,0,0,0,0|2,0,0]=4 1312 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000210202_100000695697 [0,2,0,0,0,0|1,0,0]=3 1313 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000695697_100000210202 [0,2,0,0,0,0|1,0,0]=3 1314 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100000695697_100015361967 [0,2,0,0,0,0|2,0,0]=4 1315 B11R0.61 CCCC(SCF)C(=O)OCC 62a_100015361967_100000695697 [0,2,0,0,0,0|2,0,0]=4 1316 B11R0.61 CCCN(CCC)C(=O)C=CBr 1626a_100000210455_100016273825 [0,2,0,0,0,0|2,0,0]=4 1317 B11R0.61 CCCN(CCC)C(=O)C=CBr 240690a_100000210455_100016273825 [0,2,0,0,0,0|2,0,0]=4 1318 B11R0.61 CCCN(CCC)C(=O)C=CCl 11a_100000210455_200016279998 [0,2,0,0,0,0|2,0,0]=4 1319 B11R0.61 CCCN(CCC)C(=O)C=CCl 1626a_100000210455_200016279998 [0,2,0,0,0,0|2,0,0]=4 1320 B11R0.61 CCCN(CCC)C(=O)C=CCl 240690a_100000210455_200016279998 [0,2,0,0,0,0|2,0,0]=4 1321 B11R0.61 CCCN(CCC)C(=O)C=CI 1626a_100000210455_100016256311 [0,2,0,0,0,0|2,0,0]=4 1322 B11R0.61 CCCN(CCC)C(=O)CC#N 1626a_100000210455_100051588842 [0,2,0,0,0,0|2,0,0]=4 1323 B11R0.61 CCCN(CCC)C(=O)CC#N 240690a_100000210455_100051588842 [0,2,0,0,0,0|2,0,0]=4 1324 B11R0.61 CCCN(CCC)C(=O)CCO 240690a_100000210455_100011216618 [0,2,0,0,0,0|1,0,0]=3 1325 B11R0.61 CCCN(CCC)C(=O)CNC 2230a_106832991635_100000230176 [0,2,0,0,0,0|2,0,0]=4 1326 B11R0.61 CCCN(CCC)C(=O)CNC 2230a_200025745760_200000210301 [0,2,0,0,0,0|2,0,0]=4 1327 B11R0.61 CCCN(CCC)C(=O)CNC 34a_100102657272_100000230176 [0,2,0,0,0,0|2,0,0]=4 1328 B11R0.61 CCCN(CCC)C(=O)CNC 7a_106832991635_100000230176 [0,2,0,0,0,0|2,0,0]=4 1329 B11R0.61 CCCN(CCC)C(=O)CN[13CH3] 2230a_200025745760_200025704644 [0,2,0,0,0,0|2,0,0]=4 1330 B11R0.61 CCCN(CCC)C(=O)COC 11a_100000210455_100000210968 [0,2,0,0,0,0|1,0,0]=3 1331 B11R0.61 CCCN(CCC)C(=O)COC 1626a_100000210455_100000210968 [0,2,0,0,0,0|1,0,0]=3 1332 B11R0.61 CCCN(CCC)C(=O)COC 240690a_100000210455_100000210968 [0,2,0,0,0,0|1,0,0]=3 1333 B11R0.61 CCCN(CCC)C(=O)COC 34a_100138415774_100000230176 [0,2,0,0,0,0|1,0,0]=3 1334 B11R0.61 CCCN(CCC)C(=O)COC 527a_100000210455_100000210968 [0,2,0,0,0,0|1,0,0]=3 1335 B11R0.61 CCCN(CCC)C(=O)CSC 11a_100000210455_100000184570 [0,2,0,0,0,0|1,1,0]=4 1336 B11R0.61 CCCN(CCC)C(=O)CSC 1626a_100000210455_100000184570 [0,2,0,0,0,0|1,1,0]=4 1337 B11R0.61 CCCN(CCC)C(=O)CSC 240690a_100000210455_100000184570 [0,2,0,0,0,0|1,1,0]=4 1338 B11R0.61 CCCN(CCC)C(=O)CSC 527a_100000210455_100000184570 [0,2,0,0,0,0|1,1,0]=4 1339 B11R0.61 CCCN(CCC)C(=O)CSC 62a_100000230176_200000210301 [0,2,0,0,0,0|1,1,0]=4 1340 B11R0.61 CCCN(CCC)C(=O)CSC 62a_200000210301_100000230176 [0,2,0,0,0,0|1,1,0]=4 1341 B11R0.61 CCCN(CCC)C(=O)CS[13CH3] 62a_100000230176_200025704644 [0,2,0,0,0,0|1,1,0]=4 1342 B11R0.61 CCCN(CCC)C(=O)CS[13CH3] 62a_200025704644_100000230176 [0,2,0,0,0,0|1,1,0]=4 1343 B11R0.61 CCCN(CCC)C(=O)NCC 2708a_100015525214_100000210455 [0,2,0,0,0,0|2,0,0]=4 1344 B11R0.61 CCCN(CCC)C(=O)NCC 273464a_100015525214_100000210455 [0,2,0,0,0,0|2,0,0]=4 1345 B11R0.61 CCCN(CCO)C(=O)CCO 240690a_100000211420_100011216618 [0,2,0,0,0,0|2,0,0]=4 1346 B11R0.61 CCCN(CCO)C(=O)COC 240690a_100000211420_100000210968 [0,2,0,0,0,0|2,0,0]=4 1347 B11R0.61 CCOC(=O)C(OCC)OCC 34a_100121572206_100000033883 [0,2,0,0,0,0|2,0,0]=4 1348 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000033883_100000210202 [0,2,0,0,0,0|2,0,0]=4 1349 B11R0.61 CCOC(=O)C(OCC)SCC 62a_100000210202_100000033883 [0,2,0,0,0,0|2,0,0]=4 1350 B11R0.61 CCOC(OCC)C(=O)CCO 1458a_100000082760_100000211926 [0,2,0,0,0,0|2,0,0]=4 1351 B11R0.36 C#CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000184674 [0,2,0,0,0,0|0,0,2]=4 1352 B11R0.36 C#CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000184674 [0,2,0,0,0,0|0,0,2]=4 1353 B11R0.36 C=CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210623 [0,2,0,0,0,0|0,0,2]=4 1354 B11R0.36 C=CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210623 [0,2,0,0,0,0|0,0,2]=4 1355 B11R0.36 CC(=O)N(CCCO)CCCO 240690a_100000212923_100015343762 [0,2,0,0,0,0|2,0,0]=4 1356 B11R0.36 CC(=O)N(CCCO)CCCO 527a_100000212923_100103153847 [0,2,0,0,0,0|2,0,0]=4 1357 B11R0.36 CCCCC(CCCC)C(=O)C 1458a_100000078208_200000210301 [0,2,0,0,0,0|1,0,0]=3 1358 B11R0.36 CCCCC(CCCC)C(=O)[13CH3] 1458a_100000078208_200025704644 [0,2,0,0,0,0|1,0,0]=3 1359 B11R0.36 CCCCC(NCCF)C(=O)N 34a_100000724931_100000748834 [0,2,0,0,0,0|2,0,0]=4 1360 B11R0.36 CCCCC(NCCO)C(=O)N 2230a_100016997473_100000748834 [0,2,0,0,0,0|2,0,0]=4 1361 B11R0.36 CCCCC(NCCO)C(=O)N 34a_100016990907_100000748834 [0,2,0,0,0,0|2,0,0]=4 1362 B11R0.36 CCCCC(OCCBr)C(=O)N 34a_100000211926_100000748834 [0,2,0,0,0,0|2,0,0]=4 1363 B11R0.36 CCCCC(OCCC)C(=O)N 34a_100000210258_100000748834 [0,2,0,0,0,0|1,0,0]=3 1364 B11R0.36 CCCCC(OCCN)C(=O)N 34a_100000210304_100000748834 [0,2,0,0,0,0|2,0,0]=4 1365 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000210303_100000748834 [0,2,0,0,0,0|1,0,0]=3 1366 B11R0.36 CCCCC(SCCC)C(=O)N 62a_100000748834_100000210303 [0,2,0,0,0,0|1,0,0]=3 1367 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100000748834_100011217306 [0,2,0,0,0,0|2,0,0]=4 1368 B11R0.36 CCCCC(SCCF)C(=O)N 62a_100011217306_100000748834 [0,2,0,0,0,0|2,0,0]=4 1369 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000211926_100000748834 [0,2,0,0,0,0|2,0,0]=4 1370 B11R0.36 CCCCC(SCCO)C(=O)N 62a_100000748834_100000211926 [0,2,0,0,0,0|2,0,0]=4 1371 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000748834_100000766300 [0,2,0,0,0,0|2,0,0]=4 1372 B11R0.36 CCCCC(SCOC)C(=O)N 62a_100000766300_100000748834 [0,2,0,0,0,0|2,0,0]=4 1373 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100000748834_100011218213 [0,2,0,0,0,0|2,0,0]=4 1374 B11R0.36 CCCCC(SCSC)C(=O)N 62a_100011218213_100000748834 [0,2,0,0,0,0|2,0,0]=4 1375 B11R0.36 CCCCN(CCCC)C(=O)C 11a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 1376 B11R0.36 CCCCN(CCCC)C(=O)C 1626a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 1377 B11R0.36 CCCCN(CCCC)C(=O)C 240690a_100000684618_100015343762 [0,2,0,0,0,0|2,0,0]=4 1378 B11R0.36 CCCCN(CCCC)C(=O)C 527a_100000684618_100103153847 [0,2,0,0,0,0|2,0,0]=4 1379 B11R0.36 CCCCN(CCOC)C(=O)C 11a_100000207391_100015343762 [0,2,0,0,0,0|2,0,0]=4 1380 B11R0.36 CCCCN(CCOC)C(=O)C 1626a_100000207391_100015343762 [0,2,0,0,0,0|2,0,0]=4 1381 B11R0.36 CCCCN(CCOC)C(=O)C 240690a_100000207391_100015343762 [0,2,0,0,0,0|2,0,0]=4 1382 B11R0.36 CCCCN(CCOC)C(=O)C 527a_100000207391_100103153847 [0,2,0,0,0,0|2,0,0]=4 1383 B11R0.36 CCCC[C@H](NCCC)C(=O)N 2230a_100000124899_100000210303 [0,2,0,0,0,0|1,0,0]=3 1384 B11R0.36 CCCC[C@H](NCCC)C(=O)N 34a_100000124899_100000210303 [0,2,0,0,0,0|1,0,0]=3 1385 B11R0.36 CCCC[C@H](NCCF)C(=O)N 2230a_100000124899_100011217306 [0,2,0,0,0,0|2,0,0]=4 1386 B11R0.36 CCCC[C@H](NCCF)C(=O)N 34a_100000124899_100011217306 [0,2,0,0,0,0|2,0,0]=4 1387 B11R0.36 CCCC[C@H](NCCO)C(=O)N 2230a_100000124899_100000211926 [0,2,0,0,0,0|2,0,0]=4 1388 B11R0.36 CCCC[C@H](NCCO)C(=O)N 34a_100000124899_100000211926 [0,2,0,0,0,0|2,0,0]=4 1389 B11R0.36 CCCC[C@H](NCOC)C(=O)N 2230a_100000124899_100000766300 [0,2,0,0,0,0|2,0,0]=4 1390 B11R0.36 CCCC[C@H](NCSC)C(=O)N 2230a_100000124899_100011218213 [0,2,0,0,0,0|2,0,0]=4 1391 B11R0.36 CCCC[C@H](NCSC)C(=O)N 34a_100000124899_100011218213 [0,2,0,0,0,0|2,0,0]=4 1392 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210303 [0,2,0,0,0,0|1,0,0]=3 1393 B11R0.36 CCCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210303 [0,2,0,0,0,0|1,0,0]=3 1394 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,2,0,0,0,0|0,0,0]=2 1395 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,2,0,0,0,0|0,0,0]=2 1396 B11R0.36 COCCN(CCOC)C(=O)C 11a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 1397 B11R0.36 COCCN(CCOC)C(=O)C 1626a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 1398 B11R0.36 COCCN(CCOC)C(=O)C 240690a_100000210589_100015343762 [0,2,0,0,0,0|2,0,0]=4 1399 B11R0.36 COCCN(CCOC)C(=O)C 527a_100000210589_100103153847 [0,2,0,0,0,0|2,0,0]=4 1400 B11R0.36 COCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000766300 [0,2,0,0,0,0|2,0,0]=4 1401 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,2,0,0,0,0|1,0,0]=3 1402 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,2,0,0,0,0|1,0,0]=3 1403 B11R0.36 CSCC[C@H](NCC#N)C(=O)O 269956a_100000743919_100011215382 [0,2,0,0,0,0|1,0,1]=4 1404 B11R0.36 CSCC[C@H](NCC=O)C(=O)O 269956a_100000743919_200015260668 [0,2,0,0,0,0|1,0,1]=4 1405 B11R0.36 CSCC[C@H](NCCF)C(=O)N 2230a_100000119342_100011217306 [0,2,0,0,0,0|2,0,0]=4 1406 B11R0.36 CSCC[C@H](NCCF)C(=O)N 34a_100000119342_100011217306 [0,2,0,0,0,0|2,0,0]=4 1407 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,2,0,0,0,0|1,0,0]=3 1408 B11R0.36 CSCC[C@H](NCCO)C(=O)N 2230a_100000119342_100000211926 [0,2,0,0,0,0|2,0,0]=4 1409 B11R0.36 CSCC[C@H](NCCO)C(=O)N 34a_100000119342_100000211926 [0,2,0,0,0,0|2,0,0]=4 1410 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,2,0,0,0,0|1,0,0]=3 1411 B11R0.36 CSCC[C@H](NCSC)C(=O)N 2230a_100000119342_100011218213 [0,2,0,0,0,0|2,0,0]=4 1412 B11R0.36 CSCC[C@H](NCSC)C(=O)N 34a_100000119342_100011218213 [0,2,0,0,0,0|2,0,0]=4 1413 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,2,0,0,0,0|1,0,0]=3 1414 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,2,0,0,0,0|1,0,0]=3 1415 B11R0.36 C[Se]CC[C@H](NCC#N)C(=O)O 269956a_100020619752_100011215382 [0,2,0,0,0,0|1,0,1]=4 1416 B11R0.36 C[Se]CC[C@H](NCC=O)C(=O)O 269956a_100020619752_200015260668 [0,2,0,0,0,0|1,0,1]=4 1417 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,2,0,0,0,0|1,0,0]=3 1418 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,2,0,0,0,0|1,0,0]=3 1419 B11R0.78 C#CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000688953 [0,2,0,0,0,0|1,0,1]=4 1420 B11R0.78 C#CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000688953 [0,2,0,0,0,0|1,0,1]=4 1421 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [0,2,0,0,0,0|0,0,1]=3 1422 B11R0.78 C#CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000688953 [0,2,0,0,0,0|1,0,1]=4 1423 B11R0.78 C#CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000688953 [0,2,0,0,0,0|1,0,1]=4 1424 B11R0.78 C#CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000688953 [0,2,0,0,0,0|1,0,1]=4 1425 B11R0.78 C#CCCOC(CCC)C(=O)N 34a_100011626294_100000688953 [0,2,0,0,0,0|1,0,1]=4 1426 B11R0.78 C#CCCOC(CCC)C(=O)N 7a_100011626294_100000688953 [0,2,0,0,0,0|1,0,1]=4 1427 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)N 34a_100000729256_100102629194 [0,2,0,0,0,0|1,0,1]=4 1428 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,2,0,0,0,0|0,0,1]=3 1429 B11R0.78 C/C=C/CN[C@@H](CSC)C(=O)O 269956a_100011421858_100102629194 [0,2,0,0,0,0|1,0,1]=4 1430 B11R0.78 C/C=C/CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100102629194 [0,2,0,0,0,0|1,0,1]=4 1431 B11R0.78 C/C=C/CN[C@H](COC)C(=O)O 269956a_100011998655_100102629194 [0,2,0,0,0,0|1,0,1]=4 1432 B11R0.78 C/C=C/COC(CCC)C(=O)N 34a_100011626294_100102629194 [0,2,0,0,0,0|1,0,1]=4 1433 B11R0.78 C/C=C/COC(CCC)C(=O)N 7a_100011626294_100102629194 [0,2,0,0,0,0|1,0,1]=4 1434 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000754431 [0,2,0,0,0,0|1,0,1]=4 1435 B11R0.78 C=CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000754431 [0,2,0,0,0,0|1,0,1]=4 1436 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,2,0,0,0,0|0,0,1]=3 1437 B11R0.78 C=CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000754431 [0,2,0,0,0,0|1,0,1]=4 1438 B11R0.78 C=CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000754431 [0,2,0,0,0,0|1,0,1]=4 1439 B11R0.78 C=CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000754431 [0,2,0,0,0,0|1,0,1]=4 1440 B11R0.78 C=CCCOC(CCC)C(=O)N 34a_100011626294_100000754431 [0,2,0,0,0,0|1,0,1]=4 1441 B11R0.78 C=CCCOC(CCC)C(=O)N 7a_100011626294_100000754431 [0,2,0,0,0,0|1,0,1]=4 1442 B11R0.78 CC#CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748600 [0,2,0,0,0,0|1,0,1]=4 1443 B11R0.78 CC#CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000748600 [0,2,0,0,0,0|1,0,1]=4 1444 B11R0.78 CC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748600 [0,2,0,0,0,0|0,0,1]=3 1445 B11R0.78 CC#CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748600 [0,2,0,0,0,0|1,0,1]=4 1446 B11R0.78 CC#CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748600 [0,2,0,0,0,0|1,0,1]=4 1447 B11R0.78 CC#CCN[C@H](COC)C(=O)O 269956a_100011998655_100000748600 [0,2,0,0,0,0|1,0,1]=4 1448 B11R0.78 CC#CCOC(CCC)C(=O)N 34a_100011626294_100000748600 [0,2,0,0,0,0|1,0,1]=4 1449 B11R0.78 CC#CCOC(CCC)C(=O)N 7a_100011626294_100000748600 [0,2,0,0,0,0|1,0,1]=4 1450 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000070051 [0,2,0,0,0,0|1,0,1]=4 1451 B11R0.78 CC=CCN[C@@H](CCC)C(=O)N 34a_100000729256_100000070051 [0,2,0,0,0,0|1,0,1]=4 1452 B11R0.78 CC=CCOC(CCC)C(=O)N 34a_100011626294_100000070051 [0,2,0,0,0,0|1,0,1]=4 1453 B11R0.78 CC=CCOC(CCC)C(=O)N 7a_100011626294_100000070051 [0,2,0,0,0,0|1,0,1]=4 1454 B11R0.78 CCCC(OCCC#N)C(=O)N 7a_100011626294_100000184422 [0,2,0,0,0,0|1,0,1]=4 1455 B11R0.78 CCCC(OCCCF)C(=O)N 34a_100011626294_100011934791 [0,2,0,0,0,0|1,0,0]=3 1456 B11R0.78 CCCC(OCCCF)C(=O)N 7a_100011626294_100011934791 [0,2,0,0,0,0|1,0,0]=3 1457 B11R0.78 CCCC(OCCCO)C(=O)N 34a_100011626294_100000230001 [0,2,0,0,0,0|1,0,0]=3 1458 B11R0.78 CCCC(OCCCO)C(=O)N 7a_100011626294_100011215043 [0,2,0,0,0,0|1,0,0]=3 1459 B11R0.78 CCCC(OCCOC)C(=O)N 34a_100011626294_100011201679 [0,2,0,0,0,0|1,0,0]=3 1460 B11R0.78 CCCC(OCCOC)C(=O)N 7a_100011626294_100000233755 [0,2,0,0,0,0|1,0,0]=3 1461 B11R0.78 CCCC(OCCSC)C(=O)N 34a_100011626294_100000212216 [0,2,0,0,0,0|1,0,0]=3 1462 B11R0.78 CCCC(OCCSC)C(=O)N 7a_100011626294_100000212216 [0,2,0,0,0,0|1,0,0]=3 1463 B11R0.78 CCCCCC(CCC)C(=O)C 1458a_200011416452_200000210301 [0,2,0,0,0,0|1,0,0]=3 1464 B11R0.78 CCCCCC(CCC)C(=O)[13CH3] 1458a_200011416452_200025704644 [0,2,0,0,0,0|1,0,0]=3 1465 B11R0.78 CCCCCN(CCC)C(=O)C 11a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 1466 B11R0.78 CCCCCN(CCC)C(=O)C 1626a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 1467 B11R0.78 CCCCCN(CCC)C(=O)C 240690a_200000226819_100015343762 [0,2,0,0,0,0|2,0,0]=4 1468 B11R0.78 CCCCCN(CCC)C(=O)C 527a_200000226819_100103153847 [0,2,0,0,0,0|2,0,0]=4 1469 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210211 [0,2,0,0,0,0|1,0,0]=3 1470 B11R0.78 CCCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210210 [0,2,0,0,0,0|1,0,0]=3 1471 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,2,0,0,0,0|0,0,0]=2 1472 B11R0.78 CCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210211 [0,2,0,0,0,0|1,0,0]=3 1473 B11R0.78 CCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210211 [0,2,0,0,0,0|1,0,0]=3 1474 B11R0.78 CCCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210211 [0,2,0,0,0,0|1,0,0]=3 1475 B11R0.78 CCCCOC(CCC)C(=O)N 34a_100011626294_100000210210 [0,2,0,0,0,0|1,0,0]=3 1476 B11R0.78 CCCCOC(CCC)C(=O)N 7a_100011626294_100000210211 [0,2,0,0,0,0|1,0,0]=3 1477 B11R0.78 CCC[C@H](NCCC#N)C(=O)N 2230a_100000729256_100011215226 [0,2,0,0,0,0|1,0,1]=4 1478 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [0,2,0,0,0,0|0,0,1]=3 1479 B11R0.78 CCC[C@H](NCCCF)C(=O)N 2230a_100000729256_100011934791 [0,2,0,0,0,0|1,0,0]=3 1480 B11R0.78 CCC[C@H](NCCCF)C(=O)N 34a_100000729256_100011934791 [0,2,0,0,0,0|1,0,0]=3 1481 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,2,0,0,0,0|0,0,0]=2 1482 B11R0.78 CCC[C@H](NCCCO)C(=O)N 2230a_100000729256_100000230001 [0,2,0,0,0,0|1,0,0]=3 1483 B11R0.78 CCC[C@H](NCCCO)C(=O)N 34a_100000729256_100000230001 [0,2,0,0,0,0|1,0,0]=3 1484 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,2,0,0,0,0|0,0,0]=2 1485 B11R0.78 CCC[C@H](NCCOC)C(=O)N 2230a_100000729256_100011201679 [0,2,0,0,0,0|1,0,0]=3 1486 B11R0.78 CCC[C@H](NCCOC)C(=O)N 34a_100000729256_100011201679 [0,2,0,0,0,0|1,0,0]=3 1487 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,2,0,0,0,0|0,0,0]=2 1488 B11R0.78 CCC[C@H](NCCSC)C(=O)N 2230a_100000729256_100000751147 [0,2,0,0,0,0|1,0,0]=3 1489 B11R0.78 CCC[C@H](NCCSC)C(=O)N 34a_100000729256_100000212216 [0,2,0,0,0,0|1,0,0]=3 1490 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,2,0,0,0,0|0,0,0]=2 1491 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,2,0,0,0,0|0,0,0]=2 1492 B11R0.78 CCC[C@H](NCSC#N)C(=O)O 269956a_100000750406_100000211825 [0,2,0,0,0,0|1,0,1]=4 1493 B11R0.78 CCOCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000739092 [0,2,0,0,0,0|1,0,0]=3 1494 B11R0.78 CCOCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000739092 [0,2,0,0,0,0|1,0,0]=3 1495 B11R0.78 CCOCN[C@H](COC)C(=O)O 269956a_100011998655_100000739092 [0,2,0,0,0,0|1,0,0]=3 1496 B11R0.78 COCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000233755 [0,2,0,0,0,0|1,0,0]=3 1497 B11R0.78 COCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000233755 [0,2,0,0,0,0|1,0,0]=3 1498 B11R0.78 COCCN[C@H](COC)C(=O)O 269956a_100011998655_100000233755 [0,2,0,0,0,0|1,0,0]=3 1499 B11R0.78 COC[C@@H](NCCC#N)C(=O)O 269956a_100011998655_100011215226 [0,2,0,0,0,0|1,0,1]=4 1500 B11R0.78 COC[C@@H](NCCCF)C(=O)O 269956a_100011998655_100011934791 [0,2,0,0,0,0|1,0,0]=3 1501 B11R0.78 COC[C@@H](NCCCO)C(=O)O 269956a_100011998655_100011215043 [0,2,0,0,0,0|1,0,0]=3 1502 B11R0.78 COC[C@@H](NCCSC)C(=O)O 269956a_100011998655_100000212216 [0,2,0,0,0,0|1,0,0]=3 1503 B11R0.78 CSCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000212216 [0,2,0,0,0,0|1,0,0]=3 1504 B11R0.78 CSCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000212216 [0,2,0,0,0,0|1,0,0]=3 1505 B11R0.78 CSC[C@H](NCCC#N)C(=O)O 269956a_100011421858_100011215226 [0,2,0,0,0,0|1,0,1]=4 1506 B11R0.78 CSC[C@H](NCCCF)C(=O)O 269956a_100011421858_100011934791 [0,2,0,0,0,0|1,0,0]=3 1507 B11R0.78 CSC[C@H](NCCCO)C(=O)O 269956a_100011421858_100011215043 [0,2,0,0,0,0|1,0,0]=3 1508 B11R0.78 C[Se]C[C@H](NCCC#N)C(=O)O 269956a_100015254316_100011215226 [0,2,0,0,0,0|1,0,1]=4 1509 B11R0.78 C[Se]C[C@H](NCCCF)C(=O)O 269956a_100015254316_100011934791 [0,2,0,0,0,0|1,0,0]=3 1510 B11R0.78 C[Se]C[C@H](NCCCO)C(=O)O 269956a_100015254316_100011215043 [0,2,0,0,0,0|1,0,0]=3 1511 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 2230a_100000729256_100000748629 [0,2,0,0,0,0|1,0,1]=4 1512 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)N 34a_100000729256_100000748629 [0,2,0,0,0,0|1,0,1]=4 1513 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,2,0,0,0,0|0,0,1]=3 1514 B11R0.146 C=C(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748629 [0,2,0,0,0,0|1,0,1]=4 1515 B11R0.146 C=C(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748629 [0,2,0,0,0,0|1,0,1]=4 1516 B11R0.146 C=C(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748629 [0,2,0,0,0,0|1,0,1]=4 1517 B11R0.146 C=C(C)COC(CCC)C(=O)N 34a_100011626294_100000748629 [0,2,0,0,0,0|1,0,1]=4 1518 B11R0.146 C=C(C)COC(CCC)C(=O)N 7a_100011626294_100000748629 [0,2,0,0,0,0|1,0,1]=4 1519 B11R0.146 C=C(F)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000042424 [0,2,0,0,0,0|0,0,2]=4 1520 B11R0.146 CCCC(OCC(C)C)C(=O)N 34a_100011626294_100000210624 [0,2,0,0,0,0|1,0,0]=3 1521 B11R0.146 CCCC(OCC(C)C)C(=O)N 7a_100011626294_100000210760 [0,2,0,0,0,0|1,0,0]=3 1522 B11R0.146 CCCC(OCC(C)O)C(=O)N 34a_100011626294_100011218427 [0,2,0,0,0,0|1,0,0]=3 1523 B11R0.146 CCCC(OCC(C)O)C(=O)N 7a_100011626294_100011218427 [0,2,0,0,0,0|1,0,0]=3 1524 B11R0.146 CCCC(OCC(F)F)C(=O)N 34a_100011626294_100011934356 [0,2,0,0,0,0|2,0,0]=4 1525 B11R0.146 CCCC(OCC(F)F)C(=O)N 7a_100011626294_100011934356 [0,2,0,0,0,0|2,0,0]=4 1526 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 34a_100011626294_100009817552 [0,2,0,0,0,0|1,0,0]=3 1527 B11R0.146 CCCC(OC[C@@H](C)O)C(=O)N 7a_100011626294_100009817552 [0,2,0,0,0,0|1,0,0]=3 1528 B11R0.146 CCCN(CCN(C)C)C(=O)C 11a_100000226821_100015343762 [0,2,0,0,0,0|2,0,0]=4 1529 B11R0.146 CCCN(CCN(C)C)C(=O)C 240690a_100000226821_100015343762 [0,2,0,0,0,0|2,0,0]=4 1530 B11R0.146 CCCN(CCN(C)C)C(=O)C 527a_100000226821_100103153847 [0,2,0,0,0,0|2,0,0]=4 1531 B11R0.146 CCC[C@H](NCC(=O)N)C(=O)O 269956a_100000750406_100000187820 [0,2,0,0,0,0|1,0,1]=4 1532 B11R0.146 CCC[C@H](NCC(=O)[O-])C(=O)O 269956a_100000750406_100020667443 [0,2,0,0,0,0|1,0,1]=4 1533 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 2230a_100000729256_100000210760 [0,2,0,0,0,0|1,0,0]=3 1534 B11R0.146 CCC[C@H](NCC(C)C)C(=O)N 34a_100000729256_100000210624 [0,2,0,0,0,0|1,0,0]=3 1535 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,2,0,0,0,0|0,0,0]=2 1536 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 2230a_100000729256_100011218427 [0,2,0,0,0,0|1,0,0]=3 1537 B11R0.146 CCC[C@H](NCC(C)O)C(=O)N 34a_100000729256_100011218427 [0,2,0,0,0,0|1,0,0]=3 1538 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,2,0,0,0,0|0,0,0]=2 1539 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 2230a_100000729256_100011934356 [0,2,0,0,0,0|2,0,0]=4 1540 B11R0.146 CCC[C@H](NCC(F)F)C(=O)N 34a_100000729256_100011934356 [0,2,0,0,0,0|2,0,0]=4 1541 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,2,0,0,0,0|1,0,0]=3 1542 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000729256_100009817552 [0,2,0,0,0,0|1,0,0]=3 1543 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)N 34a_100000729256_100009817552 [0,2,0,0,0,0|1,0,0]=3 1544 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,2,0,0,0,0|0,0,0]=2 1545 B11R0.146 CCC[C@H](NC[N+](=O)[O-])C(=O)O 269956a_100000750406_100000761209 [0,2,0,0,0,0|2,0,0]=4 1546 B11R0.146 CCNC(CC=C(C)C)C(=O)O 269956a_100102631519_100000210202 [0,2,0,0,0,0|1,0,1]=4 1547 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,2,0,0,0,0|1,0,0]=3 1548 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|1,0,0]=3 1549 B11R0.146 COC[C@@H](NCC(C)C)C(=O)O 269956a_100011998655_100000210760 [0,2,0,0,0,0|1,0,0]=3 1550 B11R0.146 COC[C@@H](NCC(C)O)C(=O)O 269956a_100011998655_100011218427 [0,2,0,0,0,0|1,0,0]=3 1551 B11R0.146 COC[C@@H](NCC(F)F)C(=O)O 269956a_100011998655_100011934356 [0,2,0,0,0,0|2,0,0]=4 1552 B11R0.146 COC[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100011998655_100009817552 [0,2,0,0,0,0|1,0,0]=3 1553 B11R0.146 CS(=O)CC[C@H](NCF)C(=O)O 269956a_100015235763_100015361967 [0,2,0,0,0,0|2,0,0]=4 1554 B11R0.146 