0 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [0,0,0,0,0,0|1,0,2]=3 1 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [0,0,0,0,0,0|1,0,2]=3 2 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [0,0,0,0,0,0|1,0,2]=3 3 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [0,0,0,0,0,0|2,0,1]=3 4 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [0,0,0,0,0,0|2,0,1]=3 5 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [0,0,0,0,0,0|3,0,1]=4 6 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [0,0,0,0,0,0|3,0,1]=4 7 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [0,0,0,0,0,0|2,0,1]=3 8 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [0,0,0,0,0,0|2,0,1]=3 9 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [0,0,0,0,0,0|2,0,1]=3 10 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [0,0,0,0,0,0|2,0,1]=3 11 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [0,0,0,0,0,0|3,0,1]=4 12 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [0,0,0,0,0,0|2,0,1]=3 13 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [0,0,0,0,0,0|2,0,1]=3 14 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [0,0,0,0,0,0|1,0,1]=2 15 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [0,0,0,0,0,0|3,0,1]=4 16 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [0,0,0,0,0,0|2,0,1]=3 17 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [0,0,0,0,0,0|2,0,1]=3 18 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [0,0,0,0,0,0|2,0,1]=3 19 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [0,0,0,0,0,0|2,0,1]=3 20 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [0,0,0,0,0,0|3,0,1]=4 21 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [0,0,0,0,0,0|3,0,1]=4 22 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [0,0,0,0,0,0|3,0,1]=4 23 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [0,0,0,0,0,0|3,0,1]=4 24 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [0,0,0,0,0,0|3,0,1]=4 25 B8R0.15 C=C[C@H](NCC)C(=O)O 269956a_100016992060_100000210202 [1,0,0,0,0,0|1,0,2]=4 26 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [1,0,0,0,0,0|1,0,1]=3 27 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [1,0,0,0,0,0|1,0,1]=3 28 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [1,0,0,0,0,0|1,0,1]=3 29 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [1,0,0,0,0,0|2,0,1]=4 30 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [1,0,0,0,0,0|2,0,1]=4 31 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [1,0,0,0,0,0|2,0,1]=4 32 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [1,0,0,0,0,0|2,0,1]=4 33 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 34 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 35 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [1,0,0,0,0,0|2,0,0]=3 36 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [1,0,0,0,0,0|2,0,0]=3 37 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [1,0,0,0,0,0|2,0,1]=4 38 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [1,0,0,0,0,0|2,0,1]=4 39 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [1,0,0,0,0,0|1,0,1]=3 40 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [1,0,0,0,0,0|2,0,1]=4 41 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [1,0,0,0,0,0|2,0,1]=4 42 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [1,0,0,0,0,0|1,0,1]=3 43 B8R0.15 CCN(CCO)C(=O)C 240690a_100000210973_100015343762 [1,0,0,0,0,0|3,0,0]=4 44 B8R0.15 CCN(CCO)C(=O)C 527a_100000210973_100103153847 [1,0,0,0,0,0|3,0,0]=4 45 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 46 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [1,0,0,0,0,0|2,0,1]=4 47 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [1,0,0,0,0,0|2,0,1]=4 48 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [1,0,0,0,0,0|2,0,1]=4 49 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [1,0,0,0,0,0|1,0,1]=3 50 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [1,0,0,0,0,0|2,0,1]=4 51 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [1,0,0,0,0,0|2,0,1]=4 52 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [1,0,0,0,0,0|2,0,1]=4 53 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [1,0,0,0,0,0|2,0,1]=4 54 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [1,0,0,0,0,0|2,0,1]=4 55 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [1,0,0,0,0,0|2,0,1]=4 56 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [1,0,0,0,0,0|2,0,1]=4 57 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [1,0,0,0,0,0|2,0,1]=4 58 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [1,0,0,0,0,0|2,0,1]=4 59 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [1,0,0,0,0,0|2,0,1]=4 60 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [1,0,0,0,0,0|2,0,1]=4 61 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [1,0,0,0,0,0|2,0,1]=4 62 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [1,0,0,0,0,0|1,0,2]=4 63 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [1,0,0,0,0,0|1,0,2]=4 64 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [0,1,0,0,0,0|2,0,1]=4 65 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [0,1,0,0,0,0|2,0,1]=4 66 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [0,1,0,0,0,0|2,0,1]=4 67 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [0,1,0,0,0,0|2,0,1]=4 68 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [0,1,0,0,0,0|1,0,1]=3 69 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [0,1,0,0,0,0|2,0,1]=4 70 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [0,1,0,0,0,0|2,0,1]=4 71 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [0,1,0,0,0,0|2,0,1]=4 72 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [0,1,0,0,0,0|2,0,1]=4 73 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [0,1,0,0,0,0|2,0,1]=4 74 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [0,1,0,0,0,0|2,0,1]=4 75 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,1,0,0,0,0|2,0,1]=4 76 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [0,1,0,0,0,0|2,0,1]=4 77 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [0,1,0,0,0,0|2,0,1]=4 78 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [0,1,0,0,0,0|2,0,1]=4 79 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [0,1,0,0,0,0|2,0,1]=4 80 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,1,0,0,0,0|1,0,1]=3 81 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,1,0,0,0,0|2,0,1]=4 82 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,1,0,0,0,0|2,0,1]=4 83 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,1,0,0,0,0|2,0,1]=4 84 B10R0.73 C#CC(=O)C(CCC)CCC 1458a_100000211873_200011218217 [0,1,0,0,0,0|1,0,2]=4 85 B10R0.73 C=CC(=O)C(CCC)CCC 1458a_100000185746_200011218217 [0,1,0,0,0,0|1,0,2]=4 86 B10R0.73 C=CC(=O)N(CCC)CCC 1626a_100000210455_100000185746 [0,1,0,0,0,0|2,0,1]=4 