0 B10R0.30 CCCC(C(=O)C)C(=O)OC 1458a_100000070787_200009843822 [0,0,0,0,0,0|2,0,2]=4 1 B10R0.30 CCCC(C(C)CC)N(C)C 270004a_100102631434_100011218362 [0,0,0,0,0,0|4,0,0]=4 2 B10R0.30 CCCN(C(=O)C)C(C)CC 11a_200011216551_100015343762 [0,0,0,0,0,0|3,0,0]=3 3 B10R0.30 CCCN(C(=O)C)C(C)CC 1626a_200011216551_100015343762 [0,0,0,0,0,0|3,0,0]=3 4 B10R0.30 CCCN(C(=O)C)C(C)CC 240690a_200011216551_100015343762 [0,0,0,0,0,0|3,0,0]=3 5 B10R0.30 CCCN(C(=O)C)C(C)CC 527a_200011216551_100103153847 [0,0,0,0,0,0|3,0,0]=3 6 B10R0.30 CCCN(C(=O)C)C(C)CO 240690a_100011303929_100015343762 [0,0,0,0,0,0|4,0,0]=4 7 B10R0.30 CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210202 [0,0,0,0,0,0|2,0,0]=2 8 B10R0.30 CCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210202 [0,0,0,0,0,0|3,0,0]=3 9 B10R0.30 CCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210202 [0,0,0,0,0,0|3,0,0]=3 10 B10R0.30 CC[C@H](C)[C@@H](NCF)C(=O)O 269956a_100009815163_100015361967 [0,0,0,0,0,0|3,0,0]=3 11 B10R0.30 CO[C@H](C)[C@H](NCF)C(=O)O 269956a_100015335849_100015361967 [0,0,0,0,0,0|4,0,0]=4 12 B9R0.12 CCCC(NC)C(C)CC 270004a_106832991635_100011218362 [1,0,0,0,0,0|3,0,0]=4 13 B9R0.12 CCCC(OC)C(C)CC 34a_100011215975_200000210301 [1,0,0,0,0,0|3,0,0]=4 14 B9R0.12 CCCC(OC)C(C)CC 7a_100011215975_200000210301 [1,0,0,0,0,0|3,0,0]=4 15 B9R0.12 CCCC(O[13CH3])C(C)CC 34a_100011215975_200025704644 [1,0,0,0,0,0|3,0,0]=4 16 B9R0.12 CCCC(O[13CH3])C(C)CC 7a_100011215975_200025704644 [1,0,0,0,0,0|3,0,0]=4 17 B9R0.12 CCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210202 [1,0,0,0,0,0|2,0,1]=4 18 B9R0.15 CCCC(CCC)C(=O)C 1458a_100000070787_200011218217 [1,0,0,0,0,0|1,0,0]=2 19 B9R0.15 CCCC(CCC)C(=O)C 1458a_100011215354_200000210301 [1,0,0,0,0,0|1,0,0]=2 20 B9R0.15 CCCC(CCC)C(=O)[13CH3] 1458a_100011215354_200025704644 [1,0,0,0,0,0|1,0,0]=2 21 B9R0.15 CCCC(CCC)N(C)C 269982a_100102631434_200011218217 [1,0,0,0,0,0|3,0,0]=4 22 B9R0.15 CCCC(CCC)N(C)C 270004a_100102631434_100000210088 [1,0,0,0,0,0|3,0,0]=4 23 B9R0.15 CCCC(OCC)C(=O)N 34a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 24 B9R0.15 CCCC(OCC)C(=O)N 7a_100011626294_100000210202 [1,0,0,0,0,0|2,0,0]=3 25 B9R0.15 CCCC(OCF)C(=O)N 34a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 26 B9R0.15 CCCC(OCF)C(=O)N 7a_100011626294_100015361967 [1,0,0,0,0,0|3,0,0]=4 27 B9R0.15 CCCN(CCC)C(=O)C 11a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 28 B9R0.15 CCCN(CCC)C(=O)C 1626a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 29 B9R0.15 CCCN(CCC)C(=O)C 240690a_100000210455_100015343762 [1,0,0,0,0,0|2,0,0]=3 30 B9R0.15 CCCN(CCC)C(=O)C 527a_100000210455_100103153847 [1,0,0,0,0,0|2,0,0]=3 31 B9R0.15 CCCN(CCO)C(=O)C 240690a_100000211420_100015343762 [1,0,0,0,0,0|3,0,0]=4 32 B9R0.15 CCC[C@H](NCC)C(=O)N 2230a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 33 B9R0.15 CCC[C@H](NCC)C(=O)N 34a_100000729256_100000210202 [1,0,0,0,0,0|2,0,0]=3 34 B9R0.15 CCC[C@H](NCC)C(=O)O 269956a_100000750406_100000210202 [1,0,0,0,0,0|1,0,0]=2 35 B9R0.15 CCC[C@H](NCF)C(=O)N 34a_100000729256_100015361967 [1,0,0,0,0,0|3,0,0]=4 36 B9R0.15 CCC[C@H](NCF)C(=O)O 269956a_100000750406_100015361967 [1,0,0,0,0,0|2,0,0]=3 37 B9R0.15 CCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210202 [1,0,0,0,0,0|2,0,0]=3 38 B9R0.15 CCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210202 [1,0,0,0,0,0|2,0,0]=3 39 B9R0.15 CCN[C@H](COC)C(=O)O 269956a_100011998655_100000210202 [1,0,0,0,0,0|2,0,0]=3 40 B9R0.15 CCOC(OCC)C(=O)C 1458a_100000082760_200000210301 [1,0,0,0,0,0|3,0,0]=4 41 B9R0.15 CCOC(OCC)C(=O)[13CH3] 1458a_100000082760_200025704644 [1,0,0,0,0,0|3,0,0]=4 42 B9R0.15 COC[C@@H](NCF)C(=O)O 269956a_100011998655_100015361967 [1,0,0,0,0,0|3,0,0]=4 43 B9R0.15 CSC[C@H](NCF)C(=O)O 269956a_100011421858_100015361967 [1,0,0,0,0,0|3,0,0]=4 44 B9R0.15 C[Se]C[C@H](NCF)C(=O)O 269956a_100015254316_100015361967 [1,0,0,0,0,0|3,0,0]=4 45 B9R0.29 CCC(=O)C(CC)C(=O)N 1458a_100000210414_100000750255 [1,0,0,0,0,0|1,0,2]=4 46 B9R0.29 CCC(C(=O)C)N(C)CC 1458a_100011345578_200000210301 [1,0,0,0,0,0|3,0,0]=4 47 B9R0.29 CCC(C(=O)N)N(C)CC 2230a_100000225621_100000750255 [1,0,0,0,0,0|3,0,0]=4 48 B9R0.29 CCC(C(=O)N)N(C)CC 269982a_100000225621_100000750255 [1,0,0,0,0,0|3,0,0]=4 49 B9R0.29 CCC(C(=O)[13CH3])N(C)CC 1458a_100011345578_200025704644 [1,0,0,0,0,0|3,0,0]=4 50 B9R0.29 CCC(C)N(CC)C(=O)C 11a_100000732650_100015343762 [1,0,0,0,0,0|3,0,0]=4 51 B9R0.29 CCC(C)N(CC)C(=O)C 1626a_100000732650_100015343762 [1,0,0,0,0,0|3,0,0]=4 52 B9R0.29 CCC(C)N(CC)C(=O)C 240690a_100000732650_100015343762 [1,0,0,0,0,0|3,0,0]=4 53 B9R0.29 CCC(C)N(CC)C(=O)C 527a_100000732650_100103153847 [1,0,0,0,0,0|3,0,0]=4 54 B9R0.29 CCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100000210202 [1,0,0,0,0,0|3,0,0]=4 55 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 2230a_103436537554_100000210202 [1,0,0,0,0,0|3,0,0]=4 56 B9R0.29 CC[C@@H](C(=O)N)N(C)CC 269982a_103436537554_100000204670 [1,0,0,0,0,0|3,0,0]=4 57 B9R0.29 CC[C@H](C)[C@@H](NC)C(=O)O 269956a_100009815163_200000210301 [1,0,0,0,0,0|2,0,0]=3 58 B9R0.29 CC[C@H](C)[C@@H](N[13CH3])C(=O)O 269956a_100009815163_200025704644 [1,0,0,0,0,0|2,0,0]=3 59 B9R0.29 CC[C@H](C)[C@H](NC)C(=O)N 2230a_100000758034_200000210301 [1,0,0,0,0,0|3,0,0]=4 60 B9R0.29 CC[C@H](C)[C@H](N[13CH3])C(=O)N 2230a_100000758034_200025704644 [1,0,0,0,0,0|3,0,0]=4 61 B9R0.29 CN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_200000210301 [1,0,0,0,0,0|3,0,0]=4 62 B9R0.29 CO[C@H](C)[C@H](N[13CH3])C(=O)O 269956a_100015335849_200025704644 [1,0,0,0,0,0|3,0,0]=4 63 B9R0.33 CC(C)[C@@H](NCF)C(=O)O 269956a_100000745019_100015361967 [1,0,0,0,0,0|3,0,0]=4 64 B9R0.33 CC(O)C(NCF)C(=O)O 269956a_100000185852_100015361967 [1,0,0,0,0,0|2,0,0]=3 65 B9R0.33 CCCN(C(=O)C)C(C)C 11a_106256033942_100015343762 [1,0,0,0,0,0|3,0,0]=4 66 B9R0.33 CCCN(C(=O)C)C(C)C 1626a_106256033942_100015343762 [1,0,0,0,0,0|3,0,0]=4 67 B9R0.33 CCCN(C(=O)C)C(C)C 240690a_106256033942_100015343762 [1,0,0,0,0,0|3,0,0]=4 68 B9R0.33 CCCN(C(=O)C)C(C)C 527a_106256033942_100103153847 [1,0,0,0,0,0|3,0,0]=4 69 B9R0.33 CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210202 [1,0,0,0,0,0|1,0,0]=2 70 B9R0.33 CCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210202 [1,0,0,0,0,0|2,0,0]=3 71 B9R0.33 CCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210202 [1,0,0,0,0,0|2,0,0]=3 72 B9R0.33 CCOC(C(=O)N)C(C)C 34a_100121572206_100000230017 [1,0,0,0,0,0|3,0,0]=4 73 B9R0.33 CCSC(C(=O)C)C(C)C 1458a_100000750736_200000210301 [1,0,0,0,0,0|3,0,0]=4 74 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000210202_100000230017 [1,0,0,0,0,0|3,0,0]=4 75 B9R0.33 CCSC(C(=O)N)C(C)C 62a_100000230017_100000210202 [1,0,0,0,0,0|3,0,0]=4 76 B9R0.33 CCSC(C(=O)[13CH3])C(C)C 1458a_100000750736_200025704644 [1,0,0,0,0,0|3,0,0]=4 77 B11R0.41 C=CC(=O)N(CCC)C(C)CC 1626a_200011216551_100000185746 [0,1,0,0,0,0|3,0,0]=4 78 B11R0.41 C=CC(=O)N(CCC)C(C)CC 240690a_200011216551_200121576911 [0,1,0,0,0,0|3,0,0]=4 79 B11R0.41 CCC(=O)C(COC)C(=O)OC 1458a_100000210414_100000717350 [0,1,0,0,0,0|1,0,2]=4 80 B11R0.41 CCCC(C(=O)CC)C(=O)OC 1458a_100000210414_200009843822 [0,1,0,0,0,0|0,0,2]=3 81 B11R0.41 CCCC(C(=O)CO)C(=O)OC 1458a_100000210174_200009843822 [0,1,0,0,0,0|1,0,2]=4 82 B11R0.41 CCCC(C(=O)OC)N(C)CC 2230a_100000225621_200009843822 [0,1,0,0,0,0|2,0,0]=3 83 B11R0.41 CCCC(C(=O)OC)N(C)CC 269982a_100000225621_200009843822 [0,1,0,0,0,0|2,0,0]=3 84 B11R0.41 CCCN(C(=O)CC)C(C)CC 11a_200011216551_100000210414 [0,1,0,0,0,0|3,0,0]=4 85 B11R0.41 CCCN(C(=O)CC)C(C)CC 1626a_200011216551_100000210414 [0,1,0,0,0,0|3,0,0]=4 86 B11R0.41 CCCN(C(=O)CC)C(C)CC 240690a_200011216551_100000210414 [0,1,0,0,0,0|3,0,0]=4 87 B11R0.41 CCCN(C(=O)CC)C(C)CC 527a_200011216551_100000210414 [0,1,0,0,0,0|3,0,0]=4 88 B11R0.41 CCCN(C(=O)CO)C(C)CC 240690a_200011216551_100000210174 [0,1,0,0,0,0|2,0,0]=3 89 B11R0.41 CCCN(C(=O)CO)C(C)CC 527a_200011216551_100000210174 [0,1,0,0,0,0|2,0,0]=3 90 B11R0.41 CCCN(C(=O)CO)C(C)CO 240690a_100011303929_100000210174 [0,1,0,0,0,0|3,0,0]=4 91 B11R0.41 CCCN(C(=O)NC)C(C)CC 2708a_100102657272_200011216551 [0,1,0,0,0,0|3,0,0]=4 92 B11R0.41 CCCN(C(=O)NC)C(C)CC 273464a_100102657272_200011216551 [0,1,0,0,0,0|3,0,0]=4 93 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210202 [0,1,0,0,0,0|1,0,2]=4 94 B11R0.41 CCSC(C(=O)CC)C(=O)OC 62a_100000210202_100000056495 [0,1,0,0,0,0|1,0,2]=4 95 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 11a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 96 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 1626a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 97 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 240690a_200015185082_100015343762 [0,1,0,0,0,0|3,0,0]=4 98 B11R0.44 CCCN(C(=O)C)C(C)C(C)C 527a_200015185082_100103153847 [0,1,0,0,0,0|3,0,0]=4 99 B11R0.57 CCCC(C(=O)C)C(=O)OCC 1458a_100000070787_100000695697 [0,1,0,0,0,0|1,0,2]=4 100 B11R0.57 CCC[C@@H](N)C(OCC)C(=O)N 34a_200132311066_100000210202 [0,1,0,0,0,0|3,0,0]=4 101 B11R0.115 CC[C@H](C)[C@@H](NC(C)C)C(=O)O 269956a_100009815163_100000210206 [0,1,0,0,0,0|2,0,0]=3 102 B11R0.115 CC[C@H](C)[C@H](NC(C)C)C(=O)N 2230a_100000758034_100000210206 [0,1,0,0,0,0|3,0,0]=4 103 B11R0.115 CO[C@H](C)[C@H](NC(C)C)C(=O)O 269956a_100015335849_100000210206 [0,1,0,0,0,0|3,0,0]=4 104 B11R0.121 CCC(C)C(C(=O)O)N(C)CC 269956a_100000694001_100000210202 [0,1,0,0,0,0|2,0,0]=3 105 B11R0.121 CCC(C)C(C(=O)O)N(C)CF 269956a_100000694001_100015361967 [0,1,0,0,0,0|3,0,0]=4 106 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 11a_100000210998_100015343762 [0,1,0,0,0,0|3,0,0]=4 107 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 1626a_100000210998_100015343762 [0,1,0,0,0,0|3,0,0]=4 108 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 240690a_100000210998_100015343762 [0,1,0,0,0,0|3,0,0]=4 109 B11R0.121 CCC(C)N(C(=O)C)C(C)CC 527a_100000210998_100103153847 [0,1,0,0,0,0|3,0,0]=4 110 B11R0.138 CCCN(C(=O)C)C(CC)CC 11a_100015185089_100015343762 [0,1,0,0,0,0|3,0,0]=4 111 B11R0.138 CCCN(C(=O)C)C(CC)CC 1626a_100015185089_100015343762 [0,1,0,0,0,0|3,0,0]=4 112 B11R0.138 CCCN(C(=O)C)C(CC)CC 240690a_100015185089_100015343762 [0,1,0,0,0,0|3,0,0]=4 113 B11R0.138 CCCN(C(=O)C)C(CC)CC 527a_100015185089_100103153847 [0,1,0,0,0,0|3,0,0]=4 114 B11R0.167 C#CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000184674 [0,1,0,0,0,0|1,0,2]=4 115 B11R0.167 C=CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210623 [0,1,0,0,0,0|1,0,2]=4 116 B11R0.167 CCC(C)N(CCOC)C(=O)C 11a_200000740884_100015343762 [0,1,0,0,0,0|3,0,0]=4 117 B11R0.167 CCC(C)N(CCOC)C(=O)C 1626a_200000740884_100015343762 [0,1,0,0,0,0|3,0,0]=4 118 B11R0.167 CCC(C)N(CCOC)C(=O)C 240690a_200000740884_100015343762 [0,1,0,0,0,0|3,0,0]=4 119 B11R0.167 CCC(C)N(CCOC)C(=O)C 527a_200000740884_100103153847 [0,1,0,0,0,0|3,0,0]=4 120 B11R0.167 CCCCC(C(=O)N)C(=O)CC 1458a_100000210414_100000748834 [0,1,0,0,0,0|1,0,2]=4 121 B11R0.167 CCCCC(C(=O)N)N(C)CC 2230a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 122 B11R0.167 CCCCC(C(=O)N)N(C)CC 269982a_100000225621_100000748834 [0,1,0,0,0,0|3,0,0]=4 123 B11R0.167 CCCCN(C(=O)C)C(C)CC 11a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 124 B11R0.167 CCCCN(C(=O)C)C(C)CC 1626a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 125 B11R0.167 CCCCN(C(=O)C)C(C)CC 240690a_100000207357_100015343762 [0,1,0,0,0,0|3,0,0]=4 126 B11R0.167 CCCCN(C(=O)C)C(C)CC 527a_100000207357_100103153847 [0,1,0,0,0,0|3,0,0]=4 127 B11R0.167 CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210207 [0,1,0,0,0,0|1,0,0]=2 128 B11R0.167 CCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210303 [0,1,0,0,0,0|2,0,0]=3 129 B11R0.167 CCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210207 [0,1,0,0,0,0|2,0,0]=3 130 B11R0.167 CC[C@H](C)[C@@H](NCC#N)C(=O)O 269956a_100009815163_100011215382 [0,1,0,0,0,0|2,0,1]=4 131 B11R0.167 CC[C@H](C)[C@@H](NCC=O)C(=O)O 269956a_100009815163_200015260668 [0,1,0,0,0,0|2,0,1]=4 132 B11R0.167 CC[C@H](C)[C@@H](NCCF)C(=O)O 269956a_100009815163_100011217306 [0,1,0,0,0,0|2,0,0]=3 133 B11R0.167 CC[C@H](C)[C@@H](NCCO)C(=O)O 269956a_100009815163_100000211926 [0,1,0,0,0,0|2,0,0]=3 134 B11R0.167 CC[C@H](C)[C@@H](NCOC)C(=O)O 269956a_100009815163_100000766300 [0,1,0,0,0,0|2,0,0]=3 135 B11R0.167 CC[C@H](C)[C@@H](NCSC)C(=O)O 269956a_100009815163_100011218213 [0,1,0,0,0,0|2,0,0]=3 136 B11R0.167 CC[C@H](C)[C@H](NCCF)C(=O)N 2230a_100000758034_100011217306 [0,1,0,0,0,0|3,0,0]=4 137 B11R0.167 CC[C@H](C)[C@H](NCCO)C(=O)N 2230a_100000758034_100000211926 [0,1,0,0,0,0|3,0,0]=4 138 B11R0.167 CC[C@H](C)[C@H](NCOC)C(=O)N 2230a_100000758034_100000766300 [0,1,0,0,0,0|3,0,0]=4 139 B11R0.167 CC[C@H](C)[C@H](NCSC)C(=O)N 2230a_100000758034_100011218213 [0,1,0,0,0,0|3,0,0]=4 140 B11R0.167 COCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000766300 [0,1,0,0,0,0|3,0,0]=4 141 B11R0.167 CO[C@H](C)[C@H](NCCF)C(=O)O 269956a_100015335849_100011217306 [0,1,0,0,0,0|3,0,0]=4 142 B11R0.167 CO[C@H](C)[C@H](NCCO)C(=O)O 269956a_100015335849_100000211926 [0,1,0,0,0,0|3,0,0]=4 143 B11R0.167 CO[C@H](C)[C@H](NCSC)C(=O)O 269956a_100015335849_100011218213 [0,1,0,0,0,0|3,0,0]=4 144 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)F 269956a_100016993324_100000210202 [0,0,0,1,0,0|3,0,0]=4 145 B11R1.49 CCN1C[C@H](C[C@H]1C(=O)O)O 269956a_100000750407_100000210202 [0,0,0,1,0,0|3,0,0]=4 146 B11R1.53 CCC1CCCCN1C(=O)C 11a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 147 B11R1.53 CCC1CCCCN1C(=O)C 1626a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 148 B11R1.53 CCC1CCCCN1C(=O)C 240690a_100000210034_100015343762 [0,0,0,1,0,0|3,0,0]=4 149 B11R1.53 CCC1CCCCN1C(=O)C 527a_100000210034_100103153847 [0,0,0,1,0,0|3,0,0]=4 150 B11R1.53 CCN1CCCCC1C(=O)C 1458a_100000743832_200000210301 [0,0,0,1,0,0|3,0,0]=4 151 B11R1.53 CCN1CCCCC1C(=O)N 2230a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 152 B11R1.53 CCN1CCCCC1C(=O)N 269982a_100000181395_100000204670 [0,0,0,1,0,0|3,0,0]=4 153 B11R1.53 CCN1CCCCC1C(=O)N 34a_100000181395_100000210202 [0,0,0,1,0,0|3,0,0]=4 154 B11R1.53 CCN1CCCCC1C(=O)[13CH3] 1458a_100000743832_200025704644 [0,0,0,1,0,0|3,0,0]=4 155 B11R1.53 CCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210202 [0,0,0,1,0,0|2,0,0]=3 156 B11R1.53 CCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210202 [0,0,0,1,0,0|3,0,0]=4 157 B11R1.53 CCN1CCSCC1C(=O)O 269956a_100011346106_100000210202 [0,0,0,1,0,0|3,0,0]=4 158 B11R1.53 CCN1CSCCC1C(=O)O 269956a_100015185162_100000210202 [0,0,0,1,0,0|3,0,0]=4 159 B11R1.53 CN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200000210301 [0,0,0,1,0,0|2,0,0]=3 160 B11R1.53 O=C(O)[C@H]1CCCCN1CF 269956a_100000763471_100015361967 [0,0,0,1,0,0|3,0,0]=4 161 B11R1.53 [13CH3]N[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_200025704644 [0,0,0,1,0,0|2,0,0]=3 162 B11R1.143 CC(=O)C1CCCCCC1=O 1458a_100000070787_100000243696 [0,0,0,1,0,0|1,0,2]=4 163 B11R1.143 CC(=O)C1CCCCCN1C 1458a_100015187800_200000210301 [0,0,0,1,0,0|3,0,0]=4 164 B11R1.143 CN1CCCCCC1C(=O)O 269956a_100000758484_200000210301 [0,0,0,1,0,0|2,0,0]=3 165 B11R1.143 CN1CCCCCC1C(=O)[13CH3] 1458a_100015187800_200025704644 [0,0,0,1,0,0|3,0,0]=4 166 B11R1.143 [13CH3]N1CCCCCC1C(=O)O 269956a_100000758484_200025704644 [0,0,0,1,0,0|2,0,0]=3 167 B11R1.159 CC1CCCC(N1C)C(=O)O 269956a_100000704260_200000210301 [0,0,0,1,0,0|2,0,0]=3 168 B11R1.159 CC1CCCC(N1[13CH3])C(=O)O 269956a_100000704260_200025704644 [0,0,0,1,0,0|2,0,0]=3 169 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,0,0,1,0,0|3,0,0]=4 170 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,0,0,1,0,0|3,0,0]=4 171 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,0,0,1,0,0|2,0,0]=3 172 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,0,0,1,0,0|2,0,0]=3 173 B11R1.222 CCC(=O)C1CCCCC1=O 1458a_100000210414_100000204591 [0,0,0,1,0,0|1,0,2]=4 174 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000087122_100000210202 [0,0,0,1,0,0|1,0,2]=4 175 B11R1.222 CCC(=O)C1CCCNC1=O 1458a_100000210414_100000687798 [0,0,0,1,0,0|1,0,2]=4 176 B11R1.222 CCN(C)C1CCCCC1=O 269982a_100000225621_100000204591 [0,0,0,1,0,0|3,0,0]=4 177 B11R1.222 CCN(C)C1CCCNC1=O 2230a_100000225621_100000687798 [0,0,0,1,0,0|3,0,0]=4 178 B11R1.222 CCN(C)C1CCCNC1=O 269982a_100000225621_100000687798 [0,0,0,1,0,0|3,0,0]=4 179 B11R1.225 CC1CC(C(=O)O1)C(=O)CO 1458a_100000210174_200000216747 [0,0,0,1,0,0|1,0,2]=4 180 B11R1.225 CCC(=O)C1CC(OC1=O)C 1458a_100000210414_200000216747 [0,0,0,1,0,0|0,0,2]=3 181 B11R1.225 CCN(C)C1CC(OC1=O)C 2230a_100000225621_200000216747 [0,0,0,1,0,0|2,0,0]=3 182 B11R1.225 CCN(C)C1CC(OC1=O)C 269982a_100000225621_200000216747 [0,0,0,1,0,0|2,0,0]=3 183 B11R1.605 CCCC1C(=O)NCCN1C 2230a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 184 B11R1.605 CCCC1C(=O)NCCN1C 269982a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 185 B11R1.605 CCCC1C(=O)NCCN1C 34a_200000695202_200000210301 [0,0,0,1,0,0|3,0,0]=4 186 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 2230a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 187 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 269982a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 188 B11R1.605 CCCC1C(=O)NCCN1[13CH3] 34a_200000695202_200025704644 [0,0,0,1,0,0|3,0,0]=4 189 B11R1.760 CCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210202 [0,0,0,1,0,0|2,0,0]=3 190 B11R1.760 O=C(O)C(NCF)C1CCC1 269956a_100000765838_100015361967 [0,0,0,1,0,0|3,0,0]=4 191 B11R1.879 CCC(=O)C1(CCC1)C(=O)N 1458a_100000751621_100000210202 [0,0,0,1,0,0|1,0,2]=4 192 B11R0.39 CCC(C)N(CCO)CC(=O)O 269956a_100000747938_100000758301 [0,0,0,0,0,1|3,0,0]=4 193 B11R0.39 CCCN(CC(=O)N)C(C)CC 2230a_200011216551_100000747473 [0,0,0,0,0,1|3,0,0]=4 194 B11R0.39 CCCN(CC(=O)N)C(C)CC 269982a_200011216551_100000187820 [0,0,0,0,0,1|3,0,0]=4 195 B11R0.39 CCCN(CC(=O)[O-])C(C)CC 269982a_200011216551_100020667443 [0,0,0,0,0,1|2,0,1]=4 196 B11R0.39 CCC[C@H](NC(=O)C)C(=O)CC 1458a_100011995990_100000210202 [0,0,0,0,0,1|1,0,2]=4 197 B11R0.39 CCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210202 [0,0,0,0,0,1|2,0,0]=3 198 B11R0.39 CC[C@H](C)[C@@H](CC(=O)O)NCF 269956a_100020625877_100015361967 [0,0,0,0,0,1|3,0,0]=4 199 B11R0.236 C#CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_200000035995 [0,0,0,0,0,1|1,0,2]=4 200 B11R0.236 C=CC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100011215867 [0,0,0,0,0,1|1,0,2]=4 201 B11R0.236 CCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000758301 [0,0,0,0,0,1|2,0,0]=3 202 B11R0.236 CCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000758301 [0,0,0,0,0,1|2,0,0]=3 203 B11R0.236 CCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000758301 [0,0,0,0,0,1|2,0,0]=3 204 B11R0.236 CCCC(OC(C)CC)C(=O)N 34a_100011626294_100011215416 [0,0,0,0,0,1|2,0,0]=3 205 B11R0.236 CCCC(OC(C)CC)C(=O)N 7a_100011626294_100000758301 [0,0,0,0,0,1|2,0,0]=3 206 B11R0.236 