CSC[C@H](NCC(C)C)C(=O)O 269956a_100011421858_100000210760 [0,2,0,0,0,0|1,0,0]=3 1555 B11R0.146 CSC[C@H](NCC(C)O)C(=O)O 269956a_100011421858_100011218427 [0,2,0,0,0,0|1,0,0]=3 1556 B11R0.146 CSC[C@H](NCC(F)F)C(=O)O 269956a_100011421858_100011934356 [0,2,0,0,0,0|2,0,0]=4 1557 B11R0.146 CSC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100011421858_100009817552 [0,2,0,0,0,0|1,0,0]=3 1558 B11R0.146 C[S+](C)CCC(NCF)C(=O)O 269956a_100000210779_100015361967 [0,2,0,0,0,0|2,0,0]=4 1559 B11R0.146 C[Se]C[C@H](NCC(C)C)C(=O)O 269956a_100015254316_100000210760 [0,2,0,0,0,0|1,0,0]=3 1560 B11R0.146 C[Se]C[C@H](NCC(C)O)C(=O)O 269956a_100015254316_100011218427 [0,2,0,0,0,0|1,0,0]=3 1561 B11R0.146 C[Se]C[C@H](NCC(F)F)C(=O)O 269956a_100015254316_100011934356 [0,2,0,0,0,0|2,0,0]=4 1562 B11R0.146 C[Se]C[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015254316_100009817552 [0,2,0,0,0,0|1,0,0]=3 1563 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,0]=3 1564 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,0]=3 1565 B9R1.6 CC(=O)C1CCCCO1 1458a_100000748299_200000210301 [1,0,0,1,0,0|2,0,0]=4 1566 B9R1.6 CC(=O)C1CCCOC1 1458a_100000070787_100000693364 [1,0,0,1,0,0|2,0,0]=4 1567 B9R1.6 CC(=O)C1CCCOC1 1458a_100000741522_200000210301 [1,0,0,1,0,0|2,0,0]=4 1568 B9R1.6 CC(=O)C1CCOCC1 1458a_100000070787_100011324220 [1,0,0,1,0,0|2,0,0]=4 1569 B9R1.6 CC(=O)C1CCOCC1 1458a_100000195482_200000210301 [1,0,0,1,0,0|2,0,0]=4 1570 B9R1.6 CC(=O)C1CCSCC1 1458a_100000755232_200000210301 [1,0,0,1,0,0|2,0,0]=4 1571 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,0]=3 1572 B9R1.6 [13CH3]C(=O)C1CCCCO1 1458a_100000748299_200025704644 [1,0,0,1,0,0|2,0,0]=4 1573 B9R1.6 [13CH3]C(=O)C1CCCOC1 1458a_100000741522_200025704644 [1,0,0,1,0,0|2,0,0]=4 1574 B9R1.6 [13CH3]C(=O)C1CCOCC1 1458a_100000195482_200025704644 [1,0,0,1,0,0|2,0,0]=4 1575 B9R1.6 [13CH3]C(=O)C1CCSCC1 1458a_100000755232_200025704644 [1,0,0,1,0,0|2,0,0]=4 1576 B9R1.15 CNC1CCCCC1=O 34a_100102657272_100000754470 [1,0,0,1,0,0|2,0,0]=4 1577 B9R1.15 CNC1CCCCC1=O 7a_106832991635_100000204591 [1,0,0,1,0,0|2,0,0]=4 1578 B9R1.15 CNC1CCCNC1=O 2230a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 1579 B9R1.15 CNC1CCCNC1=O 2230a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 1580 B9R1.15 CNC1CCCNC1=O 34a_100000747585_200000210301 [1,0,0,1,0,0|2,0,0]=4 1581 B9R1.15 CNC1CCCNC1=O 34a_100102657272_100000687798 [1,0,0,1,0,0|2,0,0]=4 1582 B9R1.15 CNC1CCCNC1=O 7a_106832991635_100000687798 [1,0,0,1,0,0|2,0,0]=4 1583 B9R1.15 COC1CCCCC1=O 34a_100011214950_200000210301 [1,0,0,1,0,0|2,0,0]=4 1584 B9R1.15 COC1CCCCC1=O 34a_100138415774_100000754470 [1,0,0,1,0,0|2,0,0]=4 1585 B9R1.15 COC1CCCNC1=O 34a_100000073722_200000210301 [1,0,0,1,0,0|2,0,0]=4 1586 B9R1.15 COC1CCCNC1=O 34a_100138415774_100000687798 [1,0,0,1,0,0|2,0,0]=4 1587 B9R1.15 CSC1CCCCC1=O 62a_100000204591_200000210301 [1,0,0,1,0,0|2,0,0]=4 1588 B9R1.15 CSC1CCCCC1=O 62a_200000210301_100000204591 [1,0,0,1,0,0|2,0,0]=4 1589 B9R1.15 CSC1CCCNC1=O 62a_100000687798_200000210301 [1,0,0,1,0,0|2,0,0]=4 1590 B9R1.15 CSC1CCCNC1=O 62a_200000210301_100000687798 [1,0,0,1,0,0|2,0,0]=4 1591 B9R1.15 [13CH3]NC1CCCNC1=O 2230a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 1592 B9R1.15 [13CH3]NC1CCCNC1=O 34a_100000747585_200025704644 [1,0,0,1,0,0|2,0,0]=4 1593 B9R1.15 [13CH3]OC1CCCCC1=O 34a_100011214950_200025704644 [1,0,0,1,0,0|2,0,0]=4 1594 B9R1.15 [13CH3]OC1CCCNC1=O 34a_100000073722_200025704644 [1,0,0,1,0,0|2,0,0]=4 1595 B9R1.15 [13CH3]SC1CCCCC1=O 62a_100000204591_200025704644 [1,0,0,1,0,0|2,0,0]=4 1596 B9R1.15 [13CH3]SC1CCCCC1=O 62a_200025704644_100000204591 [1,0,0,1,0,0|2,0,0]=4 1597 B9R1.15 [13CH3]SC1CCCNC1=O 62a_100000687798_200025704644 [1,0,0,1,0,0|2,0,0]=4 1598 B9R1.15 [13CH3]SC1CCCNC1=O 62a_200025704644_100000687798 [1,0,0,1,0,0|2,0,0]=4 1599 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,0]=3 1600 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,0]=3 1601 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 1602 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,0]=3 1603 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,0]=3 1604 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,0]=3 1605 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,0]=3 1606 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,0]=3 1607 B9R1.33 CCNC1CCCC1=O 2230a_100015525214_100000211823 [1,0,0,1,0,0|2,0,0]=4 1608 B9R1.33 CCNC1CCNC1=O 2230a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 1609 B9R1.33 CCNC1CCNC1=O 34a_100016995588_100000210202 [1,0,0,1,0,0|2,0,0]=4 1610 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,0]=3 1611 B9R1.33 CCOC1CCCC1=O 34a_100121572206_100000709159 [1,0,0,1,0,0|2,0,0]=4 1612 B9R1.33 CCOC1CCCC1=O 34a_200000719330_100000210202 [1,0,0,1,0,0|2,0,0]=4 1613 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,0]=3 1614 B9R1.33 CCO[C@H]1CCNC1=O 34a_100000688343_100000210202 [1,0,0,1,0,0|2,0,0]=4 1615 B9R1.33 CCSC1CCCC1=O 62a_100000210202_100000211823 [1,0,0,1,0,0|2,0,0]=4 1616 B9R1.33 CCSC1CCCC1=O 62a_100000211823_100000210202 [1,0,0,1,0,0|2,0,0]=4 1617 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,0]=3 1618 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,0]=3 1619 B9R1.33 COCC1CCNC1=O 34a_100000133458_200000210301 [1,0,0,1,0,0|2,0,0]=4 1620 B9R1.33 O=C1OCCC1SCF 62a_100000211211_100015361967 [1,0,0,1,0,0|2,0,0]=4 1621 B9R1.33 O=C1OCCC1SCF 62a_100015361967_100000211211 [1,0,0,1,0,0|2,0,0]=4 1622 B9R1.33 [13CH3]OCC1CCNC1=O 34a_100000133458_200025704644 [1,0,0,1,0,0|2,0,0]=4 1623 B9R1.35 CC(=O)C1CCC(C1)O 1458a_100000688591_200000210301 [1,0,0,1,0,0|2,0,0]=4 1624 B9R1.35 CC(=O)C1CCN(C1)C 1458a_100000739633_200000210301 [1,0,0,1,0,0|2,0,0]=4 1625 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 1626 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 1627 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|2,0,0]=4 1628 B9R1.35 CN1CCC(C1)C(=O)N 2230a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 1629 B9R1.35 CN1CCC(C1)C(=O)N 269982a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 1630 B9R1.35 CN1CCC(C1)C(=O)N 34a_100000752358_200000210301 [1,0,0,1,0,0|2,0,0]=4 1631 B9R1.35 CN1CCC(C1)C(=O)[13CH3] 1458a_100000739633_200025704644 [1,0,0,1,0,0|2,0,0]=4 1632 B9R1.35 [13CH3]C(=O)C1CCC(C1)O 1458a_100000688591_200025704644 [1,0,0,1,0,0|2,0,0]=4 1633 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 2230a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 1634 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 269982a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 1635 B9R1.35 [13CH3]N1CCC(C1)C(=O)N 34a_100000752358_200025704644 [1,0,0,1,0,0|2,0,0]=4 1636 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,0]=3 1637 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 1638 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 1639 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 1640 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 1641 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 1642 B9R1.41 CC(=O)[C@@H]1CCCN1C 1458a_100009816429_200000210301 [1,0,0,1,0,0|2,0,0]=4 1643 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,0]=3 1644 B9R1.41 CN1CCC[C@H]1C(=O)N 2230a_100000003125_200000210301 [1,0,0,1,0,0|2,0,0]=4 1645 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,0]=3 1646 B9R1.41 CN1CCC[C@H]1C(=O)[13CH3] 1458a_100009816429_200025704644 [1,0,0,1,0,0|2,0,0]=4 1647 B9R1.41 CN1CCSC1C(=O)O 269956a_100000035718_200000210301 [1,0,0,1,0,0|2,0,0]=4 1648 B9R1.41 CN1CSC[C@H]1C(=O)O 269956a_100000743924_200000210301 [1,0,0,1,0,0|2,0,0]=4 1649 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)N 2230a_100000003125_200025704644 [1,0,0,1,0,0|2,0,0]=4 1650 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,0]=3 1651 B9R1.41 [13CH3]N1CCSC1C(=O)O 269956a_100000035718_200025704644 [1,0,0,1,0,0|2,0,0]=4 1652 B9R1.41 [13CH3]N1CSC[C@H]1C(=O)O 269956a_100000743924_200025704644 [1,0,0,1,0,0|2,0,0]=4 1653 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,0]=3 1654 B9R1.96 O=C(O)C1CCN1CF 269956a_100000021838_100015361967 [1,0,0,1,0,0|2,0,0]=4 1655 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 1656 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 1657 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 1658 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [1,0,0,1,0,0|2,0,0]=4 1659 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,0,1,0,0|1,0,0]=3 1660 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,0,1,0,0|1,0,0]=3 1661 B9R1.119 CCC1(COC1)C(=O)C 1458a_100000139254_200000210301 [1,0,0,1,0,0|2,0,0]=4 1662 B9R1.119 CCC1(COC1)C(=O)[13CH3] 1458a_100000139254_200025704644 [1,0,0,1,0,0|2,0,0]=4 1663 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [1,0,0,1,0,0|1,0,0]=3 1664 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [1,0,0,1,0,0|1,0,0]=3 1665 B9R1.179 CCNC1(CC1)C(=O)N 2230a_100000687655_100000210202 [1,0,0,1,0,0|2,0,0]=4 1666 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [1,0,0,1,0,0|1,0,0]=3 1667 B9R1.179 CCOC1(CC1)C(=O)C 1458a_100011094191_200000210301 [1,0,0,1,0,0|2,0,0]=4 1668 B9R1.179 CCOC1(CC1)C(=O)N 34a_100121572206_100010760883 [1,0,0,1,0,0|2,0,0]=4 1669 B9R1.179 CCOC1(CC1)C(=O)[13CH3] 1458a_100011094191_200025704644 [1,0,0,1,0,0|2,0,0]=4 1670 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000086384_100000210202 [1,0,0,1,0,0|2,0,0]=4 1671 B9R1.179 CCSC1(CC1)C(=O)C 62a_100000210202_100000086384 [1,0,0,1,0,0|2,0,0]=4 1672 B9R1.179 CCSC1(CC1)C(=O)N 62a_100000210202_100010760883 [1,0,0,1,0,0|2,0,0]=4 1673 B9R1.179 CCSC1(CC1)C(=O)N 62a_100010760883_100000210202 [1,0,0,1,0,0|2,0,0]=4 1674 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [1,0,0,1,0,0|1,0,0]=3 1675 B9R1.179 COCC1(CC1)C(=O)N 34a_100000117830_200000210301 [1,0,0,1,0,0|2,0,0]=4 1676 B9R1.179 COCC1(CC1)C(=O)N 7a_100000117830_200000210301 [1,0,0,1,0,0|2,0,0]=4 1677 B9R1.179 O=C(O)C1(CC1)NCF 269956a_100000746478_100015361967 [1,0,0,1,0,0|2,0,0]=4 1678 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [1,0,0,1,0,0|1,0,0]=3 1679 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 34a_100000117830_200025704644 [1,0,0,1,0,0|2,0,0]=4 1680 B9R1.179 [13CH3]OCC1(CC1)C(=O)N 7a_100000117830_200025704644 [1,0,0,1,0,0|2,0,0]=4 1681 B9R1.2 CC1CCCC(C1)N[13CH3] 2230a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 1682 B9R1.2 CC1CCCC(C1)N[13CH3] 34a_100011194320_200025704644 [1,0,0,1,0,0|2,0,0]=4 1683 B9R1.2 CC1CCCC(C1)O[13CH3] 34a_100000211399_200025704644 [1,0,0,1,0,0|2,0,0]=4 1684 B9R1.2 CN1CCCC(C1)CO 2230a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 1685 B9R1.2 CN1CCCC(C1)CO 269982a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 1686 B9R1.2 CN1CCCC(C1)CO 34a_100000211344_200000210301 [1,0,0,1,0,0|1,0,1]=4 1687 B9R1.2 CNC1CCCC(C1)C 2230a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 1688 B9R1.2 CNC1CCCC(C1)C 270004a_106832991635_100000183594 [1,0,0,1,0,0|2,0,0]=4 1689 B9R1.2 CNC1CCCC(C1)C 34a_100011194320_200000210301 [1,0,0,1,0,0|2,0,0]=4 1690 B9R1.2 COC1CCCC(C1)C 