87 B10R0.73 C=CC(=O)N(CCC)CCC 240690a_100000210455_200121576911 [0,1,0,0,0,0|2,0,1]=4 88 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100000210414_200011218217 [0,1,0,0,0,0|1,0,2]=4 89 B10R0.73 CCCC(CCC)C(=O)CC 1458a_100011215354_100000210202 [0,1,0,0,0,0|1,0,2]=4 90 B10R0.73 CCCC(CCC)C(=O)CF 1458a_100011215354_100015361967 [0,1,0,0,0,0|1,0,2]=4 91 B10R0.73 CCCC(CCC)C(=O)CO 1458a_100000210174_200011218217 [0,1,0,0,0,0|0,0,2]=3 92 B10R0.73 CCCC(CCC)C(=O)NC 11a_106832991635_100011215354 [0,1,0,0,0,0|1,0,2]=4 93 B10R0.73 CCCC(CCC)C(=O)NC 1626a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 94 B10R0.73 CCCC(CCC)C(=O)NC 240690a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 95 B10R0.73 CCCC(CCC)C(=O)NC 527a_100102657272_100011215354 [0,1,0,0,0,0|1,0,2]=4 96 B10R0.73 CCCC(NCC)C(=O)NC 2230a_106256046333_100000210202 [0,1,0,0,0,0|2,0,1]=4 97 B10R0.73 CCCC(NCC)C(=O)NC 34a_106256046333_100000210202 [0,1,0,0,0,0|2,0,1]=4 98 B10R0.73 CCCC(NCC)C(=O)OC 2230a_100015525214_200009843822 [0,1,0,0,0,0|1,0,1]=3 99 B10R0.73 CCCC(OCC)C(=O)OC 34a_100121572206_200009843822 [0,1,0,0,0,0|1,0,1]=3 100 B10R0.73 CCCC(SCC)C(=O)OC 62a_100000210202_200009843822 [0,1,0,0,0,0|1,0,1]=3 101 B10R0.73 CCCC(SCC)C(=O)OC 62a_200009843822_100000210202 [0,1,0,0,0,0|1,0,1]=3 102 B10R0.73 CCCC(SCF)C(=O)OC 62a_100015361967_200009843822 [0,1,0,0,0,0|2,0,1]=4 103 B10R0.73 CCCC(SCF)C(=O)OC 62a_200009843822_100015361967 [0,1,0,0,0,0|2,0,1]=4 104 B10R0.73 CCCN(CCC)C(=O)CC 11a_100000210455_100000210414 [0,1,0,0,0,0|2,0,1]=4 105 B10R0.73 CCCN(CCC)C(=O)CC 1626a_100000210455_100000210414 [0,1,0,0,0,0|2,0,1]=4 106 B10R0.73 CCCN(CCC)C(=O)CC 240690a_100000210455_100000210414 [0,1,0,0,0,0|2,0,1]=4 107 B10R0.73 CCCN(CCC)C(=O)CC 527a_100000210455_100000210414 [0,1,0,0,0,0|2,0,1]=4 108 B10R0.73 CCCN(CCC)C(=O)CO 240690a_100000210455_100000210174 [0,1,0,0,0,0|1,0,1]=3 109 B10R0.73 CCCN(CCC)C(=O)CO 527a_100000210455_100000210174 [0,1,0,0,0,0|1,0,1]=3 110 B10R0.73 CCCN(CCC)C(=O)NC 2708a_100102657272_100000210455 [0,1,0,0,0,0|2,0,1]=4 111 B10R0.73 CCCN(CCC)C(=O)NC 273464a_100102657272_100000210455 [0,1,0,0,0,0|2,0,1]=4 112 B10R0.73 CCCN(CCO)C(=O)CO 240690a_100000211420_100000210174 [0,1,0,0,0,0|2,0,1]=4 113 B10R0.73 CCOC(COC)C(=O)OC 34a_100121572206_100000717350 [0,1,0,0,0,0|2,0,1]=4 114 B10R0.73 CCSC(COC)C(=O)OC 62a_100000210202_100000717350 [0,1,0,0,0,0|2,0,1]=4 115 B10R0.73 CCSC(COC)C(=O)OC 62a_100000717350_100000210202 [0,1,0,0,0,0|2,0,1]=4 116 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [0,1,0,0,0,0|1,0,2]=4 117 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [0,1,0,0,0,0|1,0,2]=4 118 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [0,1,0,0,0,0|2,0,1]=4 119 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [0,1,0,0,0,0|2,0,1]=4 120 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [0,1,0,0,0,0|2,0,1]=4 121 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [0,1,0,0,0,0|2,0,1]=4 122 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [0,1,0,0,0,0|2,0,1]=4 123 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [0,1,0,0,0,0|1,0,2]=4 124 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [0,1,0,0,0,0|2,0,1]=4 125 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [0,1,0,0,0,0|2,0,1]=4 126 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [0,1,0,0,0,0|2,0,1]=4 127 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [0,1,0,0,0,0|2,0,1]=4 128 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [0,1,0,0,0,0|2,0,1]=4 129 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [0,1,0,0,0,0|2,0,1]=4 130 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [0,1,0,0,0,0|2,0,1]=4 131 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [0,1,0,0,0,0|2,0,1]=4 132 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [0,1,0,0,0,0|2,0,1]=4 133 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [0,1,0,0,0,0|2,0,1]=4 134 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [0,1,0,0,0,0|2,0,1]=4 135 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [0,1,0,0,0,0|2,0,1]=4 136 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [0,1,0,0,0,0|2,0,1]=4 137 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [0,1,0,0,0,0|2,0,1]=4 138 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [0,1,0,0,0,0|1,0,2]=4 139 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [0,1,0,0,0,0|1,0,2]=4 140 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [0,1,0,0,0,0|0,0,2]=3 141 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [0,1,0,0,0,0|1,0,2]=4 142 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [0,1,0,0,0,0|1,0,2]=4 143 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [0,1,0,0,0,0|1,0,2]=4 144 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [0,1,0,0,0,0|1,0,2]=4 145 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [0,1,0,0,0,0|1,0,2]=4 146 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [0,1,0,0,0,0|1,0,2]=4 147 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [0,1,0,0,0,0|1,0,2]=4 148 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [0,1,0,0,0,0|2,0,1]=4 149 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [0,1,0,0,0,0|2,0,1]=4 150 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [0,1,0,0,0,0|1,0,1]=3 151 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [0,1,0,0,0,0|2,0,1]=4 152 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [0,1,0,0,0,0|2,0,1]=4 153 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [0,1,0,0,0,0|1,0,1]=3 154 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [0,1,0,0,0,0|2,0,1]=4 155 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [0,1,0,0,0,0|1,0,1]=3 156 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [0,1,0,0,0,0|2,0,1]=4 157 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [0,1,0,0,0,0|2,0,1]=4 158 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [0,1,0,0,0,0|1,0,1]=3 159 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [0,1,0,0,0,0|2,0,1]=4 160 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [0,1,0,0,0,0|2,0,1]=4 161 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [0,1,0,0,0,0|1,0,1]=3 162 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [0,1,0,0,0,0|1,0,1]=3 163 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [0,1,0,0,0,0|2,0,1]=4 164 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [0,1,0,0,0,0|2,0,1]=4 165 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [0,1,0,0,0,0|2,0,1]=4 166 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [0,1,0,0,0,0|2,0,1]=4 167 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [0,1,0,0,0,0|2,0,1]=4 168 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [0,1,0,0,0,0|2,0,1]=4 169 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [0,1,0,0,0,0|2,0,1]=4 170 