0 B16R0.224 C=CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100009814027 [0,0,0,0,0,0|2,0,2]=4 1 B16R0.224 C=CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011933949 [0,0,0,0,0,0|2,0,2]=4 2 B16R0.224 C=CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011933949 [0,0,0,0,0,0|2,0,2]=4 3 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 34a_100000032740_100009813782 [0,0,0,0,0,0|4,0,0]=4 4 B16R0.224 CC(=O)C(C)COCCCCCCCCCO 7a_100000032740_100009813782 [0,0,0,0,0,0|4,0,0]=4 5 B16R0.224 CC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100009814033 [0,0,0,0,0,0|4,0,0]=4 6 B16R0.224 CC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000179758 [0,0,0,0,0,0|4,0,0]=4 7 B16R0.224 CC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000179758 [0,0,0,0,0,0|4,0,0]=4 8 B16R0.224 CC(=O)C(C)OCCCCCCCCCCO 34a_100000212229_100009813290 [0,0,0,0,0,0|4,0,0]=4 9 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100009814033 [0,0,0,0,0,0|4,0,0]=4 10 B16R0.224 CC(=O)C(C)SCCCCCCCCCCO 62a_100009814033_200000033068 [0,0,0,0,0,0|4,0,0]=4 11 B16R0.224 CC(CNCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813782 [0,0,0,0,0,0|3,0,0]=3 12 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 2230a_100000066964_100000702099 [0,0,0,0,0,0|4,0,0]=4 13 B16R0.224 CC(NCCCCCCCCCCO)C(=O)N 34a_100000066964_100000702099 [0,0,0,0,0,0|4,0,0]=4 14 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 34a_100009813290_100000702099 [0,0,0,0,0,0|4,0,0]=4 15 B16R0.224 CC(OCCCCCCCCCCBr)C(=O)N 7a_100009813290_100000702099 [0,0,0,0,0,0|4,0,0]=4 16 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 34a_200000033068_100000702099 [0,0,0,0,0,0|4,0,0]=4 17 B16R0.224 CC(OCCCCCCCCCCCl)C(=O)N 7a_200000033068_100000702099 [0,0,0,0,0,0|4,0,0]=4 18 B16R0.224 CC(OCCCCCCCCCCN)C(=O)N 34a_100000066964_100000702099 [0,0,0,0,0,0|4,0,0]=4 19 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100000702099_200000033068 [0,0,0,0,0,0|4,0,0]=4 20 B16R0.224 CC(SCCCCCCCCCCO)C(=O)N 62a_100009813290_100000702099 [0,0,0,0,0,0|4,0,0]=4 21 B16R0.224 CCC#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_200000036426 [0,0,0,0,0,0|2,0,2]=4 22 B16R0.224 CCC#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_200000036426 [0,0,0,0,0,0|2,0,2]=4 23 B16R0.224 CCCCCCCCCCCCC(=O)C(O)O 1458a_100000233687_100000759014 [0,0,0,0,0,0|0,0,4]=4 24 B16R0.224 CCCCCCCCCCCCC(=O)[C@@H](C)O 1458a_100000717761_100000759014 [0,0,0,0,0,0|1,0,3]=4 25 B16R0.224 CCCCCCCCCCCCC(=O)[C@H](C)O 1458a_217856618621_100000759014 [0,0,0,0,0,0|1,0,3]=4 26 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [0,0,0,0,0,0|3,0,0]=3 27 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [0,0,0,0,0,0|3,0,0]=3 28 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [0,0,0,0,0,0|3,0,0]=3 29 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [0,0,0,0,0,0|3,0,0]=3 30 B16R0.224 CCCCCCCCCCCNC(=O)C(=O)N 240690a_200011215754_100011215815 [0,0,0,0,0,0|2,0,2]=4 31 B16R0.224 CCCCCCCCCCCNC(C)C(=O)C 2230a_200011215754_100009814033 [0,0,0,0,0,0|3,0,0]=3 32 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 2230a_200011215754_100000702099 [0,0,0,0,0,0|3,0,0]=3 33 B16R0.224 CCCCCCCCCCCNC(C)C(=O)N 34a_200011215754_100000702099 [0,0,0,0,0,0|3,0,0]=3 34 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 2230a_200011215754_100009813875 [0,0,0,0,0,0|3,0,0]=3 35 B16R0.224 CCCCCCCCCCCNC(F)C(=O)N 34a_200011215754_100009813875 [0,0,0,0,0,0|3,0,0]=3 36 B16R0.224 CCCCCCCCCCCNC(F)C(=O)[O-] 34a_200011215754_100020610796 [0,0,0,0,0,0|2,0,1]=3 37 B16R0.224 CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011215454 [0,0,0,0,0,0|2,0,0]=2 38 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215454 [0,0,0,0,0,0|3,0,0]=3 39 B16R0.224 CCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100011215454 [0,0,0,0,0,0|3,0,0]=3 40 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100011215454 [0,0,0,0,0,0|3,0,0]=3 41 B16R0.224 CCCCCCCCCCCOC(C)C(=O)C 7a_100000210809_100000179758 [0,0,0,0,0,0|3,0,0]=3 42 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 34a_100000210809_100000702099 [0,0,0,0,0,0|3,0,0]=3 43 B16R0.224 CCCCCCCCCCCOC(C)C(=O)N 7a_100000210809_100000702099 [0,0,0,0,0,0|3,0,0]=3 44 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 34a_100000210809_100009813875 [0,0,0,0,0,0|3,0,0]=3 45 B16R0.224 CCCCCCCCCCCOC(F)C(=O)N 7a_100000210809_100009813875 [0,0,0,0,0,0|3,0,0]=3 46 B16R0.224 CCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210809_100020610796 [0,0,0,0,0,0|2,0,1]=3 47 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [0,0,0,0,0,0|2,0,1]=3 48 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100011215454 [0,0,0,0,0,0|3,0,0]=3 49 B16R0.224 CCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100011215454 [0,0,0,0,0,0|3,0,0]=3 50 B16R0.224 CCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011215454 [0,0,0,0,0,0|3,0,0]=3 51 B16R0.224 CCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011215454 [0,0,0,0,0,0|3,0,0]=3 52 B16R0.224 CCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011215454 [0,0,0,0,0,0|2,0,1]=3 53 B16R0.224 CCCCCCCCCCNCC(=O)C(=O)C 34a_100000684558_100011261029 [0,0,0,0,0,0|2,0,2]=4 54 B16R0.224 CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210320 [0,0,0,0,0,0|2,0,0]=2 55 B16R0.224 CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210320 [0,0,0,0,0,0|2,0,0]=2 56 B16R0.224 CCCCCCCCCCNCC(O)C(C)C 2230a_100000759067_100000210320 [0,0,0,0,0,0|3,0,1]=4 57 B16R0.224 CCCCCCCCCCNCC(O)C(C)C 34a_100000759067_100000210320 [0,0,0,0,0,0|3,0,1]=4 58 B16R0.224 CCCCCCCCCCOCC(=O)C(=O)C 34a_100000210711_100011261029 [0,0,0,0,0,0|2,0,2]=4 59 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100000210320 [0,0,0,0,0,0|3,0,0]=3 60 B16R0.224 CCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210320 [0,0,0,0,0,0|3,0,0]=3 61 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100000210320 [0,0,0,0,0,0|3,0,1]=4 62 B16R0.224 CCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100000210320 [0,0,0,0,0,0|3,0,1]=4 63 B16R0.224 CCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000210320 [0,0,0,0,0,0|3,0,0]=3 64 B16R0.224 CCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100000210320 [0,0,0,0,0,0|2,0,2]=4 65 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813290 [0,0,0,0,0,0|4,0,0]=4 66 B16R0.224 C[C@@H](NCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813290 [0,0,0,0,0,0|4,0,0]=4 67 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813290 [0,0,0,0,0,0|4,0,0]=4 68 B16R0.224 C[C@@H](OCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813290 [0,0,0,0,0,0|4,0,0]=4 69 B16R0.224 C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813290 [0,0,0,0,0,0|3,0,0]=3 70 B16R0.224 C[C@H](OCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813290 [0,0,0,0,0,0|3,0,1]=4 71 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 2230a_100000066964_100009813875 [0,0,0,0,0,0|4,0,0]=4 72 B16R0.224 NC(=O)C(F)NCCCCCCCCCCO 34a_100000066964_100009813875 [0,0,0,0,0,0|4,0,0]=4 73 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 34a_100009813290_100009813875 [0,0,0,0,0,0|4,0,0]=4 74 B16R0.224 NC(=O)C(F)OCCCCCCCCCCBr 7a_100009813290_100009813875 [0,0,0,0,0,0|4,0,0]=4 75 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 34a_200000033068_100009813875 [0,0,0,0,0,0|4,0,0]=4 76 B16R0.224 NC(=O)C(F)OCCCCCCCCCCCl 7a_200000033068_100009813875 [0,0,0,0,0,0|4,0,0]=4 77 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813290_100009813875 [0,0,0,0,0,0|4,0,0]=4 78 B16R0.224 NC(=O)C(F)SCCCCCCCCCCO 62a_100009813875_200000033068 [0,0,0,0,0,0|4,0,0]=4 79 B16R0.224 NC(=O)[C@@H](N)COCCCCCCCCCO 34a_100000729942_100009813782 [0,0,0,0,0,0|4,0,0]=4 80 B16R0.224 NCCCCCCCCCCOC(F)C(=O)N 34a_100000066964_100009813875 [0,0,0,0,0,0|4,0,0]=4 81 B16R0.224 NCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066964_100020610796 [0,0,0,0,0,0|3,0,1]=4 82 B16R0.224 O=C(O)C(F)CNCCCCCCCCCO 269956a_100000084737_100009813782 [0,0,0,0,0,0|3,0,0]=3 83 B16R0.224 O=C([O-])C(F)NCCCCCCCCCCO 34a_100000066964_100020610796 [0,0,0,0,0,0|3,0,1]=4 84 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCBr 34a_100009813290_100020610796 [0,0,0,0,0,0|3,0,1]=4 85 B16R0.224 O=C([O-])C(F)OCCCCCCCCCCCl 34a_200000033068_100020610796 [0,0,0,0,0,0|3,0,1]=4 86 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100009813290_100020610796 [0,0,0,0,0,0|3,0,1]=4 87 B16R0.224 O=C([O-])C(F)SCCCCCCCCCCO 62a_100020610796_200000033068 [0,0,0,0,0,0|3,0,1]=4 88 B15R0.81 C#CC(O)CCCCCNCCCCCC 2230a_100000210581_200010408556 [1,0,0,0,0,0|2,0,1]=4 89 B15R0.81 C#CC(O)CCCCCOCCCCCC 34a_100000210259_200010408556 [1,0,0,0,0,0|2,0,1]=4 90 B15R0.81 C#CC(O)CCCCCOCCCCCC 7a_100000210259_200010408556 [1,0,0,0,0,0|2,0,1]=4 91 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_100000210314_200010408556 [1,0,0,0,0,0|2,0,1]=4 92 B15R0.81 C#CC(O)CCCCCSCCCCCC 62a_200010408556_100000210757 [1,0,0,0,0,0|2,0,1]=4 93 B15R0.81 C=CC(C)COCCCCCCCCCC 34a_100011215527_100000210320 [1,0,0,0,0,0|3,0,0]=4 94 B15R0.81 C=CC(C)COCCCCCCCCCC 7a_100011215527_100000210320 [1,0,0,0,0,0|3,0,0]=4 95 B15R0.81 C=CC(O)CNCCCCCCCCCC 2230a_100000684558_100000730141 [1,0,0,0,0,0|2,0,0]=3 96 B15R0.81 C=CC(O)CNCCCCCCCCCC 34a_100000684558_100000730141 [1,0,0,0,0,0|2,0,0]=3 97 B15R0.81 C=CC(O)CNCCCCCCCCCO 2230a_100000078944_100000730141 [1,0,0,0,0,0|3,0,0]=4 98 B15R0.81 C=CC(O)CNCCCCCCCCCO 34a_100000078944_100000730141 [1,0,0,0,0,0|3,0,0]=4 99 B15R0.81 C=CC(O)COCCCCCCCCCBr 34a_100009813782_100000730141 [1,0,0,0,0,0|3,0,0]=4 100 B15R0.81 C=CC(O)COCCCCCCCCCBr 7a_100009813782_100000730141 [1,0,0,0,0,0|3,0,0]=4 101 B15R0.81 C=CC(O)COCCCCCCCCCC 34a_100000210711_100000730141 [1,0,0,0,0,0|2,0,0]=3 102 B15R0.81 C=CC(O)COCCCCCCCCCC 7a_100000210711_100000730141 [1,0,0,0,0,0|2,0,0]=3 103 B15R0.81 C=CC(O)COCCCCCCCCCCl 34a_100009868337_100000730141 [1,0,0,0,0,0|3,0,0]=4 104 B15R0.81 C=CC(O)COCCCCCCCCCCl 7a_100009868337_100000730141 [1,0,0,0,0,0|3,0,0]=4 105 B15R0.81 C=CC(O)COCCCCCCCCCN 34a_100000078944_100000730141 [1,0,0,0,0,0|3,0,0]=4 106 B15R0.81 C=CC(O)CSCCCCCCCCCC 62a_100000730141_100000210320 [1,0,0,0,0,0|2,0,0]=3 107 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100000730141_100009813782 [1,0,0,0,0,0|3,0,0]=4 108 B15R0.81 C=CC(O)CSCCCCCCCCCO 62a_100009813782_100000730141 [1,0,0,0,0,0|3,0,0]=4 109 B15R0.81 C=C[C@H](N)COCCCCCCCCCC 34a_100016989147_100000210320 [1,0,0,0,0,0|3,0,0]=4 110 B15R0.81 CCCCCCCCCCCCC(=O)CO 1458a_100000210174_100000759014 [1,0,0,0,0,0|0,0,3]=4 111 B15R0.81 CCCCCCCCCCCCC(C)NC 2230a_106832991635_200011217028 [1,0,0,0,0,0|3,0,0]=4 112 B15R0.81 CCCCCCCCCCCCC(C)NC 270004a_106832991635_100011219199 [1,0,0,0,0,0|3,0,0]=4 113 B15R0.81 CCCCCCCCCCCCC(C)NC 34a_100102657272_200011217028 [1,0,0,0,0,0|3,0,0]=4 114 B15R0.81 CCCCCCCCCCCCC(C)NC 7a_106832991635_200011217028 [1,0,0,0,0,0|3,0,0]=4 115 B15R0.81 CCCCCCCCCCCNC(C)CO 2230a_200011215754_100012180447 [1,0,0,0,0,0|2,0,1]=4 116 B15R0.81 CCCCCCCCCCCNC(C)CO 34a_200011215754_100012180447 [1,0,0,0,0,0|2,0,1]=4 117 B15R0.81 CCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215454 [1,0,0,0,0,0|2,0,1]=4 118 B15R0.81 CCCCCCCCCCCOC(C)CO 34a_100000210809_100012180447 [1,0,0,0,0,0|2,0,1]=4 119 B15R0.81 CCCCCCCCCCCOC(C)CO 7a_100000210809_100012180447 [1,0,0,0,0,0|2,0,1]=4 120 B15R0.81 CCCCCCCCCCCSC(C)CO 62a_100012180447_100011215454 [1,0,0,0,0,0|2,0,1]=4 121 B15R0.81 CCCCCCCCCCCS[C@H](C)CO 62a_100016084084_100011215454 [1,0,0,0,0,0|2,0,1]=4 122 B15R0.81 CCCCCCCCCCNCC(C)CO 34a_100000744482_100000210320 [1,0,0,0,0,0|2,0,1]=4 123 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100000684558_100011218378 [1,0,0,0,0,0|2,0,1]=4 124 B15R0.81 CCCCCCCCCCNCC(O)CC 2230a_100011218483_100000210320 [1,0,0,0,0,0|2,0,1]=4 125 B15R0.81 CCCCCCCCCCNCC(O)CC 34a_100000684558_100011218378 [1,0,0,0,0,0|2,0,1]=4 126 B15R0.81 CCCCCCCCCCNCC(O)CO 2230a_100000684558_100011219619 [1,0,0,0,0,0|1,0,1]=3 127 B15R0.81 CCCCCCCCCCNCC(O)CO 34a_100000684558_100011219619 [1,0,0,0,0,0|1,0,1]=3 128 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 2230a_100000684558_100000059175 [1,0,0,0,0,0|2,0,1]=4 129 B15R0.81 CCCCCCCCCCNC[C@@H](C)CO 34a_100000684558_100000059175 [1,0,0,0,0,0|2,0,1]=4 130 B15R0.81 CCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100000210320 [1,0,0,0,0,0|2,0,1]=4 131 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 2230a_100000684558_100015614560 [1,0,0,0,0,0|2,0,1]=4 132 B15R0.81 CCCCCCCCCCNC[C@@H](O)CF 34a_100000684558_100015614560 [1,0,0,0,0,0|2,0,1]=4 133 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 2230a_100000684558_100009815848 [1,0,0,0,0,0|1,0,1]=3 134 B15R0.81 CCCCCCCCCCNC[C@@H](O)CO 34a_100000684558_100009815848 [1,0,0,0,0,0|1,0,1]=3 135 B15R0.81 CCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100000210320 [1,0,0,0,0,0|1,0,1]=3 136 B15R0.81 CCCCCCCCCCOCC(O)CC 34a_100000210711_100011218378 [1,0,0,0,0,0|2,0,1]=4 137 B15R0.81 CCCCCCCCCCOCC(O)CC 7a_100000210711_100011218378 [1,0,0,0,0,0|2,0,1]=4 138 B15R0.81 CCCCCCCCCCOCC(O)CO 34a_100000210711_100011219619 [1,0,0,0,0,0|1,0,1]=3 139 B15R0.81 CCCCCCCCCCOCC(O)CO 7a_100000210711_100011219619 [1,0,0,0,0,0|1,0,1]=3 140 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 34a_100000210711_100000059175 [1,0,0,0,0,0|2,0,1]=4 141 B15R0.81 CCCCCCCCCCOC[C@@H](C)CO 7a_100000210711_100000059175 [1,0,0,0,0,0|2,0,1]=4 142 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 34a_100000210711_100015614560 [1,0,0,0,0,0|2,0,1]=4 143 B15R0.81 CCCCCCCCCCOC[C@@H](O)CF 7a_100000210711_100015614560 [1,0,0,0,0,0|2,0,1]=4 144 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 34a_100000210711_100009815848 [1,0,0,0,0,0|1,0,1]=3 145 B15R0.81 CCCCCCCCCCOC[C@@H](O)CO 7a_100000210711_100009815848 [1,0,0,0,0,0|1,0,1]=3 146 B15R0.81 CCCCCCCCCCSCC(O)CC 62a_100011218378_100000210320 [1,0,0,0,0,0|2,0,1]=4 147 B15R0.81 CCCCCCCCCCSCC(O)CO 62a_100011219619_100000210320 [1,0,0,0,0,0|1,0,1]=3 148 B15R0.81 CCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000210320 [1,0,0,0,0,0|2,0,1]=4 149 B15R0.81 CCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100000210320 [1,0,0,0,0,0|2,0,1]=4 150 B15R0.81 CCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210320 [1,0,0,0,0,0|1,0,1]=3 151 B15R0.81 CCCCCCCCCNCCC(C)CO 2230a_106354213184_100011214924 [1,0,0,0,0,0|2,0,1]=4 152 B15R0.81 CCCCCCCCCNCCC(C)CO 34a_106354213184_100011214924 [1,0,0,0,0,0|2,0,1]=4 153 B15R0.81 NCCCCCCCCCOCC(O)CO 34a_100000078944_100011219619 [1,0,0,0,0,0|2,0,1]=4 154 B15R0.81 NCCCCCCCCCOC[C@@H](O)CO 34a_100000078944_100009815848 [1,0,0,0,0,0|2,0,1]=4 155 B15R0.81 OCC(O)COCCCCCCCCCBr 34a_100009813782_100011219619 [1,0,0,0,0,0|2,0,1]=4 156 B15R0.81 OCC(O)COCCCCCCCCCBr 7a_100009813782_100011219619 [1,0,0,0,0,0|2,0,1]=4 