34a_100000211399_200000210301 [1,0,0,1,0,0|2,0,0]=4 1691 B9R1.2 [13CH3]N1CCCC(C1)CO 2230a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 1692 B9R1.2 [13CH3]N1CCCC(C1)CO 269982a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 1693 B9R1.2 [13CH3]N1CCCC(C1)CO 34a_100000211344_200025704644 [1,0,0,1,0,0|1,0,1]=4 1694 B9R1.8 CCCN1CCCOC1 2230a_100000131196_100000210303 [1,0,0,1,0,0|1,0,1]=4 1695 B9R1.8 CCCN1CCCOC1 269982a_100000131196_100000210303 [1,0,0,1,0,0|1,0,1]=4 1696 B9R1.8 CCCN1CCCOC1 34a_100000131196_100000210303 [1,0,0,1,0,0|1,0,1]=4 1697 B9R1.8 CCNC1C=CCCC1 2230a_100015525214_100000751183 [1,0,0,1,0,0|2,0,0]=4 1698 B9R1.8 CCNC1CCCOC1 2230a_100000719290_100000210202 [1,0,0,1,0,0|1,0,1]=4 1699 B9R1.8 CCNC1CCCOC1 270004a_100015525214_100000753404 [1,0,0,1,0,0|1,0,1]=4 1700 B9R1.8 CCNC1CCCOC1 34a_100000719290_100000210202 [1,0,0,1,0,0|1,0,1]=4 1701 B9R1.8 CCOC1C=CCCC1 34a_100011215024_100000210202 [1,0,0,1,0,0|2,0,0]=4 1702 B9R1.8 CCOC1CCCOC1 34a_100000754041_100000210202 [1,0,0,1,0,0|1,0,1]=4 1703 B9R1.8 CCOC1CCCOC1 34a_100121572206_100000693364 [1,0,0,1,0,0|1,0,1]=4 1704 B9R1.8 CCSC1C=CCCC1 62a_100000210202_100000751183 [1,0,0,1,0,0|2,0,0]=4 1705 B9R1.8 CCSC1C=CCCC1 62a_100000751183_100000210202 [1,0,0,1,0,0|2,0,0]=4 1706 B9R1.8 CCSC1CCCOC1 62a_100000210202_100000693364 [1,0,0,1,0,0|1,0,1]=4 1707 B9R1.8 CNCC1CCCOC1 2230a_100000720124_200000210301 [1,0,0,1,0,0|1,0,1]=4 1708 B9R1.8 CNCC1CCCOC1 2230a_106832991635_100000741521 [1,0,0,1,0,0|1,0,1]=4 1709 B9R1.8 CNCC1CCCOC1 34a_100000720124_200000210301 [1,0,0,1,0,0|1,0,1]=4 1710 B9R1.8 CNCC1CCCOC1 34a_100102657272_100000741521 [1,0,0,1,0,0|1,0,1]=4 1711 B9R1.8 CNCC1CCCOC1 7a_106832991635_100000741521 [1,0,0,1,0,0|1,0,1]=4 1712 B9R1.8 COCC1CCCOC1 34a_100000741520_200000210301 [1,0,0,1,0,0|1,0,1]=4 1713 B9R1.8 COCC1CCCOC1 34a_100138415774_100000741521 [1,0,0,1,0,0|1,0,1]=4 1714 B9R1.8 CSCC1CCCOC1 62a_100000741521_200000210301 [1,0,0,1,0,0|1,0,1]=4 1715 B9R1.8 CSCC1CCCOC1 62a_200000210301_100000741521 [1,0,0,1,0,0|1,0,1]=4 1716 B9R1.8 [13CH3]NCC1CCCOC1 2230a_100000720124_200025704644 [1,0,0,1,0,0|1,0,1]=4 1717 B9R1.8 [13CH3]NCC1CCCOC1 34a_100000720124_200025704644 [1,0,0,1,0,0|1,0,1]=4 1718 B9R1.8 [13CH3]OCC1CCCOC1 34a_100000741520_200025704644 [1,0,0,1,0,0|1,0,1]=4 1719 B9R1.8 [13CH3]SCC1CCCOC1 62a_100000741521_200025704644 [1,0,0,1,0,0|1,0,1]=4 1720 B9R1.8 [13CH3]SCC1CCCOC1 62a_200025704644_100000741521 [1,0,0,1,0,0|1,0,1]=4 1721 B9R1.14 CCC1CCCC1NC 269862a_106832991636_100000749056 [1,0,0,1,0,0|2,0,0]=4 1722 B9R1.14 CCC1CCCC1NC 270004a_106832991635_100000749056 [1,0,0,1,0,0|2,0,0]=4 1723 B9R1.14 CCN1CCC[C@@H]1CO 2230a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 1724 B9R1.14 CCN1CCC[C@@H]1CO 269982a_100000745186_100000204670 [1,0,0,1,0,0|1,0,1]=4 1725 B9R1.14 CCN1CCC[C@@H]1CO 34a_100000745186_100000210202 [1,0,0,1,0,0|1,0,1]=4 1726 B9R1.89 CNC1CCCCCC1 2230a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 1727 B9R1.89 CNC1CCCCCC1 270004a_106832991635_100000210131 [1,0,0,1,0,0|2,0,0]=4 1728 B9R1.89 CNC1CCCCCC1 34a_100000210984_200000210301 [1,0,0,1,0,0|2,0,0]=4 1729 B9R1.89 CNC1CCCCCC1 34a_100102657272_100011217769 [1,0,0,1,0,0|2,0,0]=4 1730 B9R1.89 COC1CCCCCC1 34a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 1731 B9R1.89 COC1CCCCCC1 34a_100138415774_100011217769 [1,0,0,1,0,0|2,0,0]=4 1732 B9R1.89 COC1CCCCCC1 7a_100000210887_200000210301 [1,0,0,1,0,0|2,0,0]=4 1733 B9R1.89 CSC1CCCCCC1 62a_100011217769_200000210301 [1,0,0,1,0,0|2,0,0]=4 1734 B9R1.89 CSC1CCCCCC1 62a_200000210301_100011217769 [1,0,0,1,0,0|2,0,0]=4 1735 B9R1.89 [13CH3]NC1CCCCCC1 2230a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 1736 B9R1.89 [13CH3]NC1CCCCCC1 34a_100000210984_200025704644 [1,0,0,1,0,0|2,0,0]=4 1737 B9R1.89 [13CH3]OC1CCCCCC1 34a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 1738 B9R1.89 [13CH3]OC1CCCCCC1 7a_100000210887_200025704644 [1,0,0,1,0,0|2,0,0]=4 1739 B9R1.89 [13CH3]SC1CCCCCC1 62a_100011217769_200025704644 [1,0,0,1,0,0|2,0,0]=4 1740 B9R1.89 [13CH3]SC1CCCCCC1 62a_200025704644_100011217769 [1,0,0,1,0,0|2,0,0]=4 1741 B9R1.175 CCNC1(CCC1)CO 2230a_100016993734_100000210202 [1,0,0,1,0,0|1,0,1]=4 1742 B9R1.175 CNCC1(CCC1)CO 2230a_100000701034_200000210301 [1,0,0,1,0,0|1,0,1]=4 1743 B9R1.175 [13CH3]NCC1(CCC1)CO 2230a_100000701034_200025704644 [1,0,0,1,0,0|1,0,1]=4 1744 B11R1.57 CCC1CCCN1CC(=O)N 2230a_100000754278_100000747473 [0,0,0,1,0,1|2,0,0]=4 1745 B11R1.57 CCC1CCCN1CC(=O)N 269982a_100000754278_100000187820 [0,0,0,1,0,1|2,0,0]=4 1746 B11R1.57 CCC1CCCN1CC(=O)N 34a_100000754278_100000187820 [0,0,0,1,0,1|2,0,0]=4 1747 B11R1.57 CCC1CCCN1CC(=O)[O-] 269982a_100000754278_100020667443 [0,0,0,1,0,1|1,0,1]=4 1748 B11R1.57 CCC1CCCN1CC(=O)[O-] 34a_100000754278_100020667443 [0,0,0,1,0,1|1,0,1]=4 1749 B11R1.110 CCCN1CCCNC(=O)C1 2230a_100015190381_100000210303 [0,0,0,1,0,1|2,0,0]=4 1750 B11R1.157 CC(=O)CC1CCCC(C1)C 1458a_100000748788_200000210301 [0,0,0,1,0,1|1,0,0]=3 1751 B11R1.157 CC(=O)CC1CCCN(C1)C 1458a_100000070787_100015183302 [0,0,0,1,0,1|2,0,0]=4 1752 B11R1.157 CC(=O)NC1CCCC(C1)C 11a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 1753 B11R1.157 CC(=O)NC1CCCC(C1)C 1626a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 1754 B11R1.157 CC(=O)NC1CCCC(C1)C 240690a_100011194320_100015343762 [0,0,0,1,0,1|1,0,0]=3 1755 B11R1.157 CC(=O)NC1CCCC(C1)C 527a_100011194320_100103153847 [0,0,0,1,0,1|1,0,0]=3 1756 B11R1.157 CC(=O)NC1CCCC(C1)O 1626a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 1757 B11R1.157 CC(=O)NC1CCCC(C1)O 240690a_100015190357_100015343762 [0,0,0,1,0,1|2,0,0]=4 1758 B11R1.157 CC(=O)NC1CCCN(C1)C 2230a_106657272119_200000210301 [0,0,0,1,0,1|2,0,0]=4 1759 B11R1.157 CC(=O)NC1CCCN(C1)C 269982a_106657272119_200000210301 [0,0,0,1,0,1|2,0,0]=4 1760 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 2230a_106657272119_200025704644 [0,0,0,1,0,1|2,0,0]=4 1761 B11R1.157 CC(=O)NC1CCCN(C1)[13CH3] 269982a_106657272119_200025704644 [0,0,0,1,0,1|2,0,0]=4 1762 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 240690a_100016992120_100015343762 [0,0,0,1,0,1|2,0,0]=4 1763 B11R1.157 CC(=O)N[C@H]1CCCN(C1)C 527a_100016992120_100103153847 [0,0,0,1,0,1|2,0,0]=4 1764 B11R1.157 CC1CCCC(C1)CC(=O)[13CH3] 1458a_100000748788_200025704644 [0,0,0,1,0,1|1,0,0]=3 1765 B11R1.157 CN1CCCC(C1)CC(=O)O 269956a_100015207179_200000210301 [0,0,0,1,0,1|1,0,0]=3 1766 B11R1.157 CN1CCOC(C1)CC(=O)O 269956a_100015183369_200000210301 [0,0,0,1,0,1|2,0,0]=4 1767 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 2230a_100000717927_100000747473 [0,0,0,1,0,1|2,0,0]=4 1768 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 269982a_100000717927_100000187820 [0,0,0,1,0,1|2,0,0]=4 1769 B11R1.157 C[C@H]1CCCN(C1)CC(=O)N 34a_100000717927_100000187820 [0,0,0,1,0,1|2,0,0]=4 1770 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 269982a_100000717927_100020667443 [0,0,0,1,0,1|1,0,1]=4 1771 B11R1.157 C[C@H]1CCCN(C1)CC(=O)[O-] 34a_100000717927_100020667443 [0,0,0,1,0,1|1,0,1]=4 1772 B11R1.157 [13CH3]N1CCCC(C1)CC(=O)O 269956a_100015207179_200025704644 [0,0,0,1,0,1|1,0,0]=3 1773 B11R1.157 [13CH3]N1CCOC(C1)CC(=O)O 269956a_100015183369_200025704644 [0,0,0,1,0,1|2,0,0]=4 1774 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 34a_100012242843_200025704644 [0,0,0,1,0,1|2,0,0]=4 1775 B11R1.193 CC(=O)N1CCC[C@@H]1CO[13CH3] 7a_100012242843_200025704644 [0,0,0,1,0,1|2,0,0]=4 1776 B11R1.193 CCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210303 [0,0,0,1,0,1|2,0,0]=4 1777 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,1|1,0,0]=3 1778 B11R1.193 CCCN1CCSC1C(=O)O 269956a_100000035718_100000210207 [0,0,0,1,0,1|2,0,0]=4 1779 B11R1.193 CCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210207 [0,0,0,1,0,1|2,0,0]=4 1780 B11R1.193 COCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000766300 [0,0,0,1,0,1|2,0,0]=4 1781 B11R1.193 COC[C@@H]1CCCN1C(=O)C 11a_100020646714_100015343762 [0,0,0,1,0,1|2,0,0]=4 1782 B11R1.193 COC[C@@H]1CCCN1C(=O)C 1626a_100020646714_100015343762 [0,0,0,1,0,1|2,0,0]=4 1783 B11R1.193 COC[C@@H]1CCCN1C(=O)C 240690a_100020646714_100015343762 [0,0,0,1,0,1|2,0,0]=4 1784 B11R1.193 COC[C@@H]1CCCN1C(=O)N 34a_100012022907_200000210301 [0,0,0,1,0,1|2,0,0]=4 1785 B11R1.193 COC[C@@H]1CCCN1C(=O)N 7a_100012022907_200000210301 [0,0,0,1,0,1|2,0,0]=4 1786 B11R1.193 COC[C@H]1CCCN1C(=O)C 34a_100012242843_200000210301 [0,0,0,1,0,1|2,0,0]=4 1787 B11R1.193 COC[C@H]1CCCN1C(=O)C 7a_100012242843_200000210301 [0,0,0,1,0,1|2,0,0]=4 1788 B11R1.193 CSCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011218213 [0,0,0,1,0,1|2,0,0]=4 1789 B11R1.193 O=C(O)[C@@H]1CCCN1CCF 269956a_100000743916_100011217306 [0,0,0,1,0,1|2,0,0]=4 1790 B11R1.193 O=C(O)[C@@H]1CCCN1CCO 269956a_100000743916_100000211926 [0,0,0,1,0,1|2,0,0]=4 1791 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 34a_100012022907_200025704644 [0,0,0,1,0,1|2,0,0]=4 1792 B11R1.193 [13CH3]OC[C@@H]1CCCN1C(=O)N 7a_100012022907_200025704644 [0,0,0,1,0,1|2,0,0]=4 1793 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,1|1,0,1]=4 1794 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000070787_200000696569 [0,0,0,1,0,1|1,0,0]=3 1795 B11R1.742 CC(=O)CC1CCCCCC1 1458a_100000685095_200000210301 [0,0,0,1,0,1|1,0,0]=3 1796 B11R1.742 CC(=O)CN1CCCCCC1 1458a_100000740298_200000210301 [0,0,0,1,0,1|2,0,0]=4 1797 B11R1.742 CC(=O)NC1CCCCCC1 11a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1798 B11R1.742 CC(=O)NC1CCCCCC1 1626a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1799 B11R1.742 CC(=O)NC1CCCCCC1 240690a_100000210984_100015343762 [0,0,0,1,0,1|1,0,0]=3 1800 B11R1.742 CC(=O)NC1CCCCCC1 527a_100000210984_100103153847 [0,0,0,1,0,1|1,0,0]=3 1801 B11R1.742 NC(=O)CN1CCCCCC1 2230a_100000185865_100000747473 [0,0,0,1,0,1|2,0,0]=4 1802 B11R1.742 NC(=O)CN1CCCCCC1 269982a_100000185865_100000187820 [0,0,0,1,0,1|2,0,0]=4 1803 B11R1.742 NC(=O)CN1CCCCCC1 34a_100000185865_100000187820 [0,0,0,1,0,1|2,0,0]=4 1804 B11R1.742 O=C([O-])CN1CCCCCC1 269982a_100000185865_100020667443 [0,0,0,1,0,1|1,0,1]=4 1805 B11R1.742 O=C([O-])CN1CCCCCC1 34a_100000185865_100020667443 [0,0,0,1,0,1|1,0,1]=4 1806 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,1|1,0,1]=4 1807 B11R1.742 [13CH3]C(=O)CC1CCCCCC1 1458a_100000685095_200025704644 [0,0,0,1,0,1|1,0,0]=3 1808 B11R1.742 [13CH3]C(=O)CN1CCCCCC1 1458a_100000740298_200025704644 [0,0,0,1,0,1|2,0,0]=4 1809 B11R1.804 CCCN(CC(=O)N)C1CC1 2230a_100000765834_100000747473 [0,0,0,1,0,1|2,0,0]=4 1810 B11R1.804 CCCN(CC(=O)N)C1CC1 269982a_100000765834_100000187820 [0,0,0,1,0,1|2,0,0]=4 1811 B11R1.804 CCCN(CC(=O)[O-])C1CC1 269982a_100000765834_100020667443 [0,0,0,1,0,1|1,0,1]=4 1812 B11R1.804 O=C(O)CN(CCO)C1CC1 269956a_100000747938_100000211595 [0,0,0,1,0,1|2,0,0]=4 1813 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 2230a_100020587027_100000210202 [0,1,0,1,0,0|2,0,0]=4 1814 B11R1.49 CCN1C[C@@H](C[C@H]1C(=O)N)O 269982a_100020587027_100000204670 [0,1,0,1,0,0|2,0,0]=4 1815 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 2230a_100020614896_100000210202 [0,1,0,1,0,0|2,0,0]=4 1816 