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [0,1,0,0,0,0|2,0,1]=4 171 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [0,1,0,0,0,0|2,0,1]=4 172 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [0,1,0,0,0,0|2,0,1]=4 173 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [0,1,0,0,0,0|2,0,1]=4 174 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [0,1,0,0,0,0|2,0,1]=4 175 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [0,1,0,0,0,0|2,0,1]=4 176 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.4 CCNC1CCCNC1=O 2230a_100000747585_100000210202 [0,0,0,1,0,0|2,0,1]=4 178 B10R1.4 CCNC1CCCNC1=O 2230a_100015525214_100000687798 [0,0,0,1,0,0|2,0,1]=4 179 B10R1.4 CCNC1CCCNC1=O 34a_100000747585_100000210202 [0,0,0,1,0,0|2,0,1]=4 180 B10R1.4 CCOC1CCCCC1=O 34a_100011214950_100000210202 [0,0,0,1,0,0|2,0,1]=4 181 B10R1.4 CCOC1CCCCC1=O 34a_100121572206_100000754470 [0,0,0,1,0,0|2,0,1]=4 182 B10R1.4 CCOC1CCCNC1=O 34a_100000073722_100000210202 [0,0,0,1,0,0|2,0,1]=4 183 B10R1.4 CCOC1CCCNC1=O 34a_100121572206_100000687798 [0,0,0,1,0,0|2,0,1]=4 184 B10R1.4 CCOc1cccoc1=O 34a_100000077404_100000210202 [0,0,0,1,0,0|1,0,2]=4 185 B10R1.4 CCOc1cccoc1=O 7a_100000077404_100000210202 [0,0,0,1,0,0|1,0,2]=4 186 B10R1.4 CCSC1CCCCC1=O 62a_100000204591_100000210202 [0,0,0,1,0,0|2,0,1]=4 187 B10R1.4 CCSC1CCCCC1=O 62a_100000210202_100000204591 [0,0,0,1,0,0|2,0,1]=4 188 B10R1.4 CCSC1CCCNC1=O 62a_100000210202_100000687798 [0,0,0,1,0,0|2,0,1]=4 189 B10R1.4 CCSC1CCCNC1=O 62a_100000687798_100000210202 [0,0,0,1,0,0|2,0,1]=4 190 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 191 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 192 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [0,0,0,1,0,0|2,0,1]=4 193 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [0,0,0,1,0,0|2,0,1]=4 194 B10R1.39 CCN1CC=C[C@H]1C(=O)O 269956a_100000057196_100000210202 [0,0,0,1,0,0|1,0,2]=4 195 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [0,0,0,1,0,0|2,0,1]=4 196 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [0,0,0,1,0,0|2,0,1]=4 197 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [0,0,0,1,0,0|2,0,1]=4 198 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [0,0,0,1,0,0|1,0,1]=3 199 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [0,0,0,1,0,0|2,0,1]=4 200 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [0,0,0,1,0,0|2,0,1]=4 201 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [0,0,0,1,0,0|2,0,1]=4 202 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [0,0,0,1,0,0|1,0,2]=4 203 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [0,0,0,1,0,0|2,0,1]=4 204 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [0,0,0,1,0,0|2,0,1]=4 205 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [0,0,0,1,0,0|2,0,1]=4 206 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [0,0,0,1,0,0|1,0,2]=4 207 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [0,0,0,1,0,0|2,0,1]=4 208 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [0,0,0,1,0,0|2,0,1]=4 209 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [0,0,0,1,0,0|1,0,1]=3 210 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [0,0,0,1,0,0|1,0,1]=3 211 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [0,0,0,1,0,0|1,0,1]=3 212 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [0,0,0,1,0,0|1,0,1]=3 213 B10R1.130 COCc1cc(oc1C)C 34a_100000688432_200000210301 [0,0,0,1,0,0|2,0,1]=4 214 B10R1.130 COCc1cc(oc1C)C 7a_100000688432_200000210301 [0,0,0,1,0,0|2,0,1]=4 215 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 34a_100000688432_200025704644 [0,0,0,1,0,0|2,0,1]=4 216 B10R1.130 Cc1cc(c(o1)C)CO[13CH3] 7a_100000688432_200025704644 [0,0,0,1,0,0|2,0,1]=4 217 B10R1.290 CCCN(C(=O)C)C1CC1 11a_100000765834_100015343762 [0,0,0,1,0,0|2,0,1]=4 218 B10R1.290 CCCN(C(=O)C)C1CC1 1626a_100000765834_100015343762 [0,0,0,1,0,0|2,0,1]=4 219 B10R1.290 CCCN(C(=O)C)C1CC1 240690a_100000765834_100015343762 [0,0,0,1,0,0|2,0,1]=4 220 B10R1.290 CCCN(C(=O)C)C1CC1 527a_100000765834_100103153847 [0,0,0,1,0,0|2,0,1]=4 221 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [0,0,0,1,0,0|1,0,2]=4 222 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [0,0,0,1,0,0|1,0,2]=4 223 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 224 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 225 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [0,0,0,1,0,0|2,0,1]=4 226 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [0,0,0,1,0,0|2,0,1]=4 227 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [0,0,0,1,0,0|1,0,2]=4 228 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [0,0,0,1,0,0|1,0,1]=3 229 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [0,0,0,1,0,0|1,0,2]=4 230 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [0,0,0,1,0,0|2,0,1]=4 231 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [0,0,0,1,0,0|1,0,2]=4 232 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 233 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 234 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [0,0,0,0,0,1|1,0,2]=4 235 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [0,0,0,0,0,1|1,0,2]=4 236 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [0,0,0,0,0,1|2,0,1]=4 237 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [0,0,0,0,0,1|2,0,1]=4 238 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [0,0,0,0,0,1|2,0,1]=4 239 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [0,0,0,0,0,1|2,0,1]=4 240 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [0,0,0,0,0,1|1,0,2]=4 241 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [0,0,0,0,0,1|2,0,1]=4 242 B7R0.5 CC(CN[13CH3])C(=O)O 269956a_100000749485_200025704644 [2,0,0,0,0,0|1,0,1]=4 243 B7R0.5 CC/C=C(\C)/C(=O)C 1458a_100016988807_200000210301 [2,0,0,0,0,0|1,0,0]=3 244 B7R0.5 CC/C=C(\C)/C(=O)[13CH3] 1458a_100016988807_200025704644 [2,0,0,0,0,0|1,0,0]=3 245 B7R0.5 CCCC(C)C(=O)C 1458a_100000070787_100000766640 [2,0,0,0,0,0|1,0,1]=4 246 B7R0.5 CCCC(C)C(=O)C 1458a_100000210906_200000210301 [2,0,0,0,0,0|1,0,1]=4 247 B7R0.5 CCCC(C)C(=O)[13CH3] 1458a_100000210906_200025704644 [2,0,0,0,0,0|1,0,1]=4 248 B7R0.5 CCCN(C)C(=O)C 11a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 249 B7R0.5 CCCN(C)C(=O)C 1626a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 250 B7R0.5 CCCN(C)C(=O)C 240690a_100000747261_100015343762 [2,0,0,0,0,0|2,0,0]=4 251 B7R0.5 CCCN(C)C(=O)C 527a_100000747261_100103153847 [2,0,0,0,0,0|2,0,0]=4 252 B7R0.5 CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210202 [2,0,0,0,0,0|1,0,1]=4 253 B7R0.5 CNCC(C)C(=O)O 269956a_100000749485_200000210301 [2,0,0,0,0,0|1,0,1]=4 254 B7R0.15 CCC(CC)C(=O)C 1458a_100000070787_100000210505 [2,0,0,0,0,0|1,0,1]=4 255 B7R0.15 CCC(CC)C(=O)C 1458a_100000211163_200000210301 [2,0,0,0,0,0|1,0,1]=4 256 B7R0.15 CCC(CC)C(=O)[13CH3] 1458a_100000211163_200025704644 [2,0,0,0,0,0|1,0,1]=4 257 B7R0.15 CCN(CC)C(=O)C 11a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 258 B7R0.15 CCN(CC)C(=O)C 1626a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 259 B7R0.15 CCN(CC)C(=O)C 240690a_100000724800_100015343762 [2,0,0,0,0,0|2,0,0]=4 260 B7R0.15 CCN(CC)C(=O)C 527a_100000724800_100103153847 [2,0,0,0,0,0|2,0,0]=4 261 B7R0.15 CC[C@@H](NC)C(=O)O 269956a_100000747097_200000210301 [2,0,0,0,0,0|1,0,1]=4 262 B7R0.15 CC[C@@H](N[13CH3])C(=O)O 269956a_100000747097_200025704644 [2,0,0,0,0,0|1,0,1]=4 263 B7R0.7 CC#CC(=O)CCC 1458a_100000763181_100000210303 [2,0,0,0,0,0|0,0,2]=4 264 B7R0.7 CC=CC(=O)CCC 1458a_100000210699_100000210303 [2,0,0,0,0,0|0,0,1]=3 265 B7R0.7 CC=CC(=O)CCF 1458a_100000210699_100011217306 [2,0,0,0,0,0|1,0,1]=4 266 B7R0.7 CC=CC(=O)CCO 1458a_100000210699_100000211926 [2,0,0,0,0,0|1,0,1]=4 267 B7R0.7 CC=CC(=O)NCC 11a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 268 B7R0.7 CC=CC(=O)NCC 240690a_100015525214_100000210699 [2,0,0,0,0,0|1,0,1]=4 269 B7R0.7 CCCC(=O)C=CBr 1458a_100016273825_100000210303 [2,0,0,0,0,0|1,0,1]=4 270 B7R0.7 CCCC(=O)C=CCl 1458a_200016279998_100000210303 [2,0,0,0,0,0|1,0,1]=4 271 B7R0.7 CCCC(=O)C=CI 1458a_100016256311_100000210303 [2,0,0,0,0,0|1,0,1]=4 272 B7R0.7 CCCC(=O)CCC 1458a_100000211992_100000210303 [2,0,0,0,0,0|0,0,1]=3 273 B7R0.7 CCCC(=O)CCF 1458a_100000211992_100011217306 [2,0,0,0,0,0|1,0,1]=4 274 B7R0.7 CCCC(=O)CCO 1458a_100000211992_100000211926 [2,0,0,0,0,0|1,0,1]=4 275 B7R0.7 CCCC(=O)CCO 1458a_100011216618_100000210303 [2,0,0,0,0,0|1,0,1]=4 276 B7R0.7 CCCC(=O)CNC 2230a_106832991635_100000747444 [2,0,0,0,0,0|1,0,1]=4 277 B7R0.7 CCCC(=O)CNC 7a_106832991635_100000747444 [2,0,0,0,0,0|1,0,1]=4 278 B7R0.7 CCCC(=O)COC 1458a_100000210968_100000210303 [2,0,0,0,0,0|1,0,1]=4 279 B7R0.7 CCCC(=O)CSC 1458a_100000184570_100000210303 [2,0,0,0,0,0|1,0,1]=4 280 B7R0.7 CCCC(=O)CSC 62a_100000747444_200000210301 [2,0,0,0,0,0|1,0,1]=4 281 B7R0.7 CCCC(=O)CSC 62a_200000210301_100000747444 [2,0,0,0,0,0|1,0,1]=4 282 B7R0.7 CCCC(=O)CS[13CH3] 62a_100000747444_200025704644 [2,0,0,0,0,0|1,0,1]=4 283 B7R0.7 CCCC(=O)CS[13CH3] 62a_200025704644_100000747444 [2,0,0,0,0,0|1,0,1]=4 284 B7R0.7 CCCC(=O)NCC 11a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 285 B7R0.7 CCCC(=O)NCC 240690a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 286 B7R0.7 CCCC(=O)NCC 527a_100015525214_100000211992 [2,0,0,0,0,0|1,0,0]=3 287 B7R0.7 CCCC(=O)NNC 22a_100016993582_100000211992 [2,0,0,0,0,0|2,0,0]=4 288 B7R0.7 CCNC(=O)CCO 240690a_100015525214_100011216618 [2,0,0,0,0,0|2,0,0]=4 289 B7R0.7 CCNC(=O)CNC 2230a_100016988866_200000210301 [2,0,0,0,0,0|2,0,0]=4 290 B7R0.7 CCNC(=O)CNC 2230a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 291 B7R0.7 CCNC(=O)CNC 34a_100102657272_100000183381 [2,0,0,0,0,0|2,0,0]=4 292 B7R0.7 CCNC(=O)CNC 7a_106832991635_100000183381 [2,0,0,0,0,0|2,0,0]=4 293 B7R0.7 CCNC(=O)CN[13CH3] 2230a_100016988866_200025704644 [2,0,0,0,0,0|2,0,0]=4 294 B7R0.7 CCNC(=O)COC 11a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 295 B7R0.7 CCNC(=O)COC 240690a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 296 B7R0.7 CCNC(=O)COC 34a_100138415774_100000183381 [2,0,0,0,0,0|2,0,0]=4 297 B7R0.7 CCNC(=O)COC 527a_100015525214_100000210968 [2,0,0,0,0,0|2,0,0]=4 298 B7R0.7 CCNC(=O)CSC 11a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 299 B7R0.7 CCNC(=O)CSC 240690a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 300 B7R0.7 CCNC(=O)CSC 527a_100015525214_100000184570 [2,0,0,0,0,0|2,0,0]=4 301 B7R0.7 CCNC(=O)CSC 62a_100000183381_200000210301 [2,0,0,0,0,0|2,0,0]=4 302 B7R0.7 CCNC(=O)CSC 62a_200000210301_100000183381 [2,0,0,0,0,0|2,0,0]=4 303 B7R0.7 CCNC(=O)CS[13CH3] 62a_100000183381_200025704644 [2,0,0,0,0,0|2,0,0]=4 304 B7R0.7 CCNC(=O)CS[13CH3] 62a_200025704644_100000183381 [2,0,0,0,0,0|2,0,0]=4 305 B7R0.7 CCNC(=O)NCC 2708a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 306 B7R0.7 CCNC(=O)NCC 273464a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 307 B7R0.7 CCNC(=O)NCC 512a_100015525214_100015525214 [2,0,0,0,0,0|2,0,0]=4 308 B7R0.7 CCOC(=O)CNC 2230a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 309 B7R0.7 CCOC(=O)CNC 34a_100102657272_100000188475 [2,0,0,0,0,0|2,0,0]=4 310 B7R0.7 CCOC(=O)CNC 7a_106832991635_100000188475 [2,0,0,0,0,0|2,0,0]=4 311 B7R0.7 CCOC(=O)COC 34a_100138415774_100000188475 [2,0,0,0,0,0|2,0,0]=4 312 B7R0.7 CCOC(=O)CSC 62a_100000188475_200000210301 [2,0,0,0,0,0|2,0,0]=4 313 B7R0.7 CCOC(=O)CSC 62a_200000210301_100000188475 [2,0,0,0,0,0|2,0,0]=4 314 B7R0.7 CCOC(=O)CS[13CH3] 62a_100000188475_200025704644 [2,0,0,0,0,0|2,0,0]=4 315 B7R0.7 CCOC(=O)CS[13CH3] 62a_200025704644_100000188475 [2,0,0,0,0,0|2,0,0]=4 316 B9R0.12 C#CC(=O)C(CC)CCC 1458a_100000211873_100011219200 [1,1,0,0,0,0|1,0,1]=4 317 B9R0.12 C=CC(=O)C(CC)CCC 1458a_100000185746_100011219200 [1,1,0,0,0,0|1,0,1]=4 318 B9R0.12 C=CC(=O)N(CC)CCC 1626a_100000226822_100000185746 [1,1,0,0,0,0|2,0,0]=4 319 B9R0.12 C=CC(=O)N(CC)CCC 240690a_100000226822_200121576911 [1,1,0,0,0,0|2,0,0]=4 320 B9R0.12 CCCC(CC)C(=O)CC 1458a_100000210414_100011219200 [1,1,0,0,0,0|1,0,1]=4 321 B9R0.12 CCCC(CC)C(=O)CC 1458a_100011416436_100000210202 [1,1,0,0,0,0|1,0,1]=4 322 B9R0.12 CCCC(CC)C(=O)CF 1458a_100011416436_100015361967 [1,1,0,0,0,0|1,0,1]=4 323 B9R0.12 CCCC(CC)C(=O)CO 1458a_100000210174_100011219200 [1,1,0,0,0,0|0,0,1]=3 324 B9R0.12 CCCC(CC)C(=O)NC 11a_106832991635_100011416436 [1,1,0,0,0,0|1,0,1]=4 325 B9R0.12 CCCC(CC)C(=O)NC 1626a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 326 B9R0.12 CCCC(CC)C(=O)NC 240690a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 327 B9R0.12 CCCC(CC)C(=O)NC 527a_100102657272_100011416436 [1,1,0,0,0,0|1,0,1]=4 328 B9R0.12 CCCC(NC)C(=O)OC 2230a_106832991635_200009843822 [1,1,0,0,0,0|1,0,1]=4 329 B9R0.12 CCCC(NC)C(=O)OC 34a_100102657272_200009843822 [1,1,0,0,0,0|1,0,1]=4 330 B9R0.12 CCCC(NC)C(=O)OC 7a_106832991635_200009843822 [1,1,0,0,0,0|1,0,1]=4 331 B9R0.12 CCCC(OC)C(=O)OC 34a_100138415774_200009843822 [1,1,0,0,0,0|1,0,1]=4 332 B9R0.12 CCCC(SC)C(=O)OC 62a_200000210301_200009843822 [1,1,0,0,0,0|1,0,1]=4 333 B9R0.12 CCCC(SC)C(=O)OC 62a_200009843822_200000210301 [1,1,0,0,0,0|1,0,1]=4 334 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200009843822_200025704644 [1,1,0,0,0,0|1,0,1]=4 335 B9R0.12 CCCC(S[13CH3])C(=O)OC 62a_200025704644_200009843822 [1,1,0,0,0,0|1,0,1]=4 336 B9R0.12 CCCN(CC)C(=O)CC 11a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 337 B9R0.12 CCCN(CC)C(=O)CC 1626a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 338 B9R0.12 CCCN(CC)C(=O)CC 240690a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 339 B9R0.12 