157 B15R0.81 OCC(O)COCCCCCCCCCCl 34a_100009868337_100011219619 [1,0,0,0,0,0|2,0,1]=4 158 B15R0.81 OCC(O)COCCCCCCCCCCl 7a_100009868337_100011219619 [1,0,0,0,0,0|2,0,1]=4 159 B15R0.81 OCCCCCCCCCNCC(O)CO 2230a_100000078944_100011219619 [1,0,0,0,0,0|2,0,1]=4 160 B15R0.81 OCCCCCCCCCNCC(O)CO 34a_100000078944_100011219619 [1,0,0,0,0,0|2,0,1]=4 161 B15R0.81 OCCCCCCCCCNC[C@@H](O)CO 2230a_100000078944_100009815848 [1,0,0,0,0,0|2,0,1]=4 162 B15R0.81 OCCCCCCCCCNC[C@@H](O)CO 34a_100000078944_100009815848 [1,0,0,0,0,0|2,0,1]=4 163 B15R0.81 OCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813782 [1,0,0,0,0,0|2,0,1]=4 164 B15R0.81 OCCCCCCCCCSCC(O)CO 62a_100009813782_100011219619 [1,0,0,0,0,0|2,0,1]=4 165 B15R0.81 OCCCCCCCCCSCC(O)CO 62a_100011219619_100009813782 [1,0,0,0,0,0|2,0,1]=4 166 B15R0.81 OCCCCCCCCCSC[C@@H](O)CO 62a_100009813782_100009815848 [1,0,0,0,0,0|2,0,1]=4 167 B15R0.81 OCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100009813782 [1,0,0,0,0,0|2,0,1]=4 168 B15R0.81 OC[C@H](O)COCCCCCCCCCBr 34a_100009813782_100009815848 [1,0,0,0,0,0|2,0,1]=4 169 B15R0.81 OC[C@H](O)COCCCCCCCCCBr 7a_100009813782_100009815848 [1,0,0,0,0,0|2,0,1]=4 170 B15R0.81 OC[C@H](O)COCCCCCCCCCCl 34a_100009868337_100009815848 [1,0,0,0,0,0|2,0,1]=4 171 B15R0.81 OC[C@H](O)COCCCCCCCCCCl 7a_100009868337_100009815848 [1,0,0,0,0,0|2,0,1]=4 172 B15R0.84 CC(CNCCCCCCCCO)C(=O)O 269956a_100000749485_100000033203 [1,0,0,0,0,0|3,0,0]=4 173 B15R0.84 CCCCCCCCCCNC(C)C(=O)C 2230a_100000684558_100009814033 [1,0,0,0,0,0|3,0,0]=4 174 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 2230a_100000684558_100000702099 [1,0,0,0,0,0|3,0,0]=4 175 B15R0.84 CCCCCCCCCCNC(C)C(=O)N 34a_100000684558_100000702099 [1,0,0,0,0,0|3,0,0]=4 176 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 2230a_100000684558_100009813875 [1,0,0,0,0,0|3,0,0]=4 177 B15R0.84 CCCCCCCCCCNC(F)C(=O)N 34a_100000684558_100009813875 [1,0,0,0,0,0|3,0,0]=4 178 B15R0.84 CCCCCCCCCCNC(F)C(=O)[O-] 34a_100000684558_100020610796 [1,0,0,0,0,0|2,0,1]=4 179 B15R0.84 CCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210320 [1,0,0,0,0,0|2,0,0]=3 180 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210320 [1,0,0,0,0,0|3,0,0]=4 181 B15R0.84 CCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210320 [1,0,0,0,0,0|3,0,0]=4 182 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000210320 [1,0,0,0,0,0|3,0,0]=4 183 B15R0.84 CCCCCCCCCCOC(C)C(=O)C 7a_100000210711_100000179758 [1,0,0,0,0,0|3,0,0]=4 184 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 34a_100000210711_100000702099 [1,0,0,0,0,0|3,0,0]=4 185 B15R0.84 CCCCCCCCCCOC(C)C(=O)N 7a_100000210711_100000702099 [1,0,0,0,0,0|3,0,0]=4 186 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 34a_100000210711_100009813875 [1,0,0,0,0,0|3,0,0]=4 187 B15R0.84 CCCCCCCCCCOC(F)C(=O)N 7a_100000210711_100009813875 [1,0,0,0,0,0|3,0,0]=4 188 B15R0.84 CCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210711_100020610796 [1,0,0,0,0,0|2,0,1]=4 189 B15R0.84 CCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210320 [1,0,0,0,0,0|2,0,1]=4 190 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210320 [1,0,0,0,0,0|3,0,0]=4 191 B15R0.84 CCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210320 [1,0,0,0,0,0|3,0,0]=4 192 B15R0.84 CCCCCCCCCCSC(C)C(=O)C 62a_100009814033_100000210320 [1,0,0,0,0,0|3,0,0]=4 193 B15R0.84 CCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000210320 [1,0,0,0,0,0|3,0,0]=4 194 B15R0.84 CCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000210320 [1,0,0,0,0,0|3,0,0]=4 195 B15R0.84 CCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000210320 [1,0,0,0,0,0|2,0,1]=4 196 B15R0.84 CCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210670 [1,0,0,0,0,0|2,0,0]=3 197 B15R0.84 CCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210670 [1,0,0,0,0,0|2,0,0]=3 198 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011214924 [1,0,0,0,0,0|3,0,0]=4 199 B15R0.84 CCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100000210328 [1,0,0,0,0,0|3,0,0]=4 200 B15R0.84 CCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011214924 [1,0,0,0,0,0|3,0,0]=4 201 B15R0.84 C[C@H](NCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813782 [1,0,0,0,0,0|3,0,0]=4 202 B15R0.84 O=C(O)C(F)CNCCCCCCCCO 269956a_100000084737_100000033203 [1,0,0,0,0,0|3,0,0]=4 203 B15R0.164 C=C(C)CCNCCCCCCCCCC 2230a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 204 B15R0.164 C=C(C)CCNCCCCCCCCCC 34a_100000684558_100000730704 [1,0,0,0,0,0|3,0,0]=4 205 B15R0.164 C=C(C)CNCCCCCCCCCCC 2230a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 206 B15R0.164 C=C(C)CNCCCCCCCCCCC 34a_200011215754_100000748629 [1,0,0,0,0,0|3,0,0]=4 207 B15R0.164 C=C(F)CNCCCCCCCCCCC 2230a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 208 B15R0.164 C=C(F)CNCCCCCCCCCCC 34a_200011215754_100009893438 [1,0,0,0,0,0|3,0,0]=4 209 B15R0.164 C=CCCCCCCCCCNCC(=O)O 269956a_100016091260_100009814027 [1,0,0,0,0,0|1,0,2]=4 210 B15R0.164 CC(=O)CCCCCCCCCCCCO 1458a_100000070787_100009813331 [1,0,0,0,0,0|2,0,0]=3 211 B15R0.164 CC(=O)CCCCCCOCCCCCO 1458a_100000070787_200132310570 [1,0,0,0,0,0|3,0,0]=4 212 B15R0.164 CC(=O)CCCCNCCCCCCCO 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 213 B15R0.164 CC(=O)CCCCOCCCCCCCBr 34a_100000760002_100009817362 [1,0,0,0,0,0|3,0,0]=4 214 B15R0.164 CC(=O)CCCCOCCCCCCCBr 7a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 215 B15R0.164 CC(=O)CCCCOCCCCCCCN 34a_100011996573_100009817362 [1,0,0,0,0,0|3,0,0]=4 216 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000735457_100000760002 [1,0,0,0,0,0|3,0,0]=4 217 B15R0.164 CC(=O)CCCCSCCCCCCCO 62a_100000760002_100000735457 [1,0,0,0,0,0|3,0,0]=4 218 B15R0.164 CC(=O)CCCNCCCCCCCCO 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 219 B15R0.164 CC(=O)CCCOCCCCCCCCBr 34a_100009813846_100000685027 [1,0,0,0,0,0|3,0,0]=4 220 B15R0.164 CC(=O)CCCOCCCCCCCCBr 7a_100009813846_100011215641 [1,0,0,0,0,0|3,0,0]=4 221 B15R0.164 CC(=O)CCCOCCCCCCCCCl 34a_100000033203_100000685027 [1,0,0,0,0,0|3,0,0]=4 222 B15R0.164 CC(=O)CCCOCCCCCCCCCl 7a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 223 B15R0.164 CC(=O)CCCOCCCCCCCCN 34a_102515433106_100000685027 [1,0,0,0,0,0|3,0,0]=4 224 B15R0.164 CC(=O)CCCOCCCCCCCCO 34a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 225 B15R0.164 CC(=O)CCCOCCCCCCCCO 7a_100000759063_100000033203 [1,0,0,0,0,0|3,0,0]=4 226 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100000033203_100011215641 [1,0,0,0,0,0|3,0,0]=4 227 B15R0.164 CC(=O)CCCSCCCCCCCCO 62a_100011215641_100000033203 [1,0,0,0,0,0|3,0,0]=4 228 B15R0.164 CC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 229 B15R0.164 CC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000053229 [1,0,0,0,0,0|3,0,0]=4 230 B15R0.164 CC(=O)CCOCCCCCCCCCO 34a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 231 B15R0.164 CC(=O)CCOCCCCCCCCCO 7a_100000759926_100009813782 [1,0,0,0,0,0|3,0,0]=4 232 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100000053229_100009813782 [1,0,0,0,0,0|3,0,0]=4 233 B15R0.164 CC(=O)CCSCCCCCCCCCO 62a_100009813782_100000053229 [1,0,0,0,0,0|3,0,0]=4 234 B15R0.164 CC(=O)COCCCCCCCCCCO 34a_100000211253_100009813290 [1,0,0,0,0,0|3,0,0]=4 235 B15R0.164 CCCCCCCCCCCCCN(C)C 2230a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 236 B15R0.164 CCCCCCCCCCCCCN(C)C 269982a_100102631434_100000210684 [1,0,0,0,0,0|3,0,0]=4 237 B15R0.164 CCCCCCCCCCCCCN(C)C 270004a_100102631434_200011215488 [1,0,0,0,0,0|3,0,0]=4 238 B15R0.164 CCCCCCCCCCCCNC(=O)C 11a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 239 B15R0.164 CCCCCCCCCCCCNC(=O)C 1626a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 240 B15R0.164 CCCCCCCCCCCCNC(=O)C 240690a_100000210451_100015343762 [1,0,0,0,0,0|2,0,0]=3 241 B15R0.164 CCCCCCCCCCCCNC(=O)C 527a_100000210451_100103153847 [1,0,0,0,0,0|2,0,0]=3 242 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215454 [1,0,0,0,0,0|2,0,0]=3 243 B15R0.164 CCCCCCCCCCCNCC(=O)N 2230a_200011215754_100000747473 [1,0,0,0,0,0|2,0,0]=3 244 B15R0.164 CCCCCCCCCCCNCC(=O)N 34a_200011215754_100000187820 [1,0,0,0,0,0|2,0,0]=3 245 B15R0.164 CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011215454 [1,0,0,0,0,0|1,0,0]=2 246 B15R0.164 CCCCCCCCCCCNCC(=O)[O-] 34a_200011215754_100020667443 [1,0,0,0,0,0|1,0,1]=3 247 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 248 B15R0.164 CCCCCCCCCCCNCC(C)O 2230a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 249 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_100000210904_100011215454 [1,0,0,0,0,0|2,0,1]=4 250 B15R0.164 CCCCCCCCCCCNCC(C)O 34a_200011215754_100011218427 [1,0,0,0,0,0|2,0,1]=4 251 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 2230a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 252 B15R0.164 CCCCCCCCCCCNC[C@@H](C)O 34a_200011215754_100009817552 [1,0,0,0,0,0|2,0,1]=4 253 B15R0.164 CCCCCCCCCCCNC[N+](=O)[O-] 34a_200011215754_100000761209 [1,0,0,0,0,0|2,0,1]=4 254 B15R0.164 CCCCCCCCCCCOCC(=O)C 34a_100000211253_100011215454 [1,0,0,0,0,0|2,0,0]=3 255 B15R0.164 CCCCCCCCCCCOCC(=O)N 34a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 256 B15R0.164 CCCCCCCCCCCOCC(=O)N 7a_100000210809_100000187820 [1,0,0,0,0,0|2,0,0]=3 257 B15R0.164 CCCCCCCCCCCOCC(=O)[O-] 34a_100000210809_100020667443 [1,0,0,0,0,0|1,0,1]=3 258 B15R0.164 CCCCCCCCCCCOCC(C)O 34a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 259 B15R0.164 CCCCCCCCCCCOCC(C)O 7a_100000210809_100011218427 [1,0,0,0,0,0|2,0,1]=4 260 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 34a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 261 B15R0.164 CCCCCCCCCCCOC[C@@H](C)O 7a_100000210809_100009817552 [1,0,0,0,0,0|2,0,1]=4 262 B15R0.164 CCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210809_100000761209 [1,0,0,0,0,0|2,0,1]=4 263 B15R0.164 CCCCCCCCCCCSCC(=O)N 62a_100000747473_100011215454 [1,0,0,0,0,0|2,0,0]=3 264 B15R0.164 CCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100011215454 [1,0,0,0,0,0|1,0,1]=3 265 B15R0.164 CCCCCCCCCCCSCC(C)O 62a_100011218427_100011215454 [1,0,0,0,0,0|2,0,1]=4 266 B15R0.164 CCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100011215454 [1,0,0,0,0,0|2,0,1]=4 267 B15R0.164 CCCCCCCCCCNCCC(=O)N 2230a_100000684558_100000744528 [1,0,0,0,0,0|2,0,0]=3 268 B15R0.164 CCCCCCCCCCNCCC(=O)N 34a_100000684558_100000731001 [1,0,0,0,0,0|2,0,0]=3 269 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 270 B15R0.164 CCCCCCCCCCNCCC(C)O 2230a_200000755665_100000210320 [1,0,0,0,0,0|2,0,1]=4 271 B15R0.164 CCCCCCCCCCNCCC(C)O 34a_100000684558_100012276601 [1,0,0,0,0,0|2,0,1]=4 272 B15R0.164 CCCCCCCCCCNCOC(=O)C 34a_100000684558_100009813279 [1,0,0,0,0,0|3,0,0]=4 273 B15R0.164 CCCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210320 [1,0,0,0,0,0|2,0,0]=3 274 B15R0.164 CCCCCCCCCCOCCC(=O)C 34a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 275 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000210711_100000053229 [1,0,0,0,0,0|2,0,0]=3 276 B15R0.164 CCCCCCCCCCOCCC(=O)C 7a_100000759926_100000210320 [1,0,0,0,0,0|2,0,0]=3 277 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000210711_100000731001 [1,0,0,0,0,0|2,0,0]=3 278 B15R0.164 CCCCCCCCCCOCCC(=O)N 34a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 279 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000210711_100000744528 [1,0,0,0,0,0|2,0,0]=3 280 B15R0.164 CCCCCCCCCCOCCC(=O)N 7a_100000757172_100000210320 [1,0,0,0,0,0|2,0,0]=3 281 B15R0.164 CCCCCCCCCCOCCC(C)O 34a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 282 B15R0.164 CCCCCCCCCCOCCC(C)O 7a_100000210711_100012276601 [1,0,0,0,0,0|2,0,1]=4 283 B15R0.164 CCCCCCCCCCOCOC(=O)C 34a_100000210711_100009813279 [1,0,0,0,0,0|3,0,0]=4 284 B15R0.164 CCCCCCCCCCSCCC(=O)C 62a_100000053229_100000210320 [1,0,0,0,0,0|2,0,0]=3 285 B15R0.164 CCCCCCCCCCSCCC(=O)N 62a_100000744528_100000210320 [1,0,0,0,0,0|2,0,0]=3 286 B15R0.164 CCCCCCCCCCSCCC(C)O 62a_100012276601_100000210320 [1,0,0,0,0,0|2,0,1]=4 287 B15R0.164 CCCCCCCCCCSCOC(=O)C 62a_100000076356_100000210320 [1,0,0,0,0,0|3,0,0]=4 288 B15R0.164 CCCCCCCCCNCCCC(=O)C 34a_100000212291_100000685027 [1,0,0,0,0,0|2,0,0]=3 289 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000212291_100102525003 [1,0,0,0,0,0|2,0,0]=3 290 B15R0.164 CCCCCCCCCNCCCC(=O)N 34a_100000739312_100011214924 [1,0,0,0,0,0|2,0,0]=3 291 B15R0.164 CCCCCCCCCNCCCC(C)O 2230a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 292 B15R0.164 CCCCCCCCCNCCCC(C)O 34a_100000212291_200000718107 [1,0,0,0,0,0|2,0,1]=4 293 B15R0.164 CCCCCCCCCNCCCS(=O)C 2230a_200000753449_100011214924 [1,0,0,0,0,0|3,0,0]=4 294 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000209853_100011214924 [1,0,0,0,0,0|3,0,0]=4 295 B15R0.164 CCCCCCCCCNCCNC(=O)C 2230a_100000212291_100000189650 [1,0,0,0,0,0|3,0,0]=4 296 B15R0.164 CCCCCCCCCNCCNC(=O)N 2230a_100000212291_200000034859 [1,0,0,0,0,0|3,0,0]=4 297 B15R0.164 CCCCCCCCCNCCNC(=O)N 34a_100020590234_100011214924 [1,0,0,0,0,0|3,0,0]=4 298 B15R0.164 CCCCCCCCCNCCOC(=O)C 34a_100000212291_100009814007 [1,0,0,0,0,0|3,0,0]=4 299 B15R0.164 CCCCCCCCCNCCOC(=O)N 34a_100000212291_200011214921 [1,0,0,0,0,0|3,0,0]=4 300 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000210712_100000685027 [1,0,0,0,0,0|2,0,0]=3 301 B15R0.164 CCCCCCCCCOCCCC(=O)C 34a_100000759063_100011214924 [1,0,0,0,0,0|2,0,0]=3 302 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000210712_100011215641 [1,0,0,0,0,0|2,0,0]=3 303 B15R0.164 CCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210328 [1,0,0,0,0,0|2,0,0]=3 304 B15R0.164 CCCCCCCCCOCCCC(=O)N 34a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 305 B15R0.164 CCCCCCCCCOCCCC(=O)N 7a_100000210712_100102525003 [1,0,0,0,0,0|2,0,0]=3 306 B15R0.164 CCCCCCCCCOCCCC(C)O 34a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 307 B15R0.164 CCCCCCCCCOCCCC(C)O 7a_100000210712_200000718107 [1,0,0,0,0,0|2,0,1]=4 308 B15R0.164 CCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100011214924 [1,0,0,0,0,0|2,0,1]=4 309 B15R0.164 CCCCCCCCCOCCNC(=O)C 34a_100000158858_100011214924 [1,0,0,0,0,0|3,0,0]=4 310 B15R0.164 CCCCCCCCCOCCNC(=O)C 7a_100000210712_100000189650 [1,0,0,0,0,0|3,0,0]=4 311 B15R0.164 CCCCCCCCCOCCNC(=O)N 34a_100000181757_100011214924 [1,0,0,0,0,0|3,0,0]=4 312 B15R0.164 CCCCCCCCCOCCNC(=O)N 7a_100000210712_200000034859 [1,0,0,0,0,0|3,0,0]=4 313 B15R0.164 CCCCCCCCCOCCOC(=O)C 34a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 314 B15R0.164 CCCCCCCCCOCCOC(=O)C 7a_100000210712_100009814007 [1,0,0,0,0,0|3,0,0]=4 315 B15R0.164 CCCCCCCCCOCCOC(=O)N 34a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 316 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000210712_200011214921 [1,0,0,0,0,0|3,0,0]=4 317 