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 269982a_100020614896_100000204670 [0,1,0,1,0,0|2,0,0]=4 1817 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)N)F 34a_100020614896_100000210202 [0,1,0,1,0,0|2,0,0]=4 1818 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,1,0,1,0,0|1,0,0]=3 1819 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,1,0,1,0,0|1,0,0]=3 1820 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)F 269956a_100016993324_100015361967 [0,1,0,1,0,0|2,0,0]=4 1821 B11R1.49 O=C(O)[C@@H]1C[C@@H](CN1CF)O 269956a_100000750407_100015361967 [0,1,0,1,0,0|2,0,0]=4 1822 B11R1.74 CC(=O)N1CC(CC(C1)C)C 11a_100000210448_100015343762 [0,1,0,1,0,0|2,0,0]=4 1823 B11R1.74 CC(=O)N1CC(CC(C1)C)C 240690a_100000210448_100015343762 [0,1,0,1,0,0|2,0,0]=4 1824 B11R1.74 CC(=O)N1CC(CC(C1)C)C 527a_100000210448_100103153847 [0,1,0,1,0,0|2,0,0]=4 1825 B11R1.74 CC(=O)N1CC(OC(C1)C)C 11a_100000210032_100015343762 [0,1,0,1,0,0|2,0,0]=4 1826 B11R1.74 CC(=O)N1CC(OC(C1)C)C 1626a_100000210032_100015343762 [0,1,0,1,0,0|2,0,0]=4 1827 B11R1.74 CC(=O)N1CC(OC(C1)C)C 240690a_100000210032_100015343762 [0,1,0,1,0,0|2,0,0]=4 1828 B11R1.74 CC(=O)N1CC(OC(C1)C)C 527a_100000210032_100103153847 [0,1,0,1,0,0|2,0,0]=4 1829 B11R1.86 CC(C)NC1CCCCC1=O 34a_100138425928_100000754470 [0,1,0,1,0,0|2,0,0]=4 1830 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 1831 B11R1.86 CC(C)NC1CCCNC1=O 2230a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 1832 B11R1.86 CC(C)NC1CCCNC1=O 34a_100000747585_100000210206 [0,1,0,1,0,0|2,0,0]=4 1833 B11R1.86 CC(C)NC1CCCNC1=O 34a_100138425928_100000687798 [0,1,0,1,0,0|2,0,0]=4 1834 B11R1.86 CC(C)OC1CCCCC1=O 34a_100000212225_100000754470 [0,1,0,1,0,0|2,0,0]=4 1835 B11R1.86 CC(C)OC1CCCCC1=O 34a_100011214950_100000210206 [0,1,0,1,0,0|2,0,0]=4 1836 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000073722_100000210206 [0,1,0,1,0,0|2,0,0]=4 1837 B11R1.86 CC(C)OC1CCCNC1=O 34a_100000212225_100000687798 [0,1,0,1,0,0|2,0,0]=4 1838 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000204591_100000210206 [0,1,0,1,0,0|2,0,0]=4 1839 B11R1.86 CC(C)SC1CCCCC1=O 62a_100000210206_100000204591 [0,1,0,1,0,0|2,0,0]=4 1840 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000210206_100000687798 [0,1,0,1,0,0|2,0,0]=4 1841 B11R1.86 CC(C)SC1CCCNC1=O 62a_100000687798_100000210206 [0,1,0,1,0,0|2,0,0]=4 1842 B11R1.178 CC(=O)N1CCCC1C(C)C 11a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 1843 B11R1.178 CC(=O)N1CCCC1C(C)C 1626a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 1844 B11R1.178 CC(=O)N1CCCC1C(C)C 240690a_100000762757_100015343762 [0,1,0,1,0,0|2,0,0]=4 1845 B11R1.178 CC(=O)N1CCCC1C(C)C 527a_100000762757_100103153847 [0,1,0,1,0,0|2,0,0]=4 1846 B11R1.178 CC(=O)[C@H]1CCCN1C(C)C 1458a_100009927065_200000210301 [0,1,0,1,0,0|2,0,0]=4 1847 B11R1.178 CC(C)N1CCC[C@@H]1C(=O)[13CH3] 1458a_100009927065_200025704644 [0,1,0,1,0,0|2,0,0]=4 1848 B11R1.178 CC(C)N1CCC[C@H]1C(=O)N 2230a_100000003125_100000210206 [0,1,0,1,0,0|2,0,0]=4 1849 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,1,0,1,0,0|1,0,0]=3 1850 B11R1.178 CC(C)N1CCSC1C(=O)O 269956a_100000035718_100000210206 [0,1,0,1,0,0|2,0,0]=4 1851 B11R1.178 CC(C)N1CSC[C@H]1C(=O)O 269956a_100000743924_100000210206 [0,1,0,1,0,0|2,0,0]=4 1852 B11R1.497 CC(=O)N1CCCCC(C1)O 240690a_100025706797_100015343762 [0,1,0,1,0,0|2,0,0]=4 1853 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,1,0,1,0,0|1,0,0]=3 1854 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,1,0,1,0,0|1,0,0]=3 1855 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,1,0,1,0,0|1,0,0]=3 1856 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,1,0,1,0,0|1,0,0]=3 1857 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,1,0,1,0,0|1,0,0]=3 1858 B11R1.730 CC(=O)C1CCOC(C1)(C)C 1458a_100000070787_100010191092 [0,1,0,1,0,0|2,0,0]=4 1859 B11R1.730 CC(=O)N1CCCC(C1)(C)C 11a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 1860 B11R1.730 CC(=O)N1CCCC(C1)(C)C 1626a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 1861 B11R1.730 CC(=O)N1CCCC(C1)(C)C 240690a_100000716857_100015343762 [0,1,0,1,0,0|2,0,0]=4 1862 B11R1.730 CC(=O)N1CCCC(C1)(C)C 527a_100000716857_100103153847 [0,1,0,1,0,0|2,0,0]=4 1863 B11R1.730 CC(=O)N1CCCC(C1)(C)O 11a_100000695535_100015343762 [0,1,0,1,0,0|2,0,0]=4 1864 B11R1.730 CC(=O)N1CCCC(C1)(C)O 240690a_100000695535_100015343762 [0,1,0,1,0,0|2,0,0]=4 1865 B11R1.730 CC(=O)N1CCCC(C1)(C)O 527a_100000695535_100103153847 [0,1,0,1,0,0|2,0,0]=4 1866 B11R1.806 CCCC(OC1CC1)C(=O)N 34a_100011626294_100000211595 [0,1,0,1,0,0|1,0,0]=3 1867 B11R1.806 CCCN(CC1CC1)C(=O)C 11a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 1868 B11R1.806 CCCN(CC1CC1)C(=O)C 1626a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 1869 B11R1.806 CCCN(CC1CC1)C(=O)C 240690a_100000210729_100015343762 [0,1,0,1,0,0|2,0,0]=4 1870 B11R1.806 CCCN(CC1CC1)C(=O)C 527a_100000210729_100103153847 [0,1,0,1,0,0|2,0,0]=4 1871 B11R1.806 CCC[C@H](NC1CC1)C(=O)N 34a_100000729256_100000211595 [0,1,0,1,0,0|1,0,0]=3 1872 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,1,0,1,0,0|0,0,0]=2 1873 B11R1.806 COC[C@@H](NC1CC1)C(=O)O 269956a_100011998655_100000211595 [0,1,0,1,0,0|1,0,0]=3 1874 B11R1.806 CSC[C@H](NC1CC1)C(=O)O 269956a_100011421858_100000211595 [0,1,0,1,0,0|1,0,0]=3 1875 B11R1.806 C[Se]C[C@H](NC1CC1)C(=O)O 269956a_100015254316_100000211595 [0,1,0,1,0,0|1,0,0]=3 1876 B11R1.925 CC(=O)N(CC(C)C)C1CC1 11a_100000737031_100015343762 [0,1,0,1,0,0|2,0,0]=4 1877 B11R1.925 CC(=O)N(CC(C)C)C1CC1 1626a_100000737031_100015343762 [0,1,0,1,0,0|2,0,0]=4 1878 B11R1.925 CC(=O)N(CC(C)C)C1CC1 240690a_100000737031_100015343762 [0,1,0,1,0,0|2,0,0]=4 1879 B11R1.925 CC(=O)N(CC(C)C)C1CC1 527a_100000737031_100103153847 [0,1,0,1,0,0|2,0,0]=4 1880 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [0,1,0,1,0,0|1,0,0]=3 1881 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,1,0,1,0,0|2,0,0]=4 1882 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,1,0,1,0,0|2,0,0]=4 1883 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,1,0,1,0,0|2,0,0]=4 1884 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,1,0,1,0,0|2,0,0]=4 1885 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,1,0,1,0,0|2,0,0]=4 1886 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,1,0,1,0,0|2,0,0]=4 1887 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,1,0,1,0,0|2,0,0]=4 1888 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,1,0,1,0,0|2,0,0]=4 1889 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,1,0,1,0,0|2,0,0]=4 1890 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,0]=3 1891 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,1,0,1,0,0|1,0,0]=3 1892 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,1,0,1,0,0|1,0,0]=3 1893 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,1,0,1,0,0|1,0,0]=3 1894 B11R1.53 CC[C@H]1COCCN1C(=O)C 11a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 1895 B11R1.53 CC[C@H]1COCCN1C(=O)C 1626a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 1896 B11R1.53 CC[C@H]1COCCN1C(=O)C 240690a_100016988097_100015343762 [0,1,0,1,0,0|2,0,0]=4 1897 B11R1.53 CC[C@H]1COCCN1C(=O)C 527a_100016988097_100103153847 [0,1,0,1,0,0|2,0,0]=4 1898 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,1,0,1,0,0|1,0,0]=3 1899 B11R1.53 O=C(O)C1CCSCN1CF 269956a_100015185162_100015361967 [0,1,0,1,0,0|2,0,0]=4 1900 B11R1.53 O=C(O)C1CSCCN1CF 269956a_100011346106_100015361967 [0,1,0,1,0,0|2,0,0]=4 1901 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,1,0,1,0,0|2,0,0]=4 1902 B11R1.53 O=C(O)[C@H]1COCCN1CF 269956a_100016993156_100015361967 [0,1,0,1,0,0|2,0,0]=4 1903 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,1,0,1,0,0|1,0,0]=3 1904 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 1905 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,1,0,1,0,0|2,0,0]=4 1906 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|1,0,0]=3 1907 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,1,0,1,0,0|2,0,0]=4 1908 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|1,0,0]=3 1909 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,0]=3 1910 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,0]=3 1911 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,1,0,1,0,0|2,0,0]=4 1912 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,1,0,1,0,0|2,0,0]=4 1913 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,1,0,1,0,0|1,0,0]=3 1914 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,1,0,1,0,0|1,0,0]=3 1915 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|1,0,1]=4 1916 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|1,0,1]=4 1917 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|1,0,1]=4 1918 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,1,0,1,0,0|2,0,0]=4 1919 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 1920 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,1,0,1,0,0|2,0,0]=4 1921 B11R1.225 CC1CC(C(=O)O1)C(=O)CO 1458a_100000210174_200000216747 [0,1,0,1,0,0|1,0,1]=4 1922 B11R1.225 CCC(=O)C1CC(OC1=O)C 1458a_100000210414_200000216747 [0,1,0,1,0,0|0,0,1]=3 1923 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,1,0,1,0,0|1,0,0]=3 1924 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,1,0,1,0,0|1,0,0]=3 1925 B11R1.527 C=CC(=O)N(CCC)C1CC1 1626a_100000765834_100000185746 [0,1,0,1,0,0|2,0,0]=4 1926 B11R1.527 C=CC(=O)N(CCC)C1CC1 240690a_100000765834_200121576911 [0,1,0,1,0,0|2,0,0]=4 1927 B11R1.527 CCCN(C(=O)CC)C1CC1 11a_100000765834_100000210414 [0,1,0,1,0,0|2,0,0]=4 1928 B11R1.527 CCCN(C(=O)CC)C1CC1 1626a_100000765834_100000210414 [0,1,0,1,0,0|2,0,0]=4 1929 B11R1.527 CCCN(C(=O)CC)C1CC1 240690a_100000765834_100000210414 [0,1,0,1,0,0|2,0,0]=4 1930 B11R1.527 CCCN(C(=O)CC)C1CC1 527a_100000765834_100000210414 [0,1,0,1,0,0|2,0,0]=4 1931 B11R1.527 CCCN(C(=O)CO)C1CC1 240690a_100000765834_100000210174 [0,1,0,1,0,0|1,0,0]=3 1932 B11R1.527 CCCN(C(=O)CO)C1CC1 527a_100000765834_100000210174 [0,1,0,1,0,0|1,0,0]=3 1933 B11R1.527 CCCN(C(=O)NC)C1CC1 2708a_100102657272_100000765834 [0,1,0,1,0,0|2,0,0]=4 1934 B11R1.527 CCCN(C(=O)NC)C1CC1 273464a_100102657272_100000765834 [0,1,0,1,0,0|2,0,0]=4 1935 B11R1.527 CCNC(C(=O)OC)C1CC1 2230a_100015525214_100016157471 [0,1,0,1,0,0|1,0,0]=3 1936 B11R1.527 CCOC(C(=O)OC)C1CC1 34a_100121572206_100016157471 [0,1,0,1,0,0|1,0,0]=3 1937 B11R1.527 CCSC(C(=O)OC)C1CC1 62a_100000210202_100016157471 [0,1,0,1,0,0|1,0,0]=3 1938 B11R1.527 CCSC(C(=O)OC)C1CC1 62a_100016157471_100000210202 [0,1,0,1,0,0|1,0,0]=3 1939 B11R1.527 COC(=O)C(SCF)C1CC1 62a_100015361967_100016157471 [0,1,0,1,0,0|2,0,0]=4 1940 B11R1.527 COC(=O)C(SCF)C1CC1 62a_100016157471_100015361967 [0,1,0,1,0,0|2,0,0]=4 1941 B11R1.527 O=C(CO)N(CCO)C1CC1 240690a_100000738766_100000210174 [0,1,0,1,0,0|2,0,0]=4 1942 B11R1.527 O=C(CO)N(CCO)C1CC1 527a_100000738766_100000210174 [0,1,0,1,0,0|2,0,0]=4 1943 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 1944 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 1945 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,1,0,1,0,0|2,0,0]=4 