CCCN(CC)C(=O)CC 527a_100000226822_100000210414 [1,1,0,0,0,0|2,0,0]=4 340 B9R0.12 CCCN(CC)C(=O)CO 240690a_100000226822_100000210174 [1,1,0,0,0,0|1,0,0]=3 341 B9R0.12 CCCN(CC)C(=O)CO 527a_100000226822_100000210174 [1,1,0,0,0,0|1,0,0]=3 342 B9R0.12 CCCN(CC)C(=O)NC 2708a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 343 B9R0.12 CCCN(CC)C(=O)NC 273464a_100102657272_100000226822 [1,1,0,0,0,0|2,0,0]=4 344 B9R0.12 CCN(CCO)C(=O)CO 240690a_100000210973_100000210174 [1,1,0,0,0,0|2,0,0]=4 345 B9R0.12 CCN(CCO)C(=O)CO 527a_100000210973_100000210174 [1,1,0,0,0,0|2,0,0]=4 346 B9R0.12 CCNC(CC)C(=O)OC 2230a_100015525214_100000235869 [1,1,0,0,0,0|1,0,1]=4 347 B9R0.12 CCOC(CC)C(=O)OC 34a_100000695916_100000210202 [1,1,0,0,0,0|1,0,1]=4 348 B9R0.12 CCOC(CC)C(=O)OC 34a_100121572206_100000235869 [1,1,0,0,0,0|1,0,1]=4 349 B9R0.12 CCOC(CC)C(=O)OC 7a_100000695916_100000210202 [1,1,0,0,0,0|1,0,1]=4 350 B9R0.12 CCSC(CC)C(=O)OC 62a_100000210202_100000235869 [1,1,0,0,0,0|1,0,1]=4 351 B9R0.12 CCSC(CC)C(=O)OC 62a_100000235869_100000210202 [1,1,0,0,0,0|1,0,1]=4 352 B9R0.13 C=C[C@H](NCCC)C(=O)O 269956a_100016992060_100000210207 [1,1,0,0,0,0|0,0,2]=4 353 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000070787_200011216223 [1,1,0,0,0,0|1,0,1]=4 354 B9R0.13 CCCCC(CC)C(=O)C 1458a_100000211130_200000210301 [1,1,0,0,0,0|1,0,1]=4 355 B9R0.13 CCCCC(CC)C(=O)[13CH3] 1458a_100000211130_200025704644 [1,1,0,0,0,0|1,0,1]=4 356 B9R0.13 CCCCN(CC)C(=O)C 11a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 357 B9R0.13 CCCCN(CC)C(=O)C 1626a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 358 B9R0.13 CCCCN(CC)C(=O)C 240690a_100000207695_100015343762 [1,1,0,0,0,0|2,0,0]=4 359 B9R0.13 CCCCN(CC)C(=O)C 527a_100000207695_100103153847 [1,1,0,0,0,0|2,0,0]=4 360 B9R0.13 CCCNC(CC)C(=O)N 2230a_100000733705_100000210303 [1,1,0,0,0,0|1,0,1]=4 361 B9R0.13 CCCNC(CC)C(=O)N 34a_100000733705_100000210303 [1,1,0,0,0,0|1,0,1]=4 362 B9R0.13 CCCNC(CO)C(=O)O 269956a_100000187304_100000210207 [1,1,0,0,0,0|1,0,1]=4 363 B9R0.13 CCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210207 [1,1,0,0,0,0|0,0,1]=3 364 B9R0.13 CCCOC(CC)C(=O)N 34a_100000210258_100000750255 [1,1,0,0,0,0|1,0,1]=4 365 B9R0.13 CCCSC(CC)C(=O)N 62a_100000210303_100000750255 [1,1,0,0,0,0|1,0,1]=4 366 B9R0.13 CCCSC(CC)C(=O)N 62a_100000750255_100000210303 [1,1,0,0,0,0|1,0,1]=4 367 B9R0.13 CCN(CCOC)C(=O)C 11a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 368 B9R0.13 CCN(CCOC)C(=O)C 1626a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 369 B9R0.13 CCN(CCOC)C(=O)C 240690a_100000731262_100015343762 [1,1,0,0,0,0|2,0,0]=4 370 B9R0.13 CCN(CCOC)C(=O)C 527a_100000731262_100103153847 [1,1,0,0,0,0|2,0,0]=4 371 B9R0.13 CC[C@@H](NCCF)C(=O)O 269956a_100000747097_100011217306 [1,1,0,0,0,0|1,0,1]=4 372 B9R0.13 CC[C@@H](NCCO)C(=O)O 269956a_100000747097_100000211926 [1,1,0,0,0,0|1,0,1]=4 373 B9R0.13 CC[C@@H](NCOC)C(=O)O 269956a_100000747097_100000766300 [1,1,0,0,0,0|1,0,1]=4 374 B9R0.13 CC[C@@H](NCSC)C(=O)O 269956a_100000747097_100011218213 [1,1,0,0,0,0|1,0,1]=4 375 B9R0.13 CN[C@@H](CCSC)C(=O)O 269956a_100000743919_200000210301 [1,1,0,0,0,0|1,0,1]=4 376 B9R0.13 CN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_200000210301 [1,1,0,0,0,0|1,0,1]=4 377 B9R0.13 CSCC[C@H](N[13CH3])C(=O)O 269956a_100000743919_200025704644 [1,1,0,0,0,0|1,0,1]=4 378 B9R0.13 C[Se]CC[C@H](N[13CH3])C(=O)O 269956a_100020619752_200025704644 [1,1,0,0,0,0|1,0,1]=4 379 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [1,1,0,0,0,0|1,0,1]=4 380 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 381 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 382 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [1,1,0,0,0,0|2,0,0]=4 383 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [1,1,0,0,0,0|2,0,0]=4 384 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,1,0,0,0,0|1,0,1]=4 385 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,1,0,0,0,0|1,0,1]=4 386 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 387 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 388 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [1,1,0,0,0,0|2,0,0]=4 389 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [1,1,0,0,0,0|2,0,0]=4 390 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,1,0,0,0,0|1,0,1]=4 391 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,1,0,0,0,0|1,0,1]=4 392 B9R0.39 CCN(CC(C)C)C(=O)C 11a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 393 B9R0.39 CCN(CC(C)C)C(=O)C 1626a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 394 B9R0.39 CCN(CC(C)C)C(=O)C 240690a_100000738554_100015343762 [1,1,0,0,0,0|2,0,0]=4 395 B9R0.39 CCN(CC(C)C)C(=O)C 527a_100000738554_100103153847 [1,1,0,0,0,0|2,0,0]=4 396 B9R0.39 CCN(C[C@H](C)O)C(=O)C 240690a_100000729506_100015343762 [1,1,0,0,0,0|2,0,0]=4 397 B9R0.39 CCN(C[C@H](C)O)C(=O)C 527a_100000729506_100103153847 [1,1,0,0,0,0|2,0,0]=4 398 B9R0.39 CC[C@@H](NC(C)C)C(=O)O 269956a_100000747097_100000210206 [1,1,0,0,0,0|1,0,1]=4 399 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_100000070787_200000040151 [1,1,0,0,0,0|1,0,1]=4 400 B9R0.74 CCCC(C)(CC)C(=O)C 1458a_200000724995_200000210301 [1,1,0,0,0,0|1,0,1]=4 401 B9R0.74 CCCC(C)(CC)C(=O)[13CH3] 1458a_200000724995_200025704644 [1,1,0,0,0,0|1,0,1]=4 402 B9R0.74 CCNC(C)(CC)C(=O)O 269956a_100025756313_100000210202 [1,1,0,0,0,0|1,0,1]=4 403 B9R0.17 CCCN(CC=O)CCC 2230a_100000210455_200015260668 [1,1,0,0,0,0|1,0,1]=4 404 B9R0.17 CCCN(CC=O)CCC 269982a_100000210455_200015260668 [1,1,0,0,0,0|1,0,1]=4 405 B9R0.40 C=CC(=NNCC)CCC 4a_100000756455_200011215120 [1,1,0,0,0,0|2,0,0]=4 406 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,1,0,0,0,1|1,0,1]=4 407 B11R0.39 CCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210202 [0,1,0,0,0,1|1,0,1]=4 408 B11R0.279 CCCC(CC(=O)OC)OCC 7a_100000065524_100000210202 [0,1,0,0,0,1|1,0,1]=4 409 B11R0.279 CCCC(CCC)NC(=O)CO 240690a_100011207992_100000210174 [0,1,0,0,0,1|0,0,2]=4 410 B11R0.279 CCCC(CCC)NC(=O)CO 527a_100011207992_100000210174 [0,1,0,0,0,1|0,0,2]=4 411 B11R0.279 CCCN(CCC)CC(=O)OC 2230a_100000210455_100000747449 [0,1,0,0,0,1|1,0,1]=4 412 B11R0.279 CCCN(CCC)CC(=O)OC 269982a_100000210455_100000747449 [0,1,0,0,0,1|1,0,1]=4 413 B11R0.16 CCC[C@H](NC(C)(C)C)C(=O)O 269956a_100000750406_100000211941 [0,2,0,0,0,0|1,0,1]=4 414 B11R0.16 CCNC(CC(C)(C)C)C(=O)O 269956a_100000691758_100000210202 [0,2,0,0,0,0|1,0,1]=4 415 B11R0.16 CCN[C@@H](CC(C)(C)F)C(=O)O 269956a_100016039316_100000210202 [0,2,0,0,0,0|1,0,1]=4 416 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,2,0,0,0,0|1,0,1]=4 417 B11R0.160 CSCC[C@H](NC(C)C)C(=O)O 269956a_100000743919_100000210206 [0,2,0,0,0,0|1,0,1]=4 418 B11R0.160 C[Se]CC[C@H](NC(C)C)C(=O)O 269956a_100020619752_100000210206 [0,2,0,0,0,0|1,0,1]=4 419 