B15R0.164 CCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210328 [1,0,0,0,0,0|3,0,0]=4 318 B15R0.164 CCCCCCCCCSCCCC(=O)C 62a_100011215641_100000210670 [1,0,0,0,0,0|2,0,0]=3 319 B15R0.164 CCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210670 [1,0,0,0,0,0|2,0,0]=3 320 B15R0.164 CCCCCCCCCSCCCC(C)O 62a_200000718107_100000210670 [1,0,0,0,0,0|2,0,1]=4 321 B15R0.164 CCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210670 [1,0,0,0,0,0|3,0,0]=4 322 B15R0.164 CCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210670 [1,0,0,0,0,0|3,0,0]=4 323 B15R0.164 CCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210670 [1,0,0,0,0,0|3,0,0]=4 324 B15R0.164 CCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210670 [1,0,0,0,0,0|3,0,0]=4 325 B15R0.164 CCCCCCCCNCCCCB(O)O 2230a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 326 B15R0.164 CCCCCCCCNCCCCB(O)O 34a_100000229939_200009817182 [1,0,0,0,0,0|2,0,1]=4 327 B15R0.164 CCCCCCCCNCCCCC(=O)C 34a_100000229939_100009817362 [1,0,0,0,0,0|2,0,0]=3 328 B15R0.164 CCCCCCCCNCCCCC(=O)N 34a_100000696515_100000210759 [1,0,0,0,0,0|2,0,0]=3 329 B15R0.164 CCCCCCCCNCCCNC(=O)C 34a_100000736810_100000210759 [1,0,0,0,0,0|3,0,0]=4 330 B15R0.164 CCCCCCCCNCCCOC(=O)C 34a_100000229939_100000042594 [1,0,0,0,0,0|3,0,0]=4 331 B15R0.164 CCCCCCCCNCCCSC(=O)C 2230a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 332 B15R0.164 CCCCCCCCNCCCSC(=O)C 34a_100000229939_100000038929 [1,0,0,0,0,0|3,0,0]=4 333 B15R0.164 CCCCCCCCNCCOCC(=O)N 2230a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 334 B15R0.164 CCCCCCCCNCCOCC(=O)N 34a_100000229939_100000076697 [1,0,0,0,0,0|3,0,0]=4 335 B15R0.164 CCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210759 [1,0,0,0,0,0|2,0,0]=3 336 B15R0.164 CCCCCCCCOCCCCB(O)O 34a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 337 B15R0.164 CCCCCCCCOCCCCB(O)O 7a_100000210232_200009817182 [1,0,0,0,0,0|2,0,1]=4 338 B15R0.164 CCCCCCCCOCCCCC(=O)C 34a_100000210232_100009817362 [1,0,0,0,0,0|2,0,0]=3 339 B15R0.164 CCCCCCCCOCCCCC(=O)C 7a_100000210232_100000735457 [1,0,0,0,0,0|2,0,0]=3 340 B15R0.164 CCCCCCCCOCCCCC(=O)N 34a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 341 B15R0.164 CCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210759 [1,0,0,0,0,0|2,0,0]=3 342 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 343 B15R0.164 CCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210759 [1,0,0,0,0,0|2,0,1]=4 344 B15R0.164 CCCCCCCCOCCCNC(=O)C 34a_100000752032_100000210759 [1,0,0,0,0,0|3,0,0]=4 345 B15R0.164 CCCCCCCCOCCCOC(=O)C 34a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 346 B15R0.164 CCCCCCCCOCCCOC(=O)C 7a_100000210232_100000042594 [1,0,0,0,0,0|3,0,0]=4 347 B15R0.164 CCCCCCCCOCCCSC(=O)C 34a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 348 B15R0.164 CCCCCCCCOCCCSC(=O)C 7a_100000210232_100000038929 [1,0,0,0,0,0|3,0,0]=4 349 B15R0.164 CCCCCCCCOCCOCC(=O)N 34a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 350 B15R0.164 CCCCCCCCOCCOCC(=O)N 7a_100000210232_100000076697 [1,0,0,0,0,0|3,0,0]=4 351 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_100000210759_200009817182 [1,0,0,0,0,0|2,0,1]=4 352 B15R0.164 CCCCCCCCSCCCCB(O)O 62a_200009817182_100000210317 [1,0,0,0,0,0|2,0,1]=4 353 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000210759_100000735457 [1,0,0,0,0,0|2,0,0]=3 354 B15R0.164 CCCCCCCCSCCCCC(=O)C 62a_100000735457_100000210317 [1,0,0,0,0,0|2,0,0]=3 355 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210317 [1,0,0,0,0,0|3,0,0]=4 356 B15R0.164 CCCCCCCCSCCCOC(=O)C 62a_100000210759_100000042594 [1,0,0,0,0,0|3,0,0]=4 357 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000038929_100000210317 [1,0,0,0,0,0|3,0,0]=4 358 B15R0.164 CCCCCCCCSCCCSC(=O)C 62a_100000210759_100000038929 [1,0,0,0,0,0|3,0,0]=4 359 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210317 [1,0,0,0,0,0|3,0,0]=4 360 B15R0.164 CCCCCCCCSCCOCC(=O)N 62a_100000210759_100000076697 [1,0,0,0,0,0|3,0,0]=4 361 B15R0.164 CCCCCCCNCCCCCB(O)O 2230a_100000229938_200009817188 [1,0,0,0,0,0|2,0,1]=4 362 B15R0.164 CCCCCCCNCCCCCC(=O)N 2230a_100000229938_100009817443 [1,0,0,0,0,0|2,0,0]=3 363 B15R0.164 CCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210681 [1,0,0,0,0,0|3,0,0]=4 364 B15R0.164 CCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210614 [1,0,0,0,0,0|3,0,0]=4 365 B15R0.164 CCCCCCCNCCCCSC(=O)C 2230a_100000229938_200010402107 [1,0,0,0,0,0|3,0,0]=4 366 B15R0.164 CCCCCCCOCCCCCB(O)O 34a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 367 B15R0.164 CCCCCCCOCCCCCB(O)O 7a_100000210272_200009817188 [1,0,0,0,0,0|2,0,1]=4 368 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 369 B15R0.164 CCCCCCCOCCCCCC(=O)N 34a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 370 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210614 [1,0,0,0,0,0|2,0,0]=3 371 B15R0.164 CCCCCCCOCCCCCC(=O)N 7a_100000210272_100009817443 [1,0,0,0,0,0|2,0,0]=3 372 B15R0.164 CCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210614 [1,0,0,0,0,0|1,0,1]=3 373 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 374 B15R0.164 CCCCCCCOCCCCOC(=O)C 34a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 375 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210614 [1,0,0,0,0,0|3,0,0]=4 376 B15R0.164 CCCCCCCOCCCCOC(=O)C 7a_100000210272_100000033659 [1,0,0,0,0,0|3,0,0]=4 377 B15R0.164 CCCCCCCOCCCCSC(=O)C 34a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 378 B15R0.164 CCCCCCCOCCCCSC(=O)C 7a_100000210272_200010402107 [1,0,0,0,0,0|3,0,0]=4 379 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_100000210614_200009817188 [1,0,0,0,0,0|2,0,1]=4 380 B15R0.164 CCCCCCCSCCCCCB(O)O 62a_200009817188_100000210316 [1,0,0,0,0,0|2,0,1]=4 381 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100000210614_100009817443 [1,0,0,0,0,0|2,0,0]=3 382 B15R0.164 CCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210316 [1,0,0,0,0,0|2,0,0]=3 383 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210316 [1,0,0,0,0,0|3,0,0]=4 384 B15R0.164 CCCCCCCSCCCCOC(=O)C 62a_100000210614_100000033659 [1,0,0,0,0,0|3,0,0]=4 385 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_100000210614_200010402107 [1,0,0,0,0,0|3,0,0]=4 386 B15R0.164 CCCCCCCSCCCCSC(=O)C 62a_200010402107_100000210316 [1,0,0,0,0,0|3,0,0]=4 387 B15R0.164 CCCCCCNCCCCCCB(O)O 2230a_100000210581_100009817187 [1,0,0,0,0,0|2,0,1]=4 388 B15R0.164 CCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 389 B15R0.164 CCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210314 [1,0,0,0,0,0|3,0,0]=4 390 B15R0.164 CCCCCCNCCCCCOC(=O)C 2230a_100000210581_100009813381 [1,0,0,0,0,0|3,0,0]=4 391 B15R0.164 CCCCCCOCCCCCCB(O)O 34a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 392 B15R0.164 CCCCCCOCCCCCCB(O)O 7a_100000210259_100009817187 [1,0,0,0,0,0|2,0,1]=4 393 B15R0.164 CCCCCCOCCCCCOC(=O)C 34a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 394 B15R0.164 CCCCCCOCCCCCOC(=O)C 7a_100000210259_100000033007 [1,0,0,0,0,0|3,0,0]=4 395 B15R0.164 CCCCCCOCCOCCCC(=O)C 34a_100000691444_100000685027 [1,0,0,0,0,0|3,0,0]=4 396 B15R0.164 CCCCCCOCCOCCCC(=O)C 7a_100000691444_100011215641 [1,0,0,0,0,0|3,0,0]=4 397 B15R0.164 CCCCCCOCCOCCCC(=O)N 34a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 398 B15R0.164 CCCCCCOCCOCCCC(=O)N 7a_100000691444_100102525003 [1,0,0,0,0,0|3,0,0]=4 399 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100000210314_100009817187 [1,0,0,0,0,0|2,0,1]=4 400 B15R0.164 CCCCCCSCCCCCCB(O)O 62a_100009817187_100000210757 [1,0,0,0,0,0|2,0,1]=4 401 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210757 [1,0,0,0,0,0|3,0,0]=4 402 B15R0.164 CCCCCCSCCCCCOC(=O)C 62a_100000210314_100000033007 [1,0,0,0,0,0|3,0,0]=4 403 B15R0.164 CCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210326 [1,0,0,0,0,0|3,0,0]=4 404 B15R0.164 CCCCCNCCCCCCNC(=O)C 34a_200011996284_100000718602 [1,0,0,0,0,0|3,0,0]=4 405 B15R0.164 CCCCCNCCOCCCCC(=O)C 34a_100000224656_100009817362 [1,0,0,0,0,0|3,0,0]=4 406 B15R0.164 CCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210326 [1,0,0,0,0,0|3,0,0]=4 407 B15R0.164 CCCCCOCCOCCCCC(=O)C 34a_100011215259_100009817362 [1,0,0,0,0,0|3,0,0]=4 408 B15R0.164 CCCCCOCCOCCCCC(=O)C 7a_100011215259_100000735457 [1,0,0,0,0,0|3,0,0]=4 409 B15R0.164 CCCCNCCCCOCCCC(=O)C 34a_200011216965_100000685027 [1,0,0,0,0,0|3,0,0]=4 410 B15R0.164 CCCCNCCCCOCCCC(=O)N 34a_200011216965_100102525003 [1,0,0,0,0,0|3,0,0]=4 411 B15R0.164 CCCCOCCCCOCCCC(=O)C 34a_200000760531_100000685027 [1,0,0,0,0,0|3,0,0]=4 412 B15R0.164 CCCCOCCCCOCCCC(=O)C 7a_200000760531_100011215641 [1,0,0,0,0,0|3,0,0]=4 413 B15R0.164 CCCCOCCCCOCCCC(=O)N 34a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 414 B15R0.164 CCCCOCCCCOCCCC(=O)N 7a_200000760531_100102525003 [1,0,0,0,0,0|3,0,0]=4 415 B15R0.164 CCCCOCCCNCCCCC(=O)C 34a_200000211371_100009817362 [1,0,0,0,0,0|3,0,0]=4 416 B15R0.164 CCCCOCCCOCCCCC(=O)C 34a_200011215613_100009817362 [1,0,0,0,0,0|3,0,0]=4 417 B15R0.164 CCCCOCCCOCCCCC(=O)C 7a_200011215613_100000735457 [1,0,0,0,0,0|3,0,0]=4 418 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 419 B15R0.164 CCCCOCCOCCCCCC(=O)N 34a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 420 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000123541_100000743108 [1,0,0,0,0,0|3,0,0]=4 421 B15R0.164 CCCCOCCOCCCCCC(=O)N 7a_100000210238_100009817443 [1,0,0,0,0,0|3,0,0]=4 422 B15R0.164 CCCCOCCOCCCCCC(=O)[O-] 7a_100102619762_100000743108 [1,0,0,0,0,0|2,0,1]=4 423 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100000743108_100009817443 [1,0,0,0,0,0|3,0,0]=4 424 B15R0.164 CCCCOCCSCCCCCC(=O)N 62a_100009817443_100000743108 [1,0,0,0,0,0|3,0,0]=4 425 B15R0.164 CCCCSCCNCCCCCC(=O)N 2230a_100025743550_100009817443 [1,0,0,0,0,0|3,0,0]=4 426 B15R0.164 CCCCSCCOCCCCCC(=O)N 34a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 427 B15R0.164 CCCCSCCOCCCCCC(=O)N 7a_200000230436_100009817443 [1,0,0,0,0,0|3,0,0]=4 428 B15R0.164 CCCOCCCNCCCCCC(=O)N 2230a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 429 B15R0.164 CCCOCCCNCCCCCC(=O)N 34a_100011217757_100009817443 [1,0,0,0,0,0|3,0,0]=4 430 B15R0.164 CCNCCCCCCCCCCC(=O)N 2230a_100015525214_200010167045 [1,0,0,0,0,0|2,0,0]=3 431 B15R0.164 CCOCCCCCCCCCCC(=O)N 34a_100121572206_200010167045 [1,0,0,0,0,0|2,0,0]=3 432 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_100000210202_200010167045 [1,0,0,0,0,0|2,0,0]=3 433 B15R0.164 CCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210202 [1,0,0,0,0,0|2,0,0]=3 434 B15R0.164 CNCCCCCOCCCCCC(=O)N 34a_100000722520_100009817443 [1,0,0,0,0,0|3,0,0]=4 435 B15R0.164 COCCCCCCNCCCCC(=O)N 34a_100000696515_100011998445 [1,0,0,0,0,0|3,0,0]=4 436 B15R0.164 COCCCCCCNCCOCC(=O)O 269956a_100000700818_100011998445 [1,0,0,0,0,0|3,0,0]=4 437 B15R0.164 COCCCCCCOCCCCC(=O)C 34a_200012092642_100009817362 [1,0,0,0,0,0|3,0,0]=4 438 B15R0.164 COCCCCCCOCCCCC(=O)C 7a_200012092642_100000735457 [1,0,0,0,0,0|3,0,0]=4 439 B15R0.164 COCCCCCCOCCCCC(=O)N 34a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 440 B15R0.164 COCCCCCCOCCCCC(=O)N 7a_100012022536_100011998445 [1,0,0,0,0,0|3,0,0]=4 441 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100000735457_100011998445 [1,0,0,0,0,0|3,0,0]=4 442 B15R0.164 COCCCCCCSCCCCC(=O)C 62a_100011998445_100000735457 [1,0,0,0,0,0|3,0,0]=4 443 B15R0.164 COCCCCCNCCCCCC(=O)N 2230a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 444 B15R0.164 COCCCCCNCCCCCC(=O)N 34a_100000747528_100009817443 [1,0,0,0,0,0|3,0,0]=4 445 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_100015361967_200010167045 [1,0,0,0,0,0|3,0,0]=4 446 B15R0.164 NC(=O)CCCCCCCCCCSCF 62a_200010167045_100015361967 [1,0,0,0,0,0|3,0,0]=4 447 B15R0.164 NC(=O)CCCCCNCCCCCCO 2230a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 448 B15R0.164 NC(=O)CCCCCNCCCCCCO 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 449 B15R0.164 NC(=O)CCCCCOCCCCCCBr 34a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 450 B15R0.164 NC(=O)CCCCCOCCCCCCBr 7a_100011215345_100009817443 [1,0,0,0,0,0|3,0,0]=4 451 B15R0.164 NC(=O)CCCCCOCCCCCCCl 34a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 452 B15R0.164 NC(=O)CCCCCOCCCCCCCl 7a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 453 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 454 B15R0.164 NC(=O)CCCCCOCCCCCCF 34a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 455 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000123541_100015922095 [1,0,0,0,0,0|3,0,0]=4 456 B15R0.164 NC(=O)CCCCCOCCCCCCF 7a_100000732779_100009817443 [1,0,0,0,0,0|3,0,0]=4 457 B15R0.164 NC(=O)CCCCCOCCCCCCO 34a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 458 B15R0.164 NC(=O)CCCCCOCCCCCCO 7a_100000123541_100000766143 [1,0,0,0,0,0|3,0,0]=4 459 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100009817443_100015922095 [1,0,0,0,0,0|3,0,0]=4 460 B15R0.164 NC(=O)CCCCCSCCCCCCF 62a_100015922095_100009817443 [1,0,0,0,0,0|3,0,0]=4 461 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100000766143_100009817443 [1,0,0,0,0,0|3,0,0]=4 462 B15R0.164 NC(=O)CCCCCSCCCCCCO 62a_100009817443_100000766143 [1,0,0,0,0,0|3,0,0]=4 463 B15R0.164 NC(=O)CCCCNCCCCCCCO 34a_100000696515_100000760002 [1,0,0,0,0,0|3,0,0]=4 464 B15R0.164 NC(=O)CCCCOCCCCCCCO 34a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 465 B15R0.164 NC(=O)CCCCOCCCCCCCO 7a_100012022536_100000760002 [1,0,0,0,0,0|3,0,0]=4 466 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_100000739312_100000033203 [1,0,0,0,0,0|3,0,0]=4 467 B15R0.164 NC(=O)CCCNCCCCCCCCO 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 468 B15R0.164 NC(=O)CCCOCCCCCCCCBr 34a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 469 B15R0.164 NC(=O)CCCOCCCCCCCCBr 7a_100009813846_100102525003 [1,0,0,0,0,0|3,0,0]=4 470 B15R0.164 NC(=O)CCCOCCCCCCCCCl 34a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 471 B15R0.164 NC(=O)CCCOCCCCCCCCCl 7a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 472 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100000033203_100102525003 [1,0,0,0,0,0|3,0,0]=4 473 B15R0.164 NC(=O)CCCSCCCCCCCCO 62a_100102525003_100000033203 [1,0,0,0,0,0|3,0,0]=4 474 B15R0.164 NC(=O)CCNCCCCCCCCCO 2230a_100000078944_100000744528 [1,0,0,0,0,0|3,0,0]=4 475 B15R0.164 NC(=O)CCNCCCCCCCCCO 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 476 B15R0.164 NC(=O)CCOCCCCCCCCCBr 34a_100009813782_100000731001 [1,0,0,0,0,0|3,0,0]=4 477 B15R0.164 NC(=O)CCOCCCCCCCCCBr 7a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 478 B15R0.164 NC(=O)CCOCCCCCCCCCCl 34a_100009868337_100000731001 [1,0,0,0,0,0|3,0,0]=4 479 B15R0.164 NC(=O)CCOCCCCCCCCCCl 7a_100009868337_100000744528 [1,0,0,0,0,0|3,0,0]=4 480 B15R0.164 NC(=O)CCOCCCCCCCCCO 