1946 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 1947 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 1948 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,1,0,1,0,0|2,0,0]=4 1949 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,1,0,1,0,0|1,0,0]=3 1950 B11R1.760 O=C(O)C(NCF)C1CCC1 269956a_100000765838_100015361967 [0,1,0,1,0,0|2,0,0]=4 1951 B11R1.879 CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210202 [0,1,0,1,0,0|1,0,1]=4 1952 B11R1.5 CCNC1CCCCNC1=O 2230a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 1953 B11R1.5 CCNC1CCCCNC1=O 2230a_100015525214_100000735217 [0,1,0,1,0,0|2,0,0]=4 1954 B11R1.5 CCNC1CCCCNC1=O 34a_100000698827_100000210202 [0,1,0,1,0,0|2,0,0]=4 1955 B11R1.5 CCSC1CCCCCC1=O 62a_100000210202_100000243696 [0,1,0,1,0,0|2,0,0]=4 1956 B11R1.5 CCSC1CCCCCC1=O 62a_100000243696_100000210202 [0,1,0,1,0,0|2,0,0]=4 1957 B11R1.5 CCSC1CCCCNC1=O 62a_100000210202_100000735217 [0,1,0,1,0,0|2,0,0]=4 1958 B11R1.5 CCSC1CCCCNC1=O 62a_100000735217_100000210202 [0,1,0,1,0,0|2,0,0]=4 1959 B11R1.23 C=CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_200121576911 [0,1,0,1,0,0|2,0,0]=4 1960 B11R1.23 CC1CCCC(C1)C(=O)CF 1458a_100011215569_100015361967 [0,1,0,1,0,0|1,0,0]=3 1961 B11R1.23 CC1CN(CCO1)C(=O)CO 240690a_100000729577_100000210174 [0,1,0,1,0,0|2,0,0]=4 1962 B11R1.23 CC1CN(CCO1)C(=O)CO 527a_100000729577_100000210174 [0,1,0,1,0,0|2,0,0]=4 1963 B11R1.23 CCC(=O)C1CCCC(C1)C 1458a_100011215569_100000210202 [0,1,0,1,0,0|1,0,0]=3 1964 B11R1.23 CCC(=O)C1CCCC(C1)O 1458a_100000707227_100000210202 [0,1,0,1,0,0|2,0,0]=4 1965 B11R1.23 CCC(=O)C1CCCN(C1)C 1458a_100015257587_100000210202 [0,1,0,1,0,0|2,0,0]=4 1966 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 1967 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 1968 B11R1.23 CCC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100000210414 [0,1,0,1,0,0|2,0,0]=4 1969 B11R1.23 CN1CCCC(C1)C(=O)CF 1458a_100015257587_100015361967 [0,1,0,1,0,0|2,0,0]=4 1970 B11R1.23 CNC(=O)C1CCCC(C1)C 11a_106832991635_100011215569 [0,1,0,1,0,0|1,0,0]=3 1971 B11R1.23 CNC(=O)C1CCCC(C1)C 1626a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 1972 B11R1.23 CNC(=O)C1CCCC(C1)C 240690a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 1973 B11R1.23 CNC(=O)C1CCCC(C1)C 527a_100102657272_100011215569 [0,1,0,1,0,0|1,0,0]=3 1974 B11R1.23 CNC(=O)C1CCCC(C1)O 1626a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 1975 B11R1.23 CNC(=O)C1CCCC(C1)O 240690a_100102657272_100000707227 [0,1,0,1,0,0|2,0,0]=4 1976 B11R1.23 CNC(=O)C1CCCN(C1)C 11a_106832991635_100015257587 [0,1,0,1,0,0|2,0,0]=4 1977 B11R1.23 CNC(=O)C1CCCN(C1)C 2230a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 1978 B11R1.23 CNC(=O)C1CCCN(C1)C 240690a_100102657272_100015257587 [0,1,0,1,0,0|2,0,0]=4 1979 B11R1.23 CNC(=O)C1CCCN(C1)C 269982a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 1980 B11R1.23 CNC(=O)C1CCCN(C1)C 34a_100000754358_200000210301 [0,1,0,1,0,0|2,0,0]=4 1981 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 2230a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 1982 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 269982a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 1983 B11R1.23 CNC(=O)C1CCCN(C1)[13CH3] 34a_100000754358_200025704644 [0,1,0,1,0,0|2,0,0]=4 1984 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 2708a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 1985 B11R1.23 CNC(=O)N1CCC[C@@H](C1)C 273464a_100102657272_100000717927 [0,1,0,1,0,0|2,0,0]=4 1986 B11R1.23 COC(=O)C1CN(CCO1)C 2230a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1987 B11R1.23 COC(=O)C1CN(CCO1)C 269982a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1988 B11R1.23 COC(=O)C1CN(CCO1)C 34a_100000751517_200000210301 [0,1,0,1,0,0|2,0,0]=4 1989 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 2230a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1990 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 269982a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1991 B11R1.23 COC(=O)C1CN(CCO1)[13CH3] 34a_100000751517_200025704644 [0,1,0,1,0,0|2,0,0]=4 1992 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 2230a_100016988859_200000210301 [0,1,0,1,0,0|1,0,0]=3 1993 B11R1.23 COC(=O)[C@H]1CCCN(C1)C 269982a_100016988859_200000210301 [0,1,0,1,0,0|1,0,0]=3 1994 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 2230a_100016988859_200025704644 [0,1,0,1,0,0|1,0,0]=3 1995 B11R1.23 COC(=O)[C@H]1CCCN(C1)[13CH3] 269982a_100016988859_200025704644 [0,1,0,1,0,0|1,0,0]=3 1996 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,1,0,1,0,0|1,0,0]=3 1997 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,1,0,1,0,0|1,0,0]=3 1998 B11R1.23 O=C(CF)C1CCCC(C1)O 1458a_100000707227_100015361967 [0,1,0,1,0,0|2,0,0]=4 1999 B11R1.23 O=C(CO)N1CCCC(C1)F 240690a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 2000 B11R1.23 O=C(CO)N1CCCC(C1)F 527a_100000697950_100000210174 [0,1,0,1,0,0|2,0,0]=4 2001 B11R1.23 O=C(CO)N1CCCC(C1)O 240690a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 2002 B11R1.23 O=C(CO)N1CCCC(C1)O 527a_100000211013_100000210174 [0,1,0,1,0,0|2,0,0]=4 2003 B11R1.41 CCCC1CCCCC1OC 34a_100011217265_200000210301 [0,1,0,1,0,0|1,0,1]=4 2004 B11R1.41 CCCC1CCCCC1OC 7a_100011217265_200000210301 [0,1,0,1,0,0|1,0,1]=4 2005 B11R1.41 CCCC1CCCCC1O[13CH3] 34a_100011217265_200025704644 [0,1,0,1,0,0|1,0,1]=4 2006 B11R1.41 CCCC1CCCCC1O[13CH3] 7a_100011217265_200025704644 [0,1,0,1,0,0|1,0,1]=4 2007 B11R1.59 C=CC(=O)N1CCCC1CC 1626a_100000754278_100000185746 [0,1,0,1,0,0|2,0,0]=4 2008 B11R1.59 C=CC(=O)N1CCCC1CC 240690a_100000754278_200121576911 [0,1,0,1,0,0|2,0,0]=4 2009 B11R1.59 CCC(=O)C1CCCN1CC 1458a_106256033941_100000210202 [0,1,0,1,0,0|2,0,0]=4 2010 B11R1.59 CCC(=O)N1CCCC1CC 11a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 2011 B11R1.59 CCC(=O)N1CCCC1CC 1626a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 2012 B11R1.59 CCC(=O)N1CCCC1CC 240690a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 2013 B11R1.59 CCC(=O)N1CCCC1CC 527a_100000754278_100000210414 [0,1,0,1,0,0|2,0,0]=4 2014 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 2015 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,0]=3 2016 B11R1.59 CCC1CCCN1C(=O)NC 2708a_100102657272_100000754278 [0,1,0,1,0,0|2,0,0]=4 2017 B11R1.59 CCC1CCCN1C(=O)NC 273464a_100102657272_100000754278 [0,1,0,1,0,0|2,0,0]=4 2018 B11R1.59 CCN1CCCC1C(=O)CF 1458a_106256033941_100015361967 [0,1,0,1,0,0|2,0,0]=4 2019 B11R1.59 CCN1CCCC1C(=O)NC 240690a_100102657272_106256033941 [0,1,0,1,0,0|2,0,0]=4 2020 B11R1.59 CCN1CCCC1C(=O)NC 527a_100102657272_106256033941 [0,1,0,1,0,0|2,0,0]=4 2021 B11R1.59 CCN1CCC[C@H]1C(=O)NC 2230a_100015185040_100000210202 [0,1,0,1,0,0|2,0,0]=4 2022 B11R1.59 CCN1CCC[C@H]1C(=O)NC 269982a_100015185040_100000204670 [0,1,0,1,0,0|2,0,0]=4 2023 B11R1.59 CCN1CCC[C@H]1C(=O)NC 34a_100015185040_100000210202 [0,1,0,1,0,0|2,0,0]=4 2024 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,1,0,1,0,0|1,0,0]=3 2025 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,1,0,1,0,0|1,0,0]=3 2026 B11R1.59 CCN1CCSC1C(=O)OC 2230a_100015296106_100000210202 [0,1,0,1,0,0|2,0,0]=4 2027 B11R1.59 CCN1CCSC1C(=O)OC 269982a_100015296106_100000204670 [0,1,0,1,0,0|2,0,0]=4 2028 B11R1.59 CCN1CSCC1C(=O)OC 269982a_200000724679_100000204670 [0,1,0,1,0,0|2,0,0]=4 2029 B11R1.59 COC(=O)C1CCCC1OC 34a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 2030 B11R1.59 COC(=O)C1CCCC1OC 7a_200000081814_200000210301 [0,1,0,1,0,0|1,0,0]=3 2031 B11R1.59 COC(=O)C1CCCC1O[13CH3] 34a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 2032 B11R1.59 COC(=O)C1CCCC1O[13CH3] 7a_200000081814_200025704644 [0,1,0,1,0,0|1,0,0]=3 2033 B11R1.59 COC(=O)[C@@H]1CCCN1CF 269982a_100000752040_100015361967 [0,1,0,1,0,0|2,0,0]=4 2034 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 240690a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 2035 B11R1.59 O=C(CO)N1CCC[C@@H]1CO 527a_100000745186_100000210174 [0,1,0,1,0,0|2,0,0]=4 2036 B11R1.226 C[C@@H]1CN(C[C@@H]1O)C(=O)CO 240690a_200015306588_100000210174 [0,1,0,1,0,0|2,0,0]=4 2037 B11R1.226 C[C@@H]1CN(C[C@@H]1O)C(=O)CO 527a_200015306588_100000210174 [0,1,0,1,0,0|2,0,0]=4 2038 B11R1.768 CCC(=O)C1(CCC1)COC 1458a_100000728662_100000210202 [0,1,0,1,0,0|2,0,0]=4 2039 B11R1.768 CCOC1(CCC1)C(=O)OC 34a_100000702008_100000210202 [0,1,0,1,0,0|1,0,0]=3 2040 B11R1.768 CCOC1(CCC1)C(=O)OC 34a_100121572206_100000694912 [0,1,0,1,0,0|1,0,0]=3 2041 B11R1.768 CCOC1(CCC1)C(=O)OC 7a_100000702008_100000210202 [0,1,0,1,0,0|1,0,0]=3 2042 B11R1.768 CCSC1(CCC1)C(=O)OC 62a_100000210202_100000694912 [0,1,0,1,0,0|1,0,0]=3 2043 B11R1.768 CCSC1(CCC1)C(=O)OC 62a_100000694912_100000210202 [0,1,0,1,0,0|1,0,0]=3 2044 B11R1.768 CNC(=O)C1(CCC1)COC 11a_106832991635_100000728662 [0,1,0,1,0,0|2,0,0]=4 2045 B11R1.768 CNC(=O)C1(CCC1)COC 1626a_100102657272_100000728662 [0,1,0,1,0,0|2,0,0]=4 2046 B11R1.768 CNC(=O)C1(CCC1)COC 240690a_100102657272_100000728662 [0,1,0,1,0,0|2,0,0]=4 2047 B11R1.768 CNC(=O)C1(CCC1)COC 527a_100102657272_100000728662 [0,1,0,1,0,0|2,0,0]=4 2048 B11R1.768 COC(=O)C1(CCC1)OCF 34a_100000702008_100015361967 [0,1,0,1,0,0|2,0,0]=4 2049 B11R1.768 COC(=O)C1(CCC1)OCF 7a_100000702008_100015361967 [0,1,0,1,0,0|2,0,0]=4 2050 B11R1.768 COC(=O)C1(CCC1)SCF 62a_100000694912_100015361967 [0,1,0,1,0,0|2,0,0]=4 2051 B11R1.768 COC(=O)C1(CCC1)SCF 62a_100015361967_100000694912 [0,1,0,1,0,0|2,0,0]=4 2052 B11R1.768 COCC1(CCC1)C(=O)CF 1458a_100000728662_100015361967 [0,1,0,1,0,0|2,0,0]=4 2053 B11R1.852 C#CC(=O)C1CCCCCC1 1458a_100000211873_100011217769 [0,1,0,1,0,0|1,0,0]=3 2054 B11R1.852 C=CC(=O)C1CCCCCC1 1458a_100000185746_100011217769 [0,1,0,1,0,0|1,0,0]=3 2055 B11R1.852 C=CC(=O)N1CCCCCC1 1626a_100000185865_100000185746 [0,1,0,1,0,0|2,0,0]=4 2056 B11R1.852 C=CC(=O)N1CCCCCC1 240690a_100000185865_200121576911 [0,1,0,1,0,0|2,0,0]=4 2057 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000210414_100011217769 [0,1,0,1,0,0|1,0,0]=3 2058 B11R1.852 CCC(=O)C1CCCCCC1 1458a_100000749507_100000210202 [0,1,0,1,0,0|1,0,0]=3 2059 B11R1.852 CCC(=O)N1CCCCCC1 11a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 2060 B11R1.852 CCC(=O)N1CCCCCC1 1626a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 2061 B11R1.852 CCC(=O)N1CCCCCC1 240690a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 2062 B11R1.852 CCC(=O)N1CCCCCC1 527a_100000185865_100000210414 [0,1,0,1,0,0|2,0,0]=4 2063 B11R1.852 CNC(=O)C1CCCCCC1 11a_106832991635_100000749507 [0,1,0,1,0,0|1,0,0]=3 2064 B11R1.852 CNC(=O)C1CCCCCC1 1626a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 2065 B11R1.852 CNC(=O)C1CCCCCC1 240690a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 2066 B11R1.852 CNC(=O)C1CCCCCC1 527a_100102657272_100000749507 [0,1,0,1,0,0|1,0,0]=3 2067 B11R1.852 CNC(=O)N1CCCCCC1 2708a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 2068 B11R1.852 CNC(=O)N1CCCCCC1 273464a_100102657272_100000185865 [0,1,0,1,0,0|2,0,0]=4 2069 B11R1.852 O=C(CF)C1CCCCCC1 1458a_100000749507_100015361967 [0,1,0,1,0,0|1,0,0]=3 2070 