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,2,0,0,0,0|1,0,1]=4 420 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,2,0,0,0,0|1,0,1]=4 421 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 422 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 423 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 424 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,2,0,0,0,0|1,0,1]=4 425 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,2,0,0,0,0|1,0,1]=4 426 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,2,0,0,0,0|0,0,2]=4 427 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,2,0,0,0,0|1,0,1]=4 428 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,2,0,0,0,0|1,0,1]=4 429 B11R0.41 CCC(=O)C(COC)C(=O)OC 1458a_100000210414_100000717350 [0,2,0,0,0,0|1,0,1]=4 430 B11R0.41 CCCC(C(=O)CC)C(=O)OC 1458a_100000210414_200009843822 [0,2,0,0,0,0|0,0,1]=3 431 B11R0.41 CCCC(C(=O)CO)C(=O)OC 1458a_100000210174_200009843822 [0,2,0,0,0,0|1,0,1]=4 432 B11R0.41 CCCC(C(=O)OC)N(C)CC 2230a_100000225621_200009843822 [0,2,0,0,0,0|1,0,1]=4 433 B11R0.41 CCCC(C(=O)OC)N(C)CC 269982a_100000225621_200009843822 [0,2,0,0,0,0|1,0,1]=4 434 B11R0.41 CCCN(C(=O)CO)C(C)CC 240690a_200011216551_100000210174 [0,2,0,0,0,0|1,0,1]=4 435 B11R0.41 CCCN(C(=O)CO)C(C)CC 527a_200011216551_100000210174 [0,2,0,0,0,0|1,0,1]=4 436 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210202 [0,2,0,0,0,0|1,0,1]=4 437 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000210202_100000056495 [0,2,0,0,0,0|1,0,1]=4 438 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,2,0,0,0,0|1,0,1]=4 439 B11R0.121 CCC(C)C(C(=O)O)N(C)CC 269956a_100000694001_100000210202 [0,2,0,0,0,0|1,0,1]=4 440 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,2,0,0,0,0|1,0,1]=4 441 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,2,0,0,0,0|0,0,2]=4 442 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,2,0,0,0,0|1,0,1]=4 443 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,2,0,0,0,0|1,0,1]=4 444 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,2,0,0,0,0|1,0,1]=4 445 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,2,0,0,0,0|1,0,1]=4 446 B11R0.38 CCCC(=NNCC)C(=O)OC 4a_100000756455_200000070466 [0,2,0,0,0,0|1,0,0]=3 447 B11R0.38 CCCC(NCCF)C(=O)OC 34a_100000724931_200009843822 [0,2,0,0,0,0|1,0,1]=4 448 B11R0.38 CCCC(NCCO)C(=O)OC 2230a_100016997473_200009843822 [0,2,0,0,0,0|1,0,1]=4 449 B11R0.38 CCCC(NCCO)C(=O)OC 34a_100016990907_200009843822 [0,2,0,0,0,0|1,0,1]=4 450 B11R0.38 CCCC(OCCBr)C(=O)OC 34a_100000211926_200009843822 [0,2,0,0,0,0|1,0,1]=4 451 B11R0.38 CCCC(OCCN)C(=O)OC 34a_100000210304_200009843822 [0,2,0,0,0,0|1,0,1]=4 452 B11R0.38 CCCC(SCCF)C(=O)OC 62a_100011217306_200009843822 [0,2,0,0,0,0|1,0,1]=4 453 B11R0.38 CCCC(SCCF)C(=O)OC 62a_200009843822_100011217306 [0,2,0,0,0,0|1,0,1]=4 454 B11R0.38 CCCC(SCCO)C(=O)OC 62a_100000211926_200009843822 [0,2,0,0,0,0|1,0,1]=4 455 B11R0.38 CCCC(SCCO)C(=O)OC 62a_200009843822_100000211926 [0,2,0,0,0,0|1,0,1]=4 456 B11R0.38 CCCC(SCOC)C(=O)OC 62a_100000766300_200009843822 [0,2,0,0,0,0|1,0,1]=4 457 B11R0.38 CCCC(SCOC)C(=O)OC 62a_200009843822_100000766300 [0,2,0,0,0,0|1,0,1]=4 458 B11R0.38 CCCC(SCSC)C(=O)OC 62a_100011218213_200009843822 [0,2,0,0,0,0|1,0,1]=4 459 B11R0.38 CCCC(SCSC)C(=O)OC 62a_200009843822_100011218213 [0,2,0,0,0,0|1,0,1]=4 460 B11R0.38 CCCCC(CCC)C(=O)CO 1458a_100000210174_100000211913 [0,2,0,0,0,0|0,0,2]=4 461 B11R0.38 CCCCC(NCC)C(=O)OC 2230a_100015525214_100000750740 [0,2,0,0,0,0|1,0,1]=4 462 B11R0.38 CCCCC(OCC)C(=O)OC 34a_100121572206_100000750740 [0,2,0,0,0,0|1,0,1]=4 463 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000210202_100000750740 [0,2,0,0,0,0|1,0,1]=4 464 B11R0.38 CCCCC(SCC)C(=O)OC 62a_100000750740_100000210202 [0,2,0,0,0,0|1,0,1]=4 465 B11R0.38 CCCCN(CCC)C(=O)CO 240690a_200000207744_100000210174 [0,2,0,0,0,0|1,0,1]=4 466 B11R0.38 CCCCN(CCC)C(=O)CO 527a_200000207744_100000210174 [0,2,0,0,0,0|1,0,1]=4 467 B11R0.38 CCCN(CCOC)C(=O)CO 240690a_200011192371_100000210174 [0,2,0,0,0,0|1,0,1]=4 468 B11R0.38 CCCN(CCOC)C(=O)CO 527a_200011192371_100000210174 [0,2,0,0,0,0|1,0,1]=4 469 B11R0.38 CCCOC(CCC)C(=O)OC 34a_100000210258_200009843822 [0,2,0,0,0,0|0,0,2]=4 470 B11R0.38 CCCSC(CCC)C(=O)OC 62a_100000210303_200009843822 [0,2,0,0,0,0|0,0,2]=4 471 B11R0.38 CCCSC(CCC)C(=O)OC 62a_200009843822_100000210303 [0,2,0,0,0,0|0,0,2]=4 472 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011215354_100000211926 [0,2,0,0,0,0|0,0,2]=4 473 B11R0.61 CCCC(CCC)C(=O)CCO 1458a_100011216618_200011218217 [0,2,0,0,0,0|0,0,2]=4 474 B11R0.61 CCCC(CCC)C(=O)COC 1458a_100000210968_200011218217 [0,2,0,0,0,0|0,0,2]=4 475 B11R0.61 CCCC(NCC)C(=O)OCC 2230a_100015525214_100000695697 [0,2,0,0,0,0|1,0,1]=4 476 B11R0.61 CCCC(OCC)C(=O)OCC 34a_100121572206_100000695697 [0,2,0,0,0,0|1,0,1]=4 477 B11R0.61 CCCC(OCC)C(=O)OCC 34a_200011218214_100000210202 [0,2,0,0,0,0|1,0,1]=4 478 B11R0.61 CCCC(OCC)C(=O)OCC 7a_200011218214_100000210202 [0,2,0,0,0,0|1,0,1]=4 479 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000210202_100000695697 [0,2,0,0,0,0|1,0,1]=4 480 B11R0.61 CCCC(SCC)C(=O)OCC 62a_100000695697_100000210202 [0,2,0,0,0,0|1,0,1]=4 481 B11R0.61 CCCN(CCC)C(=O)CCO 240690a_100000210455_100011216618 [0,2,0,0,0,0|1,0,1]=4 482 B11R0.61 CCCN(CCC)C(=O)COC 11a_100000210455_100000210968 [0,2,0,0,0,0|1,0,1]=4 483 B11R0.61 CCCN(CCC)C(=O)COC 1626a_100000210455_100000210968 [0,2,0,0,0,0|1,0,1]=4 484 B11R0.61 CCCN(CCC)C(=O)COC 240690a_100000210455_100000210968 [0,2,0,0,0,0|1,0,1]=4 485 B11R0.61 CCCN(CCC)C(=O)COC 34a_100138415774_100000230176 [0,2,0,0,0,0|1,0,1]=4 486 B11R0.61 CCCN(CCC)C(=O)COC 527a_100000210455_100000210968 [0,2,0,0,0,0|1,0,1]=4 487 B11R0.36 CCCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210207 [0,2,0,0,0,0|0,0,2]=4 488 B11R0.36 CCCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210207 [0,2,0,0,0,0|0,0,2]=4 489 B11R0.36 COCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000766300 [0,2,0,0,0,0|1,0,1]=4 490 B11R0.36 COCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000766300 [0,2,0,0,0,0|1,0,1]=4 491 B11R0.36 CSCC[C@H](NCCF)C(=O)O 269956a_100000743919_100011217306 [0,2,0,0,0,0|1,0,1]=4 492 B11R0.36 CSCC[C@H](NCCO)C(=O)O 269956a_100000743919_100000211926 [0,2,0,0,0,0|1,0,1]=4 493 B11R0.36 CSCC[C@H](NCSC)C(=O)O 269956a_100000743919_100011218213 [0,2,0,0,0,0|1,0,1]=4 494 B11R0.36 CSCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100011218213 [0,2,0,0,0,0|1,0,1]=4 495 B11R0.36 C[Se]CC[C@H](NCCF)C(=O)O 269956a_100020619752_100011217306 [0,2,0,0,0,0|1,0,1]=4 496 B11R0.36 C[Se]CC[C@H](NCCO)C(=O)O 269956a_100020619752_100000211926 [0,2,0,0,0,0|1,0,1]=4 497 B11R0.78 C#CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000688953 [0,2,0,0,0,0|1,0,1]=4 498 B11R0.78 C/C=C/CN[C@@H](CCC)C(=O)O 