34a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 481 B15R0.164 NC(=O)CCOCCCCCCCCCO 7a_100000757172_100009813782 [1,0,0,0,0,0|3,0,0]=4 482 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100000744528_100009813782 [1,0,0,0,0,0|3,0,0]=4 483 B15R0.164 NC(=O)CCSCCCCCCCCCO 62a_100009813782_100000744528 [1,0,0,0,0,0|3,0,0]=4 484 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000066964_100000747473 [1,0,0,0,0,0|3,0,0]=4 485 B15R0.164 NC(=O)CNCCCCCCCCCCO 2230a_100000711301_100009813290 [1,0,0,0,0,0|3,0,0]=4 486 B15R0.164 NC(=O)CNCCCCCCCCCCO 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 487 B15R0.164 NC(=O)COCCCCCCCCCCBr 34a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 488 B15R0.164 NC(=O)COCCCCCCCCCCBr 7a_100009813290_100000187820 [1,0,0,0,0,0|3,0,0]=4 489 B15R0.164 NC(=O)COCCCCCCCCCCCl 34a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 490 B15R0.164 NC(=O)COCCCCCCCCCCCl 7a_200000033068_100000187820 [1,0,0,0,0,0|3,0,0]=4 491 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100000747473_200000033068 [1,0,0,0,0,0|3,0,0]=4 492 B15R0.164 NC(=O)CSCCCCCCCCCCO 62a_100009813290_100000747473 [1,0,0,0,0,0|3,0,0]=4 493 B15R0.164 NCCCCCCCCCCOCC(=O)N 34a_100000066964_100000187820 [1,0,0,0,0,0|3,0,0]=4 494 B15R0.164 NCCCCCCCCCCOCC(=O)[O-] 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 495 B15R0.164 NCCCCCCCCCOCCC(=O)N 34a_100000078944_100000731001 [1,0,0,0,0,0|3,0,0]=4 496 B15R0.164 NCCCCCCCCOCCCC(=O)N 34a_102515433106_100102525003 [1,0,0,0,0,0|3,0,0]=4 497 B15R0.164 NCCCCCCOCCCCCC(=O)N 34a_100000686447_100009817443 [1,0,0,0,0,0|3,0,0]=4 498 B15R0.164 O=C(O)CNCCCCCCCCCCO 269956a_100016091260_100009813290 [1,0,0,0,0,0|2,0,0]=3 499 B15R0.164 O=C(O)COCCNCCCCCCCO 269956a_100000700818_100000760002 [1,0,0,0,0,0|3,0,0]=4 500 B15R0.164 O=C(O)CONCCCCCCCCCO 269956a_100000106656_100009813782 [1,0,0,0,0,0|3,0,0]=4 501 B15R0.164 O=C([O-])CCCCCOCCCCCCF 7a_100102619762_100015922095 [1,0,0,0,0,0|2,0,1]=4 502 B15R0.164 O=C([O-])CCCCCOCCCCCCO 7a_100102619762_100000766143 [1,0,0,0,0,0|2,0,1]=4 503 B15R0.164 O=C([O-])CNCCCCCCCCCCO 34a_100000066964_100020667443 [1,0,0,0,0,0|2,0,1]=4 504 B15R0.164 O=C([O-])COCCCCCCCCCCBr 34a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 505 B15R0.164 O=C([O-])COCCCCCCCCCCCl 34a_200000033068_100020667443 [1,0,0,0,0,0|2,0,1]=4 506 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100009813290_100020667443 [1,0,0,0,0,0|2,0,1]=4 507 B15R0.164 O=C([O-])CSCCCCCCCCCCO 62a_100020667443_200000033068 [1,0,0,0,0,0|2,0,1]=4 508 B17R0.46 CCCCCCCCCCSCC(O)S(=O)(=O)[O-] 62a_200000035551_100000210320 [0,1,0,0,0,0|2,0,1]=4 509 B17R0.46 CCCCCCCCNCCCC(O)S(=O)(=O)[O-] 34a_100000229939_200009997320 [0,1,0,0,0,0|2,0,1]=4 510 B17R0.46 CCCCCCCCOCCCC(O)S(=O)(=O)[O-] 34a_100000210232_200009997320 [0,1,0,0,0,0|2,0,1]=4 511 B17R0.46 CCCCCCCCSCCCC(O)S(=O)(=O)[O-] 62a_100000210759_200009997320 [0,1,0,0,0,0|2,0,1]=4 512 B17R0.46 CCCCCCCCSCCCC(O)S(=O)(=O)[O-] 62a_200009997320_100000210317 [0,1,0,0,0,0|2,0,1]=4 513 B17R0.188 C=CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100009814027 [0,1,0,0,0,0|1,0,2]=4 514 B17R0.188 C=C[C@H](NCCCCCCCCCCC)C(=O)O 269956a_100016992060_100011215454 [0,1,0,0,0,0|2,0,0]=3 515 B17R0.188 C=C[C@H](NCCCCCCCCCCO)C(=O)O 269956a_100016992060_100009813290 [0,1,0,0,0,0|3,0,0]=4 516 B17R0.188 CCCCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011215454 [0,1,0,0,0,0|3,0,0]=4 517 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011215454 [0,1,0,0,0,0|3,0,0]=4 518 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 2230a_200011215754_100000750255 [0,1,0,0,0,0|3,0,0]=4 519 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100011215454 [0,1,0,0,0,0|3,0,0]=4 520 B17R0.188 CCCCCCCCCCCNC(CC)C(=O)N 34a_200011215754_100000750255 [0,1,0,0,0,0|3,0,0]=4 521 B17R0.188 CCCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011215454 [0,1,0,0,0,0|1,0,0]=2 522 B17R0.188 CCCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215454 [0,1,0,0,0,0|2,0,0]=3 523 B17R0.188 CCCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100011215454 [0,1,0,0,0,0|2,0,0]=3 524 B17R0.188 CCCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100011215454 [0,1,0,0,0,0|2,0,0]=3 525 B17R0.188 CCCCCCCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215454 [0,1,0,0,0,0|2,0,1]=4 526 B17R0.188 CCCCCCCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100011215454 [0,1,0,0,0,0|2,0,1]=4 527 B17R0.188 CCCCCCCCCCCOC(CC)C(=O)N 34a_100000210809_100000750255 [0,1,0,0,0,0|3,0,0]=4 528 B17R0.188 CCCCCCCCCCCOC(CC)C(=O)N 7a_100000210809_100000750255 [0,1,0,0,0,0|3,0,0]=4 529 B17R0.188 CCCCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100011215454 [0,1,0,0,0,0|3,0,0]=4 530 B17R0.188 CC[C@@H](NCCCCCCCCCCO)C(=O)O 269956a_100000747097_100009813290 [0,1,0,0,0,0|3,0,0]=4 531 B17R0.188 NC(=O)[C@H](CO)NCCCCCCCCCCO 2230a_100000729942_100009813290 [0,1,0,0,0,0|3,0,0]=4 532 B17R0.188 NC(=O)[C@H](CO)NCCCCCCCCCCO 34a_100000729942_100009813290 [0,1,0,0,0,0|3,0,0]=4 533 B17R0.188 O=C(O)C(CO)NCCCCCCCCCCO 269956a_100000187304_100009813290 [0,1,0,0,0,0|2,0,0]=3 534 B17R0.191 CC(C(=O)O)N(C)CCCCCCCCCCO 269956a_100000749554_100009813290 [0,1,0,0,0,0|3,0,0]=4 535 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)C 1458a_100000210736_100000179758 [0,1,0,0,0,0|2,0,1]=4 536 B17R0.191 CCCCCCCCCCCC(=O)C(C)C(=O)N 1458a_100000210736_100000702099 [0,1,0,0,0,0|2,0,1]=4 537 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)N 1458a_100000210736_100009813875 [0,1,0,0,0,0|2,0,1]=4 538 B17R0.191 CCCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100000210736_100020610796 [0,1,0,0,0,0|1,0,2]=4 539 B17R0.191 CCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100011215454 [0,1,0,0,0,0|2,0,0]=3 540 B17R0.191 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000210320 [0,1,0,0,0,0|3,0,0]=4 541 B17R0.3111 CCCCCCCCCC(C)CN[C@H](C)C(=O)N 270004a_100000119354_200011218516 [0,1,0,0,0,0|3,0,0]=4 542 B17R0.3112 C=C(CNCCCCCCCCCC)C(=O)OC 34a_100000684558_100009813391 [0,1,0,0,0,0|2,0,1]=4 543 B17R0.3112 C=C(COCCCCCCCCCC)C(=O)OC 34a_100000210711_100009813391 [0,1,0,0,0,0|2,0,1]=4 544 B17R0.3112 C=C(CSCCCCCCCCCC)C(=O)OC 62a_100009813391_100000210320 [0,1,0,0,0,0|2,0,1]=4 545 B17R0.3112 C=CC(=O)N(C)CCCCCCCCCCCC 1626a_100000227908_100000185746 [0,1,0,0,0,0|3,0,0]=4 546 B17R0.3112 C=CC(=O)N(C)CCCCCCCCCCCC 240690a_100000227908_200121576911 [0,1,0,0,0,0|3,0,0]=4 547 B17R0.3112 CCCCCCCCCCCCC(=O)C(=O)NC 1458a_100011218921_100000759014 [0,1,0,0,0,0|1,0,2]=4 548 B17R0.3112 CCCCCCCCCCCCC(C)C(=O)CO 1458a_100000210174_200011217028 [0,1,0,0,0,0|1,0,0]=2 549 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 11a_100000227908_100000210414 [0,1,0,0,0,0|3,0,0]=4 550 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 1626a_100000227908_100000210414 [0,1,0,0,0,0|3,0,0]=4 551 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 240690a_100000227908_100000210414 [0,1,0,0,0,0|3,0,0]=4 552 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CC 527a_100000227908_100000210414 [0,1,0,0,0,0|3,0,0]=4 553 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 240690a_100000227908_100000210174 [0,1,0,0,0,0|2,0,0]=3 554 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)CO 527a_100000227908_100000210174 [0,1,0,0,0,0|2,0,0]=3 555 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 2708a_100102657272_100000227908 [0,1,0,0,0,0|3,0,0]=4 556 B17R0.3112 CCCCCCCCCCCCN(C)C(=O)NC 273464a_100102657272_100000227908 [0,1,0,0,0,0|3,0,0]=4 557 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 11a_200011215754_100000024059 [0,1,0,0,0,0|1,0,2]=4 558 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 1626a_200011215754_100000024059 [0,1,0,0,0,0|1,0,2]=4 559 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 240690a_200011215754_100000024059 [0,1,0,0,0,0|1,0,2]=4 560 B17R0.3112 CCCCCCCCCCCNC(=O)C(=O)OC 527a_200011215754_100000024059 [0,1,0,0,0,0|1,0,2]=4 561 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)CC 2230a_200011215754_100000742827 [0,1,0,0,0,0|3,0,0]=4 562 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)NC 2230a_200011215754_100000731044 [0,1,0,0,0,0|3,0,0]=4 563 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)NC 34a_200011215754_100000731044 [0,1,0,0,0,0|3,0,0]=4 564 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)OC 2230a_200011215754_100000211248 [0,1,0,0,0,0|2,0,0]=3 565 B17R0.3112 CCCCCCCCCCCNC(C)C(=O)OC 34a_200011215754_100000211248 [0,1,0,0,0,0|2,0,0]=3 566 B17R0.3112 CCCCCCCCCCCNC(F)C(=O)NC 2230a_200011215754_100009813575 [0,1,0,0,0,0|3,0,0]=4 567 B17R0.3112 CCCCCCCCCCCNC(F)C(=O)NC 34a_200011215754_100009813575 [0,1,0,0,0,0|3,0,0]=4 568 B17R0.3112 CCCCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215454 [0,1,0,0,0,0|3,0,0]=4 569 B17R0.3112 CCCCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100011215454 [0,1,0,0,0,0|3,0,0]=4 570 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)CC 7a_100000210809_100000742827 [0,1,0,0,0,0|3,0,0]=4 571 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NC 34a_100000210809_100000731044 [0,1,0,0,0,0|3,0,0]=4 572 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NC 7a_100000210809_100000209862 [0,1,0,0,0,0|3,0,0]=4 573 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100011215454 [0,1,0,0,0,0|3,0,0]=4 574 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 34a_100000210809_100000211248 [0,1,0,0,0,0|2,0,0]=3 575 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100011215454 [0,1,0,0,0,0|2,0,0]=3 576 B17R0.3112 CCCCCCCCCCCOC(C)C(=O)OC 7a_100000210809_100000211248 [0,1,0,0,0,0|2,0,0]=3 577 B17R0.3112 CCCCCCCCCCCOC(F)C(=O)NC 34a_100000210809_100009813575 [0,1,0,0,0,0|3,0,0]=4 578 B17R0.3112 CCCCCCCCCCCOC(F)C(=O)NC 7a_100000210809_100009813575 [0,1,0,0,0,0|3,0,0]=4 579 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100011215454 [0,1,0,0,0,0|3,0,0]=4 580 B17R0.3112 CCCCCCCCCCCSC(C)C(=O)OC 62a_100000211248_100011215454 [0,1,0,0,0,0|2,0,0]=3 581 B17R0.3112 CCCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100011215454 [0,1,0,0,0,0|3,0,0]=4 582 B17R0.3112 CCCCCCCCCCNCC(=O)C(=O)OC 34a_100000684558_100011610305 [0,1,0,0,0,0|1,0,2]=4 583 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100000210320 [0,1,0,0,0,0|3,0,0]=4 584 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100000210320 [0,1,0,0,0,0|3,0,0]=4 585 B17R0.3112 CCCCCCCCCCNCC(C)C(=O)OC 34a_100000684558_100000698445 [0,1,0,0,0,0|2,0,0]=3 586 B17R0.3112 CCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210711_100011610305 [0,1,0,0,0,0|1,0,2]=4 587 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000210711_100000698445 [0,1,0,0,0,0|2,0,0]=3 588 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100000210320 [0,1,0,0,0,0|2,0,0]=3 589 B17R0.3112 CCCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100000210320 [0,1,0,0,0,0|2,0,0]=3 590 B17R0.3112 CCCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100000210320 [0,1,0,0,0,0|2,0,0]=3 591 B17R0.3112 CCCCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100000210320 [0,1,0,0,0,0|3,0,0]=4 592 B17R0.3112 CCCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100000210320 [0,1,0,0,0,0|2,0,0]=3 593 B17R0.3112 CCCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100000210320 [0,1,0,0,0,0|1,0,2]=4 594 B17R0.3112 CCCCCCCCCCSCC(C)C(=O)OC 62a_100000698445_100000210320 [0,1,0,0,0,0|2,0,0]=3 595 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 2230a_100000212291_100000034942 [0,1,0,0,0,0|2,0,0]=3 596 B17R0.3112 CCCCCCCCCNCCC(C)C(=O)OC 34a_100000212291_100000034942 [0,1,0,0,0,0|2,0,0]=3 597 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 34a_100000210712_100000034942 [0,1,0,0,0,0|2,0,0]=3 598 B17R0.3112 CCCCCCCCCOCCC(C)C(=O)OC 7a_100000210712_100000034942 [0,1,0,0,0,0|2,0,0]=3 599 B17R0.3112 CCCCCCCCCSCCC(C)C(=O)OC 62a_100000034942_100000210670 [0,1,0,0,0,0|2,0,0]=3 600 B17R0.3112 CCCCCCOCCOCCC(C)C(=O)OC 34a_100000691444_100000034942 [0,1,0,0,0,0|3,0,0]=4 601 B17R0.3112 CCCCCCOCCOCCC(C)C(=O)OC 7a_100000691444_100000034942 [0,1,0,0,0,0|3,0,0]=4 602 B17R0.3112 CCCCNCCCCOCCC(C)C(=O)OC 34a_200011216965_100000034942 [0,1,0,0,0,0|3,0,0]=4 603 B17R0.3112 CCCCOCCCCOCCC(C)C(=O)OC 34a_200000760531_100000034942 [0,1,0,0,0,0|3,0,0]=4 604 B17R0.3112 CCCCOCCCCOCCC(C)C(=O)OC 7a_200000760531_100000034942 [0,1,0,0,0,0|3,0,0]=4 605 B17R0.3112 COC(=O)C(C)CCNCCCCCCCCO 2230a_102515433106_100000034942 [0,1,0,0,0,0|3,0,0]=4 606 B17R0.3112 COC(=O)C(C)CCNCCCCCCCCO 34a_102515433106_100000034942 [0,1,0,0,0,0|3,0,0]=4 607 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCBr 34a_100009813846_100000034942 [0,1,0,0,0,0|3,0,0]=4 608 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCBr 7a_100009813846_100000034942 [0,1,0,0,0,0|3,0,0]=4 609 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCCl 34a_100000033203_100000034942 [0,1,0,0,0,0|3,0,0]=4 610 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCCl 7a_100000033203_100000034942 [0,1,0,0,0,0|3,0,0]=4 611 B17R0.3112 COC(=O)C(C)CCOCCCCCCCCN 34a_102515433106_100000034942 [0,1,0,0,0,0|3,0,0]=4 612 B17R0.3112 COC(=O)C(C)CCSCCCCCCCCO 62a_100000033203_100000034942 [0,1,0,0,0,0|3,0,0]=4 613 B17R0.3112 COC(=O)C(C)CCSCCCCCCCCO 62a_100000034942_100000033203 [0,1,0,0,0,0|3,0,0]=4 614 B17R0.3112 COC(=O)C(C)CNCCCCCCCCCO 34a_100000078944_100000698445 [0,1,0,0,0,0|3,0,0]=4 615 B17R0.3112 COC(=O)C(C)COCCCCCCCCCBr 34a_100009813782_100000698445 [0,1,0,0,0,0|3,0,0]=4 616 B17R0.3112 COC(=O)C(C)COCCCCCCCCCCl 34a_100009868337_100000698445 [0,1,0,0,0,0|3,0,0]=4 617 B17R0.3112 COC(=O)C(C)COCCCCCCCCCN 34a_100000078944_100000698445 [0,1,0,0,0,0|3,0,0]=4 618 B17R0.3112 COC(=O)C(C)COCCCCCCCCCO 34a_100000749362_100009813782 [0,1,0,0,0,0|3,0,0]=4 619 B17R0.3112 COC(=O)C(C)COCCCCCCCCCO 7a_100000749362_100009813782 [0,1,0,0,0,0|3,0,0]=4 620 B17R0.3112 COC(=O)C(C)CSCCCCCCCCCO 62a_100000698445_100009813782 [0,1,0,0,0,0|3,0,0]=4 621 B17R0.3112 COC(=O)C(C)CSCCCCCCCCCO 62a_100009813782_100000698445 [0,1,0,0,0,0|3,0,0]=4 622 B17R0.3112 COC(=O)C(C)NCCCCCCCCCCO 2230a_100000066964_100000211248 [0,1,0,0,0,0|3,0,0]=4 623 B17R0.3112 COC(=O)C(C)NCCCCCCCCCCO 34a_100000066964_100000211248 [0,1,0,0,0,0|3,0,0]=4 624 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCBr 34a_100009813290_100000211248 [0,1,0,0,0,0|3,0,0]=4 625 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCBr 7a_100009813290_100000211248 [0,1,0,0,0,0|3,0,0]=4 626 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCCl 34a_200000033068_100000211248 [0,1,0,0,0,0|3,0,0]=4 627 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCCl 7a_200000033068_100000211248 [0,1,0,0,0,0|3,0,0]=4 628 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCN 34a_100000066964_100000211248 [0,1,0,0,0,0|3,0,0]=4 629 B17R0.3112 COC(=O)C(C)OCCCCCCCCCCO 34a_100011215400_100009813290 [0,1,0,0,0,0|3,0,0]=4 630 B17R0.3112 COC(=O)C(C)SCCCCCCCCCCO 62a_100000211248_200000033068 [0,1,0,0,0,0|3,0,0]=4 631 B17R0.3112 COC(=O)C(C)SCCCCCCCCCCO 62a_100009813290_100000211248 [0,1,0,0,0,0|3,0,0]=4 632 B17R0.3112 COC(=O)C(F)COCCCCCCCCCO 34a_200009849844_100009813782 [0,1,0,0,0,0|3,0,0]=4 633 B17R0.3112 COC(=O)[C@H](N)COCCCCCCCCCO 34a_100000003586_100009813782 [0,1,0,0,0,0|3,0,0]=4 634 B17R0.3218 CC(C)(CNCCCCCCCCCO)C(=O)O 269956a_100000693527_100009813782 [0,1,0,0,0,0|3,0,0]=4 635 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215454 [0,1,0,0,0,0|3,0,0]=4 636 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_200011215754_100000702505 [0,1,0,0,0,0|3,0,0]=4 637 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011215454 [0,1,0,0,0,0|3,0,0]=4 638 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_200011215754_100000702505 [0,1,0,0,0,0|3,0,0]=4 639 B17R0.3218 CCCCCCCCCCCNC(F)(F)C(=O)[O-] 34a_200011215754_100020612412 [0,1,0,0,0,0|2,0,1]=4 640 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011215454 [0,1,0,0,0,0|3,0,0]=4 641 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000210809_100000075568 [0,1,0,0,0,0|3,0,0]=4 642 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100011215454 [0,1,0,0,0,0|3,0,0]=4 643 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210809_100000702505 [0,1,0,0,0,0|3,0,0]=4 644 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011215454 [0,1,0,0,0,0|3,0,0]=4 645 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210809_100000702505 [0,1,0,0,0,0|3,0,0]=4 646 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100011215454 [0,1,0,0,0,0|3,0,0]=4 647 B17R0.3218 CCCCCCCCCCCOC(F)(F)C(=O)N 7a_100000210809_100009811971 [0,1,0,0,0,0|3,0,0]=4 648 B17R0.3218 CCCCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210809_100020612412 [0,1,0,0,0,0|2,0,1]=4 649 B17R0.3218 CCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100011215454 [0,1,0,0,0,0|3,0,0]=4 650 B17R0.3218 CCCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100011215454 [0,1,0,0,0,0|3,0,0]=4 651 B17R0.3218 CCCCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100011215454 [0,1,0,0,0,0|2,0,1]=4 652 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210320 [0,1,0,0,0,0|3,0,0]=4 653 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000684558_200009895572 [0,1,0,0,0,0|3,0,0]=4 654 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210320 [0,1,0,0,0,0|3,0,0]=4 655 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210320 [0,1,0,0,0,0|2,0,0]=3 656 B17R0.3218 CCCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210320 [0,1,0,0,0,0|2,0,0]=3 657 B17R0.3218 CCCCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100000210320 [0,1,0,0,0,0|3,0,0]=4 658 B17R0.3218 CCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210711_200009895572 [0,1,0,0,0,0|3,0,0]=4 659 B17R0.3218 CCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210320 [0,1,0,0,0,0|3,0,0]=4 660 B17R0.3218 O=C(O)C(F)(F)CNCCCCCCCCCO 269956a_100000734215_100009813782 [0,1,0,0,0,0|3,0,0]=4 661 B17R0.13610 CCCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_200011219864 [0,1,0,0,0,0|3,0,0]=4 662 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)C 7a_100011215000_100000179758 [0,1,0,0,0,0|3,0,0]=4 663 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)N 34a_100011215000_100000702099 [0,1,0,0,0,0|3,0,0]=4 664 B17R0.13610 CCCCCCCCCCC(C)OC(C)C(=O)N 7a_100011215000_100000702099 [0,1,0,0,0,0|3,0,0]=4 665 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)N 34a_100011215000_100009813875 [0,1,0,0,0,0|3,0,0]=4 666 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)N 7a_100011215000_100009813875 [0,1,0,0,0,0|3,0,0]=4 667 B17R0.13610 CCCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011215000_100020610796 [0,1,0,0,0,0|2,0,1]=4 668 B17R0.14245 C=CCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100011093070 [0,1,0,0,0,0|1,0,2]=4 669 B17R0.14245 C=CCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100009814027 [0,1,0,0,0,0|1,0,2]=4 670 B17R0.14245 C=CCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100009814027 [0,1,0,0,0,0|1,0,2]=4 671 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 34a_100000032740_100009813290 [0,1,0,0,0,0|3,0,0]=4 672 B17R0.14245 CC(=O)C(C)COCCCCCCCCCCO 7a_100000032740_100009813290 [0,1,0,0,0,0|3,0,0]=4 673 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000179758 [0,1,0,0,0,0|3,0,0]=4 674 B17R0.14245 CC(=O)C(C)OCCCCCCCCCCCO 34a_100000212229_100009812471 [0,1,0,0,0,0|3,0,0]=4 675 B17R0.14245 CC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100009814033 [0,1,0,0,0,0|3,0,0]=4 676 B17R0.14245 CC(CNCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009813290 [0,1,0,0,0,0|2,0,0]=3 677 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 34a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 678 B17R0.14245 CC(OCCCCCCCCCCCBr)C(=O)N 7a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 679 B17R0.14245 CC(SCCCCCCCCCCCO)C(=O)N 62a_100009812471_100000702099 [0,1,0,0,0,0|3,0,0]=4 680 B17R0.14245 CCCCC#CCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_200000043322 [0,1,0,0,0,0|1,0,2]=4 681 B17R0.14245 CCCCCCCCCCCCNC(=O)C(=O)N 240690a_100000210451_100011215815 [0,1,0,0,0,0|1,0,2]=4 682 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)C 2230a_100000210451_100009814033 [0,1,0,0,0,0|2,0,0]=3 683 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 2230a_100000210451_100000702099 [0,1,0,0,0,0|2,0,0]=3 684 B17R0.14245 CCCCCCCCCCCCNC(C)C(=O)N 34a_100000210451_100000702099 [0,1,0,0,0,0|2,0,0]=3 685 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 2230a_100000210451_100009813875 [0,1,0,0,0,0|2,0,0]=3 686 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)N 34a_100000210451_100009813875 [0,1,0,0,0,0|2,0,0]=3 687 B17R0.14245 CCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100000210451_100020610796 [0,1,0,0,0,0|1,0,1]=3 688 B17R0.14245 CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000759014 [0,1,0,0,0,0|1,0,0]=2 689 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100011215052 [0,1,0,0,0,0|2,0,0]=3 690 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_100011218549 [0,1,0,0,0,0|2,0,0]=3 691 B17R0.14245 CCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000759014 [0,1,0,0,0,0|2,0,0]=3 692 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 34a_100000212229_100000759014 [0,1,0,0,0,0|2,0,0]=3 693 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)C 7a_100000210810_100000179758 [0,1,0,0,0,0|2,0,0]=3 694 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 34a_100000210810_100000702099 [0,1,0,0,0,0|2,0,0]=3 695 B17R0.14245 CCCCCCCCCCCCOC(C)C(=O)N 7a_100000210810_100000702099 [0,1,0,0,0,0|2,0,0]=3 696 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 34a_100000210810_100009813875 [0,1,0,0,0,0|2,0,0]=3 697 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)N 7a_100000210810_100009813875 [0,1,0,0,0,0|2,0,0]=3 698 B17R0.14245 CCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000210810_100020610796 [0,1,0,0,0,0|1,0,1]=3 699 B17R0.14245 CCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000759014 [0,1,0,0,0,0|1,0,1]=3 700 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000759014 [0,1,0,0,0,0|2,0,0]=3 701 B17R0.14245 CCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000759014 [0,1,0,0,0,0|2,0,0]=3 702 B17R0.14245 CCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100000759014 [0,1,0,0,0,0|2,0,0]=3 703 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100000759014 [0,1,0,0,0,0|2,0,0]=3 704 B17R0.14245 CCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100000759014 [0,1,0,0,0,0|1,0,1]=3 705 B17R0.14245 CCCCCCCCCCCNCC(=O)C(=O)C 34a_200011215754_100011261029 [0,1,0,0,0,0|1,0,2]=4 706 B17R0.14245 CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011215454 [0,1,0,0,0,0|1,0,0]=2 707 B17R0.14245 CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011215454 [0,1,0,0,0,0|1,0,0]=2 708 B17R0.14245 CCCCCCCCCCCNCC(O)C(C)C 2230a_100000759067_100011215454 [0,1,0,0,0,0|2,0,1]=4 709 B17R0.14245 CCCCCCCCCCCNCC(O)C(C)C 34a_100000759067_100011215454 [0,1,0,0,0,0|2,0,1]=4 710 B17R0.14245 CCCCCCCCCCCOCC(=O)C(=O)C 34a_100000210809_100011261029 [0,1,0,0,0,0|1,0,2]=4 711 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 34a_100000032740_100011215454 [0,1,0,0,0,0|2,0,0]=3 712 B17R0.14245 CCCCCCCCCCCOCC(C)C(=O)C 7a_100000032740_100011215454 [0,1,0,0,0,0|2,0,0]=3 713 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 34a_100000039676_100011215454 [0,1,0,0,0,0|2,0,1]=4 714 B17R0.14245 CCCCCCCCCCCOCC(C)[N+](=O)[O-] 7a_100000039676_100011215454 [0,1,0,0,0,0|2,0,1]=4 715 B17R0.14245 CCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100011215454 [0,1,0,0,0,0|2,0,0]=3 716 B17R0.14245 CCCCCCCCCCCSCC(=O)C(=O)C 62a_100011261029_100011215454 [0,1,0,0,0,0|1,0,2]=4 717 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)C 7a_100009875440_100000179758 [0,1,0,0,0,0|3,0,0]=4 718 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 34a_100009875440_100000702099 [0,1,0,0,0,0|3,0,0]=4 719 B17R0.14245 CCOCCCCCCCCCOC(C)C(=O)N 7a_100009875440_100000702099 [0,1,0,0,0,0|3,0,0]=4 720 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 34a_100009875440_100009813875 [0,1,0,0,0,0|3,0,0]=4 721 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)N 7a_100009875440_100009813875 [0,1,0,0,0,0|3,0,0]=4 722 B17R0.14245 CCOCCCCCCCCCOC(F)C(=O)[O-] 34a_100009875440_100020610796 [0,1,0,0,0,0|2,0,1]=4 723 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009812471 [0,1,0,0,0,0|3,0,0]=4 724 B17R0.14245 C[C@@H](NCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009812471 [0,1,0,0,0,0|3,0,0]=4 725 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009812471 [0,1,0,0,0,0|3,0,0]=4 726 B17R0.14245 C[C@@H](OCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009812471 [0,1,0,0,0,0|3,0,0]=4 727 B17R0.14245 C[C@H](NCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009812471 [0,1,0,0,0,0|2,0,0]=3 728 B17R0.14245 C[C@H](OCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009812471 [0,1,0,0,0,0|2,0,1]=4 729 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 34a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 730 B17R0.14245 NC(=O)C(F)OCCCCCCCCCCCBr 7a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 731 B17R0.14245 NC(=O)C(F)SCCCCCCCCCCCO 62a_100009812471_100009813875 [0,1,0,0,0,0|3,0,0]=4 732 B17R0.14245 NC(=O)[C@@H](N)COCCCCCCCCCCO 34a_100000729942_100009813290 [0,1,0,0,0,0|3,0,0]=4 733 B17R0.14245 O=C(O)C(F)CNCCCCCCCCCCO 269956a_100000084737_100009813290 [0,1,0,0,0,0|2,0,0]=3 734 B17R0.14245 O=C([O-])C(F)OCCCCCCCCCCCBr 34a_100009812471_100020610796 [0,1,0,0,0,0|2,0,1]=4 735 B17R0.14245 O=C([O-])C(F)SCCCCCCCCCCCO 62a_100009812471_100020610796 [0,1,0,0,0,0|2,0,1]=4 736 B17R1.5249 CCCCCCCCCCCNC1CCC1=O 34a_200011215754_100009892977 [0,0,0,1,0,0|3,0,0]=4 737 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 34a_100000210809_100009892977 [0,0,0,1,0,0|3,0,0]=4 738 B17R1.5249 CCCCCCCCCCCOC1CCC1=O 7a_100000210809_100009892977 [0,0,0,1,0,0|3,0,0]=4 739 B17R1.5249 CCCCCCCCCCCSC1CCC1=O 62a_100009892977_100011215454 [0,0,0,1,0,0|3,0,0]=4 740 B17R1.5249 CCCCCCCCCNCCC1CCC1=O 2230a_100000212291_200016118888 [0,0,0,1,0,0|3,0,0]=4 741 B17R1.5249 CCCCCCCCCOCCC1CCC1=O 7a_100000210712_200016118888 [0,0,0,1,0,0|3,0,0]=4 742 B17R1.5249 CCCCCCCCCSCCC1CCC1=O 62a_200016118888_100000210670 [0,0,0,1,0,0|3,0,0]=4 743 B17R1.10852 CCCCCCCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100011214924 [0,0,0,1,0,0|2,0,1]=4 744 B17R1.10852 CCCCCCCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210670 [0,0,0,1,0,0|2,0,1]=4 745 B17R1.16925 CCCCCCCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100000210320 [0,0,0,1,0,0|2,0,1]=4 746 B17R1.16925 CCCCCCCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100000210320 [0,0,0,1,0,0|2,0,1]=4 747 B17R1.25095 CCCCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_100000189428 [0,0,0,1,0,0|3,0,0]=4 748 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100011214924 [0,0,0,1,0,0|3,0,0]=4 749 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210670 [0,0,0,1,0,0|3,0,0]=4 750 B17R1.25283 CCCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100011214924 [0,0,0,1,0,0|3,0,0]=4 751 B17R1.25283 CCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210759 [0,0,0,1,0,0|2,0,0]=3 752 B17R1.25283 COCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100011998445 [0,0,0,1,0,0|3,0,0]=4 753 B17R1.25283 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCCO 269956a_100015195206_100000760002 [0,0,0,1,0,0|3,0,0]=4 754 B17R1.29207 CCCCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100000210320 [0,0,0,1,0,0|3,0,0]=4 755 B17R1.29207 CCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210670 [0,0,0,1,0,0|2,0,0]=3 756 B17R1.29207 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCCO 269956a_100000738708_100000033203 [0,0,0,1,0,0|3,0,0]=4 757 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100000210759 [0,0,0,1,0,0|3,0,0]=4 758 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210759 [0,0,0,1,0,0|3,0,0]=4 759 B17R1.29491 CCCCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100000210759 [0,0,0,1,0,0|3,0,0]=4 760 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210681 [0,0,0,1,0,0|3,0,0]=4 761 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210614 [0,0,0,1,0,0|3,0,0]=4 762 B17R1.29491 CCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210614 [0,0,0,1,0,0|2,0,0]=3 763 B17R1.29491 CCCCOCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000743108 [0,0,0,1,0,0|3,0,0]=4 764 B17R1.29491 O=C(O)C1CCCC(C1)NCCCCCCF 269956a_100011216634_100015922095 [0,0,0,1,0,0|3,0,0]=4 765 B17R1.29491 O=C(O)C1CCCC(C1)NCCCCCCO 269956a_100011216634_100000766143 [0,0,0,1,0,0|3,0,0]=4 766 B17R1.34633 CC1(CCCCN1CCCCCCF)C(=O)O 269956a_100000698061_100015922095 [0,0,0,1,0,0|3,0,0]=4 767 B17R1.34633 CC1(CCCCN1CCCCCCO)C(=O)O 269956a_100000698061_100000766143 [0,0,0,1,0,0|3,0,0]=4 768 B17R1.34633 CCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210614 [0,0,0,1,0,0|2,0,0]=3 769 B17R1.34633 CCCCOCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000743108 [0,0,0,1,0,0|3,0,0]=4 770 B17R1.60419 CCCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210759 [0,0,0,1,0,0|2,0,0]=3 771 B17R1.60419 COCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100011998445 [0,0,0,1,0,0|3,0,0]=4 772 B17R1.60419 C[C@]1(CCCN1CCCCCCCO)C(=O)O 269956a_100009816582_100000760002 [0,0,0,1,0,0|3,0,0]=4 773 B17R0.116 