CCCC(OC(C)CO)C(=O)N 34a_100011626294_100012180447 [0,0,0,0,0,1|3,0,0]=4 207 B11R0.236 CCCC(OC(C)CO)C(=O)N 7a_100011626294_100012180447 [0,0,0,0,0,1|3,0,0]=4 208 B11R0.236 CCCN(CC(O)CO)C(=O)C 240690a_200000156893_100015343762 [0,0,0,0,0,1|3,0,0]=4 209 B11R0.236 CCCN(CC(O)CO)C(=O)C 527a_200000156893_100103153847 [0,0,0,0,0,1|3,0,0]=4 210 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 11a_100000729256_100000210414 [0,0,0,0,0,1|1,0,2]=4 211 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 1626a_100000729256_100000210414 [0,0,0,0,0,1|1,0,2]=4 212 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 240690a_100000729256_100000210414 [0,0,0,0,0,1|1,0,2]=4 213 B11R0.236 CCC[C@H](NC(=O)CC)C(=O)N 527a_100000729256_100000210414 [0,0,0,0,0,1|1,0,2]=4 214 B11R0.236 CCC[C@H](NC(C)C#N)C(=O)O 269956a_100000750406_100000184139 [0,0,0,0,0,1|2,0,1]=4 215 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 2230a_100000729256_100000758301 [0,0,0,0,0,1|2,0,0]=3 216 B11R0.236 CCC[C@H](NC(C)CC)C(=O)N 34a_100000729256_100011215416 [0,0,0,0,0,1|2,0,0]=3 217 B11R0.236 CCC[C@H](NC(C)CC)C(=O)O 269956a_100000750406_100000758301 [0,0,0,0,0,1|1,0,0]=2 218 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 2230a_100000729256_100012180447 [0,0,0,0,0,1|3,0,0]=4 219 B11R0.236 CCC[C@H](NC(C)CO)C(=O)N 34a_100000729256_100012180447 [0,0,0,0,0,1|3,0,0]=4 220 B11R0.236 CCC[C@H](NC(C)OC)C(=O)O 269956a_100000750406_100009879195 [0,0,0,0,0,1|2,0,0]=3 221 B11R0.236 CCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000750406_100016084084 [0,0,0,0,0,1|2,0,0]=3 222 B11R0.236 COC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100009879195 [0,0,0,0,0,1|3,0,0]=4 223 B11R0.236 COC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009879195 [0,0,0,0,0,1|3,0,0]=4 224 B11R0.236 COC[C@@H](NC(C)OC)C(=O)O 269956a_100011998655_100009879195 [0,0,0,0,0,1|3,0,0]=4 225 B11R0.236 COC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100011998655_100016084084 [0,0,0,0,0,1|3,0,0]=4 226 B11R0.236 CSC[C@H](N[C@H](C)CO)C(=O)O 269956a_100011421858_100016084084 [0,0,0,0,0,1|3,0,0]=4 227 B11R0.236 C[Se]C[C@H](N[C@H](C)CO)C(=O)O 269956a_100015254316_100016084084 [0,0,0,0,0,1|3,0,0]=4 228 B8R0.3 CCC(O)C(=O)CCF 1458a_100011196387_100011217306 [2,0,0,0,0,0|1,0,1]=4 229 B8R0.3 CCC(O)C(=O)CCO 1458a_100011196387_100000211926 [2,0,0,0,0,0|1,0,1]=4 230 B8R0.3 CCCC(=O)C(C)CC 1458a_100000211992_100000758301 [2,0,0,0,0,0|1,0,1]=4 231 B8R0.3 CCCC(=O)C(C)CC 1458a_100011192722_100000210303 [2,0,0,0,0,0|1,0,1]=4 232 B8R0.3 CCCC(=O)C(O)CC 1458a_100011196387_100000210303 [2,0,0,0,0,0|0,0,1]=3 233 B8R0.3 CCCC(=O)C(O)CO 1458a_100011215603_100000210303 [2,0,0,0,0,0|1,0,1]=4 234 B8R0.3 CCC[C@H](O)C(=O)CC 1458a_100009822183_100000210202 [2,0,0,0,0,0|0,0,2]=4 235 B8R0.3 CCNC(=O)C(O)CC 240690a_100015525214_100011196387 [2,0,0,0,0,0|1,0,1]=4 236 B8R0.15 CCCC(CC)C(=O)C 1458a_100000070787_100011219200 [2,0,0,0,0,0|1,0,0]=3 237 B8R0.15 CCCC(CC)C(=O)C 1458a_100011416436_200000210301 [2,0,0,0,0,0|1,0,0]=3 238 B8R0.15 CCCC(CC)C(=O)[13CH3] 1458a_100011416436_200025704644 [2,0,0,0,0,0|1,0,0]=3 239 B8R0.15 CCCC(OC)C(=O)N 34a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 240 B8R0.15 CCCC(OC)C(=O)N 7a_100011626294_200000210301 [2,0,0,0,0,0|2,0,0]=4 241 B8R0.15 CCCC(O[13CH3])C(=O)N 34a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 242 B8R0.15 CCCC(O[13CH3])C(=O)N 7a_100011626294_200025704644 [2,0,0,0,0,0|2,0,0]=4 243 B8R0.15 CCCN(CC)C(=O)C 11a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 244 B8R0.15 CCCN(CC)C(=O)C 1626a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 245 B8R0.15 CCCN(CC)C(=O)C 240690a_100000226822_100015343762 [2,0,0,0,0,0|2,0,0]=4 246 B8R0.15 CCCN(CC)C(=O)C 527a_100000226822_100103153847 [2,0,0,0,0,0|2,0,0]=4 247 B8R0.15 CCC[C@H](NC)C(=O)N 2230a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 248 B8R0.15 CCC[C@H](NC)C(=O)N 34a_100000729256_200000210301 [2,0,0,0,0,0|2,0,0]=4 249 B8R0.15 CCC[C@H](NC)C(=O)O 269956a_100000750406_200000210301 [2,0,0,0,0,0|1,0,0]=3 250 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 2230a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 251 B8R0.15 CCC[C@H](N[13CH3])C(=O)N 34a_100000729256_200025704644 [2,0,0,0,0,0|2,0,0]=4 252 B8R0.15 CCC[C@H](N[13CH3])C(=O)O 269956a_100000750406_200025704644 [2,0,0,0,0,0|1,0,0]=3 253 B8R0.15 CCNC(CC)C(=O)N 2230a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 254 B8R0.15 CCNC(CC)C(=O)N 2230a_100015525214_100000750255 [2,0,0,0,0,0|2,0,0]=4 255 B8R0.15 CCNC(CC)C(=O)N 34a_100000733705_100000210202 [2,0,0,0,0,0|2,0,0]=4 256 B8R0.15 CCNC(CO)C(=O)O 269956a_100000187304_100000210202 [2,0,0,0,0,0|1,0,0]=3 257 B8R0.15 CCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 258 B8R0.15 CCN[C@@H](CO)C(=O)N 34a_100000729942_100000210202 [2,0,0,0,0,0|2,0,0]=4 259 B8R0.15 CCN[C@H](CC)C(=O)O 269956a_100000747097_100000210202 [2,0,0,0,0,0|1,0,0]=3 260 B8R0.15 CCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100000210202 [2,0,0,0,0,0|1,0,1]=4 261 B8R0.15 CCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000210202 [2,0,0,0,0,0|1,0,1]=4 262 B8R0.15 CCOC(CC)C(=O)N 34a_100121572206_100000750255 [2,0,0,0,0,0|2,0,0]=4 263 B8R0.15 CCSC(CC)C(=O)N 62a_100000210202_100000750255 [2,0,0,0,0,0|2,0,0]=4 264 B8R0.15 CCSC(CC)C(=O)N 62a_100000750255_100000210202 [2,0,0,0,0,0|2,0,0]=4 265 B8R0.15 CC[C@@H](NCF)C(=O)O 269956a_100000747097_100015361967 [2,0,0,0,0,0|2,0,0]=4 266 B8R0.15 CN[C@@H](CSC)C(=O)O 269956a_100011421858_200000210301 [2,0,0,0,0,0|2,0,0]=4 267 B8R0.15 CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_200000210301 [2,0,0,0,0,0|2,0,0]=4 268 B8R0.15 CN[C@H](COC)C(=O)O 269956a_100011998655_200000210301 [2,0,0,0,0,0|2,0,0]=4 269 B8R0.15 COC[C@@H](N[13CH3])C(=O)O 269956a_100011998655_200025704644 [2,0,0,0,0,0|2,0,0]=4 270 B8R0.15 CSC[C@H](N[13CH3])C(=O)O 269956a_100011421858_200025704644 [2,0,0,0,0,0|2,0,0]=4 271 B8R0.15 C[Se]C[C@H](N[13CH3])C(=O)O 269956a_100015254316_200025704644 [2,0,0,0,0,0|2,0,0]=4 272 B8R0.15 O=C(O)C(CO)NCF 269956a_100000187304_100015361967 [2,0,0,0,0,0|2,0,0]=4 273 B8R0.22 C=CC(CCC)OCC 34a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 274 B8R0.22 C=CC(CCC)OCC 7a_100011216692_100000210202 [2,0,0,0,0,0|2,0,0]=4 275 B8R0.22 CCCC(CCC)NC 2230a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 276 B8R0.22 CCCC(CCC)NC 270004a_106832991635_100000210088 [2,0,0,0,0,0|2,0,0]=4 277 B8R0.22 CCCC(CCC)NC 34a_100011207992_200000210301 [2,0,0,0,0,0|2,0,0]=4 278 B8R0.22 CCCC(CCC)NC 34a_100102657272_200011218217 [2,0,0,0,0,0|2,0,0]=4 279 B8R0.22 CCCC(CCC)NC 7a_106832991635_200011218217 [2,0,0,0,0,0|2,0,0]=4 280 B8R0.22 CCCC(CCC)N[13CH3] 2230a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 281 B8R0.22 CCCC(CCC)N[13CH3] 34a_100011207992_200025704644 [2,0,0,0,0,0|2,0,0]=4 282 B8R0.22 CCCC(CCC)OC 34a_100138415774_200011218217 [2,0,0,0,0,0|2,0,0]=4 283 B8R0.22 CCCC(CCC)OC 34a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 284 B8R0.22 CCCC(CCC)OC 7a_200011218534_200000210301 [2,0,0,0,0,0|2,0,0]=4 285 B8R0.22 CCCC(CCC)O[13CH3] 34a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 286 B8R0.22 CCCC(CCC)O[13CH3] 7a_200011218534_200025704644 [2,0,0,0,0,0|2,0,0]=4 287 B8R0.22 CCCC(CCC)SC 62a_200000210301_200011218217 [2,0,0,0,0,0|2,0,0]=4 288 B8R0.22 CCCC(CCC)SC 62a_200011218217_200000210301 [2,0,0,0,0,0|2,0,0]=4 289 B8R0.22 CCCC(CCC)S[13CH3] 62a_200011218217_200025704644 [2,0,0,0,0,0|2,0,0]=4 290 B8R0.22 CCCC(CCC)S[13CH3] 62a_200025704644_200011218217 [2,0,0,0,0,0|2,0,0]=4 291 B8R0.22 CCC[C@@H](CO)NCC 2230a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 292 B8R0.22 CCC[C@@H](CO)NCC 34a_100000732646_100000210202 [2,0,0,0,0,0|1,0,1]=4 293 B8R0.2 CCN(C)C(C)C(=O)O 269956a_100000749554_100000210202 [2,0,0,0,0,0|2,0,0]=4 294 B8R0.18 CC(C)[C@@H](N[13CH3])C(=O)O 269956a_100000745019_200025704644 [2,0,0,0,0,0|2,0,0]=4 295 B8R0.18 CC(O)C(N[13CH3])C(=O)O 269956a_100000185852_200025704644 [2,0,0,0,0,0|1,0,0]=3 296 B8R0.18 CNC(C(=O)O)C(C)O 269956a_100000185852_200000210301 [2,0,0,0,0,0|1,0,0]=3 297 B8R0.18 CN[C@@H](C(=O)O)C(C)C 269956a_100000745019_200000210301 [2,0,0,0,0,0|2,0,0]=4 298 B8R0.18 CN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_200000210301 [2,0,0,0,0,0|2,0,0]=4 299 B8R0.18 C[C@@H](O)[C@H](N[13CH3])C(=O)N 2230a_100000003557_200025704644 [2,0,0,0,0,0|2,0,0]=4 300 B10R0.73 CCCN(CC=O)C(C)CC 2230a_200011216551_200015260668 [1,1,0,0,0,0|2,0,0]=4 301 B10R0.73 CCCN(CC=O)C(C)CC 269982a_200011216551_200015260668 [1,1,0,0,0,0|2,0,0]=4 302 B10R0.85 CCCN[C@H](CO)[C@@H](C)CC 2230a_100011827617_100000210303 [1,1,0,0,0,0|1,0,1]=4 303 B10R0.23 CCCC(OC(C)C)C(=O)N 34a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 304 B10R0.23 CCCC(OC(C)C)C(=O)N 7a_100011626294_100000210206 [1,1,0,0,0,0|2,0,0]=4 305 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 2230a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 306 B10R0.23 CCC[C@H](NC(C)C)C(=O)N 34a_100000729256_100000210206 [1,1,0,0,0,0|2,0,0]=4 307 B10R0.23 CCC[C@H](NC(C)C)C(=O)O 269956a_100000750406_100000210206 [1,1,0,0,0,0|1,0,0]=3 308 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 309 B10R0.23 CCN[C@@H](CC(C)C)C(=O)N 34a_100016989234_100000210202 [1,1,0,0,0,0|2,0,0]=4 310 B10R0.23 CCN[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000210202 [1,1,0,0,0,0|2,0,0]=4 311 B10R0.23 COC[C@@H](NC(C)C)C(=O)O 269956a_100011998655_100000210206 [1,1,0,0,0,0|2,0,0]=4 