269956a_100000750406_100102629194 [0,2,0,0,0,0|0,0,2]=4 499 B11R0.78 C=CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000754431 [0,2,0,0,0,0|1,0,1]=4 500 B11R0.78 CC#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748600 [0,2,0,0,0,0|1,0,1]=4 501 B11R0.78 CCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210211 [0,2,0,0,0,0|0,0,2]=4 502 B11R0.78 CCC[C@H](NCCC#N)C(=O)O 269956a_100000750406_100011215226 [0,2,0,0,0,0|1,0,1]=4 503 B11R0.78 CCC[C@H](NCCCF)C(=O)O 269956a_100000750406_100011934791 [0,2,0,0,0,0|0,0,2]=4 504 B11R0.78 CCC[C@H](NCCCO)C(=O)O 269956a_100000750406_100011215043 [0,2,0,0,0,0|0,0,2]=4 505 B11R0.78 CCC[C@H](NCCOC)C(=O)O 269956a_100000750406_100000233755 [0,2,0,0,0,0|0,0,2]=4 506 B11R0.78 CCC[C@H](NCCSC)C(=O)O 269956a_100000750406_100000212216 [0,2,0,0,0,0|0,0,2]=4 507 B11R0.78 CCC[C@H](NCOCC)C(=O)O 269956a_100000750406_100000739092 [0,2,0,0,0,0|0,0,2]=4 508 B11R0.146 C=C(C)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000748629 [0,2,0,0,0,0|1,0,1]=4 509 B11R0.146 CCC[C@H](NCC(C)C)C(=O)O 269956a_100000750406_100000210760 [0,2,0,0,0,0|0,0,2]=4 510 B11R0.146 CCC[C@H](NCC(C)O)C(=O)O 269956a_100000750406_100011218427 [0,2,0,0,0,0|0,0,2]=4 511 B11R0.146 CCC[C@H](NCC(F)F)C(=O)O 269956a_100000750406_100011934356 [0,2,0,0,0,0|1,0,1]=4 512 B11R0.146 CCC[C@H](NC[C@@H](C)O)C(=O)O 269956a_100000750406_100009817552 [0,2,0,0,0,0|0,0,2]=4 513 B11R0.146 CCNC(CC[S+](C)C)C(=O)O 269956a_100000210779_100000210202 [0,2,0,0,0,0|1,0,1]=4 514 B11R0.146 CCN[C@@H](CCS(=O)C)C(=O)O 269956a_100015235763_100000210202 [0,2,0,0,0,0|1,0,1]=4 515 B9R1.6 CC(=O)C1=CCCCC1 1458a_100000765259_200000210301 [1,0,0,1,0,0|1,0,0]=3 516 B9R1.6 CC(=O)C1=CCCCO1 1458a_100000764163_200000210301 [1,0,0,1,0,0|2,0,0]=4 517 B9R1.6 CC(=O)C1=COCCC1 1458a_100000749935_200000210301 [1,0,0,1,0,0|2,0,0]=4 518 B9R1.6 CC(=O)C1CCCCC1 1458a_100000070787_100000210327 [1,0,0,1,0,0|1,0,1]=4 519 B9R1.6 CC(=O)C1CCCCC1 1458a_100000210647_200000210301 [1,0,0,1,0,0|1,0,1]=4 520 B9R1.6 [13CH3]C(=O)C1=CCCCC1 1458a_100000765259_200025704644 [1,0,0,1,0,0|1,0,0]=3 521 B9R1.6 [13CH3]C(=O)C1=CCCCO1 1458a_100000764163_200025704644 [1,0,0,1,0,0|2,0,0]=4 522 B9R1.6 [13CH3]C(=O)C1=COCCC1 1458a_100000749935_200025704644 [1,0,0,1,0,0|2,0,0]=4 523 B9R1.6 [13CH3]C(=O)C1CCCCC1 1458a_100000210647_200025704644 [1,0,0,1,0,0|1,0,1]=4 524 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200000216747_200025704644 [1,0,0,1,0,0|1,0,1]=4 525 B9R1.22 CC1CC(C(=O)O1)S[13CH3] 62a_200025704644_200000216747 [1,0,0,1,0,0|1,0,1]=4 526 B9R1.22 CNC1CC(OC1=O)C 2230a_106832991635_200000216747 [1,0,0,1,0,0|1,0,1]=4 527 B9R1.22 CNC1CC(OC1=O)C 34a_100102657272_200000216747 [1,0,0,1,0,0|1,0,1]=4 528 B9R1.22 CNC1CC(OC1=O)C 7a_106832991635_200000216747 [1,0,0,1,0,0|1,0,1]=4 529 B9R1.22 COC1CC(OC1=O)C 34a_100138415774_200000216747 [1,0,0,1,0,0|1,0,1]=4 530 B9R1.22 CSC1CC(OC1=O)C 62a_200000210301_200000216747 [1,0,0,1,0,0|1,0,1]=4 531 B9R1.22 CSC1CC(OC1=O)C 62a_200000216747_200000210301 [1,0,0,1,0,0|1,0,1]=4 532 B9R1.33 CCNC1CCOC1=O 2230a_100015525214_100000211211 [1,0,0,1,0,0|1,0,1]=4 533 B9R1.33 CCOC1CCOC1=O 34a_100121572206_100000211211 [1,0,0,1,0,0|1,0,1]=4 534 B9R1.33 CCSC1CCOC1=O 62a_100000210202_100000211211 [1,0,0,1,0,0|1,0,1]=4 535 B9R1.33 CCSC1CCOC1=O 62a_100000211211_100000210202 [1,0,0,1,0,0|1,0,1]=4 536 B9R1.33 COCC1=CCCC1=O 34a_100000087531_200000210301 [1,0,0,1,0,0|2,0,0]=4 537 B9R1.33 [13CH3]OCC1=CCCC1=O 34a_100000087531_200025704644 [1,0,0,1,0,0|2,0,0]=4 538 B9R1.35 CC(=O)N1CC[C@H](C1)C 11a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 539 B9R1.35 CC(=O)N1CC[C@H](C1)C 240690a_100016987628_100015343762 [1,0,0,1,0,0|2,0,0]=4 540 B9R1.35 CC(=O)N1CC[C@H](C1)C 527a_100016987628_100103153847 [1,0,0,1,0,0|2,0,0]=4 541 B9R1.41 CC(=O)C1CCCC1C 1458a_100000690547_200000210301 [1,0,0,1,0,0|1,0,1]=4 542 B9R1.41 CC(=O)N1CCC[C@@H]1C 240690a_100020605311_100015343762 [1,0,0,1,0,0|2,0,0]=4 543 B9R1.41 CC(=O)N1CCC[C@@H]1C 527a_100020605311_100103153847 [1,0,0,1,0,0|2,0,0]=4 544 B9R1.41 CC(=O)N1CCC[C@H]1C 11a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 545 B9R1.41 CC(=O)N1CCC[C@H]1C 240690a_100015189458_100015343762 [1,0,0,1,0,0|2,0,0]=4 546 B9R1.41 CC(=O)N1CCC[C@H]1C 527a_100015189458_100103153847 [1,0,0,1,0,0|2,0,0]=4 547 B9R1.41 CC1CCCC1C(=O)[13CH3] 1458a_100000690547_200025704644 [1,0,0,1,0,0|1,0,1]=4 548 B9R1.41 CN1CCC[C@H]1C(=O)O 269956a_100000743916_200000210301 [1,0,0,1,0,0|1,0,1]=4 549 B9R1.41 [13CH3]N1CCC[C@H]1C(=O)O 269956a_100000743916_200025704644 [1,0,0,1,0,0|1,0,1]=4 550 B9R1.96 CCN1CCC1C(=O)O 269956a_100000021838_100000210202 [1,0,0,1,0,0|1,0,1]=4 551 B9R1.116 CCN(C(=O)C)C1CC1 11a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 552 B9R1.116 CCN(C(=O)C)C1CC1 1626a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 553 B9R1.116 CCN(C(=O)C)C1CC1 240690a_100000738653_100015343762 [1,0,0,1,0,0|2,0,0]=4 554 B9R1.116 CCN(C(=O)C)C1CC1 527a_100000738653_100103153847 [1,0,0,1,0,0|2,0,0]=4 555 B9R1.119 CCC1(CCC1)C(=O)C 1458a_100000685558_200000210301 [1,0,0,1,0,0|1,0,1]=4 556 B9R1.119 CCC1(CCC1)C(=O)[13CH3] 1458a_100000685558_200025704644 [1,0,0,1,0,0|1,0,1]=4 557 B9R1.119 CNC1(CCC1)C(=O)O 269956a_100000688724_200000210301 [1,0,0,1,0,0|1,0,1]=4 558 B9R1.119 [13CH3]NC1(CCC1)C(=O)O 269956a_100000688724_200025704644 [1,0,0,1,0,0|1,0,1]=4 559 B9R1.179 CCNC1(CC1)C(=O)O 269956a_100000746478_100000210202 [1,0,0,1,0,0|1,0,1]=4 560 B9R1.179 CNCC1(CC1)C(=O)O 269956a_100000703410_200000210301 [1,0,0,1,0,0|1,0,1]=4 561 B9R1.179 [13CH3]NCC1(CC1)C(=O)O 269956a_100000703410_200025704644 [1,0,0,1,0,0|1,0,1]=4 562 B11R1.34 CCOc1cc(oc(=O)c1)C 34a_100000210952_100000210202 [0,0,0,1,0,1|1,0,1]=4 563 B11R1.34 CCOc1cc(oc(=O)c1)C 7a_100000210952_100000210202 [0,0,0,1,0,1|1,0,1]=4 564 B11R1.193 CCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210207 [0,0,0,1,0,1|1,0,1]=4 565 B11R1.742 CC(=O)C=C1CCCCCC1 1458a_100011240665_200000210301 [0,0,0,1,0,1|1,0,1]=4 566 B11R1.742 [13CH3]C(=O)C=C1CCCCCC1 1458a_100011240665_200025704644 [0,0,0,1,0,1|1,0,1]=4 567 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,1,0,1,0,0|1,0,1]=4 568 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,1,0,1,0,0|1,0,1]=4 569 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [0,1,0,1,0,0|1,0,1]=4 570 B11R1.645 CC(C)NC1CC(OC1=O)C 2230a_100138425928_200000216747 [0,1,0,1,0,0|1,0,1]=4 571 B11R1.645 CC(C)NC1CC(OC1=O)C 34a_100138425928_200000216747 [0,1,0,1,0,0|1,0,1]=4 572 B11R1.645 CC(C)OC1CC(OC1=O)C 34a_100000212225_200000216747 [0,1,0,1,0,0|1,0,1]=4 573 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_100000210206_200000216747 [0,1,0,1,0,0|1,0,1]=4 574 B11R1.645 CC1CC(C(=O)O1)SC(C)C 62a_200000216747_100000210206 [0,1,0,1,0,0|1,0,1]=4 575 B11R1.806 CCC[C@H](NC1CC1)C(=O)O 