C=CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011933949 [0,0,0,0,0,1|1,0,2]=4 774 B17R0.116 CCC#CCCCCCCNCC(O)CC(=O)O 269956a_100011218706_200000036426 [0,0,0,0,0,1|1,0,2]=4 775 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [0,0,0,0,0,1|1,0,2]=4 776 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [0,0,0,0,0,1|1,0,2]=4 777 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [0,0,0,0,0,1|0,0,3]=4 778 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [0,0,0,0,0,1|3,0,0]=4 779 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [0,0,0,0,0,1|3,0,0]=4 780 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [0,0,0,0,0,1|3,0,0]=4 781 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [0,0,0,0,0,1|3,0,0]=4 782 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [0,0,0,0,0,1|2,0,0]=3 783 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [0,0,0,0,0,1|2,0,1]=4 784 B17R0.116 CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210320 [0,0,0,0,0,1|1,0,0]=2 785 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [0,0,0,0,0,1|3,0,0]=4 786 B17R0.116 O=C(O)CC(O)CNCCCCCCCCCO 269956a_100011218706_100009813782 [0,0,0,0,0,1|2,0,0]=3 787 B14R0.337 C=CC(O)CNCCCCCCCCC 2230a_100000212291_100000730141 [2,0,0,0,0,0|2,0,0]=4 788 B14R0.337 C=CC(O)CNCCCCCCCCC 34a_100000212291_100000730141 [2,0,0,0,0,0|2,0,0]=4 789 B14R0.337 C=CC(O)COCCCCCCCCC 34a_100000210712_100000730141 [2,0,0,0,0,0|2,0,0]=4 790 B14R0.337 C=CC(O)COCCCCCCCCC 7a_100000210712_100000730141 [2,0,0,0,0,0|2,0,0]=4 791 B14R0.337 C=CC(O)CSCCCCCCCCC 62a_100000730141_100000210670 [2,0,0,0,0,0|2,0,0]=4 792 B14R0.337 CCCCCCCCCNCC(O)CO 2230a_100000212291_100011219619 [2,0,0,0,0,0|1,0,1]=4 793 B14R0.337 CCCCCCCCCNCC(O)CO 34a_100000212291_100011219619 [2,0,0,0,0,0|1,0,1]=4 794 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 2230a_100000212291_100009815848 [2,0,0,0,0,0|1,0,1]=4 795 B14R0.337 CCCCCCCCCNC[C@@H](O)CO 34a_100000212291_100009815848 [2,0,0,0,0,0|1,0,1]=4 796 B14R0.337 CCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011214924 [2,0,0,0,0,0|1,0,1]=4 797 B14R0.337 CCCCCCCCCOCC(O)CO 34a_100000210712_100011219619 [2,0,0,0,0,0|1,0,1]=4 798 B14R0.337 CCCCCCCCCOCC(O)CO 7a_100000210712_100011219619 [2,0,0,0,0,0|1,0,1]=4 799 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 34a_100000210712_100009815848 [2,0,0,0,0,0|1,0,1]=4 800 B14R0.337 CCCCCCCCCOC[C@@H](O)CO 7a_100000210712_100009815848 [2,0,0,0,0,0|1,0,1]=4 801 B14R0.337 CCCCCCCCCSCC(O)CO 62a_100011219619_100000210670 [2,0,0,0,0,0|1,0,1]=4 802 B14R0.337 CCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100000210670 [2,0,0,0,0,0|1,0,1]=4 803 B14R0.392 C=CCCCCCCCCCCCNC 2230a_106832991635_102130925996 [2,0,0,0,0,0|2,0,0]=4 804 B14R0.392 C=CCCCCCCCCCCCNC 34a_100102657272_102130925996 [2,0,0,0,0,0|2,0,0]=4 805 B14R0.392 C=CCCCCCCCCCCCNC 7a_106832991635_102130925996 [2,0,0,0,0,0|2,0,0]=4 806 B14R0.392 C=CCCCCCCCCCCCOC 34a_100138415774_102130925996 [2,0,0,0,0,0|2,0,0]=4 807 B14R0.392 C=CCCCCCCCCCCNCC 2230a_100015525214_100011093070 [2,0,0,0,0,0|2,0,0]=4 808 B14R0.392 C=CCCCCCCCCCCOCC 34a_100121572206_100011093070 [2,0,0,0,0,0|2,0,0]=4 809 B14R0.392 C=CCCCCCCCCCNCCC 2230a_100000081888_100000210303 [2,0,0,0,0,0|2,0,0]=4 810 B14R0.392 C=CCCCCCCCCCNCCC 34a_100000081888_100000210303 [2,0,0,0,0,0|2,0,0]=4 811 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000038209_100000210303 [2,0,0,0,0,0|2,0,0]=4 812 B14R0.392 C=CCCCCCCCCCOCCC 34a_100000210258_100009814027 [2,0,0,0,0,0|2,0,0]=4 813 B14R0.392 C=CCCCCCCCCCOCCC 7a_100000038209_100000210303 [2,0,0,0,0,0|2,0,0]=4 814 B14R0.392 C=CCCCCCCCCNCCCC 2230a_100000102301_100011933949 [2,0,0,0,0,0|2,0,0]=4 815 B14R0.392 C=CCCCCCCCCNCCCC 7a_106832991798_100011933949 [2,0,0,0,0,0|2,0,0]=4 816 B14R0.392 C=CCCCCCCCCOCCCC 34a_100000210227_100011933949 [2,0,0,0,0,0|2,0,0]=4 817 B14R0.392 C=CCCCCCCCCOCCCC 34a_100011215194_100000210210 [2,0,0,0,0,0|2,0,0]=4 818 B14R0.392 C=CCCCCCCCCOCCCC 7a_100000210227_100011933949 [2,0,0,0,0,0|2,0,0]=4 819 B14R0.392 C=CCCCCCCCCOCCCC 7a_100011215194_100000210211 [2,0,0,0,0,0|2,0,0]=4 820 B14R0.392 C=CCCCCCCCNCCCCC 2230a_100000209983_100012355270 [2,0,0,0,0,0|2,0,0]=4 821 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000210253_100012355270 [2,0,0,0,0,0|2,0,0]=4 822 B14R0.392 C=CCCCCCCCOCCCCC 34a_100000730831_100000718602 [2,0,0,0,0,0|2,0,0]=4 823 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000210253_100012355270 [2,0,0,0,0,0|2,0,0]=4 824 B14R0.392 C=CCCCCCCCOCCCCC 7a_100000730831_100000210326 [2,0,0,0,0,0|2,0,0]=4 825 B14R0.392 C=CCCCCCCNCCCCCC 2230a_100000210581_100011215473 [2,0,0,0,0,0|2,0,0]=4 826 B14R0.392 C=CCCCCCCOCCCCCC 34a_100000210259_100011215473 [2,0,0,0,0,0|2,0,0]=4 827 B14R0.392 C=CCCCCCCOCCCCCC 34a_200011216477_100000210314 [2,0,0,0,0,0|2,0,0]=4 828 B14R0.392 C=CCCCCCCOCCCCCC 7a_100000210259_100011215473 [2,0,0,0,0,0|2,0,0]=4 829 B14R0.392 C=CCCCCCCOCCCCCC 7a_200011216477_100000210314 [2,0,0,0,0,0|2,0,0]=4 830 B14R0.392 C=CCCCCCNCCCCCCC 2230a_100000229938_100000700193 [2,0,0,0,0,0|2,0,0]=4 831 B14R0.392 C=CCCCCCOCCCCCCC 34a_100000210272_100000700193 [2,0,0,0,0,0|2,0,0]=4 832 B14R0.392 C=CCCCCCOCCCCCCC 34a_100011216702_100000210614 [2,0,0,0,0,0|2,0,0]=4 833 B14R0.392 C=CCCCCCOCCCCCCC 7a_100000210272_100000700193 [2,0,0,0,0,0|2,0,0]=4 834 B14R0.392 C=CCCCCCOCCCCCCC 7a_100011216702_100000210614 [2,0,0,0,0,0|2,0,0]=4 835 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000229939_100011215482 [2,0,0,0,0,0|2,0,0]=4 836 B14R0.392 C=CCCCCNCCCCCCCC 2230a_100000703577_100000210759 [2,0,0,0,0,0|2,0,0]=4 837 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000229939_100011215482 [2,0,0,0,0,0|2,0,0]=4 838 B14R0.392 C=CCCCCNCCCCCCCC 34a_100000703577_100000210759 [2,0,0,0,0,0|2,0,0]=4 839 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000210232_100011215482 [2,0,0,0,0,0|2,0,0]=4 840 B14R0.392 C=CCCCCOCCCCCCCC 34a_100000766645_100000210759 [2,0,0,0,0,0|2,0,0]=4 841 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000210232_100011215482 [2,0,0,0,0,0|2,0,0]=4 842 B14R0.392 C=CCCCCOCCCCCCCC 7a_100000766645_100000210759 [2,0,0,0,0,0|2,0,0]=4 843 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000212291_100011713584 [2,0,0,0,0,0|2,0,0]=4 844 B14R0.392 C=CCCCNCCCCCCCCC 2230a_100000700776_100011214924 [2,0,0,0,0,0|2,0,0]=4 845 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000212291_100000757094 [2,0,0,0,0,0|2,0,0]=4 846 B14R0.392 C=CCCCNCCCCCCCCC 34a_100000700776_100011214924 [2,0,0,0,0,0|2,0,0]=4 847 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000210712_100000757094 [2,0,0,0,0,0|2,0,0]=4 848 B14R0.392 C=CCCCOCCCCCCCCC 34a_100000758997_100011214924 [2,0,0,0,0,0|2,0,0]=4 849 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000210712_100000757094 [2,0,0,0,0,0|2,0,0]=4 850 B14R0.392 C=CCCCOCCCCCCCCC 7a_100000758997_100000210328 [2,0,0,0,0,0|2,0,0]=4 851 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100000684558_100000754431 [2,0,0,0,0,0|2,0,0]=4 852 B14R0.392 C=CCCNCCCCCCCCCC 2230a_100015191253_100000210320 [2,0,0,0,0,0|2,0,0]=4 853 B14R0.392 C=CCCNCCCCCCCCCC 34a_100000684558_100000754431 [2,0,0,0,0,0|2,0,0]=4 854 B14R0.392 C=CCCOCCCCCCCCCC 34a_100000210711_100000754431 [2,0,0,0,0,0|2,0,0]=4 855 B14R0.392 C=CCCOCCCCCCCCCC 34a_100011205117_100000210320 [2,0,0,0,0,0|2,0,0]=4 856 B14R0.392 C=CCCOCCCCCCCCCC 7a_100000210711_100000754431 [2,0,0,0,0,0|2,0,0]=4 857 B14R0.392 C=CCNCCCCCCCCCCC 2230a_100020586998_100011215454 [2,0,0,0,0,0|2,0,0]=4 858 B14R0.392 C=CCNCCCCCCCCCCC 2230a_200011215754_100000210623 [2,0,0,0,0,0|2,0,0]=4 859 B14R0.392 C=CCNCCCCCCCCCCC 34a_200011215754_100015514636 [2,0,0,0,0,0|2,0,0]=4 860 B14R0.392 C=CCOCCCCCCCCCCC 34a_100000210809_100015514636 [2,0,0,0,0,0|2,0,0]=4 861 B14R0.392 C=CCOCCCCCCCCCCC 34a_200000210373_100011215454 [2,0,0,0,0,0|2,0,0]=4 862 B14R0.392 C=CCOCCCCCCCCCCC 7a_100000210809_100015514636 [2,0,0,0,0,0|2,0,0]=4 863 B14R0.392 CCCCCCCCCCCCCNC 2230a_100011215765_200000210301 [2,0,0,0,0,0|2,0,0]=4 864 B14R0.392 CCCCCCCCCCCCCNC 2230a_106832991635_100000210684 [2,0,0,0,0,0|2,0,0]=4 865 B14R0.392 CCCCCCCCCCCCCNC 270004a_106832991635_200011215488 [2,0,0,0,0,0|2,0,0]=4 866 B14R0.392 CCCCCCCCCCCCCNC 34a_100011215765_200000210301 [2,0,0,0,0,0|2,0,0]=4 867 B14R0.392 CCCCCCCCCCCCCNC 34a_100102657272_100000210684 [2,0,0,0,0,0|2,0,0]=4 868 B14R0.392 CCCCCCCCCCCCCNC 7a_106832991635_100000210684 [2,0,0,0,0,0|2,0,0]=4 869 B14R0.392 CCCCCCCCCCCCCN[13CH3] 2230a_100011215765_200025704644 [2,0,0,0,0,0|2,0,0]=4 870 B14R0.392 CCCCCCCCCCCCCN[13CH3] 34a_100011215765_200025704644 [2,0,0,0,0,0|2,0,0]=4 871 B14R0.392 CCCCCCCCCCCCCOC 34a_100000185773_200000210301 [2,0,0,0,0,0|2,0,0]=4 872 B14R0.392 CCCCCCCCCCCCCOC 34a_100138415774_100000210684 [2,0,0,0,0,0|2,0,0]=4 873 B14R0.392 CCCCCCCCCCCCCOC 7a_100000185773_200000210301 [2,0,0,0,0,0|2,0,0]=4 874 B14R0.392 CCCCCCCCCCCCCO[13CH3] 34a_100000185773_200025704644 [2,0,0,0,0,0|2,0,0]=4 875 B14R0.392 CCCCCCCCCCCCCO[13CH3] 7a_100000185773_200025704644 [2,0,0,0,0,0|2,0,0]=4 876 B14R0.392 CCCCCCCCCCCNCC=O 2230a_200011215754_200015260668 [2,0,0,0,0,0|1,0,0]=3 877 B14R0.392 CCCCCCCCCCCNCC=O 34a_200011215754_200009817547 [2,0,0,0,0,0|1,0,0]=3 878 B14R0.392 CCCCCCCCCCCNCCO 2230a_100016997473_100011215454 [2,0,0,0,0,0|1,0,1]=4 879 B14R0.392 CCCCCCCCCCCNCCO 2230a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 880 B14R0.392 CCCCCCCCCCCNCCO 34a_100016990907_100011215454 [2,0,0,0,0,0|1,0,1]=4 881 B14R0.392 CCCCCCCCCCCNCCO 34a_200011215754_100000211926 [2,0,0,0,0,0|1,0,1]=4 882 B14R0.392 CCCCCCCCCCCOCC=O 34a_100000210809_200009817547 [2,0,0,0,0,0|1,0,0]=3 883 B14R0.392 CCCCCCCCCCCOCC=O 7a_100000210809_200015260668 [2,0,0,0,0,0|1,0,0]=3 884 B14R0.392 CCCCCCCCCCCOCCO 34a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 885 B14R0.392 CCCCCCCCCCCOCCO 7a_100000210809_100000211926 [2,0,0,0,0,0|1,0,1]=4 886 B14R0.392 CCCCCCCCCCCSCC=O 62a_200015260668_100011215454 [2,0,0,0,0,0|1,0,0]=3 887 B14R0.392 CCCCCCCCCCCSCCO 62a_100000211926_100011215454 [2,0,0,0,0,0|1,0,1]=4 888 B14R0.392 CCCCCCCCCCNCCCO 2230a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 889 B14R0.392 CCCCCCCCCCNCCCO 34a_100000684558_100000230001 [2,0,0,0,0,0|1,0,1]=4 890 B14R0.392 CCCCCCCCCCOCCCO 34a_100000210711_100000230001 [2,0,0,0,0,0|1,0,1]=4 891 B14R0.392 CCCCCCCCCCOCCCO 7a_100000210711_100011215043 [2,0,0,0,0,0|1,0,1]=4 892 B14R0.392 CCCCCCCCCCSCCCO 62a_100011215043_100000210320 [2,0,0,0,0,0|1,0,1]=4 893 B14R0.392 CCCCCCCCCNCCCC=O 2230a_100000212291_200011292268 [2,0,0,0,0,0|1,0,0]=3 894 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000212291_100000210776 [2,0,0,0,0,0|1,0,1]=4 895 B14R0.392 CCCCCCCCCNCCCCO 2230a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 896 B14R0.392 CCCCCCCCCNCCCCO 34a_100000212291_100011216708 [2,0,0,0,0,0|1,0,1]=4 897 B14R0.392 CCCCCCCCCNCCCCO 34a_100000750430_100011214924 [2,0,0,0,0,0|1,0,1]=4 898 B14R0.392 CCCCCCCCCOCCCC=O 7a_100000210712_200011292268 [2,0,0,0,0,0|1,0,0]=3 899 B14R0.392 CCCCCCCCCOCCCCO 34a_100000210712_100011216708 [2,0,0,0,0,0|1,0,1]=4 900 B14R0.392 CCCCCCCCCOCCCCO 7a_100000210712_100000210776 [2,0,0,0,0,0|1,0,1]=4 901 B14R0.392 CCCCCCCCCSCCCC=O 62a_200011292268_100000210670 [2,0,0,0,0,0|1,0,0]=3 902 B14R0.392 CCCCCCCCCSCCCCO 62a_100000210776_100000210670 [2,0,0,0,0,0|1,0,1]=4 903 B14R0.392 CCCCCCCCNCCCCC=O 2230a_100000229939_100000139335 [2,0,0,0,0,0|1,0,0]=3 904 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 905 B14R0.392 CCCCCCCCNCCCCCO 2230a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 906 B14R0.392 CCCCCCCCNCCCCCO 34a_100000229939_100000746330 [2,0,0,0,0,0|1,0,1]=4 907 B14R0.392 CCCCCCCCNCCCCCO 34a_100000762737_100000210759 [2,0,0,0,0,0|1,0,1]=4 908 B14R0.392 CCCCCCCCOCCCCC=O 7a_100000210232_100000139335 [2,0,0,0,0,0|1,0,0]=3 909 B14R0.392 CCCCCCCCOCCCCCO 34a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 910 B14R0.392 CCCCCCCCOCCCCCO 7a_100000210232_100000746330 [2,0,0,0,0,0|1,0,1]=4 911 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000139335_100000210317 [2,0,0,0,0,0|1,0,0]=3 912 B14R0.392 CCCCCCCCSCCCCC=O 62a_100000210759_100000139335 [2,0,0,0,0,0|1,0,0]=3 913 B14R0.392 CCCCCCCCSCCCCCO 62a_100000210759_100000746330 [2,0,0,0,0,0|1,0,1]=4 914 B14R0.392 CCCCCCCCSCCCCCO 62a_100000746330_100000210317 [2,0,0,0,0,0|1,0,1]=4 915 B14R0.392 CCCCCCCNCCCCCC=O 2230a_100000229938_100000139337 [2,0,0,0,0,0|1,0,0]=3 916 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000229938_100000766143 [2,0,0,0,0,0|1,0,1]=4 917 B14R0.392 CCCCCCCNCCCCCCO 2230a_100000686447_100000210681 [2,0,0,0,0,0|1,0,1]=4 918 B14R0.392 CCCCCCCNCCCCCCO 34a_100000686447_100000210614 [2,0,0,0,0,0|1,0,1]=4 919 B14R0.392 CCCCCCCOCCCCCC=O 7a_100000210272_100000139337 [2,0,0,0,0,0|1,0,0]=3 920 B14R0.392 CCCCCCCOCCCCCCO 34a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 921 B14R0.392 CCCCCCCOCCCCCCO 7a_100000210272_100000766143 [2,0,0,0,0,0|1,0,1]=4 922 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000139337_100000210316 [2,0,0,0,0,0|1,0,0]=3 923 B14R0.392 CCCCCCCSCCCCCC=O 62a_100000210614_100000139337 [2,0,0,0,0,0|1,0,0]=3 924 B14R0.392 CCCCCCCSCCCCCCO 62a_100000210614_100000766143 [2,0,0,0,0,0|1,0,1]=4 925 B14R0.392 CCCCCCCSCCCCCCO 62a_100000766143_100000210316 [2,0,0,0,0,0|1,0,1]=4 926 B14R0.392 CCCCCCNCCCCCCCO 2230a_100000210581_100000760002 [2,0,0,0,0,0|1,0,1]=4 927 B14R0.392 CCCCCCNCCCCCCCO 2230a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 928 B14R0.392 CCCCCCNCCCCCCCO 34a_100011996573_100000210314 [2,0,0,0,0,0|1,0,1]=4 929 B14R0.392 CCCCCCOCCCCCCCO 34a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 930 B14R0.392 CCCCCCOCCCCCCCO 7a_100000210259_100000760002 [2,0,0,0,0,0|1,0,1]=4 931 B14R0.392 CCCCCCOCCOCCCC=O 7a_100000691444_200011292268 [2,0,0,0,0,0|2,0,0]=4 932 B14R0.392 CCCCCCSCCCCCCCO 62a_100000210314_100000760002 [2,0,0,0,0,0|1,0,1]=4 933 B14R0.392 CCCCCCSCCCCCCCO 62a_100000760002_100000210757 [2,0,0,0,0,0|1,0,1]=4 934 B14R0.392 CCCCCNCCCCCCCCO 2230a_100000209983_100000033203 [2,0,0,0,0,0|1,0,1]=4 935 B14R0.392 CCCCCNCCCCCCCCO 2230a_102515433106_100000210326 [2,0,0,0,0,0|1,0,1]=4 936 B14R0.392 CCCCCNCCCCCCCCO 34a_102515433106_100000718602 [2,0,0,0,0,0|1,0,1]=4 937 B14R0.392 CCCCCOCCCCCCCCO 34a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 938 B14R0.392 CCCCCOCCCCCCCCO 7a_100000210253_100000033203 [2,0,0,0,0,0|1,0,1]=4 939 B14R0.392 CCCCCOCCOCCCCC=O 7a_100011215259_100000139335 [2,0,0,0,0,0|2,0,0]=4 940 B14R0.392 CCCCCSCCCCCCCCO 62a_100000033203_100000210326 [2,0,0,0,0,0|1,0,1]=4 941 B14R0.392 CCCCCSCCCCCCCCO 62a_100000210326_100000033203 [2,0,0,0,0,0|1,0,1]=4 942 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000078944_100000210211 [2,0,0,0,0,0|1,0,1]=4 943 B14R0.392 CCCCNCCCCCCCCCO 