312 B10R0.23 CSC[C@H](NC(C)C)C(=O)O 269956a_100011421858_100000210206 [1,1,0,0,0,0|2,0,0]=4 313 B10R0.23 C[Se]C[C@H](NC(C)C)C(=O)O 269956a_100015254316_100000210206 [1,1,0,0,0,0|2,0,0]=4 314 B10R0.88 C#CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000184674 [1,1,0,0,0,0|0,0,2]=4 315 B10R0.88 C=CCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210623 [1,1,0,0,0,0|0,0,2]=4 316 B10R0.88 CCCC(OCCF)C(=O)N 34a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 317 B10R0.88 CCCC(OCCF)C(=O)N 7a_100011626294_100011217306 [1,1,0,0,0,0|2,0,0]=4 318 B10R0.88 CCCC(OCCO)C(=O)N 34a_100011626294_100000211926 [1,1,0,0,0,0|2,0,0]=4 319 B10R0.88 CCCC(OCCO)C(=O)N 7a_100011626294_100000211926 [1,1,0,0,0,0|2,0,0]=4 320 B10R0.88 CCCC(OCSC)C(=O)N 34a_100011626294_100011218213 [1,1,0,0,0,0|2,0,0]=4 321 B10R0.88 CCCCC(CCC)C(=O)C 1458a_100000070787_100000211913 [1,1,0,0,0,0|1,0,0]=3 322 B10R0.88 CCCCC(NCC)C(=O)N 2230a_100015525214_100000748834 [1,1,0,0,0,0|2,0,0]=4 323 B10R0.88 CCCCC(OCC)C(=O)N 34a_100121572206_100000748834 [1,1,0,0,0,0|2,0,0]=4 324 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000210202_100000748834 [1,1,0,0,0,0|2,0,0]=4 325 B10R0.88 CCCCC(SCC)C(=O)N 62a_100000748834_100000210202 [1,1,0,0,0,0|2,0,0]=4 326 B10R0.88 CCCCN(CCC)C(=O)C 11a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 327 B10R0.88 CCCCN(CCC)C(=O)C 1626a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 328 B10R0.88 CCCCN(CCC)C(=O)C 240690a_200000207744_100015343762 [1,1,0,0,0,0|2,0,0]=4 329 B10R0.88 CCCCN(CCC)C(=O)C 527a_200000207744_100103153847 [1,1,0,0,0,0|2,0,0]=4 330 B10R0.88 CCCC[C@H](NCC)C(=O)N 2230a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 331 B10R0.88 CCCC[C@H](NCC)C(=O)N 34a_100000124899_100000210202 [1,1,0,0,0,0|2,0,0]=4 332 B10R0.88 CCCN(CCOC)C(=O)C 11a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 333 B10R0.88 CCCN(CCOC)C(=O)C 1626a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 334 B10R0.88 CCCN(CCOC)C(=O)C 240690a_200011192371_100015343762 [1,1,0,0,0,0|2,0,0]=4 335 B10R0.88 CCCN(CCOC)C(=O)C 527a_200011192371_100103153847 [1,1,0,0,0,0|2,0,0]=4 336 B10R0.88 CCCN[C@@H](CCC)C(=O)N 2230a_100000729256_100000210303 [1,1,0,0,0,0|1,0,0]=3 337 B10R0.88 CCCN[C@@H](CCC)C(=O)N 34a_100000729256_100000210303 [1,1,0,0,0,0|1,0,0]=3 338 B10R0.88 CCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100000210207 [1,1,0,0,0,0|0,0,0]=2 339 B10R0.88 CCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000210207 [1,1,0,0,0,0|1,0,0]=3 340 B10R0.88 CCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210207 [1,1,0,0,0,0|1,0,0]=3 341 B10R0.88 CCCN[C@H](COC)C(=O)O 269956a_100011998655_100000210207 [1,1,0,0,0,0|1,0,0]=3 342 B10R0.88 CCCOC(CCC)C(=O)N 34a_100011626294_100000210303 [1,1,0,0,0,0|1,0,0]=3 343 B10R0.88 CCCOC(CCC)C(=O)N 7a_100011626294_100000210303 [1,1,0,0,0,0|1,0,0]=3 344 B10R0.88 CCC[C@H](NCC#N)C(=O)O 269956a_100000750406_100011215382 [1,1,0,0,0,0|1,0,1]=4 345 B10R0.88 CCC[C@H](NCC=O)C(=O)O 269956a_100000750406_200015260668 [1,1,0,0,0,0|1,0,1]=4 346 B10R0.88 CCC[C@H](NCCF)C(=O)N 2230a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 347 B10R0.88 CCC[C@H](NCCF)C(=O)N 34a_100000729256_100011217306 [1,1,0,0,0,0|2,0,0]=4 348 B10R0.88 CCC[C@H](NCCF)C(=O)O 269956a_100000750406_100011217306 [1,1,0,0,0,0|1,0,0]=3 349 B10R0.88 CCC[C@H](NCCO)C(=O)N 2230a_100000729256_100000211926 [1,1,0,0,0,0|2,0,0]=4 350 B10R0.88 CCC[C@H](NCCO)C(=O)N 34a_100000729256_100000211926 [1,1,0,0,0,0|2,0,0]=4 351 B10R0.88 CCC[C@H](NCCO)C(=O)O 269956a_100000750406_100000211926 [1,1,0,0,0,0|1,0,0]=3 352 B10R0.88 CCC[C@H](NCOC)C(=O)N 2230a_100000729256_100000766300 [1,1,0,0,0,0|2,0,0]=4 353 B10R0.88 CCC[C@H](NCOC)C(=O)O 269956a_100000750406_100000766300 [1,1,0,0,0,0|1,0,0]=3 354 B10R0.88 CCC[C@H](NCSC)C(=O)N 2230a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 355 B10R0.88 CCC[C@H](NCSC)C(=O)N 34a_100000729256_100011218213 [1,1,0,0,0,0|2,0,0]=4 356 B10R0.88 CCC[C@H](NCSC)C(=O)O 269956a_100000750406_100011218213 [1,1,0,0,0,0|1,0,0]=3 357 B10R0.88 CCN[C@@H](CCSC)C(=O)N 2230a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 358 B10R0.88 CCN[C@@H](CCSC)C(=O)N 34a_100000119342_100000210202 [1,1,0,0,0,0|2,0,0]=4 359 B10R0.88 CCN[C@@H](CCSC)C(=O)O 269956a_100000743919_100000210202 [1,1,0,0,0,0|1,0,0]=3 360 B10R0.88 CCN[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000210202 [1,1,0,0,0,0|1,0,0]=3 361 B10R0.88 COCN[C@@H](CSC)C(=O)O 269956a_100011421858_100000766300 [1,1,0,0,0,0|2,0,0]=4 362 B10R0.88 COCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766300 [1,1,0,0,0,0|2,0,0]=4 363 B10R0.88 COCN[C@H](COC)C(=O)O 269956a_100011998655_100000766300 [1,1,0,0,0,0|2,0,0]=4 364 B10R0.88 COC[C@@H](NCCF)C(=O)O 269956a_100011998655_100011217306 [1,1,0,0,0,0|2,0,0]=4 365 B10R0.88 COC[C@@H](NCCO)C(=O)O 269956a_100011998655_100000211926 [1,1,0,0,0,0|2,0,0]=4 366 B10R0.88 COC[C@@H](NCSC)C(=O)O 269956a_100011998655_100011218213 [1,1,0,0,0,0|2,0,0]=4 367 B10R0.88 CSCC[C@H](NCF)C(=O)O 269956a_100000743919_100015361967 [1,1,0,0,0,0|2,0,0]=4 368 B10R0.88 CSCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218213 [1,1,0,0,0,0|2,0,0]=4 369 B10R0.88 CSCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218213 [1,1,0,0,0,0|2,0,0]=4 370 B10R0.88 CSC[C@H](NCCF)C(=O)O 269956a_100011421858_100011217306 [1,1,0,0,0,0|2,0,0]=4 371 B10R0.88 CSC[C@H](NCCO)C(=O)O 269956a_100011421858_100000211926 [1,1,0,0,0,0|2,0,0]=4 372 B10R0.88 C[Se]CC[C@H](NCF)C(=O)O 269956a_100020619752_100015361967 [1,1,0,0,0,0|2,0,0]=4 373 B10R0.88 C[Se]C[C@H](NCCF)C(=O)O 269956a_100015254316_100011217306 [1,1,0,0,0,0|2,0,0]=4 374 B10R0.88 C[Se]C[C@H](NCCO)C(=O)O 269956a_100015254316_100000211926 [1,1,0,0,0,0|2,0,0]=4 375 B10R0.118 CCC(C)C(C(=O)O)N(C)C 269956a_100000694001_200000210301 [1,1,0,0,0,0|2,0,0]=4 376 B10R0.118 CCC(C)C(C(=O)O)N(C)[13CH3] 269956a_100000694001_200025704644 [1,1,0,0,0,0|2,0,0]=4 377 B10R0.118 CCN(C)[C@H](C(=O)O)C(C)C 269956a_100015941355_100000210202 [1,1,0,0,0,0|2,0,0]=4 378 B10R0.17 C#CCNC(C(=O)O)C(C)O 269956a_100000185852_100000184674 [1,1,0,0,0,0|0,0,2]=4 379 B10R0.17 C=CCNC(C(=O)O)C(C)O 269956a_100000185852_100000210623 [1,1,0,0,0,0|0,0,2]=4 380 B10R0.17 CC(C)[C@@H](NCCF)C(=O)O 269956a_100000745019_100011217306 [1,1,0,0,0,0|2,0,0]=4 381 B10R0.17 CC(C)[C@@H](NCCO)C(=O)O 269956a_100000745019_100000211926 [1,1,0,0,0,0|2,0,0]=4 382 B10R0.17 CC(O)C(NCC#N)C(=O)O 269956a_100000185852_100011215382 [1,1,0,0,0,0|1,0,1]=4 383 B10R0.17 CC(O)C(NCC=O)C(=O)O 269956a_100000185852_200015260668 [1,1,0,0,0,0|1,0,1]=4 384 B10R0.17 CC(O)C(NCCF)C(=O)O 269956a_100000185852_100011217306 [1,1,0,0,0,0|1,0,0]=3 385 B10R0.17 CC(O)C(NCCO)C(=O)O 269956a_100000185852_100000211926 [1,1,0,0,0,0|1,0,0]=3 386 B10R0.17 CCCNC(C(=O)O)C(C)O 269956a_100000185852_100000210207 [1,1,0,0,0,0|0,0,0]=2 387 B10R0.17 CCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210207 [1,1,0,0,0,0|1,0,0]=3 388 B10R0.17 CCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210303 [1,1,0,0,0,0|1,0,0]=3 389 B10R0.17 CCCOC(C(=O)N)C(C)C 34a_100000210258_100000230017 [1,1,0,0,0,0|2,0,0]=4 390 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000210303_100000230017 [1,1,0,0,0,0|2,0,0]=4 391 B10R0.17 CCCSC(C(=O)N)C(C)C 62a_100000230017_100000210303 [1,1,0,0,0,0|2,0,0]=4 392 B10R0.17 COCNC(C(=O)O)C(C)O 269956a_100000185852_100000766300 [1,1,0,0,0,0|1,0,0]=3 393 B10R0.17 COCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000766300 [1,1,0,0,0,0|2,0,0]=4 394 B10R0.17 COCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000766300 [1,1,0,0,0,0|2,0,0]=4 395 B10R0.17 CSCNC(C(=O)O)C(C)O 269956a_100000185852_100011218213 [1,1,0,0,0,0|1,0,0]=3 396 B10R0.17 CSCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011218213 [1,1,0,0,0,0|2,0,0]=4 397 B10R0.17 CSCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011218213 [1,1,0,0,0,0|2,0,0]=4 398 B10R0.17 C[C@@H](O)[C@H](NCCF)C(=O)N 2230a_100000003557_100011217306 [1,1,0,0,0,0|2,0,0]=4 399 B10R0.17 C[C@@H](O)[C@H](NCCO)C(=O)N 2230a_100000003557_100000211926 [1,1,0,0,0,0|2,0,0]=4 400 B10R0.69 CC(C)(O)[C@@H](NCF)C(=O)O 269956a_100015421311_100015361967 [1,1,0,0,0,0|2,0,0]=4 401 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)C 269956a_100000753415_100000210202 [1,1,0,0,0,0|2,0,0]=4 402 B10R0.69 CCN[C@@H](C(=O)O)C(C)(C)O 269956a_100015421311_100000210202 [1,1,0,0,0,0|1,0,0]=3 403 B10R0.162 CC(C)NC(C(=O)O)C(C)O 269956a_100000185852_100000210206 [1,1,0,0,0,0|1,0,0]=3 404 B10R0.162 CC(C)N[C@@H](C(=O)O)C(C)C 269956a_100000745019_100000210206 [1,1,0,0,0,0|2,0,0]=4 405 B10R0.162 CC(C)N[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100000210206 [1,1,0,0,0,0|2,0,0]=4 406 B12R0.180 CC[C@H](C)[C@@H](CC(=O)O)NC(C)C 269956a_100020625877_100000210206 [0,1,0,0,0,1|2,0,0]=4 407 B12R0.247 CCCN[C@H](CC(=O)O)[C@@H](C)CC 269956a_100020625877_100000210207 [0,1,0,0,0,1|1,0,0]=3 408 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCCF 269956a_100020625877_100011217306 [0,1,0,0,0,1|2,0,0]=4 409 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCCO 269956a_100020625877_100000211926 [0,1,0,0,0,1|2,0,0]=4 410 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCOC 269956a_100020625877_100000766300 [0,1,0,0,0,1|2,0,0]=4 411 B12R0.247 CC[C@H](C)[C@@H](CC(=O)O)NCSC 269956a_100020625877_100011218213 [0,1,0,0,0,1|2,0,0]=4 412 B12R0.407 CCCN(CC(=O)OC)C(C)CC 2230a_200011216551_100000747449 [0,1,0,0,0,1|2,0,0]=4 413 B12R0.407 