269956a_100000750406_100000211595 [0,1,0,1,0,0|0,0,2]=4 576 B11R1.929 CC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000210206 [0,1,0,1,0,0|1,0,1]=4 577 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,1,0,1,0,0|1,0,1]=4 578 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,1,0,1,0,0|1,0,1]=4 579 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,1,0,1,0,0|1,0,1]=4 580 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,1,0,1,0,0|1,0,1]=4 581 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,1,0,1,0,0|1,0,1]=4 582 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,1,0,1,0,0|1,0,1]=4 583 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,1,0,1,0,0|1,0,1]=4 584 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,1,0,1,0,0|1,0,1]=4 585 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,1,0,1,0,0|1,0,1]=4 586 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,1,0,1,0,0|1,0,1]=4 587 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,1,0,1,0,0|1,0,1]=4 588 B11R1.222 CCC(=O)C1=C(OCCO1)C 1458a_100000068647_100000210202 [0,1,0,1,0,0|2,0,0]=4 589 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,1,0,1,0,0|1,0,1]=4 590 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,1,0,1,0,0|1,0,1]=4 591 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,1,0,1,0,0|1,0,1]=4 592 B11R1.225 CC1CC(C(=O)O1)C(=O)CO 1458a_100000210174_200000216747 [0,1,0,1,0,0|1,0,1]=4 593 B11R1.225 CCC(=O)C1CC(OC1=O)C 1458a_100000210414_200000216747 [0,1,0,1,0,0|0,0,1]=3 594 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,1,0,1,0,0|1,0,1]=4 595 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,1,0,1,0,0|1,0,1]=4 596 B11R1.527 CCCN(C(=O)CO)C1CC1 240690a_100000765834_100000210174 [0,1,0,1,0,0|1,0,1]=4 597 B11R1.527 CCCN(C(=O)CO)C1CC1 527a_100000765834_100000210174 [0,1,0,1,0,0|1,0,1]=4 598 B11R1.527 CCNC(C(=O)OC)C1CC1 2230a_100015525214_100016157471 [0,1,0,1,0,0|1,0,1]=4 599 B11R1.527 CCOC(C(=O)OC)C1CC1 34a_100121572206_100016157471 [0,1,0,1,0,0|1,0,1]=4 600 B11R1.527 CCSC(C(=O)OC)C1CC1 62a_100000210202_100016157471 [0,1,0,1,0,0|1,0,1]=4 601 B11R1.527 CCSC(C(=O)OC)C1CC1 62a_100016157471_100000210202 [0,1,0,1,0,0|1,0,1]=4 602 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,1,0,1,0,0|1,0,1]=4 603 B11R1.879 CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210202 [0,1,0,1,0,0|1,0,1]=4 604 B11R1.23 CNC(=O)C1=CCCN(C1)C 240690a_100102657272_100020639683 [0,1,0,1,0,0|2,0,0]=4 605 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 240690a_100000717927_100000210174 [0,1,0,1,0,0|1,0,1]=4 606 B11R1.23 C[C@H]1CCCN(C1)C(=O)CO 527a_100000717927_100000210174 [0,1,0,1,0,0|1,0,1]=4 607 B11R1.59 CCC1CCCN1C(=O)CO 240690a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 608 B11R1.59 CCC1CCCN1C(=O)CO 527a_100000754278_100000210174 [0,1,0,1,0,0|1,0,1]=4 609 B11R1.59 CCN1CCC[C@H]1C(=O)OC 2230a_100000752040_100000210202 [0,1,0,1,0,0|1,0,1]=4 610 B11R1.59 CCN1CCC[C@H]1C(=O)OC 269982a_100000752040_100000204670 [0,1,0,1,0,0|1,0,1]=4 611 B11R1.768 CCOC1(CCC1)C(=O)OC 34a_100000702008_100000210202 [0,1,0,1,0,0|1,0,1]=4 612 B11R1.768 CCOC1(CCC1)C(=O)OC 34a_100121572206_100000694912 [0,1,0,1,0,0|1,0,1]=4 613 B11R1.768 CCOC1(CCC1)C(=O)OC 7a_100000702008_100000210202 [0,1,0,1,0,0|1,0,1]=4 614 B11R1.768 CCSC1(CCC1)C(=O)OC 62a_100000210202_100000694912 [0,1,0,1,0,0|1,0,1]=4 615 B11R1.768 CCSC1(CCC1)C(=O)OC 62a_100000694912_100000210202 [0,1,0,1,0,0|1,0,1]=4 616 B11R1.852 O=C(CO)C1CCCCCC1 1458a_100000210174_100011217769 [0,1,0,1,0,0|0,0,2]=4 617 B11R1.852 O=C(CO)N1CCCCCC1 240690a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 618 B11R1.852 O=C(CO)N1CCCCCC1 527a_100000185865_100000210174 [0,1,0,1,0,0|1,0,1]=4 619 B11R1.17 CCCOc1cccoc1=O 34a_100000077404_100000210303 [0,1,0,1,0,0|0,0,2]=4 620 B11R1.17 CCCOc1cccoc1=O 7a_100000077404_100000210303 [0,1,0,1,0,0|0,0,2]=4 621 B11R1.81 CCCc1cnc(nc1O)C 271570a_203496583355_200000069602 [0,1,0,1,0,0|1,0,1]=4 622 B11R1.230 CC1CC(C(=O)O1)NCCF 34a_100000724931_200000216747 [0,1,0,1,0,0|1,0,1]=4 623 B11R1.230 CC1CC(C(=O)O1)NCCO 2230a_100016997473_200000216747 [0,1,0,1,0,0|1,0,1]=4 624 B11R1.230 CC1CC(C(=O)O1)NCCO 34a_100016990907_200000216747 [0,1,0,1,0,0|1,0,1]=4 625 B11R1.230 CC1CC(C(=O)O1)OCCBr 34a_100000211926_200000216747 [0,1,0,1,0,0|1,0,1]=4 626 B11R1.230 CC1CC(C(=O)O1)OCCN 34a_100000210304_200000216747 [0,1,0,1,0,0|1,0,1]=4 627 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_100011217306_200000216747 [0,1,0,1,0,0|1,0,1]=4 628 B11R1.230 CC1CC(C(=O)O1)SCCF 62a_200000216747_100011217306 [0,1,0,1,0,0|1,0,1]=4 629 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_100000211926_200000216747 [0,1,0,1,0,0|1,0,1]=4 630 B11R1.230 CC1CC(C(=O)O1)SCCO 62a_200000216747_100000211926 [0,1,0,1,0,0|1,0,1]=4 631 B11R1.230 CCCOC1CC(OC1=O)C 34a_100000210258_200000216747 [0,1,0,1,0,0|0,0,2]=4 632 B11R1.230 CCCSC1CC(OC1=O)C 62a_100000210303_200000216747 [0,1,0,1,0,0|0,0,2]=4 633 B11R1.230 CCCSC1CC(OC1=O)C 62a_200000216747_100000210303 [0,1,0,1,0,0|0,0,2]=4 634 B11R1.230 CCOCc1cc(oc1C)C 34a_100000688432_100000210202 [0,1,0,1,0,0|1,0,1]=4 635 B11R1.230 CCOCc1cc(oc1C)C 7a_100000688432_100000210202 [0,1,0,1,0,0|1,0,1]=4 636 B11R1.230 COCSC1CC(OC1=O)C 62a_100000766300_200000216747 [0,1,0,1,0,0|1,0,1]=4 637 B11R1.230 COCSC1CC(OC1=O)C 62a_200000216747_100000766300 [0,1,0,1,0,0|1,0,1]=4 638 B11R1.230 CSCSC1CC(OC1=O)C 62a_100011218213_200000216747 [0,1,0,1,0,0|1,0,1]=4 639 B11R1.230 CSCSC1CC(OC1=O)C 62a_200000216747_100011218213 [0,1,0,1,0,0|1,0,1]=4 640 B11R1.266 CNC1CCCC(C1)C(=O)O 269956a_100011216634_200000210301 [0,1,0,1,0,0|0,0,2]=4 641 B11R1.266 [13CH3]NC1CCCC(C1)C(=O)O 269956a_100011216634_200025704644 [0,1,0,1,0,0|0,0,2]=4 642 B11R1.565 CN1CCCC(CC1)C(=O)O 269956a_100000134118_200000210301 [0,1,0,1,0,0|0,0,2]=4 643 B11R1.565 [13CH3]N1CCCC(CC1)C(=O)O 269956a_100000134118_200025704644 [0,1,0,1,0,0|0,0,2]=4 644 B11R1.905 CCCNC1(CCC1)C(=O)O 269956a_100000688724_100000210207 [0,1,0,1,0,0|0,0,2]=4 645 B11R1.905 CCNCC1(CCC1)C(=O)O 269956a_100000729485_100000210202 [0,1,0,1,0,0|0,0,2]=4 646 B11R1.905 COCNC1(CCC1)C(=O)O 269956a_100000688724_100000766300 [0,1,0,1,0,0|1,0,1]=4 647 B11R1.905 CSCNC1(CCC1)C(=O)O 269956a_100000688724_100011218213 [0,1,0,1,0,0|1,0,1]=4 648 B11R1.905 O=C(O)C1(CCC1)NCCF 269956a_100000688724_100011217306 [0,1,0,1,0,0|1,0,1]=4 649 B11R1.905 O=C(O)C1(CCC1)NCCO 269956a_100000688724_100000211926 [0,1,0,1,0,0|1,0,1]=4 650 B11R1.1239 CCNC1(CCCC1)C(=O)O 269956a_100000739329_100000210202 [0,1,0,1,0,0|1,0,1]=4 651 B11R1.421 CCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210202 [0,1,0,1,0,0|1,0,1]=4 652 B11R0.280 CCCC(=NNC(=O)C)CCC 4a_100000189765_100000210088 [0,0,0,0,0,2|1,0,1]=4 653 B11R0.280 CCCC(CCC)NCC(=O)O 269956a_100016091260_200011218217 [0,0,0,0,0,2|0,0,2]=4