0 B6R0.8 CC(C)(CO)N[13CH3] 2230a_100000210608_200025704644 [1,0,0,0,0,0|3,0,0]=4 1 B6R0.8 CNC(C)(C)CO 2230a_100000210608_200000210301 [1,0,0,0,0,0|3,0,0]=4 2 B6R0.9 CC[C@@H](CO)NC 2230a_100000709445_200000210301 [1,0,0,0,0,0|3,0,0]=4 3 B6R0.9 CC[C@@H](CO)N[13CH3] 2230a_100000709445_200025704644 [1,0,0,0,0,0|3,0,0]=4 4 B6R0.9 CNC(CO)CO 2230a_100000759517_200000210301 [1,0,0,0,0,0|2,0,0]=3 5 B6R0.9 [13CH3]NC(CO)CO 2230a_100000759517_200025704644 [1,0,0,0,0,0|2,0,0]=3 6 B8R0.10 CCC(CC)(CC)NC 2230a_100000760206_200000210301 [0,1,0,0,0,0|3,0,0]=4 7 B8R0.10 CCC(CC)(CC)NC 7a_106832991635_200010884430 [0,1,0,0,0,0|3,0,0]=4 8 B8R0.10 CCC(CC)(CC)N[13CH3] 2230a_100000760206_200025704644 [0,1,0,0,0,0|3,0,0]=4 9 B8R0.36 CC(=O)C(C)(CO)CO 1458a_100000693232_200000210301 [0,1,0,0,0,0|1,0,2]=4 10 B8R0.36 CC(CO)(CO)C(=O)[13CH3] 1458a_100000693232_200025704644 [0,1,0,0,0,0|1,0,2]=4 11 B8R1.60 CNC1(COC1)CO 2230a_100010290435_200000210301 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.60 [13CH3]NC1(COC1)CO 2230a_100010290435_200025704644 [0,0,0,1,0,0|3,0,0]=4 13 B5R0.3 CC(CO)S[13CH3] 62a_100012180447_200025704644 [2,0,0,0,0,0|2,0,0]=4 14 B5R0.3 CNC(C)CO 2230a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 15 B5R0.3 CNC(C)CO 34a_100102657272_100012180447 [2,0,0,0,0,0|2,0,0]=4 16 B5R0.3 CNC(C)CO 7a_106832991635_100012180447 [2,0,0,0,0,0|2,0,0]=4 17 B5R0.3 CN[C@H](C)CO 2230a_100000737577_200000210301 [2,0,0,0,0,0|2,0,0]=4 18 B5R0.3 COC(C)CO 34a_100138415774_100012180447 [2,0,0,0,0,0|2,0,0]=4 19 B5R0.3 CSC(C)CO 62a_100012180447_200000210301 [2,0,0,0,0,0|2,0,0]=4 20 B5R0.3 CS[C@H](C)CO 62a_100016084084_200000210301 [2,0,0,0,0,0|2,0,0]=4 21 B5R0.3 CS[C@H](C)CO 62a_200000210301_100016084084 [2,0,0,0,0,0|2,0,0]=4 22 B5R0.3 C[C@H](CO)N[13CH3] 2230a_100000737577_200025704644 [2,0,0,0,0,0|2,0,0]=4 23 B5R0.3 C[C@H](CO)S[13CH3] 62a_100016084084_200025704644 [2,0,0,0,0,0|2,0,0]=4 24 B5R0.3 C[C@H](CO)S[13CH3] 62a_200025704644_100016084084 [2,0,0,0,0,0|2,0,0]=4 25 B7R0.11 CC(C)(CCl)CO[13CH3] 7a_100011217199_200025704644 [1,1,0,0,0,0|2,0,0]=4 26 B7R0.11 CC(C)(CO)CN[13CH3] 2230a_100020635058_200025704644 [1,1,0,0,0,0|2,0,0]=4 27 B7R0.11 CC(C)(CO)CS[13CH3] 62a_100009813988_200025704644 [1,1,0,0,0,0|1,1,0]=4 28 B7R0.11 CC(C)(CO)CS[13CH3] 62a_200025704644_100009813988 [1,1,0,0,0,0|1,1,0]=4 29 B7R0.11 CCC(C)(C)COC 7a_100000765029_200000210301 [1,1,0,0,0,0|2,0,0]=4 30 B7R0.11 CCC(C)(C)CO[13CH3] 7a_100000765029_200025704644 [1,1,0,0,0,0|2,0,0]=4 31 B7R0.11 CCNC(C)(C)CO 2230a_100000210608_100000210202 [1,1,0,0,0,0|2,0,0]=4 32 B7R0.11 CNCC(C)(C)CO 2230a_100020635058_200000210301 [1,1,0,0,0,0|2,0,0]=4 33 B7R0.11 CNCC(C)(C)CO 34a_100102657272_100009813988 [1,1,0,0,0,0|2,0,0]=4 34 B7R0.11 CNCC(C)(C)CO 7a_106832991635_100009813988 [1,1,0,0,0,0|2,0,0]=4 35 B7R0.11 COCC(C)(C)CCl 7a_100011217199_200000210301 [1,1,0,0,0,0|2,0,0]=4 36 B7R0.11 COCC(C)(C)CO 34a_100138415774_100009813988 [1,1,0,0,0,0|1,0,0]=3 37 B7R0.11 CSCC(C)(C)CO 62a_100009813988_200000210301 [1,1,0,0,0,0|1,1,0]=4 38 B7R0.11 CSCC(C)(C)CO 62a_200000210301_100009813988 [1,1,0,0,0,0|1,1,0]=4 39 B7R0.12 CCC(CC)COC 34a_100138415774_100011215472 [1,1,0,0,0,0|2,0,0]=4 40 B7R0.12 CCC(CC)COC 7a_100000703878_200000210301 [1,1,0,0,0,0|2,0,0]=4 41 B7R0.12 CCC(CC)CO[13CH3] 7a_100000703878_200025704644 [1,1,0,0,0,0|2,0,0]=4 42 B7R0.12 CCNC(CO)CO 2230a_100000759517_100000210202 [1,1,0,0,0,0|1,0,0]=3 43 B7R0.12 CCN[C@@H](CC)CO 2230a_100000709445_100000210202 [1,1,0,0,0,0|2,0,0]=4 44 B7R0.12 CNC(CO)COC 2230a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 45 B7R0.12 CNC(CO)COC 