CCCN(CC(=O)OC)C(C)CC 269982a_200011216551_100000747449 [0,1,0,0,0,1|2,0,0]=4 414 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)N 2230a_100000729256_100000766640 [0,1,0,0,0,1|2,0,0]=4 415 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)N 34a_100000729256_100000766640 [0,1,0,0,0,1|2,0,0]=4 416 B12R0.19 CCCC(C)N[C@@H](CCC)C(=O)O 269956a_100000750406_100000766640 [0,1,0,0,0,1|1,0,0]=3 417 B12R0.19 CCCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000766640 [0,1,0,0,0,1|2,0,0]=4 418 B12R0.19 CCCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000766640 [0,1,0,0,0,1|2,0,0]=4 419 B12R0.19 CCCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000766640 [0,1,0,0,0,1|2,0,0]=4 420 B12R0.19 CCCC(C)OC(CCC)C(=O)N 34a_100011626294_100000766640 [0,1,0,0,0,1|2,0,0]=4 421 B12R0.19 CCCC(C)OC(CCC)C(=O)N 7a_100011626294_100000766640 [0,1,0,0,0,1|2,0,0]=4 422 B12R0.19 CCCC(NC(=O)CNC)C(=O)O 269956a_100011216050_200000210301 [0,1,0,0,0,1|0,0,2]=4 423 B12R0.19 CCCC(NC(=O)CN[13CH3])C(=O)O 269956a_100011216050_200025704644 [0,1,0,0,0,1|0,0,2]=4 424 B12R0.19 CCCC(OC(C)CCO)C(=O)N 34a_100011626294_100009893172 [0,1,0,0,0,1|2,0,0]=4 425 B12R0.19 CCCC(OC(C)CCO)C(=O)N 7a_100011626294_100009893172 [0,1,0,0,0,1|2,0,0]=4 426 B12R0.19 CCCC(OC(C)COC)C(=O)N 34a_100011626294_100000765312 [0,1,0,0,0,1|2,0,0]=4 427 B12R0.19 CCCC(OC(C)COC)C(=O)N 7a_100011626294_100000765312 [0,1,0,0,0,1|2,0,0]=4 428 B12R0.19 CCC[C@H](NC(C)CC#N)C(=O)O 269956a_100000750406_100009813641 [0,1,0,0,0,1|1,0,1]=4 429 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 2230a_100000729256_100009893172 [0,1,0,0,0,1|2,0,0]=4 430 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)N 34a_100000729256_100009893172 [0,1,0,0,0,1|2,0,0]=4 431 B12R0.19 CCC[C@H](NC(C)CCO)C(=O)O 269956a_100000750406_100009893172 [0,1,0,0,0,1|1,0,0]=3 432 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 2230a_100000729256_100000765312 [0,1,0,0,0,1|2,0,0]=4 433 B12R0.19 CCC[C@H](NC(C)COC)C(=O)N 34a_100000729256_100000765312 [0,1,0,0,0,1|2,0,0]=4 434 B12R0.19 CCC[C@H](NC(C)COC)C(=O)O 269956a_100000750406_100000765312 [0,1,0,0,0,1|1,0,0]=3 435 B12R0.19 COCC(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000765312 [0,1,0,0,0,1|2,0,0]=4 436 B12R0.19 COCC(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000765312 [0,1,0,0,0,1|2,0,0]=4 437 B12R0.19 COCC(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000765312 [0,1,0,0,0,1|2,0,0]=4 438 B12R0.19 COC[C@@H](NC(C)CCO)C(=O)O 269956a_100011998655_100009893172 [0,1,0,0,0,1|2,0,0]=4 439 B12R0.19 CSC[C@H](NC(C)CCO)C(=O)O 269956a_100011421858_100009893172 [0,1,0,0,0,1|2,0,0]=4 440 B12R0.19 C[Se]C[C@H](NC(C)CCO)C(=O)O 269956a_100015254316_100009893172 [0,1,0,0,0,1|2,0,0]=4 441 B12R0.29 CCC(CC)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000210505 [0,1,0,0,0,1|2,0,0]=4 442 B12R0.29 CCC(CC)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000210505 [0,1,0,0,0,1|2,0,0]=4 443 B12R0.29 CCC(CC)N[C@H](COC)C(=O)O 269956a_100011998655_100000210505 [0,1,0,0,0,1|2,0,0]=4 444 B12R0.29 CCCC(OC(CC)CC)C(=O)N 7a_100011626294_100000210505 [0,1,0,0,0,1|2,0,0]=4 445 B12R0.29 CCC[C@H](NC(CC)CC)C(=O)O 269956a_100000750406_100000210505 [0,1,0,0,0,1|1,0,0]=3 446 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)N 2230a_100000119342_100000758301 [0,1,0,0,0,1|2,0,0]=4 447 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)N 34a_100000119342_100011215416 [0,1,0,0,0,1|2,0,0]=4 448 B12R0.129 CCC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100000758301 [0,1,0,0,0,1|1,0,0]=3 449 B12R0.129 CCC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100000758301 [0,1,0,0,0,1|1,0,0]=3 450 B12R0.129 CCCCC(NC(C)CC)C(=O)N 2230a_100000209981_100000748834 [0,1,0,0,0,1|2,0,0]=4 451 B12R0.129 CCCCC(OC(C)CC)C(=O)N 7a_100000210228_100000748834 [0,1,0,0,0,1|2,0,0]=4 452 B12R0.129 CCCCC(SC(C)CC)C(=O)N 62a_100000748834_100000758301 [0,1,0,0,0,1|2,0,0]=4 453 B12R0.129 CCCCC(SC(C)CC)C(=O)N 62a_100000758301_100000748834 [0,1,0,0,0,1|2,0,0]=4 454 B12R0.129 CCCC[C@H](NC(C)CC)C(=O)N 2230a_100000124899_100000758301 [0,1,0,0,0,1|2,0,0]=4 455 B12R0.129 CCCC[C@H](NC(C)CC)C(=O)N 34a_100000124899_100011215416 [0,1,0,0,0,1|2,0,0]=4 456 B12R0.129 COC(C)N[C@@H](CCSC)C(=O)O 269956a_100000743919_100009879195 [0,1,0,0,0,1|2,0,0]=4 457 B12R0.129 COC(C)N[C@@H](CC[Se]C)C(=O)O 269956a_100020619752_100009879195 [0,1,0,0,0,1|2,0,0]=4 458 B12R0.129 CSCC[C@H](N[C@H](C)CO)C(=O)O 269956a_100000743919_100016084084 [0,1,0,0,0,1|2,0,0]=4 459 B12R0.129 C[Se]CC[C@H](N[C@H](C)CO)C(=O)O 269956a_100020619752_100016084084 [0,1,0,0,0,1|2,0,0]=4 460 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 2230a_100016989234_100000758301 [0,1,0,0,0,1|2,0,0]=4 461 B12R0.151 CCC(C)N[C@@H](CC(C)C)C(=O)N 34a_100016989234_100011215416 [0,1,0,0,0,1|2,0,0]=4 462 B12R0.151 CCC(C)N[C@@H](CS(=O)C)C(=O)O 269956a_100009817418_100000758301 [0,1,0,0,0,1|2,0,0]=4 463 B12R0.158 CCC(C)N[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000758301 [0,1,0,0,0,1|1,0,0]=3 464 B12R0.158 CCC(C)N[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000758301 [0,1,0,0,0,1|2,0,0]=4 465 B12R0.158 CCC(C)N[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000758301 [0,1,0,0,0,1|2,0,0]=4 466 B12R0.158 CC[C@H](C)[C@@H](NC(C)OC)C(=O)O 269956a_100009815163_100009879195 [0,1,0,0,0,1|2,0,0]=4 467 B12R0.158 CC[C@H](C)[C@@H](N[C@H](C)CO)C(=O)O 269956a_100009815163_100016084084 [0,1,0,0,0,1|2,0,0]=4 468 B12R0.372 CCC(C)(C)N[C@@H](CSC)C(=O)O 269956a_100011421858_100000032637 [0,1,0,0,0,1|2,0,0]=4 469 B12R0.372 CCC(C)(C)N[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000032637 [0,1,0,0,0,1|2,0,0]=4 470 B12R0.372 CCC(C)(C)N[C@H](COC)C(=O)O 269956a_100011998655_100000032637 [0,1,0,0,0,1|2,0,0]=4 471 B12R0.372 CCCC(OC(C)(C)CC)C(=O)N 7a_100011626294_100000210677 [0,1,0,0,0,1|2,0,0]=4 472 B12R0.372 CCC[C@H](NC(C)(C)CC)C(=O)O 269956a_100000750406_100000032637 [0,1,0,0,0,1|1,0,0]=3 473 B12R0.372 CCC[C@H](NC(F)(F)CO)C(=O)O 269956a_100000750406_100011217949 [0,1,0,0,0,1|2,0,0]=4 474 B12R0.400 CCC[C@H](NC(C)C(=O)C)C(=O)O 269956a_100000750406_100009814033 [0,1,0,0,0,1|1,0,1]=4 475 B12R0.185 CCC(C)N(C(=O)CO)C(C)CC 240690a_100000210998_100000210174 [0,2,0,0,0,0|2,0,0]=4 476 B12R0.185 CCC(C)N(C(=O)CO)C(C)CC 527a_100000210998_100000210174 [0,2,0,0,0,0|2,0,0]=4 477 B12R0.185 CC[C@H](C)[C@@H](C(=O)OC)N(C)CC 2230a_200025714652_100000210202 [0,2,0,0,0,0|2,0,0]=4 478 B12R0.185 CC[C@H](C)[C@@H](C(=O)OC)N(C)CC 269982a_200025714652_100000204670 [0,2,0,0,0,0|2,0,0]=4 479 B12R0.249 CCC(C)N(CCOC)C(=O)CO 240690a_200000740884_100000210174 [0,2,0,0,0,0|2,0,0]=4 480 B12R0.249 CCC(C)N(CCOC)C(=O)CO 527a_200000740884_100000210174 [0,2,0,0,0,0|2,0,0]=4 481 B12R0.249 CCCCC(C(=O)CC)C(=O)OC 1458a_100000210414_100000750740 [0,2,0,0,0,0|0,0,2]=4 482 B12R0.249 CCCCC(C(=O)OC)N(C)CC 2230a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 483 B12R0.249 CCCCC(C(=O)OC)N(C)CC 269982a_100000225621_100000750740 [0,2,0,0,0,0|2,0,0]=4 484 B12R0.249 CCCCN(C(=O)CO)C(C)CC 240690a_100000207357_100000210174 [0,2,0,0,0,0|2,0,0]=4 485 B12R0.249 CCCCN(C(=O)CO)C(C)CC 527a_100000207357_100000210174 [0,2,0,0,0,0|2,0,0]=4 486 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000056495_100000210303 [0,2,0,0,0,0|0,0,2]=4 487 B12R0.249 CCCSC(C(=O)CC)C(=O)OC 62a_100000210303_100000056495 [0,2,0,0,0,0|0,0,2]=4 488 B12R0.274 CCCC(=O)C(CCC)C(=O)OC 1458a_100000211992_200009843822 [0,2,0,0,0,0|0,0,2]=4 489 B12R0.274 CCCC(C(=O)CC)C(=O)OCC 1458a_100000210414_100000695697 [0,2,0,0,0,0|0,0,2]=4 490 B12R0.274 CCCC(C(=O)CCO)C(=O)OC 1458a_100011216618_200009843822 [0,2,0,0,0,0|0,0,2]=4 491 B12R0.274 CCCC(C(=O)CO)C(=O)OCC 1458a_100000210174_100000695697 [0,2,0,0,0,0|0,0,2]=4 492 B12R0.274 CCCC(C(=O)COC)C(=O)OC 1458a_100000210968_200009843822 [0,2,0,0,0,0|0,0,2]=4 493 B12R0.274 CCCC(C(=O)CSC)C(=O)OC 1458a_100000184570_200009843822 [0,2,0,0,0,0|0,0,2]=4 494 B12R0.274 CCCC(C(=O)OC)N(C)CCC 2230a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 495 B12R0.274 CCCC(C(=O)OC)N(C)CCC 269982a_100000747261_200009843822 [0,2,0,0,0,0|2,0,0]=4 496 B12R0.274 CCCC(C(=O)OC)N(C)CCO 2230a_100000210263_200009843822 [0,2,0,0,0,0|2,0,0]=4 497 B12R0.274 CCCC(C(=O)OC)N(C)CCO 269982a_100000210263_200009843822 [0,2,0,0,0,0|2,0,0]=4 498 B12R0.274 CCCC(C(=O)OCC)N(C)CC 2230a_100000225621_100000695697 [0,2,0,0,0,0|2,0,0]=4 499 B12R0.274 CCCC(C(=O)OCC)N(C)CC 269982a_100000225621_100000695697 [0,2,0,0,0,0|2,0,0]=4 500 B12R0.274 CCCN(C(=O)CCO)C(C)CC 240690a_200011216551_100011216618 [0,2,0,0,0,0|2,0,0]=4 501 B12R0.274 CCCN(C(=O)COC)C(C)CC 11a_200011216551_100000210968 [0,2,0,0,0,0|2,0,0]=4 502 B12R0.274 CCCN(C(=O)COC)C(C)CC 1626a_200011216551_100000210968 [0,2,0,0,0,0|2,0,0]=4 503 B12R0.274 CCCN(C(=O)COC)C(C)CC 240690a_200011216551_100000210968 [0,2,0,0,0,0|2,0,0]=4 504 B12R0.274 CCCN(C(=O)COC)C(C)CC 527a_200011216551_100000210968 [0,2,0,0,0,0|2,0,0]=4 505 B12R0.408 CCCC(C(=O)OC)N(CC)CC 2230a_100000724800_200009843822 [0,2,0,0,0,0|2,0,0]=4 506 B12R0.408 CCCC(C(=O)OC)N(CC)CC 269982a_100000724800_200009843822 [0,2,0,0,0,0|2,0,0]=4 507 B12R0.408 CCCN(C(=O)CO)C(CC)CC 240690a_100015185089_100000210174 [0,2,0,0,0,0|2,0,0]=4 508 B12R0.408 CCCN(C(=O)CO)C(CC)CC 527a_100015185089_100000210174 [0,2,0,0,0,0|2,0,0]=4 509 B12R0.408 CCNC(C(=O)OC)C(OC)OC 2230a_100015525214_100000690451 [0,2,0,0,0,0|2,0,0]=4 510 B12R0.408 CCOC(C(=O)OC)C(OC)OC 34a_100121572206_100000690451 [0,2,0,0,0,0|2,0,0]=4 