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,0]=2 2071 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 2072 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,0]=3 2073 B11R1.852 O=C(CO)N1CCCOCC1 240690a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 2074 B11R1.852 O=C(CO)N1CCCOCC1 527a_100000685342_100000210174 [0,1,0,1,0,0|2,0,0]=4 2075 B11R1.17 CCCNC1CCCNC1=O 2230a_100000747585_100000210303 [0,1,0,1,0,0|1,0,0]=3 2076 B11R1.17 CCCNC1CCCNC1=O 34a_100000747585_100000210303 [0,1,0,1,0,0|1,0,0]=3 2077 B11R1.17 CCCOC1CCCCC1=O 34a_100000210258_100000754470 [0,1,0,1,0,0|1,0,0]=3 2078 B11R1.17 CCCOC1CCCCC1=O 34a_100011214950_100000210303 [0,1,0,1,0,0|1,0,0]=3 2079 B11R1.17 CCCOC1CCCCC1O 34a_100000210258_100000038908 [0,1,0,1,0,0|1,0,1]=4 2080 B11R1.17 CCCOC1CCCNC1=O 34a_100000073722_100000210303 [0,1,0,1,0,0|1,0,0]=3 2081 B11R1.17 CCCOC1CCCNC1=O 34a_100000210258_100000687798 [0,1,0,1,0,0|1,0,0]=3 2082 B11R1.17 CCCOC1COCCC1=O 34a_100000210258_100012180262 [0,1,0,1,0,0|2,0,0]=4 2083 B11R1.17 CCCSC1CCCCC1=O 62a_100000204591_100000210303 [0,1,0,1,0,0|1,0,0]=3 2084 B11R1.17 CCCSC1CCCCC1=O 62a_100000210303_100000204591 [0,1,0,1,0,0|1,0,0]=3 2085 B11R1.17 CCCSC1CCCCC1O 62a_100000038908_100000210303 [0,1,0,1,0,0|1,0,1]=4 2086 B11R1.17 CCCSC1CCCCC1O 62a_100000210303_100000038908 [0,1,0,1,0,0|1,0,1]=4 2087 B11R1.17 CCCSC1CCCNC1=O 62a_100000210303_100000687798 [0,1,0,1,0,0|1,0,0]=3 2088 B11R1.17 CCCSC1CCCNC1=O 62a_100000687798_100000210303 [0,1,0,1,0,0|1,0,0]=3 2089 B11R1.17 CCCSC1COCCC1=O 62a_100000210303_100012180262 [0,1,0,1,0,0|2,0,0]=4 2090 B11R1.17 CCCSC1COCCC1=O 62a_100012180262_100000210303 [0,1,0,1,0,0|2,0,0]=4 2091 B11R1.17 CCNCC1CCCCC1O 34a_100011216029_100000210202 [0,1,0,1,0,0|1,0,1]=4 2092 B11R1.17 CCOCC1CCCCC1=O 34a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 2093 B11R1.17 CCOCC1CCCCC1=O 7a_100009861125_100000210202 [0,1,0,1,0,0|1,0,0]=3 2094 B11R1.17 CNCCN1CCCCC1=O 2230a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 2095 B11R1.17 CNCCN1CCCCC1=O 34a_100160573077_200000210301 [0,1,0,1,0,0|2,0,0]=4 2096 B11R1.17 COCCC1NCCNC1=O 34a_100000044719_200000210301 [0,1,0,1,0,0|2,0,0]=4 2097 B11R1.17 COCNC1CCCNC1=O 2230a_100000747585_100000766300 [0,1,0,1,0,0|2,0,0]=4 2098 B11R1.17 COCSC1CCCCC1=O 62a_100000204591_100000766300 [0,1,0,1,0,0|2,0,0]=4 2099 B11R1.17 COCSC1CCCCC1=O 62a_100000766300_100000204591 [0,1,0,1,0,0|2,0,0]=4 2100 B11R1.17 COCSC1CCCNC1=O 62a_100000687798_100000766300 [0,1,0,1,0,0|2,0,0]=4 2101 B11R1.17 COCSC1CCCNC1=O 62a_100000766300_100000687798 [0,1,0,1,0,0|2,0,0]=4 2102 B11R1.17 CSCNC1CCCNC1=O 2230a_100000747585_100011218213 [0,1,0,1,0,0|2,0,0]=4 2103 B11R1.17 CSCNC1CCCNC1=O 34a_100000747585_100011218213 [0,1,0,1,0,0|2,0,0]=4 2104 B11R1.17 CSCOC1CCCCC1=O 34a_100011214950_100011218213 [0,1,0,1,0,0|2,0,0]=4 2105 B11R1.17 CSCOC1CCCNC1=O 34a_100000073722_100011218213 [0,1,0,1,0,0|2,0,0]=4 2106 B11R1.17 CSCSC1CCCCC1=O 62a_100000204591_100011218213 [0,1,0,1,0,0|2,0,0]=4 2107 B11R1.17 CSCSC1CCCCC1=O 62a_100011218213_100000204591 [0,1,0,1,0,0|2,0,0]=4 2108 B11R1.17 CSCSC1CCCNC1=O 62a_100000687798_100011218213 [0,1,0,1,0,0|2,0,0]=4 2109 B11R1.17 CSCSC1CCCNC1=O 62a_100011218213_100000687798 [0,1,0,1,0,0|2,0,0]=4 2110 B11R1.17 NCCOC1CCCCC1=O 34a_100000210304_100000754470 [0,1,0,1,0,0|2,0,0]=4 2111 B11R1.17 NCCOC1CCCNC1=O 34a_100000210304_100000687798 [0,1,0,1,0,0|2,0,0]=4 2112 B11R1.17 O=C1CCCCC1COCF 34a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 2113 B11R1.17 O=C1CCCCC1COCF 7a_100009861125_100015361967 [0,1,0,1,0,0|2,0,0]=4 2114 B11R1.17 O=C1CCCCC1NCCF 34a_100000724931_100000754470 [0,1,0,1,0,0|2,0,0]=4 2115 B11R1.17 O=C1CCCCC1NCCO 34a_100016990907_100000754470 [0,1,0,1,0,0|2,0,0]=4 2116 B11R1.17 O=C1CCCCC1OCCBr 34a_100000211926_100000754470 [0,1,0,1,0,0|2,0,0]=4 2117 B11R1.17 O=C1CCCCC1OCCF 34a_100011214950_100011217306 [0,1,0,1,0,0|2,0,0]=4 2118 B11R1.17 O=C1CCCCC1OCCO 34a_100011214950_100000211926 [0,1,0,1,0,0|2,0,0]=4 2119 B11R1.17 O=C1CCCCC1SCCF 62a_100000204591_100011217306 [0,1,0,1,0,0|2,0,0]=4 2120 B11R1.17 O=C1CCCCC1SCCF 62a_100011217306_100000204591 [0,1,0,1,0,0|2,0,0]=4 2121 B11R1.17 O=C1CCCCC1SCCO 62a_100000204591_100000211926 [0,1,0,1,0,0|2,0,0]=4 2122 B11R1.17 O=C1CCCCC1SCCO 62a_100000211926_100000204591 [0,1,0,1,0,0|2,0,0]=4 2123 B11R1.17 O=C1NCCCC1NCCF 2230a_100000747585_100011217306 [0,1,0,1,0,0|2,0,0]=4 2124 B11R1.17 O=C1NCCCC1NCCF 34a_100000724931_100000687798 [0,1,0,1,0,0|2,0,0]=4 2125 B11R1.17 O=C1NCCCC1NCCF 34a_100000747585_100011217306 [0,1,0,1,0,0|2,0,0]=4 2126 B11R1.17 O=C1NCCCC1NCCO 2230a_100000747585_100000211926 [0,1,0,1,0,0|2,0,0]=4 2127 B11R1.17 O=C1NCCCC1NCCO 2230a_100016997473_100000687798 [0,1,0,1,0,0|2,0,0]=4 2128 B11R1.17 O=C1NCCCC1NCCO 34a_100000747585_100000211926 [0,1,0,1,0,0|2,0,0]=4 2129 B11R1.17 O=C1NCCCC1NCCO 34a_100016990907_100000687798 [0,1,0,1,0,0|2,0,0]=4 2130 B11R1.17 O=C1NCCCC1OCCBr 34a_100000211926_100000687798 [0,1,0,1,0,0|2,0,0]=4 2131 B11R1.17 O=C1NCCCC1OCCF 34a_100000073722_100011217306 [0,1,0,1,0,0|2,0,0]=4 2132 B11R1.17 O=C1NCCCC1OCCO 34a_100000073722_100000211926 [0,1,0,1,0,0|2,0,0]=4 2133 B11R1.17 O=C1NCCCC1SCCF 62a_100000687798_100011217306 [0,1,0,1,0,0|2,0,0]=4 2134 B11R1.17 O=C1NCCCC1SCCF 62a_100011217306_100000687798 [0,1,0,1,0,0|2,0,0]=4 2135 B11R1.17 O=C1NCCCC1SCCO 62a_100000211926_100000687798 [0,1,0,1,0,0|2,0,0]=4 2136 B11R1.17 O=C1NCCCC1SCCO 62a_100000687798_100000211926 [0,1,0,1,0,0|2,0,0]=4 2137 B11R1.17 [13CH3]NCCN1CCCCC1=O 2230a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 2138 B11R1.17 [13CH3]NCCN1CCCCC1=O 34a_100160573077_200025704644 [0,1,0,1,0,0|2,0,0]=4 2139 B11R1.17 [13CH3]OCCC1NCCNC1=O 34a_100000044719_200025704644 [0,1,0,1,0,0|2,0,0]=4 2140 B11R1.21 CC(=O)N1CCC(C(C1)C)O 240690a_100011998114_100015343762 [0,1,0,1,0,0|2,0,0]=4 2141 B11R1.21 CC(=O)N1CCC(C(C1)C)O 527a_100011998114_100103153847 [0,1,0,1,0,0|2,0,0]=4 2142 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 11a_100020603432_100015343762 [0,1,0,1,0,0|2,0,0]=4 2143 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 2230a_100025716311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2144 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 240690a_100020603432_100015343762 [0,1,0,1,0,0|2,0,0]=4 2145 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 269982a_100025716311_200000210301 [0,1,0,1,0,0|2,0,0]=4 2146 B11R1.21 CC(=O)N1CCN([C@H](C1)C)C 527a_100020603432_100103153847 [0,1,0,1,0,0|2,0,0]=4 2147 B11R1.21 CC(=O)N1CCN([C@H](C1)C)[13CH3] 2230a_100025716311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2148 B11R1.21 CC(=O)N1CCN([C@H](C1)C)[13CH3] 269982a_100025716311_200025704644 [0,1,0,1,0,0|2,0,0]=4 2149 B11R1.185 CCCN1CC(CC1=O)NC 2230a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 2150 B11R1.185 CCCN1CC(CC1=O)NC 34a_100015185084_200000210301 [0,1,0,1,0,0|2,0,0]=4 2151 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 2230a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 2152 B11R1.185 CCCN1CC(CC1=O)N[13CH3] 34a_100015185084_200025704644 [0,1,0,1,0,0|2,0,0]=4 2153 B11R1.230 C#CCNC1CC(OC1=O)C 34a_100000212058_200000216747 [0,1,0,1,0,0|0,0,2]=4 2154 B11R1.230 C#CCOC1CC(OC1=O)C 34a_100000210247_200000216747 [0,1,0,1,0,0|0,0,2]=4 2155 B11R1.230 C#CCSC1CC(OC1=O)C 62a_100000038162_200000216747 [0,1,0,1,0,0|0,0,2]=4 2156 B11R1.230 C=CCNC1CC(OC1=O)C 2230a_100020586998_200000216747 [0,1,0,1,0,0|0,0,2]=4 2157 B11R1.230 C=CCOC1CC(OC1=O)C 34a_200000210373_200000216747 [0,1,0,1,0,0|0,0,2]=4 2158 B11R1.230 C=CCSC1CC(OC1=O)C 62a_100000210623_200000216747 [0,1,0,1,0,0|0,0,2]=4 2159 B11R1.230 C=CCSC1CC(OC1=O)C 62a_200000216747_100000210623 [0,1,0,1,0,0|0,0,2]=4 2160 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,1,0,1,0,0|1,0,0]=3 2161 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,1,0,1,0,0|1,0,0]=3 2162 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,1,0,1,0,0|1,0,0]=3 2163 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,1,0,1,0,0|1,0,0]=3 2164 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,1,0,1,0,0|1,0,0]=3 2165 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_100011215382_200000216747 [0,1,0,1,0,0|1,0,1]=4 2166 B11R1.230 CC1CC(C(=O)O1)SCC#N 62a_200000216747_100011215382 [0,1,0,1,0,0|1,0,1]=4 2167 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200000216747_200015260668 [0,1,0,1,0,0|1,0,1]=4 2168 B11R1.230 CC1CC(C(=O)O1)SCC=O 62a_200015260668_200000216747 [0,1,0,1,0,0|1,0,1]=4 2169 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,1,0,1,0,0|1,0,0]=3 2170 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,1,0,1,0,0|1,0,0]=3 2171 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,1,0,1,0,0|1,0,0]=3 2172 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,1,0,1,0,0|1,0,0]=3 2173 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|0,0,0]=2 2174 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|0,0,0]=2 2175 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|0,0,0]=2 2176 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,1,0,1,0,0|1,0,0]=3 2177 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,1,0,1,0,0|1,0,0]=3 2178 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,1,0,1,0,0|1,0,0]=3 2179 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,1,0,1,0,0|1,0,0]=3 2180 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 2230a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 2181 B11R1.233 CCCN[C@@H]1CCC[C@@]1(C)O 34a_100015977457_100000210303 [0,1,0,1,0,0|1,0,1]=4 2182 B11R1.266 CC(=O)N1CCCC(C1)CF 11a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 2183 B11R1.266 CC(=O)N1CCCC(C1)CF 1626a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 2184 B11R1.266 CC(=O)N1CCCC(C1)CF 240690a_100016992999_100015343762 [0,1,0,1,0,0|2,0,0]=4 2185 B11R1.266 CC(=O)N1CCCC(C1)CF 527a_100016992999_100103153847 [0,1,0,1,0,0|2,0,0]=4 2186 B11R1.266 CC(=O)N1CCCC(C1)CO 240690a_100000211344_100015343762 [0,1,0,1,0,0|2,0,0]=4 2187 B11R1.266 CC(=O)N1CCCC(C1)CO 527a_100000211344_100103153847 [0,1,0,1,0,0|2,0,0]=4 2188 B11R1.266 CC(=O)N1CCCC(C1)O[13CH3] 7a_200011196156_200025704644 [0,1,0,1,0,0|2,0,0]=4 2189 B11R1.266 CCN1CCCC(C1)C(=O)C 1458a_100000743261_200000210301 [0,1,0,1,0,0|1,0,0]=3 2190 B11R1.266 CCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210202 [0,1,0,1,0,0|1,0,0]=3 2191 B11R1.266 CCN1CCCC(C1)C(=O)N 269982a_100000195536_100000204670 [0,1,0,1,0,0|1,0,0]=3 2192 B11R1.266 CCN1CCCC(C1)C(=O)N 34a_100000195536_100000210202 [0,1,0,1,0,0|1,0,0]=3 2193 B11R1.266 CCN1CCCC(C1)C(=O)[13CH3] 1458a_100000743261_200025704644 [0,1,0,1,0,0|1,0,0]=3 2194 B11R1.266 CCN1CCCC(C1)C(C)O 2230a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 2195 B11R1.266 CCN1CCCC(C1)C(C)O 269982a_100000740858_100000204670 [0,1,0,1,0,0|1,0,1]=4 2196 B11R1.266 CCN1CCCC(C1)C(C)O 34a_100000740858_100000210202 [0,1,0,1,0,0|1,0,1]=4 2197 B11R1.266 CCN1CCOC(C1)C(=O)N 2230a_100000748043_100000210202 [0,1,0,1,0,0|2,0,0]=4 2198 B11R1.266 CCN1CCOC(C1)C(=O)N 34a_100000748043_100000210202 [0,1,0,1,0,0|2,0,0]=4 2199 B11R1.266 CNC1CCCC(C1)C(=O)N 