34a_100000724102_200000210301 [1,1,0,0,0,0|2,0,0]=4 46 B7R0.12 COCC(CO)N[13CH3] 2230a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 47 B7R0.12 COCC(CO)N[13CH3] 34a_100000724102_200025704644 [1,1,0,0,0,0|2,0,0]=4 48 B7R0.15 CN[C@H](CO)[C@@H](C)O 2230a_100015196842_200000210301 [1,1,0,0,0,0|2,0,0]=4 49 B7R0.15 CN[C@H](CO)[C@@H](C)O 34a_100015196842_200000210301 [1,1,0,0,0,0|2,0,0]=4 50 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 2230a_100015196842_200025704644 [1,1,0,0,0,0|2,0,0]=4 51 B7R0.15 C[C@@H](O)[C@@H](CO)N[13CH3] 34a_100015196842_200025704644 [1,1,0,0,0,0|2,0,0]=4 52 B9R0.62 CNCC(CO)(CO)CO 34a_100102657272_100009813351 [0,2,0,0,0,0|0,0,0]=2 53 B9R0.62 CNCC(CO)(CO)CO 7a_106832991635_100009813351 [0,2,0,0,0,0|0,0,0]=2 54 B9R0.62 COCC(CO)(CO)CO 34a_100138415774_100009813351 [0,2,0,0,0,0|1,0,0]=3 55 B9R0.62 CSCC(CO)(CO)CO 62a_100009813351_200000210301 [0,2,0,0,0,0|1,0,0]=3 56 B9R0.62 CSCC(CO)(CO)CO 62a_200000210301_100009813351 [0,2,0,0,0,0|1,0,0]=3 57 B9R0.62 [13CH3]SCC(CO)(CO)CO 62a_100009813351_200025704644 [0,2,0,0,0,0|1,0,0]=3 58 B9R0.62 [13CH3]SCC(CO)(CO)CO 62a_200025704644_100009813351 [0,2,0,0,0,0|1,0,0]=3 59 B9R0.78 CCC(CO)(CO)C(=O)C 1458a_100000039496_200000210301 [0,2,0,0,0,0|2,0,0]=4 60 B9R0.78 CCC(CO)(CO)C(=O)[13CH3] 1458a_100000039496_200025704644 [0,2,0,0,0,0|2,0,0]=4 61 B9R0.78 CNC(CO)(CO)[N+](=O)[O-] 34a_100102657272_100009813326 [0,2,0,0,0,0|1,0,1]=4 62 B9R0.69 CC(CO)(CO)C(=O)CF 1458a_100000693232_100015361967 [0,2,0,0,0,0|2,0,0]=4 63 B9R0.69 CCC(=O)C(C)(CO)CO 1458a_100000693232_100000210202 [0,2,0,0,0,0|2,0,0]=4 64 B9R1.204 CNC1(CCCC1)CO 2230a_100000749328_200000210301 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.204 CNC1(CCCC1)CO 34a_100000749328_200000210301 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.204 [13CH3]NC1(CCCC1)CO 2230a_100000749328_200025704644 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.204 [13CH3]NC1(CCCC1)CO 34a_100000749328_200025704644 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.134 COCC1(CCCC1)N 34a_100000749328_200000210301 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.134 [13CH3]OCC1(CCCC1)N 34a_100000749328_200025704644 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.175 CCC1(COC1)COC 34a_100138415774_200009907690 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.175 CCC1(COC1)COC 7a_100000039901_200000210301 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.175 CCC1(COC1)CO[13CH3] 7a_100000039901_200025704644 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.175 CCNC1(COC1)CO 2230a_100010290435_100000210202 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.175 CNCC1(COC1)CO 2230a_100000069510_200000210301 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.175 CNCC1(COC1)CO 2230a_106832991635_100000685550 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.175 CNCC1(COC1)CO 34a_100102657272_100000685550 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.175 CNCC1(COC1)CO 7a_106832991635_100000685550 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.175 COCC1(COC1)CO 34a_100138415774_100000685550 [0,1,0,1,0,0|1,0,0]=3 79 B9R1.175 CSCC1(COC1)CO 62a_100000685550_200000210301 [0,1,0,1,0,0|1,1,0]=4 80 B9R1.175 CSCC1(COC1)CO 62a_200000210301_100000685550 [0,1,0,1,0,0|1,1,0]=4 81 B9R1.175 [13CH3]NCC1(COC1)CO 2230a_100000069510_200025704644 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.175 [13CH3]SCC1(COC1)CO 62a_100000685550_200025704644 [0,1,0,1,0,0|1,1,0]=4 83 B9R1.175 [13CH3]SCC1(COC1)CO 62a_200025704644_100000685550 [0,1,0,1,0,0|1,1,0]=4