511 B12R0.408 CCSC(C(=O)OC)C(OC)OC 62a_100000210202_100000690451 [0,2,0,0,0,0|2,0,0]=4 512 B12R0.408 CCSC(C(=O)OC)C(OC)OC 62a_100000690451_100000210202 [0,2,0,0,0,0|2,0,0]=4 513 B12R0.187 CCC(C)C(C(=O)O)N(C)C(C)C 269956a_100000694001_100000210206 [0,2,0,0,0,0|2,0,0]=4 514 B12R0.81 CCC(C)C(C(=O)O)N(C)CCF 269956a_100000694001_100011217306 [0,2,0,0,0,0|2,0,0]=4 515 B12R0.81 CCC(C)C(C(=O)O)N(C)CCO 269956a_100000694001_100000211926 [0,2,0,0,0,0|2,0,0]=4 516 B12R0.81 CCC(C)C(C(=O)O)N(C)COC 269956a_100000694001_100000766300 [0,2,0,0,0,0|2,0,0]=4 517 B12R0.81 CCC(C)C(C(=O)O)N(C)CSC 269956a_100000694001_100011218213 [0,2,0,0,0,0|2,0,0]=4 518 B12R0.81 CCCN(C)C(C(=O)O)C(C)CC 269956a_100000694001_100000210207 [0,2,0,0,0,0|1,0,0]=3 519 B12R0.337 CCCOC(C(=O)N)[C@H](N)CCC 34a_200132311066_100000210303 [0,2,0,0,0,0|2,0,0]=4 520 B12R0.199 CC[C@H](C)[C@@H](NC(C)(C)C)C(=O)O 269956a_100009815163_100000211941 [0,2,0,0,0,0|2,0,0]=4 521 B12R0.127 C#CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000688953 [0,2,0,0,0,0|1,0,1]=4 522 B12R0.127 C/C=C/CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100102629194 [0,2,0,0,0,0|1,0,1]=4 523 B12R0.127 C=CCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000754431 [0,2,0,0,0,0|1,0,1]=4 524 B12R0.127 CC#CCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000748600 [0,2,0,0,0,0|1,0,1]=4 525 B12R0.127 CCCCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000210211 [0,2,0,0,0,0|1,0,0]=3 526 B12R0.127 CCCCN[C@H](C(=O)N)[C@@H](C)CC 2230a_100000758034_100000210211 [0,2,0,0,0,0|2,0,0]=4 527 B12R0.127 CCCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000210211 [0,2,0,0,0,0|2,0,0]=4 528 B12R0.127 CCOCN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000739092 [0,2,0,0,0,0|1,0,0]=3 529 B12R0.127 CCOCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000739092 [0,2,0,0,0,0|2,0,0]=4 530 B12R0.127 CC[C@H](C)[C@@H](NCCC#N)C(=O)O 269956a_100009815163_100011215226 [0,2,0,0,0,0|1,0,1]=4 531 B12R0.127 CC[C@H](C)[C@@H](NCCCF)C(=O)O 269956a_100009815163_100011934791 [0,2,0,0,0,0|1,0,0]=3 532 B12R0.127 CC[C@H](C)[C@@H](NCCCO)C(=O)O 269956a_100009815163_100011215043 [0,2,0,0,0,0|1,0,0]=3 533 B12R0.127 CC[C@H](C)[C@@H](NCCOC)C(=O)O 269956a_100009815163_100000233755 [0,2,0,0,0,0|1,0,0]=3 534 B12R0.127 CC[C@H](C)[C@@H](NCCSC)C(=O)O 269956a_100009815163_100000212216 [0,2,0,0,0,0|1,0,0]=3 535 B12R0.127 CC[C@H](C)[C@H](NCCCF)C(=O)N 2230a_100000758034_100011934791 [0,2,0,0,0,0|2,0,0]=4 536 B12R0.127 CC[C@H](C)[C@H](NCCCO)C(=O)N 2230a_100000758034_100000230001 [0,2,0,0,0,0|2,0,0]=4 537 B12R0.127 CC[C@H](C)[C@H](NCCOC)C(=O)N 2230a_100000758034_100011201679 [0,2,0,0,0,0|2,0,0]=4 538 B12R0.127 CC[C@H](C)[C@H](NCCSC)C(=O)N 2230a_100000758034_100000751147 [0,2,0,0,0,0|2,0,0]=4 539 B12R0.127 COCCN[C@H](C(=O)O)[C@@H](C)OC 269956a_100015335849_100000233755 [0,2,0,0,0,0|2,0,0]=4 540 B12R0.127 CO[C@H](C)[C@H](NCCCF)C(=O)O 269956a_100015335849_100011934791 [0,2,0,0,0,0|2,0,0]=4 541 B12R0.127 CO[C@H](C)[C@H](NCCCO)C(=O)O 269956a_100015335849_100011215043 [0,2,0,0,0,0|2,0,0]=4 542 B12R0.127 CO[C@H](C)[C@H](NCCSC)C(=O)O 269956a_100015335849_100000212216 [0,2,0,0,0,0|2,0,0]=4 543 B12R0.350 C=C(C)CN[C@@H](C(=O)O)[C@@H](C)CC 269956a_100009815163_100000748629 [0,2,0,0,0,0|1,0,1]=4 544 B12R0.350 CC[C@H](C)[C@@H](NCC(C)C)C(=O)O 269956a_100009815163_100000210760 [0,2,0,0,0,0|1,0,0]=3 545 B12R0.350 CC[C@H](C)[C@@H](NCC(C)O)C(=O)O 269956a_100009815163_100011218427 [0,2,0,0,0,0|1,0,0]=3 546 B12R0.350 CC[C@H](C)[C@@H](NCC(F)F)C(=O)O 269956a_100009815163_100011934356 [0,2,0,0,0,0|2,0,0]=4 547 B12R0.350 CC[C@H](C)[C@@H](NC[C@@H](C)O)C(=O)O 269956a_100009815163_100009817552 [0,2,0,0,0,0|1,0,0]=3 548 B12R0.350 CC[C@H](C)[C@H](NCC(C)C)C(=O)N 2230a_100000758034_100000210760 [0,2,0,0,0,0|2,0,0]=4 549 B12R0.350 CC[C@H](C)[C@H](NCC(C)C)C(=O)N 270004a_100000758034_100000210432 [0,2,0,0,0,0|2,0,0]=4 550 B12R0.350 CC[C@H](C)[C@H](NCC(C)O)C(=O)N 2230a_100000758034_100011218427 [0,2,0,0,0,0|2,0,0]=4 551 B12R0.350 CC[C@H](C)[C@H](NC[C@@H](C)O)C(=O)N 2230a_100000758034_100009817552 [0,2,0,0,0,0|2,0,0]=4 552 B12R0.350 CO[C@H](C)[C@H](NCC(C)C)C(=O)O 269956a_100015335849_100000210760 [0,2,0,0,0,0|2,0,0]=4 553 B12R0.350 CO[C@H](C)[C@H](NCC(C)O)C(=O)O 269956a_100015335849_100011218427 [0,2,0,0,0,0|2,0,0]=4 554 B12R0.350 CO[C@H](C)[C@H](NC[C@@H](C)O)C(=O)O 269956a_100015335849_100009817552 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.4 CCN[C@H]1COCC[C@@H]1O 2230a_100015739063_100000210202 [1,0,0,1,0,0|1,0,1]=4 556 B10R1.149 CCC(=O)C1CCCC1=O 1458a_100000210414_100000211823 [1,0,0,1,0,0|0,0,2]=4 557 B10R1.149 CCN(C)C1CCCC1=O 2230a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 558 B10R1.149 CCN(C)C1CCCC1=O 269982a_100000225621_100000211823 [1,0,0,1,0,0|2,0,0]=4 559 B10R1.39 CCC1CCCN1C(=O)C 11a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 560 B10R1.39 CCC1CCCN1C(=O)C 1626a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 561 B10R1.39 CCC1CCCN1C(=O)C 240690a_100000754278_100015343762 [1,0,0,1,0,0|2,0,0]=4 562 B10R1.39 CCC1CCCN1C(=O)C 527a_100000754278_100103153847 [1,0,0,1,0,0|2,0,0]=4 563 B10R1.39 CCN1CCCC1C(=O)C 1458a_106256033941_200000210301 [1,0,0,1,0,0|2,0,0]=4 564 B10R1.39 CCN1CCCC1C(=O)[13CH3] 1458a_106256033941_200025704644 [1,0,0,1,0,0|2,0,0]=4 565 B10R1.39 CCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210202 [1,0,0,1,0,0|2,0,0]=4 566 B10R1.39 CCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210202 [1,0,0,1,0,0|1,0,0]=3 567 B10R1.39 CCN1CCSC1C(=O)O 269956a_100000035718_100000210202 [1,0,0,1,0,0|2,0,0]=4 568 B10R1.39 CCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210202 [1,0,0,1,0,0|2,0,0]=4 569 B10R1.39 O=C(O)[C@@H]1CCCN1CF 269956a_100000743916_100015361967 [1,0,0,1,0,0|2,0,0]=4 570 B10R1.113 CC(=O)C1CCCC(C1)C 1458a_100011215569_200000210301 [1,0,0,1,0,0|1,0,0]=3 571 B10R1.113 CC(=O)C1CCCC(C1)O 1458a_100000707227_200000210301 [1,0,0,1,0,0|2,0,0]=4 572 B10R1.113 CC(=O)C1CCCN(C1)C 1458a_100015257587_200000210301 [1,0,0,1,0,0|2,0,0]=4 573 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 11a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 574 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 240690a_100000717927_100015343762 [1,0,0,1,0,0|2,0,0]=4 575 B10R1.113 CC(=O)N1CCC[C@@H](C1)C 527a_100000717927_100103153847 [1,0,0,1,0,0|2,0,0]=4 576 B10R1.113 CC1CCCC(C1)C(=O)[13CH3] 1458a_100011215569_200025704644 [1,0,0,1,0,0|1,0,0]=3 577 B10R1.113 CN1CCCC(C1)C(=O)N 2230a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 578 B10R1.113 CN1CCCC(C1)C(=O)N 269982a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 579 B10R1.113 CN1CCCC(C1)C(=O)N 34a_100000195536_200000210301 [1,0,0,1,0,0|2,0,0]=4 580 B10R1.113 CN1CCCC(C1)C(=O)[13CH3] 1458a_100015257587_200025704644 [1,0,0,1,0,0|2,0,0]=4 581 B10R1.113 [13CH3]C(=O)C1CCCC(C1)O 1458a_100000707227_200025704644 [1,0,0,1,0,0|2,0,0]=4 582 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 2230a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 583 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 269982a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 584 B10R1.113 [13CH3]N1CCCC(C1)C(=O)N 34a_100000195536_200025704644 [1,0,0,1,0,0|2,0,0]=4 585 B10R1.130 CC1CC(C(=O)O1)SCF 62a_100015361967_200000216747 [1,0,0,1,0,0|2,0,0]=4 586 B10R1.130 CC1CC(C(=O)O1)SCF 62a_200000216747_100015361967 [1,0,0,1,0,0|2,0,0]=4 587 B10R1.130 CCNC1CC(OC1=O)C 2230a_100015525214_200000216747 [1,0,0,1,0,0|1,0,0]=3 588 B10R1.130 CCOC1CC(OC1=O)C 34a_100121572206_200000216747 [1,0,0,1,0,0|1,0,0]=3 589 B10R1.130 CCSC1CC(OC1=O)C 62a_100000210202_200000216747 [1,0,0,1,0,0|1,0,0]=3 590 B10R1.130 CCSC1CC(OC1=O)C 62a_200000216747_100000210202 [1,0,0,1,0,0|1,0,0]=3 591 B10R1.290 CCCN(C(=O)C)C1CC1 11a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 592 B10R1.290 CCCN(C(=O)C)C1CC1 1626a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 593 B10R1.290 CCCN(C(=O)C)C1CC1 240690a_100000765834_100015343762 [1,0,0,1,0,0|2,0,0]=4 594 B10R1.290 CCCN(C(=O)C)C1CC1 527a_100000765834_100103153847 [1,0,0,1,0,0|2,0,0]=4 595 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000070787_100011217769 [1,0,0,1,0,0|1,0,0]=3 596 B10R1.348 CC(=O)C1CCCCCC1 1458a_100000749507_200000210301 [1,0,0,1,0,0|1,0,0]=3 597 B10R1.348 CC(=O)N1CCCCCC1 11a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 598 B10R1.348 CC(=O)N1CCCCCC1 1626a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 599 B10R1.348 CC(=O)N1CCCCCC1 240690a_100000185865_100015343762 [1,0,0,1,0,0|2,0,0]=4 600 B10R1.348 CC(=O)N1CCCCCC1 527a_100000185865_100103153847 [1,0,0,1,0,0|2,0,0]=4 601 B10R1.348 [13CH3]C(=O)C1CCCCCC1 1458a_100000749507_200025704644 [1,0,0,1,0,0|1,0,0]=3 602 B10R1.381 CCNC1(CCC1)C(=O)O 269956a_100000688724_100000210202 [1,0,0,1,0,0|1,0,0]=3 603 B10R1.381 CNCC1(CCC1)C(=O)O 269956a_100000729485_200000210301 [1,0,0,1,0,0|1,0,0]=3 604 B10R1.381 COCC1(CCC1)C(=O)C 1458a_100000728662_200000210301 [1,0,0,1,0,0|2,0,0]=4 605 B10R1.381 COCC1(CCC1)C(=O)[13CH3] 1458a_100000728662_200025704644 [1,0,0,1,0,0|2,0,0]=4 606 B10R1.381 O=C(O)C1(CCC1)NCF 269956a_100000688724_100015361967 [1,0,0,1,0,0|2,0,0]=4 607 B10R1.381 [13CH3]NCC1(CCC1)C(=O)O 269956a_100000729485_200025704644 [1,0,0,1,0,0|1,0,0]=3 608 B10R1.61 CC(=O)C1CCCCC1C 1458a_100011215568_200000210301 [1,0,0,1,0,0|2,0,0]=4 609 B10R1.61 CC(=O)C1CCCCC1O 1458a_100011803323_200000210301 [1,0,0,1,0,0|1,0,0]=3 610 B10R1.61 