2230a_100000749473_200000210301 [0,1,0,1,0,0|1,0,0]=3 2200 B11R1.266 CNC1CCCC(C1)C(=O)N 34a_100000749473_200000210301 [0,1,0,1,0,0|1,0,0]=3 2201 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|0,0,0]=2 2202 B11R1.266 COC1CCCC(C1)C(=O)C 1458a_100011215561_200000210301 [0,1,0,1,0,0|1,0,0]=3 2203 B11R1.266 COC1CCCC(C1)C(=O)[13CH3] 1458a_100011215561_200025704644 [0,1,0,1,0,0|1,0,0]=3 2204 B11R1.266 COC1CCCN(C1)C(=O)C 11a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2205 B11R1.266 COC1CCCN(C1)C(=O)C 1626a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2206 B11R1.266 COC1CCCN(C1)C(=O)C 240690a_100000695604_100015343762 [0,1,0,1,0,0|2,0,0]=4 2207 B11R1.266 COC1CCCN(C1)C(=O)C 527a_100000695604_100103153847 [0,1,0,1,0,0|2,0,0]=4 2208 B11R1.266 COC1CCCN(C1)C(=O)C 7a_200011196156_200000210301 [0,1,0,1,0,0|2,0,0]=4 2209 B11R1.266 NC(=O)C1CCCN(C1)CF 269982a_100000195536_100015361967 [0,1,0,1,0,0|2,0,0]=4 2210 B11R1.266 NC(=O)C1CCCN(C1)CF 34a_100000195536_100015361967 [0,1,0,1,0,0|2,0,0]=4 2211 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 2230a_100000749473_200025704644 [0,1,0,1,0,0|1,0,0]=3 2212 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)N 34a_100000749473_200025704644 [0,1,0,1,0,0|1,0,0]=3 2213 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|0,0,0]=2 2214 B11R1.565 CC(=O)N1CCCC(CC1)C 11a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 2215 B11R1.565 CC(=O)N1CCCC(CC1)C 1626a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 2216 B11R1.565 CC(=O)N1CCCC(CC1)C 240690a_100025706717_100015343762 [0,1,0,1,0,0|2,0,0]=4 2217 B11R1.565 CC(=O)N1CCCC(CC1)C 527a_100025706717_100103153847 [0,1,0,1,0,0|2,0,0]=4 2218 B11R1.565 CC(=O)N1CCCC(CC1)O 240690a_100015186869_100015343762 [0,1,0,1,0,0|2,0,0]=4 2219 B11R1.565 CC(=O)N1CCCC(CC1)O 527a_100015186869_100103153847 [0,1,0,1,0,0|2,0,0]=4 2220 B11R1.565 CC(=O)N1CCCN(CC1)C 2230a_100000233754_200000210301 [0,1,0,1,0,0|2,0,0]=4 2221 B11R1.565 CC(=O)N1CCCN(CC1)C 240690a_100000211313_100015343762 [0,1,0,1,0,0|2,0,0]=4 2222 B11R1.565 CC(=O)N1CCCN(CC1)C 269982a_100000233754_200000210301 [0,1,0,1,0,0|2,0,0]=4 2223 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 2230a_100000233754_200025704644 [0,1,0,1,0,0|2,0,0]=4 2224 B11R1.565 CC(=O)N1CCCN(CC1)[13CH3] 269982a_100000233754_200025704644 [0,1,0,1,0,0|2,0,0]=4 2225 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|0,0,0]=2 2226 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|0,0,0]=2 2227 B11R1.706 CC(=O)C1CC/C=C\CCC1 1458a_100000070787_100021000466 [0,1,0,1,0,0|1,0,1]=4 2228 B11R1.706 CC(=O)N1CCCCCCC1 11a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 2229 B11R1.706 CC(=O)N1CCCCCCC1 1626a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 2230 B11R1.706 CC(=O)N1CCCCCCC1 240690a_100000211400_100015343762 [0,1,0,1,0,0|2,0,0]=4 2231 B11R1.706 CC(=O)N1CCCCCCC1 527a_100000211400_100103153847 [0,1,0,1,0,0|2,0,0]=4 2232 B11R1.905 C#CCNC1(CCC1)C(=O)O 269956a_100000688724_100000184674 [0,1,0,1,0,0|0,0,2]=4 2233 B11R1.905 C=CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210623 [0,1,0,1,0,0|0,0,2]=4 2234 B11R1.905 CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000210207 [0,1,0,1,0,0|0,0,0]=2 2235 B11R1.905 CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210202 [0,1,0,1,0,0|0,0,0]=2 2236 B11R1.905 COCNC1(CCC1)C(=O)O 269956a_100000688724_100000766300 [0,1,0,1,0,0|1,0,0]=3 2237 B11R1.905 CSCNC1(CCC1)C(=O)O 269956a_100000688724_100011218213 [0,1,0,1,0,0|1,0,0]=3 2238 B11R1.905 N#CCNC1(CCC1)C(=O)O 269956a_100000688724_100011215382 [0,1,0,1,0,0|1,0,1]=4 2239 B11R1.905 O=C(O)C1(CCC1)CNCF 269956a_100000729485_100015361967 [0,1,0,1,0,0|1,0,0]=3 2240 B11R1.905 O=C(O)C1(CCC1)NCCF 269956a_100000688724_100011217306 [0,1,0,1,0,0|1,0,0]=3 2241 B11R1.905 O=C(O)C1(CCC1)NCCO 269956a_100000688724_100000211926 [0,1,0,1,0,0|1,0,0]=3 2242 B11R1.905 O=CCNC1(CCC1)C(=O)O 269956a_100000688724_200015260668 [0,1,0,1,0,0|1,0,1]=4 2243 B11R1.1239 CCNC1(CCCC1)C(=O)N 2230a_100000755618_100000210202 [0,1,0,1,0,0|2,0,0]=4 2244 B11R1.1239 CCNC1(CCCC1)C(=O)N 34a_100000755618_100000210202 [0,1,0,1,0,0|2,0,0]=4 2245 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,1,0,1,0,0|1,0,0]=3 2246 B11R1.1239 CNCC1(CCCC1)C(=O)O 269956a_100000695985_200000210301 [0,1,0,1,0,0|1,0,0]=3 2247 B11R1.1239 O=C(O)C1(CCCC1)NCF 269956a_100000739329_100015361967 [0,1,0,1,0,0|2,0,0]=4 2248 B11R1.1239 [13CH3]NCC1(CCCC1)C(=O)O 269956a_100000695985_200025704644 [0,1,0,1,0,0|1,0,0]=3 2249 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|1,0,0]=3 2250 B11R1.421 C[C@]1(CCCN1CF)C(=O)O 269956a_100009816582_100015361967 [0,1,0,1,0,0|2,0,0]=4 2251 B11R2.142 CC(=O)N1CCCC12CC2 11a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 2252 B11R2.142 CC(=O)N1CCCC12CC2 1626a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 2253 B11R2.142 CC(=O)N1CCCC12CC2 240690a_100020620911_100015343762 [0,0,0,2,0,0|2,0,0]=4 2254 B11R2.142 CC(=O)N1CCCC12CC2 527a_100020620911_100103153847 [0,0,0,2,0,0|2,0,0]=4 2255 B11R2.824 CC(=O)N1C2CCC1CC2 11a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 2256 B11R2.824 CC(=O)N1C2CCC1CC2 1626a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 2257 B11R2.824 CC(=O)N1C2CCC1CC2 240690a_100000735658_100015343762 [0,0,0,2,0,0|2,0,0]=4 2258 B11R2.824 CC(=O)N1C2CCC1CC2 527a_100000735658_100103153847 [0,0,0,2,0,0|2,0,0]=4 2259 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000070787_100000727232 [0,0,0,2,0,0|1,0,0]=3 2260 B11R2.845 CC(=O)C1CC2CCC1C2 1458a_100000181847_200000210301 [0,0,0,2,0,0|1,0,0]=3 2261 B11R2.845 CC(=O)N1CC2CCC1C2 11a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 2262 B11R2.845 CC(=O)N1CC2CCC1C2 1626a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 2263 B11R2.845 CC(=O)N1CC2CCC1C2 240690a_100000743476_100015343762 [0,0,0,2,0,0|2,0,0]=4 2264 B11R2.845 CC(=O)N1CC2CCC1C2 527a_100000743476_100103153847 [0,0,0,2,0,0|2,0,0]=4 2265 B11R2.845 [13CH3]C(=O)C1CC2CCC1C2 1458a_100000181847_200025704644 [0,0,0,2,0,0|1,0,0]=3 2266 B11R2.1852 CC(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200000210301 [0,0,0,2,0,0|1,0,0]=3 2267 B11R2.1852 [13CH3]C(=O)[C@H]1[C@H]2[C@@H]1CCCC2 1458a_100153394716_200025704644 [0,0,0,2,0,0|1,0,0]=3 2268 B11R2.837 CC(=O)N(C1CC1)C2CC2 11a_100000708171_100015343762 [0,0,0,2,0,0|2,0,0]=4 2269 B11R2.837 CC(=O)N(C1CC1)C2CC2 1626a_100000708171_100015343762 [0,0,0,2,0,0|2,0,0]=4 2270 B11R2.837 CC(=O)N(C1CC1)C2CC2 240690a_100000708171_100015343762 [0,0,0,2,0,0|2,0,0]=4 2271 B11R2.837 CC(=O)N(C1CC1)C2CC2 527a_100000708171_100103153847 [0,0,0,2,0,0|2,0,0]=4 2272 B11R0.280 C=C(C)CNC(CCC)CCC 2230a_100011207992_100000748629 [0,0,0,0,0,2|2,0,0]=4 2273 B11R0.280 C=C(C)CNC(CCC)CCC 34a_100011207992_100000748629 [0,0,0,0,0,2|2,0,0]=4 2274 B11R0.280 C=C(C)COC(CCC)CCC 34a_100000210245_200011218217 [0,0,0,0,0,2|2,0,0]=4 2275 B11R0.280 C=C(C)COC(CCC)CCC 34a_200011218534_100000748629 [0,0,0,0,0,2|2,0,0]=4 2276 B11R0.280 C=C(C)COC(CCC)CCC 7a_200011218534_100000748629 [0,0,0,0,0,2|2,0,0]=4 2277 B11R0.280 C=C(C)CSC(CCC)CCC 62a_100000748629_200011218217 [0,0,0,0,0,2|2,0,0]=4 2278 B11R0.280 C=C(C)CSC(CCC)CCC 62a_200011218217_100000211660 [0,0,0,0,0,2|2,0,0]=4 2279 B11R0.280 C=C(F)CNC(CCC)CCC 2230a_100011207992_100009893438 [0,0,0,0,0,2|2,0,0]=4 2280 B11R0.280 C=C(F)CNC(CCC)CCC 34a_100011207992_100009893438 [0,0,0,0,0,2|2,0,0]=4 2281 B11R0.280 C=C(F)COC(CCC)CCC 34a_200010262243_200011218217 [0,0,0,0,0,2|2,0,0]=4 2282 B11R0.280 C=C(F)COC(CCC)CCC 34a_200011218534_100009893438 [0,0,0,0,0,2|2,0,0]=4 2283 B11R0.280 C=C(F)COC(CCC)CCC 7a_200011218534_100000042424 [0,0,0,0,0,2|2,0,0]=4 2284 B11R0.280 C=C(F)CSC(CCC)CCC 62a_100000042424_200011218217 [0,0,0,0,0,2|2,0,0]=4 2285 B11R0.280 C=C(F)CSC(CCC)CCC 62a_200011218217_100000042424 [0,0,0,0,0,2|2,0,0]=4 2286 B11R0.280 CCCC(=NNC(=O)C)CCC 4a_100000189765_100000210088 [0,0,0,0,0,2|1,0,1]=4 2287 B11R0.280 CCCC(CCC)NCC(=O)N 2230a_100011207992_100000747473 [0,0,0,0,0,2|1,0,0]=3 2288 B11R0.280 CCCC(CCC)NCC(=O)N 34a_100011207992_100000187820 [0,0,0,0,0,2|1,0,0]=3 2289 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,0,0,0,0,2|0,0,0]=2 2290 B11R0.280 CCCC(CCC)NCC(=O)[O-] 34a_100011207992_100020667443 [0,0,0,0,0,2|0,0,1]=3 2291 B11R0.280 CCCC(CCC)NCC(C)O 2230a_100011207992_100011218427 [0,0,0,0,0,2|1,0,1]=4 2292 B11R0.280 CCCC(CCC)NCC(C)O 270004a_100000210904_100000210088 [0,0,0,0,0,2|1,0,1]=4 2293 B11R0.280 CCCC(CCC)NCC(C)O 34a_100000210904_200011218217 [0,0,0,0,0,2|1,0,1]=4 2294 B11R0.280 CCCC(CCC)NCC(C)O 34a_100011207992_100011218427 [0,0,0,0,0,2|1,0,1]=4 2295 B11R0.280 CCCC(CCC)NC[C@@H](C)O 2230a_100011207992_100009817552 [0,0,0,0,0,2|1,0,1]=4 2296 B11R0.280 CCCC(CCC)NC[C@@H](C)O 34a_100011207992_100009817552 [0,0,0,0,0,2|1,0,1]=4 2297 B11R0.280 CCCC(CCC)NC[N+](=O)[O-] 34a_100011207992_100000761209 [0,0,0,0,0,2|1,0,1]=4 2298 B11R0.280 CCCC(CCC)OCC(=O)C 34a_100000211253_200011218217 [0,0,0,0,0,2|1,0,0]=3 2299 B11R0.280 CCCC(CCC)OCC(=O)N 34a_200011218534_100000187820 [0,0,0,0,0,2|1,0,0]=3 2300 B11R0.280 CCCC(CCC)OCC(=O)N 7a_200011218534_100000187820 [0,0,0,0,0,2|1,0,0]=3 2301 B11R0.280 CCCC(CCC)OCC(=O)[O-] 34a_200011218534_100020667443 [0,0,0,0,0,2|0,0,1]=3 2302 B11R0.280 CCCC(CCC)OCC(C)O 34a_200011218534_100011218427 [0,0,0,0,0,2|1,0,1]=4 2303 B11R0.280 CCCC(CCC)OCC(C)O 7a_200011218534_100011218427 [0,0,0,0,0,2|1,0,1]=4 2304 B11R0.280 CCCC(CCC)OC[C@@H](C)O 34a_200011218534_100009817552 [0,0,0,0,0,2|1,0,1]=4 2305 B11R0.280 CCCC(CCC)OC[C@@H](C)O 7a_200011218534_100009817552 [0,0,0,0,0,2|1,0,1]=4 2306 B11R0.280 CCCC(CCC)OC[N+](=O)[O-] 34a_200011218534_100000761209 [0,0,0,0,0,2|1,0,1]=4 2307 B11R0.280 CCCC(CCC)SCC(=O)N 62a_100000747473_200011218217 [0,0,0,0,0,2|1,0,0]=3 2308 B11R0.280 CCCC(CCC)SCC(=O)N 62a_200011218217_100000747473 [0,0,0,0,0,2|1,0,0]=3 2309 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_100020667443_200011218217 [0,0,0,0,0,2|0,0,1]=3 2310 B11R0.280 CCCC(CCC)SCC(=O)[O-] 62a_200011218217_100020667443 [0,0,0,0,0,2|0,0,1]=3 2311 B11R0.280 CCCC(CCC)SCC(C)O 62a_100011218427_200011218217 [0,0,0,0,0,2|1,0,1]=4 2312 B11R0.280 CCCC(CCC)SCC(C)O 62a_200011218217_100011218427 [0,0,0,0,0,2|1,0,1]=4 2313 B11R0.280 CCCC(CCC)SC[C@@H](C)O 62a_100009817552_200011218217 [0,0,0,0,0,2|1,0,1]=4 2314 B11R0.280 CCCC(CCC)SC[C@@H](C)O 62a_200011218217_100009817552 [0,0,0,0,0,2|1,0,1]=4 2315 B11R0.280 CCCC(CCC)SC[N+](=O)[O-] 62a_200011218217_100000761209 [0,0,0,0,0,2|1,0,1]=4 2316 B11R0.280 CCCN(CCC)CCC(=O)C 269982a_100000210455_100000053229 [0,0,0,0,0,2|2,0,0]=4 2317 B11R0.280 CCCN(CCC)CCC(=O)N 2230a_100000210455_100000744528 [0,0,0,0,0,2|2,0,0]=4 2318 B11R0.280 CCCN(CCC)CCC(=O)N 269982a_100000210455_100000744528 [0,0,0,0,0,2|2,0,0]=4 2319 B11R0.280 CCCN(CCC)COC(=O)C 269982a_100000210455_100000076356 [0,0,0,0,0,2|2,0,0]=4 2320 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 2230a_100015193777_100000747473 [0,0,0,0,0,2|2,0,0]=4 2321 B11R0.280 CCC[C@@H](CCO)NCC(=O)N 34a_100015193777_100000187820 [0,0,0,0,0,2|2,0,0]=4 2322 B11R0.280 CCC[C@@H](CCO)NCC(=O)[O-] 34a_100015193777_100020667443 [0,0,0,0,0,2|1,0,1]=4