CC1CCCCC1C(=O)[13CH3] 1458a_100011215568_200025704644 [1,0,0,1,0,0|2,0,0]=4 611 B10R1.61 CN1CCCC[C@@H]1C(=O)O 269956a_100000763471_200000210301 [1,0,0,1,0,0|2,0,0]=4 612 B10R1.61 [13CH3]C(=O)C1CCCCC1O 1458a_100011803323_200025704644 [1,0,0,1,0,0|1,0,0]=3 613 B10R1.61 [13CH3]N1CCCC[C@@H]1C(=O)O 269956a_100000763471_200025704644 [1,0,0,1,0,0|2,0,0]=4 614 B10R1.219 CNC(C(=O)O)C1CCC1 269956a_100000765838_200000210301 [1,0,0,1,0,0|2,0,0]=4 615 B10R1.219 [13CH3]NC(C(=O)O)C1CCC1 269956a_100000765838_200025704644 [1,0,0,1,0,0|2,0,0]=4 616 B10R1.59 CC(=O)C1CC(OC1=O)C 1458a_100000070787_200000216747 [1,0,0,1,0,0|0,0,2]=4 617 B10R1.59 CC1CC(C(=O)O1)N(C)C 2230a_100102631434_200000216747 [1,0,0,1,0,0|2,0,0]=4 618 B10R1.59 CC1CC(C(=O)O1)N(C)C 269982a_100102631434_200000216747 [1,0,0,1,0,0|2,0,0]=4 619 B12R1.224 CC(=O)NC1CCCC(C1C)C 11a_100000211273_100015343762 [0,0,0,1,0,1|2,0,0]=4 620 B12R1.224 CC(=O)NC1CCCC(C1C)C 1626a_100000211273_100015343762 [0,0,0,1,0,1|2,0,0]=4 621 B12R1.224 CC(=O)NC1CCCC(C1C)C 240690a_100000211273_100015343762 [0,0,0,1,0,1|2,0,0]=4 622 B12R1.224 CC(=O)NC1CCCC(C1C)C 527a_100000211273_100103153847 [0,0,0,1,0,1|2,0,0]=4 623 B12R1.368 CCC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000758301 [0,0,0,1,0,1|2,0,0]=4 624 B12R1.46 CCN1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210202 [0,0,0,1,0,1|2,0,0]=4 625 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000209981_100000687798 [0,0,0,1,0,1|2,0,0]=4 626 B12R1.371 CCC(C)NC1CCCNC1=O 2230a_100000747585_100000758301 [0,0,0,1,0,1|2,0,0]=4 627 B12R1.371 CCC(C)NC1CCCNC1=O 34a_100000747585_100011215416 [0,0,0,1,0,1|2,0,0]=4 628 B12R1.371 CCC(C)OC1CCCCC1=O 34a_100011214950_100011215416 [0,0,0,1,0,1|2,0,0]=4 629 B12R1.371 CCC(C)OC1CCCCC1=O 7a_100000210228_100000204591 [0,0,0,1,0,1|2,0,0]=4 630 B12R1.371 CCC(C)OC1CCCNC1=O 34a_100000073722_100011215416 [0,0,0,1,0,1|2,0,0]=4 631 B12R1.371 CCC(C)OC1CCCNC1=O 7a_100000210228_100000687798 [0,0,0,1,0,1|2,0,0]=4 632 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000204591_100000758301 [0,0,0,1,0,1|2,0,0]=4 633 B12R1.371 CCC(C)SC1CCCCC1=O 62a_100000758301_100000204591 [0,0,0,1,0,1|2,0,0]=4 634 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000687798_100000758301 [0,0,0,1,0,1|2,0,0]=4 635 B12R1.371 CCC(C)SC1CCCNC1=O 62a_100000758301_100000687798 [0,0,0,1,0,1|2,0,0]=4 636 B12R1.532 CC1CC(C(=O)O1)N[C@H](C)CO 2230a_100000737577_200000216747 [0,0,0,1,0,1|2,0,0]=4 637 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 34a_100016041109_200000216747 [0,0,0,1,0,1|2,0,0]=4 638 B12R1.532 CC1CC(C(=O)O1)OC(C)CF 7a_100016041109_200000216747 [0,0,0,1,0,1|2,0,0]=4 639 B12R1.532 CC1CC(C(=O)O1)OC(C)CN 34a_100000210904_200000216747 [0,0,0,1,0,1|2,0,0]=4 640 B12R1.532 CC1CC(C(=O)O1)SC(C)CO 62a_100012180447_200000216747 [0,0,0,1,0,1|2,0,0]=4 641 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_100016084084_200000216747 [0,0,0,1,0,1|2,0,0]=4 642 B12R1.532 CC1CC(C(=O)O1)S[C@H](C)CO 62a_200000216747_100016084084 [0,0,0,1,0,1|2,0,0]=4 643 B12R1.532 CCC(C)NC1CC(OC1=O)C 2230a_100000209981_200000216747 [0,0,0,1,0,1|1,0,0]=3 644 B12R1.532 CCC(C)OC1CC(OC1=O)C 7a_100000210228_200000216747 [0,0,0,1,0,1|1,0,0]=3 645 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_100000758301_200000216747 [0,0,0,1,0,1|1,0,0]=3 646 B12R1.532 CCC(C)SC1CC(OC1=O)C 62a_200000216747_100000758301 [0,0,0,1,0,1|1,0,0]=3 647 B12R1.532 COC(C)SC1CC(OC1=O)C 62a_100009879195_200000216747 [0,0,0,1,0,1|2,0,0]=4 648 B12R1.532 COC(C)SC1CC(OC1=O)C 62a_200000216747_100009879195 [0,0,0,1,0,1|2,0,0]=4 649 B12R1.1506 CCCC(OC1CCC1)C(=O)N 34a_100011626294_100000749161 [0,0,0,1,0,1|2,0,0]=4 650 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)N 34a_100000729256_100000749161 [0,0,0,1,0,1|2,0,0]=4 651 B12R1.1506 CCC[C@H](NC1CCC1)C(=O)O 269956a_100000750406_100000749161 [0,0,0,1,0,1|1,0,0]=3 652 B12R1.1506 CCC[C@H](NC1COC1)C(=O)O 269956a_100000750406_100009818527 [0,0,0,1,0,1|2,0,0]=4 653 B12R1.1506 COC[C@@H](NC1CCC1)C(=O)O 269956a_100011998655_100000749161 [0,0,0,1,0,1|2,0,0]=4 654 B12R1.1506 CSC[C@H](NC1CCC1)C(=O)O 269956a_100011421858_100000749161 [0,0,0,1,0,1|2,0,0]=4 655 B12R1.1506 C[Se]C[C@H](NC1CCC1)C(=O)O 269956a_100015254316_100000749161 [0,0,0,1,0,1|2,0,0]=4 656 B12R1.2219 CCC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100000758301 [0,0,0,1,0,1|1,0,0]=3 657 B12R1.2219 COC(C)NC1(CCC1)C(=O)O 269956a_100000688724_100009879195 [0,0,0,1,0,1|2,0,0]=4 658 B12R1.2219 C[C@H](CO)NC1(CCC1)C(=O)O 269956a_100000688724_100016084084 [0,0,0,1,0,1|2,0,0]=4 659 B12R1.77 CCC1CCCCN1C(=O)CO 240690a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 660 B12R1.77 CCC1CCCCN1C(=O)CO 527a_100000210034_100000210174 [0,1,0,1,0,0|2,0,0]=4 661 B12R1.77 CCN1CCCCC1C(=O)OC 2230a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 662 B12R1.77 CCN1CCCCC1C(=O)OC 269982a_100000734855_100000204670 [0,1,0,1,0,0|2,0,0]=4 663 B12R1.77 CCN1CCCCC1C(=O)OC 34a_100000734855_100000210202 [0,1,0,1,0,0|2,0,0]=4 664 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 34a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 665 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1OC 7a_100015709673_200000210301 [0,1,0,1,0,0|2,0,0]=4 666 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 34a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 667 B12R1.77 COC(=O)[C@@H]1CCCC[C@@H]1O[13CH3] 7a_100015709673_200025704644 [0,1,0,1,0,0|2,0,0]=4 668 B12R1.354 COC(=O)C1CN(CCC1O)C 2230a_200103168510_200000210301 [0,1,0,1,0,0|1,0,0]=3 669 B12R1.354 COC(=O)C1CN(CCC1O)C 269982a_200103168510_200000210301 [0,1,0,1,0,0|1,0,0]=3 670 B12R1.354 COC(=O)C1CN(CCC1O)[13CH3] 2230a_200103168510_200025704644 [0,1,0,1,0,0|1,0,0]=3 671 B12R1.354 COC(=O)C1CN(CCC1O)[13CH3] 269982a_200103168510_200025704644 [0,1,0,1,0,0|1,0,0]=3 672 B12R1.365 O=C(CO)C1CCCCCC1=O 1458a_100000210174_100000243696 [0,1,0,1,0,0|0,0,2]=4 673 B12R1.1435 CCCC(C(=O)OC)N1CCC1 269982a_100000754969_200009843822 [0,1,0,1,0,0|2,0,0]=4 674 B12R1.1692 CCC(=O)C(C(=O)OC)C1CC1 1458a_100000210414_100016157471 [0,1,0,1,0,0|0,0,2]=4 675 B12R1.1692 CCN(C)C(C(=O)OC)C1CC1 2230a_100000225621_100016157471 [0,1,0,1,0,0|2,0,0]=4 676 B12R1.1692 CCN(C)C(C(=O)OC)C1CC1 269982a_100000225621_100016157471 [0,1,0,1,0,0|2,0,0]=4 677 B12R1.1723 CCC(=O)C1(CCC1)C(=O)OC 1458a_100000210414_100000694912 [0,1,0,1,0,0|0,0,2]=4 678 B12R1.261 CC(C)N1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210206 [0,1,0,1,0,0|2,0,0]=4 679 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)C 1458a_100000210198_200000216747 [0,1,0,1,0,0|0,0,2]=4 680 B12R1.864 CC1CC(C(=O)O1)C(=O)C(C)F 1458a_100000062450_200000216747 [0,1,0,1,0,0|0,0,2]=4 681 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@@H](C)O 1458a_100000717761_200000216747 [0,1,0,1,0,0|0,0,2]=4 682 B12R1.864 CC1CC(C(=O)O1)C(=O)[C@H](C)O 1458a_217856618621_200000216747 [0,1,0,1,0,0|0,0,2]=4 683 B12R1.864 CC1CC(C(=O)O1)N(C)C(C)C 269982a_200000211004_200000216747 [0,1,0,1,0,0|2,0,0]=4 684 B12R1.283 CCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210207 [0,1,0,1,0,0|2,0,0]=4 685 B12R1.283 CCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210202 [0,1,0,1,0,0|1,0,0]=3 686 B12R1.283 COCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000766300 [0,1,0,1,0,0|2,0,0]=4 687 B12R1.283 CSCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100011218213 [0,1,0,1,0,0|2,0,0]=4 688 B12R1.283 O=C(O)[C@@H]1CCCC[C@H]1NCF 269956a_100009816435_100015361967 [0,1,0,1,0,0|2,0,0]=4 689 B12R1.283 O=C(O)[C@H]1CCCCN1CCF 269956a_100000763471_100011217306 [0,1,0,1,0,0|2,0,0]=4 690 B12R1.283 O=C(O)[C@H]1CCCCN1CCO 269956a_100000763471_100000211926 [0,1,0,1,0,0|2,0,0]=4 691 B12R1.295 CCN[C@H](C(=O)O)C1CCCC1 269956a_100012017156_100000210202 [0,1,0,1,0,0|2,0,0]=4 692 B12R1.313 CC1CC(C(=O)O1)C(=O)CCO 1458a_100011216618_200000216747 [0,1,0,1,0,0|0,0,2]=4 693 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 2230a_100000210263_200000216747 [0,1,0,1,0,0|2,0,0]=4 694 B12R1.313 CC1CC(C(=O)O1)N(C)CCO 269982a_100000210263_200000216747 [0,1,0,1,0,0|2,0,0]=4 695 B12R1.313 CCCC(=O)C1CC(OC1=O)C 1458a_100000211992_200000216747 [0,1,0,1,0,0|0,0,2]=4 696 B12R1.313 CCCN(C)C1CC(OC1=O)C 2230a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 697 B12R1.313 CCCN(C)C1CC(OC1=O)C 269982a_100000747261_200000216747 [0,1,0,1,0,0|2,0,0]=4 698 B12R1.313 COCC(=O)C1CC(OC1=O)C 1458a_100000210968_200000216747 [0,1,0,1,0,0|0,0,2]=4 699 B12R1.313 CSCC(=O)C1CC(OC1=O)C 1458a_100000184570_200000216747 [0,1,0,1,0,0|0,0,2]=4 700 B12R1.2614 CCCC1(CCCN1C)C(=O)O 269956a_200015185366_200000210301 [0,1,0,1,0,0|2,0,0]=4 701 B12R1.2614 CCCC1(CCCN1[13CH3])C(=O)O 269956a_200015185366_200025704644 [0,1,0,1,0,0|2,0,0]=4 702 B12R1.1813 CC(C)NC(C(=O)O)C1CCC1 269956a_100000765838_100000210206 [0,1,0,1,0,0|2,0,0]=4 703 B12R1.3432 CC[C@H](C)[C@@H](NC1CC1)C(=O)O 269956a_100009815163_100000211595 [0,1,0,1,0,0|1,0,0]=3 704 B12R1.3432 CO[C@H](C)[C@H](NC1CC1)C(=O)O 269956a_100015335849_100000211595 [0,1,0,1,0,0|2,0,0]=4 705 B12R1.87 CC1CCCC(N1CF)C(=O)O 269956a_100000704260_100015361967 [0,1,0,1,0,0|2,0,0]=4 706 B12R1.87 CCN1C(CCCC1C(=O)O)C 269956a_100000704260_100000210202 [0,1,0,1,0,0|2,0,0]=4 707 B12R1.247 CCN(CC)C1CC(OC1=O)C 2230a_100000724800_200000216747 [0,1,0,1,0,0|2,0,0]=4 708 B12R1.247 CCN(CC)C1CC(OC1=O)C 269982a_100000724800_200000216747 [0,1,0,1,0,0|2,0,0]=4 709 B12R1.405 CCN1CCCCCC1C(=O)O 269956a_100000758484_100000210202 [0,1,0,1,0,0|2,0,0]=4 710 B12R1.405 O=C(O)C1CCCCCN1CF 269956a_100000758484_100015361967 [0,1,0,1,0,0|2,0,0]=4 711 B12R1.664 CCC1(CCCN1C(=O)C)CO 240690a_100000708151_100015343762 [0,1,0,1,0,0|2,0,0]=4 712 B12R1.664 CCC1(CCCN1C(=O)C)CO 527a_100000708151_100103153847 [0,1,0,1,0,0|2,0,0]=4 713 B12R1.57 CCN1CC(CCC1C(=O)O)O 269956a_100000089875_100000210202 [0,1,0,1,0,0|2,0,0]=4 714 B12R1.1762 CCCNC(C(=O)O)C1CCC1 269956a_100000765838_100000210207 [0,1,0,1,0,0|1,0,0]=3 715 B12R1.1762 COCNC(C(=O)O)C1CCC1 269956a_100000765838_100000766300 [0,1,0,1,0,0|2,0,0]=4 716 B12R1.1762 CSCNC(C(=O)O)C1CCC1 269956a_100000765838_100011218213 [0,1,0,1,0,0|2,0,0]=4 717 B12R1.1762 O=C(O)C(NCCF)C1CCC1 269956a_100000765838_100011217306 [0,1,0,1,0,0|2,0,0]=4 718 B12R1.1762 O=C(O)C(NCCO)C1CCC1 269956a_100000765838_100000211926 [0,1,0,1,0,0|2,0,0]=4 719 B12R1.3444 CCN(C)C1(CCCC1)C(=O)O 269956a_106744497834_100000210202 [0,1,0,1,0,0|2,0,0]=4 720 B12R1.661 CCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210202 [0,1,0,1,0,0|2,0,0]=4 721 B12R2.993 CC1CC(C(=O)O1)N2CCC2 269982a_100000754969_200000216747 [0,0,0,2,0,0|2,0,0]=4 722 B10R0.29 C=CC(CCC)OC(C)CC 34a_100011216692_100011215416 [1,0,0,0,0,1|2,0,0]=4 723 B10R0.29 C=CC(CCC)OC(C)CC 7a_100011216692_100000758301 [1,0,0,0,0,1|2,0,0]=4 724 B10R0.29 CCC[C@@H](CO)NC(C)CC 2230a_100000732646_100000758301 [1,0,0,0,0,1|1,0,1]=4 725 B10R0.29 CCC[C@@H](CO)NC(C)CC 34a_100000732646_100011215416 [1,0,0,0,0,1|1,0,1]=4 726 B10R0.79 CCCC(CCC)NC(=O)C 11a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 727 B10R0.79 CCCC(CCC)NC(=O)C 1626a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 728 B10R0.79 CCCC(CCC)NC(=O)C 240690a_100011207992_100015343762 [1,0,0,0,0,1|1,0,0]=3 729 B10R0.79 CCCC(CCC)NC(=O)C 527a_100011207992_100103153847 [1,0,0,0,0,1|1,0,0]=3 730 B10R0.79 CCCN(CCC)CC(=O)C 1458a_200011243382_200000210301 [1,0,0,0,0,1|2,0,0]=4 731 B10R0.79 CCCN(CCC)CC(=O)N 2230a_100000210455_100000747473 [1,0,0,0,0,1|2,0,0]=4 732 B10R0.79 CCCN(CCC)CC(=O)N 269982a_100000210455_100000187820 [1,0,0,0,0,1|2,0,0]=4 733 B10R0.79 CCCN(CCC)CC(=O)[13CH3] 1458a_200011243382_200025704644 [1,0,0,0,0,1|2,0,0]=4 734 B10R0.79 CCCN(CCC)CC(=O)[O-] 269982a_100000210455_100020667443 [1,0,0,0,0,1|1,0,1]=4 735 B10R0.79 CCCN(CCO)CC(=O)O 269956a_100000747938_100000210207 [1,0,0,0,0,1|2,0,0]=4 736 B10R0.79 CCC[C@@H](CCO)NC(=O)C 240690a_100015193777_100015343762 [1,0,0,0,0,1|2,0,0]=4 737 B10R0.79 CCC[C@@H](CCO)NC(=O)C 527a_100015193777_100103153847 [1,0,0,0,0,1|2,0,0]=4 738 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000209981_100000750255 [1,0,0,0,0,1|2,0,0]=4 739 B10R0.53 CCC(C)NC(CC)C(=O)N 2230a_100000733705_100000758301 [1,0,0,0,0,1|2,0,0]=4 740 B10R0.53 CCC(C)NC(CC)C(=O)N 34a_100000733705_100011215416 [1,0,0,0,0,1|2,0,0]=4 741 B10R0.53 CCC(C)NC(CO)C(=O)O 269956a_100000187304_100000758301 [1,0,0,0,0,1|2,0,0]=4 742 B10R0.53 CCC(C)N[C@H](CC)C(=O)O 269956a_100000747097_100000758301 [1,0,0,0,0,1|1,0,0]=3 743 B10R0.53 CCC(C)OC(CC)C(=O)N 7a_100000210228_100000750255 [1,0,0,0,0,1|2,0,0]=4 744 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000750255_100000758301 [1,0,0,0,0,1|2,0,0]=4 745 B10R0.53 CCC(C)SC(CC)C(=O)N 62a_100000758301_100000750255 [1,0,0,0,0,1|2,0,0]=4 746 B10R0.53 CCC(O)CN(CC)C(=O)C 11a_100011365200_100015343762 [1,0,0,0,0,1|2,0,0]=4 747 B10R0.53 CCC(O)CN(CC)C(=O)C 1626a_100011365200_100015343762 [1,0,0,0,0,1|2,0,0]=4 748 B10R0.53 CCC(O)CN(CC)C(=O)C 240690a_100011365200_100015343762 [1,0,0,0,0,1|2,0,0]=4 749 B10R0.53 CCC(O)CN(CC)C(=O)C 527a_100011365200_100103153847 [1,0,0,0,0,1|2,0,0]=4 750 B10R0.53 CC[C@@H](NC(C)OC)C(=O)O 269956a_100000747097_100009879195 [1,0,0,0,0,1|2,0,0]=4 751 B10R0.53 CC[C@@H](N[C@H](C)CO)C(=O)O 269956a_100000747097_100016084084 [1,0,0,0,0,1|2,0,0]=4 752 B12R0.51 CCCC(OCC(=O)N)C(C)CC 34a_100011215975_100000187820 [0,0,0,0,0,2|2,0,0]=4 753 B12R0.51 CCCC(OCC(=O)N)C(C)CC 7a_100011215975_100000187820 [0,0,0,0,0,2|2,0,0]=4 754 B12R0.51 CCCC(OCC(=O)[O-])C(C)CC 34a_100011215975_100020667443 [0,0,0,0,0,2|1,0,1]=4 755 B12R0.399 CCC(O)CN(CCO)CC(=O)O 269956a_100000747938_100011218378 [0,0,0,0,0,2|2,0,0]=4 756 B12R0.403 C=CC(O)CN[C@@H](CCC)C(=O)O 269956a_100000750406_100000730141 [0,0,0,0,0,2|0,0,2]=4 757 B12R0.403 CCC(C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100000748023 [0,0,0,0,0,2|2,0,0]=4 758 B12R0.403 CCC(C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100000748023 [0,0,0,0,0,2|2,0,0]=4 759 B12R0.403 CCC(C)CN[C@H](COC)C(=O)O 269956a_100011998655_100000748023 [0,0,0,0,0,2|2,0,0]=4 760 B12R0.403 CCC(O)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100011218378 [0,0,0,0,0,2|1,0,0]=3 761 B12R0.403 CCC(O)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011218378 [0,0,0,0,0,2|1,0,0]=3 762 B12R0.403 CCC(O)CN[C@H](COC)C(=O)O 269956a_100011998655_100011218378 [0,0,0,0,0,2|1,0,0]=3 763 B12R0.403 CCCC(OCC(C)CC)C(=O)N 34a_100011626294_100000748023 [0,0,0,0,0,2|2,0,0]=4 764 B12R0.403 CCCC(OCC(C)CC)C(=O)N 7a_100011626294_100000748023 [0,0,0,0,0,2|2,0,0]=4 765 B12R0.403 CCCC(OCC(O)CC)C(=O)N 34a_100011626294_100011218378 [0,0,0,0,0,2|1,0,0]=3 766 B12R0.403 CCCC(OCC(O)CC)C(=O)N 7a_100011626294_100011218378 [0,0,0,0,0,2|1,0,0]=3 767 B12R0.403 CCCC(OCC(O)CO)C(=O)N 34a_100011626294_100011219619 [0,0,0,0,0,2|2,0,0]=4 768 B12R0.403 CCCC(OCC(O)CO)C(=O)N 7a_100011626294_100011219619 [0,0,0,0,0,2|2,0,0]=4 769 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 34a_100011626294_100009816398 [0,0,0,0,0,2|2,0,0]=4 770 B12R0.403 CCCC(OC[C@@H](C)CC)C(=O)N 7a_100011626294_100009816398 [0,0,0,0,0,2|2,0,0]=4 771 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 34a_100011626294_100015614560 [0,0,0,0,0,2|2,0,0]=4 772 B12R0.403 CCCC(OC[C@@H](O)CF)C(=O)N 7a_100011626294_100015614560 [0,0,0,0,0,2|2,0,0]=4 773 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 34a_100011626294_100009815848 [0,0,0,0,0,2|2,0,0]=4 774 B12R0.403 CCCC(OC[C@@H](O)CO)C(=O)N 7a_100011626294_100009815848 [0,0,0,0,0,2|2,0,0]=4 775 B12R0.403 CCC[C@H](NCC(=O)CC)C(=O)O 269956a_100000750406_100000747405 [0,0,0,0,0,2|0,0,2]=4 776 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 2230a_100000729256_100000748023 [0,0,0,0,0,2|2,0,0]=4 777 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)N 34a_100000729256_100000748023 [0,0,0,0,0,2|2,0,0]=4 778 B12R0.403 CCC[C@H](NCC(C)CC)C(=O)O 269956a_100000750406_100000748023 [0,0,0,0,0,2|1,0,0]=3 779 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 2230a_100000729256_100011218378 [0,0,0,0,0,2|1,0,0]=3 780 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)N 34a_100000729256_100011218378 [0,0,0,0,0,2|1,0,0]=3 781 B12R0.403 CCC[C@H](NCC(O)CC)C(=O)O 269956a_100000750406_100011218378 [0,0,0,0,0,2|0,0,0]=2 782 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 2230a_100000729256_100011219619 [0,0,0,0,0,2|2,0,0]=4 783 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)N 34a_100000729256_100011219619 [0,0,0,0,0,2|2,0,0]=4 784 B12R0.403 CCC[C@H](NCC(O)CO)C(=O)O 269956a_100000750406_100011219619 [0,0,0,0,0,2|1,0,0]=3 785 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 2230a_100000729256_100009816398 [0,0,0,0,0,2|2,0,0]=4 786 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)N 34a_100000729256_100009816398 [0,0,0,0,0,2|2,0,0]=4 787 B12R0.403 CCC[C@H](NC[C@@H](C)CC)C(=O)O 269956a_100000750406_100009816398 [0,0,0,0,0,2|1,0,0]=3 788 B12R0.403 CCC[C@H](NC[C@@H](C)CO)C(=O)O 269956a_100000750406_100000059175 [0,0,0,0,0,2|2,0,0]=4 789 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 2230a_100000729256_100015614560 [0,0,0,0,0,2|2,0,0]=4 790 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)N 34a_100000729256_100015614560 [0,0,0,0,0,2|2,0,0]=4 791 B12R0.403 CCC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100000750406_100015614560 [0,0,0,0,0,2|1,0,0]=3 792 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 2230a_100000729256_100009815848 [0,0,0,0,0,2|2,0,0]=4 793 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)N 34a_100000729256_100009815848 [0,0,0,0,0,2|2,0,0]=4 794 B12R0.403 CCC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100000750406_100009815848 [0,0,0,0,0,2|1,0,0]=3 795 B12R0.403 CC[C@H](C)CN[C@@H](CSC)C(=O)O 269956a_100011421858_100009816398 [0,0,0,0,0,2|2,0,0]=4 796 B12R0.403 CC[C@H](C)CN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100009816398 [0,0,0,0,0,2|2,0,0]=4 797 B12R0.403 CC[C@H](C)CN[C@H](COC)C(=O)O 269956a_100011998655_100009816398 [0,0,0,0,0,2|2,0,0]=4 798 B12R0.403 COC[C@@H](NCC(O)CO)C(=O)O 269956a_100011998655_100011219619 [0,0,0,0,0,2|2,0,0]=4 799 B12R0.403 COC[C@@H](NC[C@@H](O)CF)C(=O)O 269956a_100011998655_100015614560 [0,0,0,0,0,2|2,0,0]=4 800 B12R0.403 COC[C@@H](NC[C@@H](O)CO)C(=O)O 269956a_100011998655_100009815848 [0,0,0,0,0,2|2,0,0]=4 801 B12R0.403 CSC[C@H](NCC(O)CO)C(=O)O 269956a_100011421858_100011219619 [0,0,0,0,0,2|2,0,0]=4 802 B12R0.403 CSC[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100011421858_100015614560 [0,0,0,0,0,2|2,0,0]=4 803 B12R0.403 CSC[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100011421858_100009815848 [0,0,0,0,0,2|2,0,0]=4 804 B12R0.403 C[Se]C[C@H](NCC(O)CO)C(=O)O 269956a_100015254316_100011219619 [0,0,0,0,0,2|2,0,0]=4 805 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CF)C(=O)O 269956a_100015254316_100015614560 [0,0,0,0,0,2|2,0,0]=4 806 B12R0.403 C[Se]C[C@H](NC[C@@H](O)CO)C(=O)O 269956a_100015254316_100009815848 [0,0,0,0,0,2|2,0,0]=4