2230a_100000102301_100009813782 [2,0,0,0,0,0|1,0,1]=4 944 B14R0.392 CCCCNCCCCCCCCCO 34a_100000078944_100000210210 [2,0,0,0,0,0|1,0,1]=4 945 B14R0.392 CCCCNCCCCCCCCCO 7a_106832991798_100009813782 [2,0,0,0,0,0|1,0,1]=4 946 B14R0.392 CCCCOCCCCCCCCCO 34a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 947 B14R0.392 CCCCOCCCCCCCCCO 7a_100000210227_100009813782 [2,0,0,0,0,0|1,0,1]=4 948 B14R0.392 CCCCOCCCCOCCCC=O 7a_200000760531_200011292268 [2,0,0,0,0,0|2,0,0]=4 949 B14R0.392 CCCCOCCCNCCCCC=O 2230a_200000211371_100000139335 [2,0,0,0,0,0|2,0,0]=4 950 B14R0.392 CCCCOCCCOCCCCC=O 7a_200011215613_100000139335 [2,0,0,0,0,0|2,0,0]=4 951 B14R0.392 CCCCOCCOCCCCCC=O 7a_100000210238_100000139337 [2,0,0,0,0,0|2,0,0]=4 952 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000139337_100000743108 [2,0,0,0,0,0|2,0,0]=4 953 B14R0.392 CCCCOCCSCCCCCC=O 62a_100000743108_100000139337 [2,0,0,0,0,0|2,0,0]=4 954 B14R0.392 CCCCSCCCCCCCCCO 62a_100000210211_100009813782 [2,0,0,0,0,0|1,0,1]=4 955 B14R0.392 CCCCSCCCCCCCCCO 62a_100009813782_100000210210 [2,0,0,0,0,0|1,0,1]=4 956 B14R0.392 CCCCSCCNCCCCCC=O 2230a_100025743550_100000139337 [2,0,0,0,0,0|2,0,0]=4 957 B14R0.392 CCCCSCCOCCCCCC=O 7a_200000230436_100000139337 [2,0,0,0,0,0|2,0,0]=4 958 B14R0.392 CCCNCCCCCCCCCCO 2230a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 959 B14R0.392 CCCNCCCCCCCCCCO 34a_100000066964_100000210303 [2,0,0,0,0,0|1,0,1]=4 960 B14R0.392 CCCOCCCCCCCCCCO 34a_100000210258_100009813290 [2,0,0,0,0,0|1,0,1]=4 961 B14R0.392 CCCOCCCNCCCCCC=O 2230a_100011217757_100000139337 [2,0,0,0,0,0|2,0,0]=4 962 B14R0.392 CCCSCCCCCCCCCCO 62a_100000210303_200000033068 [2,0,0,0,0,0|1,0,1]=4 963 B14R0.392 CCCSCCCCCCCCCCO 62a_100009813290_100000210303 [2,0,0,0,0,0|1,0,1]=4 964 B14R0.392 CCNCCCCCCCCCCCO 2230a_100015525214_100009812471 [2,0,0,0,0,0|1,0,1]=4 965 B14R0.392 CCOCCCCCCCCCCCO 34a_100121572206_100009812471 [2,0,0,0,0,0|1,0,1]=4 966 B14R0.392 CCSCCCCCCCCCCCO 62a_100009812471_100000210202 [2,0,0,0,0,0|1,0,1]=4 967 B14R0.392 CNCCCCCCCCCCCCO 2230a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 968 B14R0.392 CNCCCCCCCCCCCCO 2230a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 969 B14R0.392 CNCCCCCCCCCCCCO 34a_100000066677_200000210301 [2,0,0,0,0,0|1,0,1]=4 970 B14R0.392 CNCCCCCCCCCCCCO 34a_100102657272_100009813331 [2,0,0,0,0,0|1,0,1]=4 971 B14R0.392 CNCCCCCCCCCCCCO 7a_106832991635_100009813331 [2,0,0,0,0,0|1,0,1]=4 972 B14R0.392 COCCCCCCCCCCCCO 34a_100138415774_100009813331 [2,0,0,0,0,0|1,0,1]=4 973 B14R0.392 COCCCCCCOCCCCC=O 7a_200012092642_100000139335 [2,0,0,0,0,0|2,0,0]=4 974 B14R0.392 COCCCCCCSCCCCC=O 62a_100000139335_100011998445 [2,0,0,0,0,0|2,0,0]=4 975 B14R0.392 COCCCCCCSCCCCC=O 62a_100011998445_100000139335 [2,0,0,0,0,0|2,0,0]=4 976 B14R0.392 COCCCCCNCCCCCC=O 2230a_100000747528_100000139337 [2,0,0,0,0,0|2,0,0]=4 977 B14R0.392 CSCCCCCCCCCCCCO 62a_100009813331_200000210301 [2,0,0,0,0,0|1,0,1]=4 978 B14R0.392 NCCCCCCCCCCOCC=O 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 979 B14R0.392 O=CCCCCCNCCCCCCO 2230a_100000686447_100000139337 [2,0,0,0,0,0|2,0,0]=4 980 B14R0.392 O=CCCCCCOCCCCCCBr 7a_100011215345_100000139337 [2,0,0,0,0,0|2,0,0]=4 981 B14R0.392 O=CCCCCCOCCCCCCCl 7a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 982 B14R0.392 O=CCCCCCOCCCCCCF 7a_100000732779_100000139337 [2,0,0,0,0,0|2,0,0]=4 983 B14R0.392 O=CCCCCCSCCCCCCF 62a_100000139337_100015922095 [2,0,0,0,0,0|2,0,0]=4 984 B14R0.392 O=CCCCCCSCCCCCCF 62a_100015922095_100000139337 [2,0,0,0,0,0|2,0,0]=4 985 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000139337_100000766143 [2,0,0,0,0,0|2,0,0]=4 986 B14R0.392 O=CCCCCCSCCCCCCO 62a_100000766143_100000139337 [2,0,0,0,0,0|2,0,0]=4 987 B14R0.392 O=CCCCCNCCCCCCCO 2230a_100011996573_100000139335 [2,0,0,0,0,0|2,0,0]=4 988 B14R0.392 O=CCCCCOCCCCCCCBr 7a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 989 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000139335_100000760002 [2,0,0,0,0,0|2,0,0]=4 990 B14R0.392 O=CCCCCSCCCCCCCO 62a_100000760002_100000139335 [2,0,0,0,0,0|2,0,0]=4 991 B14R0.392 O=CCCCNCCCCCCCCO 2230a_102515433106_200011292268 [2,0,0,0,0,0|2,0,0]=4 992 B14R0.392 O=CCCCOCCCCCCCCBr 7a_100009813846_200011292268 [2,0,0,0,0,0|2,0,0]=4 993 B14R0.392 O=CCCCOCCCCCCCCCl 7a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 994 B14R0.392 O=CCCCSCCCCCCCCO 62a_100000033203_200011292268 [2,0,0,0,0,0|2,0,0]=4 995 B14R0.392 O=CCCCSCCCCCCCCO 62a_200011292268_100000033203 [2,0,0,0,0,0|2,0,0]=4 996 B14R0.392 O=CCNCCCCCCCCCCO 2230a_100000066964_200015260668 [2,0,0,0,0,0|2,0,0]=4 997 B14R0.392 O=CCNCCCCCCCCCCO 34a_100000066964_200009817547 [2,0,0,0,0,0|2,0,0]=4 998 B14R0.392 O=CCOCCCCCCCCCCBr 34a_100009813290_200009817547 [2,0,0,0,0,0|2,0,0]=4 999 B14R0.392 O=CCOCCCCCCCCCCBr 7a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 1000 B14R0.392 O=CCOCCCCCCCCCCCl 34a_200000033068_200009817547 [2,0,0,0,0,0|2,0,0]=4 1001 B14R0.392 O=CCOCCCCCCCCCCCl 7a_200000033068_200015260668 [2,0,0,0,0,0|2,0,0]=4 1002 B14R0.392 O=CCSCCCCCCCCCCO 62a_100009813290_200015260668 [2,0,0,0,0,0|2,0,0]=4 1003 B14R0.392 O=CCSCCCCCCCCCCO 62a_200015260668_200000033068 [2,0,0,0,0,0|2,0,0]=4 1004 B14R0.392 [13CH3]NCCCCCCCCCCCCO 2230a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1005 B14R0.392 [13CH3]NCCCCCCCCCCCCO 34a_100000066677_200025704644 [2,0,0,0,0,0|1,0,1]=4 1006 B14R0.392 [13CH3]SCCCCCCCCCCCCO 62a_100009813331_200025704644 [2,0,0,0,0,0|1,0,1]=4 1007 B14R0.394 CC(=O)CCCCCCCCCCCO 1458a_100000070787_100009812471 [2,0,0,0,0,0|2,0,0]=4 1008 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100000070787_100000759014 [2,0,0,0,0,0|1,0,0]=3 1009 B14R0.394 CCCCCCCCCCCCC(=O)C 1458a_100011215791_200000210301 [2,0,0,0,0,0|1,0,0]=3 1010 B14R0.394 CCCCCCCCCCCCC(=O)[13CH3] 1458a_100011215791_200025704644 [2,0,0,0,0,0|1,0,0]=3 1011 B14R0.394 CCCCCCCCCCCNC(=O)C 11a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 1012 B14R0.394 CCCCCCCCCCCNC(=O)C 1626a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 1013 B14R0.394 CCCCCCCCCCCNC(=O)C 240690a_200011215754_100015343762 [2,0,0,0,0,0|2,0,0]=4 1014 B14R0.394 CCCCCCCCCCCNC(=O)C 527a_200011215754_100103153847 [2,0,0,0,0,0|2,0,0]=4 1015 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000684558_100000747473 [2,0,0,0,0,0|2,0,0]=4 1016 B14R0.394 CCCCCCCCCCNCC(=O)N 2230a_100000711301_100000210320 [2,0,0,0,0,0|2,0,0]=4 1017 B14R0.394 CCCCCCCCCCNCC(=O)N 34a_100000684558_100000187820 [2,0,0,0,0,0|2,0,0]=4 1018 B14R0.394 CCCCCCCCCCNCC(=O)O 269956a_100016091260_100000210320 [2,0,0,0,0,0|1,0,0]=3 1019 B14R0.394 CCCCCCCCCCNCC(=O)[O-] 34a_100000684558_100020667443 [2,0,0,0,0,0|1,0,1]=4 1020 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000210904_100000210320 [2,0,0,0,0,0|1,0,1]=4 1021 B14R0.394 CCCCCCCCCCNCC(C)O 2230a_100000684558_100011218427 [2,0,0,0,0,0|1,0,1]=4 1022 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000210904_100000210320 [2,0,0,0,0,0|1,0,1]=4 1023 B14R0.394 CCCCCCCCCCNCC(C)O 34a_100000684558_100011218427 [2,0,0,0,0,0|1,0,1]=4 1024 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 2230a_100000684558_100009817552 [2,0,0,0,0,0|1,0,1]=4 1025 B14R0.394 CCCCCCCCCCNC[C@@H](C)O 34a_100000684558_100009817552 [2,0,0,0,0,0|1,0,1]=4 1026 B14R0.394 CCCCCCCCCCOCC(=O)C 34a_100000211253_100000210320 [2,0,0,0,0,0|2,0,0]=4 1027 B14R0.394 CCCCCCCCCCOCC(=O)N 34a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 1028 B14R0.394 CCCCCCCCCCOCC(=O)N 7a_100000210711_100000187820 [2,0,0,0,0,0|2,0,0]=4 1029 B14R0.394 CCCCCCCCCCOCC(=O)[O-] 34a_100000210711_100020667443 [2,0,0,0,0,0|1,0,1]=4 1030 B14R0.394 CCCCCCCCCCOCC(C)O 34a_100000210711_100011218427 [2,0,0,0,0,0|1,0,1]=4 1031 B14R0.394 CCCCCCCCCCOCC(C)O 7a_100000210711_100011218427 [2,0,0,0,0,0|1,0,1]=4 1032 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 34a_100000210711_100009817552 [2,0,0,0,0,0|1,0,1]=4 1033 B14R0.394 CCCCCCCCCCOC[C@@H](C)O 7a_100000210711_100009817552 [2,0,0,0,0,0|1,0,1]=4 1034 B14R0.394 CCCCCCCCCCSCC(=O)N 62a_100000747473_100000210320 [2,0,0,0,0,0|2,0,0]=4 1035 B14R0.394 CCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000210320 [2,0,0,0,0,0|1,0,1]=4 1036 B14R0.394 CCCCCCCCCCSCC(C)O 62a_100011218427_100000210320 [2,0,0,0,0,0|1,0,1]=4 1037 B14R0.394 CCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000210320 [2,0,0,0,0,0|1,0,1]=4 1038 B14R0.394 CCCCCCCCCNCCC(=O)N 2230a_100000212291_100000744528 [2,0,0,0,0,0|2,0,0]=4 1039 B14R0.394 CCCCCCCCCNCCC(=O)N 34a_100000212291_100000731001 [2,0,0,0,0,0|2,0,0]=4 1040 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_100000212291_100012276601 [2,0,0,0,0,0|1,0,1]=4 1041 B14R0.394 CCCCCCCCCNCCC(C)O 2230a_200000755665_100011214924 [2,0,0,0,0,0|1,0,1]=4 1042 B14R0.394 CCCCCCCCCNCCC(C)O 34a_100000212291_100012276601 [2,0,0,0,0,0|1,0,1]=4 1043 B14R0.394 CCCCCCCCCNOCC(=O)O 269956a_100000106656_100000210670 [2,0,0,0,0,0|2,0,0]=4 1044 B14R0.394 CCCCCCCCCOCCC(=O)C 34a_100000759926_100011214924 [2,0,0,0,0,0|2,0,0]=4 1045 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000210712_100000053229 [2,0,0,0,0,0|2,0,0]=4 1046 B14R0.394 CCCCCCCCCOCCC(=O)C 7a_100000759926_100000210328 [2,0,0,0,0,0|2,0,0]=4 1047 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000210712_100000731001 [2,0,0,0,0,0|2,0,0]=4 1048 B14R0.394 CCCCCCCCCOCCC(=O)N 34a_100000757172_100011214924 [2,0,0,0,0,0|2,0,0]=4 1049 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000210712_100000744528 [2,0,0,0,0,0|2,0,0]=4 1050 B14R0.394 CCCCCCCCCOCCC(=O)N 7a_100000757172_100000210328 [2,0,0,0,0,0|2,0,0]=4 1051 B14R0.394 CCCCCCCCCOCCC(C)O 34a_100000210712_100012276601 [2,0,0,0,0,0|1,0,1]=4 1052 B14R0.394 CCCCCCCCCOCCC(C)O 7a_100000210712_100012276601 [2,0,0,0,0,0|1,0,1]=4 1053 B14R0.394 CCCCCCCCCSCCC(=O)C 62a_100000053229_100000210670 [2,0,0,0,0,0|2,0,0]=4 1054 B14R0.394 CCCCCCCCCSCCC(=O)N 62a_100000744528_100000210670 [2,0,0,0,0,0|2,0,0]=4 1055 B14R0.394 CCCCCCCCCSCCC(C)O 62a_100012276601_100000210670 [2,0,0,0,0,0|1,0,1]=4 1056 B14R0.394 CCCCCCCCNCCCC(=O)C 34a_100000229939_100000685027 [2,0,0,0,0,0|2,0,0]=4 1057 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000229939_100102525003 [2,0,0,0,0,0|2,0,0]=4 1058 B14R0.394 CCCCCCCCNCCCC(=O)N 34a_100000739312_100000210759 [2,0,0,0,0,0|2,0,0]=4 1059 B14R0.394 CCCCCCCCNCCCC(C)O 2230a_100000229939_200000718107 [2,0,0,0,0,0|1,0,1]=4 1060 B14R0.394 CCCCCCCCNCCCC(C)O 34a_100000229939_200000718107 [2,0,0,0,0,0|1,0,1]=4 1061 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000210232_100000685027 [2,0,0,0,0,0|2,0,0]=4 1062 B14R0.394 CCCCCCCCOCCCC(=O)C 34a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 1063 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000210232_100011215641 [2,0,0,0,0,0|2,0,0]=4 1064 B14R0.394 CCCCCCCCOCCCC(=O)C 7a_100000759063_100000210759 [2,0,0,0,0,0|2,0,0]=4 1065 B14R0.394 CCCCCCCCOCCCC(=O)N 34a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 1066 B14R0.394 CCCCCCCCOCCCC(=O)N 7a_100000210232_100102525003 [2,0,0,0,0,0|2,0,0]=4 1067 B14R0.394 CCCCCCCCOCCCC(C)O 34a_100000210232_200000718107 [2,0,0,0,0,0|1,0,1]=4 1068 B14R0.394 CCCCCCCCOCCCC(C)O 7a_100000210232_200000718107 [2,0,0,0,0,0|1,0,1]=4 1069 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100000210759_100011215641 [2,0,0,0,0,0|2,0,0]=4 1070 B14R0.394 CCCCCCCCSCCCC(=O)C 62a_100011215641_100000210317 [2,0,0,0,0,0|2,0,0]=4 1071 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100000210759_100102525003 [2,0,0,0,0,0|2,0,0]=4 1072 B14R0.394 CCCCCCCCSCCCC(=O)N 62a_100102525003_100000210317 [2,0,0,0,0,0|2,0,0]=4 1073 B14R0.394 CCCCCCCCSCCCC(C)O 62a_100000210759_200000718107 [2,0,0,0,0,0|1,0,1]=4 1074 B14R0.394 CCCCCCCCSCCCC(C)O 62a_200000718107_100000210317 [2,0,0,0,0,0|1,0,1]=4 1075 B14R0.394 CCCCCCCNCCCCB(O)O 2230a_100000229938_200009817182 [2,0,0,0,0,0|2,0,0]=4 1076 B14R0.394 CCCCCCCNCCCCC(=O)N 34a_100000696515_100000210614 [2,0,0,0,0,0|2,0,0]=4 1077 B14R0.394 CCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210614 [2,0,0,0,0,0|2,0,0]=4 1078 B14R0.394 CCCCCCCOCCCCB(O)O 34a_100000210272_200009817182 [2,0,0,0,0,0|2,0,0]=4 1079 B14R0.394 CCCCCCCOCCCCB(O)O 7a_100000210272_200009817182 [2,0,0,0,0,0|2,0,0]=4 1080 B14R0.394 CCCCCCCOCCCCC(=O)C 34a_100000210272_100009817362 [2,0,0,0,0,0|2,0,0]=4 1081 B14R0.394 CCCCCCCOCCCCC(=O)C 7a_100000210272_100000735457 [2,0,0,0,0,0|2,0,0]=4 1082 B14R0.394 CCCCCCCOCCCCC(=O)N 34a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 1083 B14R0.394 CCCCCCCOCCCCC(=O)N 7a_100012022536_100000210614 [2,0,0,0,0,0|2,0,0]=4 1084 B14R0.394 CCCCCCCSCCCCB(O)O 62a_100000210614_200009817182 [2,0,0,0,0,0|2,0,0]=4 1085 B14R0.394 CCCCCCCSCCCCB(O)O 62a_200009817182_100000210316 [2,0,0,0,0,0|2,0,0]=4 1086 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000210614_100000735457 [2,0,0,0,0,0|2,0,0]=4 1087 B14R0.394 CCCCCCCSCCCCC(=O)C 62a_100000735457_100000210316 [2,0,0,0,0,0|2,0,0]=4 1088 B14R0.394 CCCCCCNCCCCCB(O)O 2230a_100000210581_200009817188 [2,0,0,0,0,0|2,0,0]=4 1089 B14R0.394 CCCCCCNCCCCCC(=O)N 2230a_100000210581_100009817443 [2,0,0,0,0,0|2,0,0]=4 1090 B14R0.394 CCCCCCOCCCCCB(O)O 34a_100000210259_200009817188 [2,0,0,0,0,0|2,0,0]=4 1091 B14R0.394 CCCCCCOCCCCCB(O)O 7a_100000210259_200009817188 [2,0,0,0,0,0|2,0,0]=4 1092 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 1093 B14R0.394 CCCCCCOCCCCCC(=O)N 34a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 1094 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000123541_100000210314 [2,0,0,0,0,0|2,0,0]=4 1095 B14R0.394 CCCCCCOCCCCCC(=O)N 7a_100000210259_100009817443 [2,0,0,0,0,0|2,0,0]=4 1096 B14R0.394 CCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210314 [2,0,0,0,0,0|1,0,1]=4 1097 B14R0.394 CCCCCCSCCCCCB(O)O 62a_100000210314_200009817188 [2,0,0,0,0,0|2,0,0]=4 1098 B14R0.394 CCCCCCSCCCCCB(O)O 62a_200009817188_100000210757 [2,0,0,0,0,0|2,0,0]=4 1099 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100000210314_100009817443 [2,0,0,0,0,0|2,0,0]=4 1100 B14R0.394 CCCCCCSCCCCCC(=O)N 62a_100009817443_100000210757 [2,0,0,0,0,0|2,0,0]=4 1101 B14R0.394 CCCCCNCCCCCCB(O)O 2230a_100000209983_100009817187 [2,0,0,0,0,0|2,0,0]=4 1102 B14R0.394 CCCCCOCCCCCCB(O)O 34a_100000210253_100009817187 [2,0,0,0,0,0|2,0,0]=4 1103 B14R0.394 CCCCCOCCCCCCB(O)O 7a_100000210253_100009817187 [2,0,0,0,0,0|2,0,0]=4 1104 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100000210326_100009817187 [2,0,0,0,0,0|2,0,0]=4 1105 B14R0.394 CCCCCSCCCCCCB(O)O 62a_100009817187_100000210326 [2,0,0,0,0,0|2,0,0]=4 1106 B14R0.394 CNCCCCCCCCCCC(=O)N 2230a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 1107 B14R0.394 CNCCCCCCCCCCC(=O)N 34a_100102657272_200010167045 [2,0,0,0,0,0|2,0,0]=4 1108 B14R0.394 CNCCCCCCCCCCC(=O)N 7a_106832991635_200010167045 [2,0,0,0,0,0|2,0,0]=4 1109 B14R0.394 COCCCCCCCCCCC(=O)N 34a_100138415774_200010167045 [2,0,0,0,0,0|2,0,0]=4 1110 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200000210301_200010167045 [2,0,0,0,0,0|2,0,0]=4 1111 B14R0.394 CSCCCCCCCCCCC(=O)N 62a_200010167045_200000210301 [2,0,0,0,0,0|2,0,0]=4 1112 B14R0.394 O=C(O)CNCCCCCCCCCO 269956a_100016091260_100009813782 [2,0,0,0,0,0|2,0,0]=4 1113 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200010167045_200025704644 [2,0,0,0,0,0|2,0,0]=4 1114 B14R0.394 [13CH3]SCCCCCCCCCCC(=O)N 62a_200025704644_200010167045 [2,0,0,0,0,0|2,0,0]=4 1115 B14R0.340 CCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210670 [2,0,0,0,0,0|2,0,0]=4 1116 B14R0.340 CCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000210759 [2,0,0,0,0,0|2,0,0]=4 1117 B14R0.340 CCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000210759 [2,0,0,0,0,0|2,0,0]=4 1118 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [1,1,0,0,0,0|2,0,0]=4 1119 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [1,1,0,0,0,0|2,0,0]=4 1120 B16R0.61 CCCCCCCCCCNCC(O)COC 2230a_100000756049_100000210320 [1,1,0,0,0,0|1,0,1]=4 1121 B16R0.61 CCCCCCCCCCNCC(O)COC 34a_100000684558_100011215053 [1,1,0,0,0,0|1,0,1]=4 1122 B16R0.61 CCCCCCCCCCNCC(O)COC 34a_100000756049_100000210320 [1,1,0,0,0,0|1,0,1]=4 1123 B16R0.61 CCCCCCCCCCOCC(O)COC 34a_100000210711_100011215053 [1,1,0,0,0,0|1,0,1]=4 1124 B16R0.61 CCCCCCCCCCOCC(O)COC 7a_100000210711_100011215053 [1,1,0,0,0,0|1,0,1]=4 1125 B16R0.61 CCCCCCCCCCSCC(O)COC 62a_100011215053_100000210320 [1,1,0,0,0,0|1,0,1]=4 1126 B16R0.70 CCCCCCCCCCCC(=O)C(O)CO 1458a_100011215603_100011215454 [1,1,0,0,0,0|0,0,2]=4 1127 B16R0.221 C#CC(O)CCCCCNCCCCCCC 2230a_100000229938_200010408556 [1,1,0,0,0,0|1,0,1]=4 1128 B16R0.221 C#CC(O)CCCCCOCCCCCCC 34a_100000210272_200010408556 [1,1,0,0,0,0|1,0,1]=4 1129 B16R0.221 C#CC(O)CCCCCOCCCCCCC 7a_100000210272_200010408556 [1,1,0,0,0,0|1,0,1]=4 1130 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_100000210614_200010408556 [1,1,0,0,0,0|1,0,1]=4 1131 B16R0.221 C#CC(O)CCCCCSCCCCCCC 62a_200010408556_100000210316 [1,1,0,0,0,0|1,0,1]=4 1132 B16R0.221 C=CC(O)CNCCCCCCCCCCC 2230a_200011215754_100000730141 [1,1,0,0,0,0|1,0,0]=3 1133 B16R0.221 C=CC(O)CNCCCCCCCCCCC 34a_200011215754_100000730141 [1,1,0,0,0,0|1,0,0]=3 1134 B16R0.221 C=CC(O)CNCCCCCCCCCCO 2230a_100000066964_100000730141 [1,1,0,0,0,0|2,0,0]=4 1135 B16R0.221 C=CC(O)CNCCCCCCCCCCO 34a_100000066964_100000730141 [1,1,0,0,0,0|2,0,0]=4 1136 B16R0.221 C=CC(O)COCCCCCCCCCCBr 34a_100009813290_100000730141 [1,1,0,0,0,0|2,0,0]=4 1137 B16R0.221 C=CC(O)COCCCCCCCCCCBr 7a_100009813290_100000730141 [1,1,0,0,0,0|2,0,0]=4 1138 B16R0.221 C=CC(O)COCCCCCCCCCCC 34a_100000210809_100000730141 [1,1,0,0,0,0|1,0,0]=3 1139 B16R0.221 C=CC(O)COCCCCCCCCCCC 7a_100000210809_100000730141 [1,1,0,0,0,0|1,0,0]=3 1140 B16R0.221 C=CC(O)COCCCCCCCCCCCl 34a_200000033068_100000730141 [1,1,0,0,0,0|2,0,0]=4 1141 B16R0.221 C=CC(O)COCCCCCCCCCCCl 7a_200000033068_100000730141 [1,1,0,0,0,0|2,0,0]=4 1142 B16R0.221 C=CC(O)COCCCCCCCCCCN 34a_100000066964_100000730141 [1,1,0,0,0,0|2,0,0]=4 1143 B16R0.221 C=CC(O)CSCCCCCCCCCCC 62a_100000730141_100011215454 [1,1,0,0,0,0|1,0,0]=3 1144 B16R0.221 C=CC(O)CSCCCCCCCCCCO 62a_100000730141_200000033068 [1,1,0,0,0,0|2,0,0]=4 1145 B16R0.221 C=CC(O)CSCCCCCCCCCCO 62a_100009813290_100000730141 [1,1,0,0,0,0|2,0,0]=4 1146 B16R0.221 C=C[C@H](N)COCCCCCCCCCCC 34a_100016989147_100011215454 [1,1,0,0,0,0|2,0,0]=4 1147 B16R0.221 CCCCCCCCCCCCNC(C)CO 2230a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 1148 B16R0.221 CCCCCCCCCCCCNC(C)CO 34a_100000210451_100012180447 [1,1,0,0,0,0|1,0,1]=4 1149 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 2230a_100000737577_100011215052 [1,1,0,0,0,0|1,0,1]=4 1150 B16R0.221 CCCCCCCCCCCCN[C@H](C)CO 270004a_100000737577_100011218549 [1,1,0,0,0,0|1,0,1]=4 1151 B16R0.221 CCCCCCCCCCCCOC(C)CO 34a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 1152 B16R0.221 CCCCCCCCCCCCOC(C)CO 7a_100000210810_100012180447 [1,1,0,0,0,0|1,0,1]=4 1153 B16R0.221 CCCCCCCCCCCNCC(C)CO 34a_100000744482_100011215454 [1,1,0,0,0,0|1,0,1]=4 1154 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_100011218483_100011215454 [1,1,0,0,0,0|1,0,1]=4 1155 B16R0.221 CCCCCCCCCCCNCC(O)CC 2230a_200011215754_100011218378 [1,1,0,0,0,0|1,0,1]=4 1156 B16R0.221 CCCCCCCCCCCNCC(O)CC 34a_200011215754_100011218378 [1,1,0,0,0,0|1,0,1]=4 1157 B16R0.221 CCCCCCCCCCCNCC(O)CO 2230a_200011215754_100011219619 [1,1,0,0,0,0|0,0,1]=3 1158 B16R0.221 CCCCCCCCCCCNCC(O)CO 34a_200011215754_100011219619 [1,1,0,0,0,0|0,0,1]=3 1159 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 2230a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 1160 B16R0.221 CCCCCCCCCCCNC[C@@H](C)CO 34a_200011215754_100000059175 [1,1,0,0,0,0|1,0,1]=4 1161 B16R0.221 CCCCCCCCCCCNC[C@@H](F)CO 34a_100015665980_100011215454 [1,1,0,0,0,0|1,0,1]=4 1162 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 2230a_200011215754_100015614560 [1,1,0,0,0,0|1,0,1]=4 1163 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CF 34a_200011215754_100015614560 [1,1,0,0,0,0|1,0,1]=4 1164 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 2230a_200011215754_100009815848 [1,1,0,0,0,0|0,0,1]=3 1165 B16R0.221 CCCCCCCCCCCNC[C@@H](O)CO 34a_200011215754_100009815848 [1,1,0,0,0,0|0,0,1]=3 1166 B16R0.221 CCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100011215454 [1,1,0,0,0,0|0,0,1]=3 1167 B16R0.221 CCCCCCCCCCCOCC(O)CC 34a_100000210809_100011218378 [1,1,0,0,0,0|1,0,1]=4 1168 B16R0.221 CCCCCCCCCCCOCC(O)CC 7a_100000210809_100011218378 [1,1,0,0,0,0|1,0,1]=4 1169 B16R0.221 CCCCCCCCCCCOCC(O)CO 34a_100000210809_100011219619 [1,1,0,0,0,0|0,0,1]=3 1170 B16R0.221 CCCCCCCCCCCOCC(O)CO 7a_100000210809_100011219619 [1,1,0,0,0,0|0,0,1]=3 1171 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 34a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 1172 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CO 7a_100000210809_100000059175 [1,1,0,0,0,0|1,0,1]=4 1173 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 34a_100000210809_100015614560 [1,1,0,0,0,0|1,0,1]=4 1174 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CF 7a_100000210809_100015614560 [1,1,0,0,0,0|1,0,1]=4 1175 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 34a_100000210809_100009815848 [1,1,0,0,0,0|0,0,1]=3 1176 B16R0.221 CCCCCCCCCCCOC[C@@H](O)CO 7a_100000210809_100009815848 [1,1,0,0,0,0|0,0,1]=3 1177 B16R0.221 CCCCCCCCCCCSCC(O)CO 62a_100011219619_100011215454 [1,1,0,0,0,0|0,0,1]=3 1178 B16R0.221 CCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100011215454 [1,1,0,0,0,0|1,0,1]=4 1179 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CF 62a_100015614560_100011215454 [1,1,0,0,0,0|1,0,1]=4 1180 B16R0.221 CCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_100011215454 [1,1,0,0,0,0|0,0,1]=3 1181 B16R0.221 CCCCCCCCCCNCCC(C)CO 2230a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 1182 B16R0.221 CCCCCCCCCCNCCC(C)CO 34a_106354213184_100000210320 [1,1,0,0,0,0|1,0,1]=4 1183 B16R0.221 NCCCCCCCCCCOCC(O)CO 34a_100000066964_100011219619 [1,1,0,0,0,0|1,0,1]=4 1184 B16R0.221 NCCCCCCCCCCOC[C@@H](O)CO 34a_100000066964_100009815848 [1,1,0,0,0,0|1,0,1]=4 1185 B16R0.221 OCC(O)COCCCCCCCCCCBr 34a_100009813290_100011219619 [1,1,0,0,0,0|1,0,1]=4 1186 B16R0.221 OCC(O)COCCCCCCCCCCBr 7a_100009813290_100011219619 [1,1,0,0,0,0|1,0,1]=4 1187 B16R0.221 OCC(O)COCCCCCCCCCCCl 34a_200000033068_100011219619 [1,1,0,0,0,0|1,0,1]=4 1188 B16R0.221 OCC(O)COCCCCCCCCCCCl 7a_200000033068_100011219619 [1,1,0,0,0,0|1,0,1]=4 1189 B16R0.221 OCCCCCCCCCCNCC(O)CO 2230a_100000066964_100011219619 [1,1,0,0,0,0|1,0,1]=4 1190 B16R0.221 OCCCCCCCCCCNCC(O)CO 34a_100000066964_100011219619 [1,1,0,0,0,0|1,0,1]=4 1191 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 2230a_100000066964_100009815848 [1,1,0,0,0,0|1,0,1]=4 1192 B16R0.221 OCCCCCCCCCCNC[C@@H](O)CO 34a_100000066964_100009815848 [1,1,0,0,0,0|1,0,1]=4 1193 B16R0.221 OCCCCCCCCCCNC[C@H](O)CO 2230a_100020644852_100009813290 [1,1,0,0,0,0|1,0,1]=4 1194 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100009813290_100011219619 [1,1,0,0,0,0|1,0,1]=4 1195 B16R0.221 OCCCCCCCCCCSCC(O)CO 62a_100011219619_200000033068 [1,1,0,0,0,0|1,0,1]=4 1196 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009813290_100009815848 [1,1,0,0,0,0|1,0,1]=4 1197 B16R0.221 OCCCCCCCCCCSC[C@@H](O)CO 62a_100009815848_200000033068 [1,1,0,0,0,0|1,0,1]=4 1198 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 34a_100009813290_100009815848 [1,1,0,0,0,0|1,0,1]=4 1199 B16R0.221 OC[C@H](O)COCCCCCCCCCCBr 7a_100009813290_100009815848 [1,1,0,0,0,0|1,0,1]=4 1200 B16R0.221 OC[C@H](O)COCCCCCCCCCCCl 34a_200000033068_100009815848 [1,1,0,0,0,0|1,0,1]=4 1201 B16R0.221 OC[C@H](O)COCCCCCCCCCCCl 7a_200000033068_100009815848 [1,1,0,0,0,0|1,0,1]=4 1202 B16R0.222 C=C[C@@H](CO)NCCCCCCCCCCC 2230a_100016989147_100011215454 [1,1,0,0,0,0|2,0,0]=4 1203 B16R0.222 C=C[C@@H](CO)NCCCCCCCCCCC 34a_100016989147_100011215454 [1,1,0,0,0,0|2,0,0]=4 1204 B16R0.222 CCCCCCCCCCCNC(C=O)C=O 2230a_200011215754_100000736813 [1,1,0,0,0,0|1,0,1]=4 1205 B16R0.222 CCCCCCCCCCCNC(C=O)C=O 34a_200011215754_100000736813 [1,1,0,0,0,0|1,0,1]=4 1206 B16R0.222 CCCCCCCCCCCNC(CO)CO 2230a_100000759517_100011215454 [1,1,0,0,0,0|1,0,1]=4 1207 B16R0.222 CCCCCCCCCCCOC(C=O)C=O 34a_100000210809_100000736813 [1,1,0,0,0,0|1,0,1]=4 1208 B16R0.222 CCCCCCCCCCCSC(C=O)C=O 62a_100000736813_100011215454 [1,1,0,0,0,0|1,0,1]=4 1209 B16R0.1182 C=CC(O)CN(C)CCCCCCCCCC 2230a_100000207566_100000730141 [1,1,0,0,0,0|2,0,0]=4 1210 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 2230a_100000207566_100011219619 [1,1,0,0,0,0|1,0,1]=4 1211 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 2230a_100011216503_100000210320 [1,1,0,0,0,0|1,0,1]=4 1212 B16R0.1182 CCCCCCCCCCN(C)CC(O)CO 269982a_100011216503_100000210320 [1,1,0,0,0,0|1,0,1]=4 1213 B16R0.1182 CCCCCCCCCCN(C)C[C@@H](O)CO 2230a_100000207566_100009815848 [1,1,0,0,0,0|1,0,1]=4 1214 B16R0.1817 C=CC(O)COCC(C)CCCCCCCC 34a_200012125181_100000730141 [1,1,0,0,0,0|2,0,0]=4 1215 B16R0.1817 C=CC(O)COCC(C)CCCCCCCC 7a_200012125181_100000730141 [1,1,0,0,0,0|2,0,0]=4 1216 B16R0.1817 CCCCCCCCC(C)COCC(O)CO 34a_200012125181_100011219619 [1,1,0,0,0,0|1,0,1]=4 1217 B16R0.1817 CCCCCCCCC(C)COCC(O)CO 7a_200012125181_100011219619 [1,1,0,0,0,0|1,0,1]=4 1218 B16R0.1817 CCCCCCCCC(C)COC[C@@H](O)CO 34a_200012125181_100009815848 [1,1,0,0,0,0|1,0,1]=4 1219 B16R0.1817 CCCCCCCCC(C)COC[C@@H](O)CO 7a_200012125181_100009815848 [1,1,0,0,0,0|1,0,1]=4 1220 B16R0.6606 C=CC(O)COC(C)CCCCCCCCC 34a_100011218016_100000730141 [1,1,0,0,0,0|2,0,0]=4 1221 B16R0.6606 C=CC(O)COC(C)CCCCCCCCC 7a_100011218016_100000730141 [1,1,0,0,0,0|2,0,0]=4 1222 B16R0.6606 CCCCCCCCCC(C)OCC(O)CO 34a_100011218016_100011219619 [1,1,0,0,0,0|1,0,1]=4 1223 B16R0.6606 CCCCCCCCCC(C)OCC(O)CO 7a_100011218016_100011219619 [1,1,0,0,0,0|1,0,1]=4 1224 B16R0.6606 CCCCCCCCCC(C)OC[C@@H](O)CO 34a_100011218016_100009815848 [1,1,0,0,0,0|1,0,1]=4 1225 B16R0.6606 CCCCCCCCCC(C)OC[C@@H](O)CO 7a_100011218016_100009815848 [1,1,0,0,0,0|1,0,1]=4 1226 B16R0.67 CCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000210320 [1,1,0,0,0,0|2,0,0]=4 1227 B16R0.223 CCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210670 [1,1,0,0,0,0|2,0,0]=4 1228 B16R0.223 CCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100000210670 [1,1,0,0,0,0|2,0,0]=4 1229 B16R0.656 C=C[C@H](NCCCCCCCCCC)C(=O)O 269956a_100016992060_100000210320 [1,1,0,0,0,0|2,0,0]=4 1230 B16R0.656 CCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000210320 [1,1,0,0,0,0|1,0,0]=3 1231 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100000210320 [1,1,0,0,0,0|2,0,0]=4 1232 B16R0.656 CCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000210320 [1,1,0,0,0,0|2,0,0]=4 1233 B16R0.656 CCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000210320 [1,1,0,0,0,0|2,0,0]=4 1234 B16R0.656 O=C(O)C(CO)NCCCCCCCCCO 269956a_100000187304_100009813782 [1,1,0,0,0,0|2,0,0]=4 1235 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 34a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 1236 B16R0.41 CCCC(C)CCCOCCCCCC(=O)N 7a_100011713154_100009817443 [1,1,0,0,0,0|2,0,0]=4 1237 B16R0.114 CCCCCCCC(=O)CCCCCC(=O)N 1458a_100000211969_100009817443 [1,1,0,0,0,0|1,0,1]=4 1238 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 270004a_100000696515_100000210596 [1,1,0,0,0,0|2,0,0]=4 1239 B16R0.114 CCCCCCCC(C)NCCCCC(=O)N 34a_100000696515_200011218727 [1,1,0,0,0,0|2,0,0]=4 1240 B16R0.114 CCCCCCCC(C)NCCOCC(=O)O 269956a_100000700818_200011218727 [1,1,0,0,0,0|2,0,0]=4 1241 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 34a_200011215852_100009817362 [1,1,0,0,0,0|2,0,0]=4 1242 B16R0.114 CCCCCCCC(C)OCCCCC(=O)C 7a_200011215852_100000735457 [1,1,0,0,0,0|2,0,0]=4 1243 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 34a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 1244 B16R0.114 CCCCCCCC(C)OCCCCC(=O)N 7a_100012022536_200011218727 [1,1,0,0,0,0|2,0,0]=4 1245 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 2230a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 1246 B16R0.114 CCCCCCCN(C)CCCCCC(=O)N 269982a_100000228206_100009817443 [1,1,0,0,0,0|2,0,0]=4 1247 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 34a_200011021034_100000685027 [1,1,0,0,0,0|2,0,0]=4 1248 B16R0.131 CCCCC(C)CCCCOCCCC(=O)C 7a_200011021034_100011215641 [1,1,0,0,0,0|2,0,0]=4 1249 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 34a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 1250 B16R0.131 CCCCC(C)CCCCOCCCC(=O)N 7a_200011021034_100102525003 [1,1,0,0,0,0|2,0,0]=4 1251 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 34a_200011024964_100000685027 [1,1,0,0,0,0|2,0,0]=4 1252 B16R0.177 CCCCCCC(C)CCOCCCC(=O)C 7a_200011024964_100011215641 [1,1,0,0,0,0|2,0,0]=4 1253 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 34a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 1254 B16R0.177 CCCCCCC(C)CCOCCCC(=O)N 7a_200011024964_100102525003 [1,1,0,0,0,0|2,0,0]=4 1255 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 2230a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 1256 B16R0.177 CCCCCCC(C)NCCCCCC(=O)N 34a_100000210919_100009817443 [1,1,0,0,0,0|2,0,0]=4 1257 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 1258 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 34a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 1259 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000123541_100011215978 [1,1,0,0,0,0|2,0,0]=4 1260 B16R0.177 CCCCCCC(C)OCCCCCC(=O)N 7a_100000210265_100009817443 [1,1,0,0,0,0|2,0,0]=4 1261 B16R0.177 CCCCCCC(C)OCCCCCC(=O)[O-] 7a_100102619762_100011215978 [1,1,0,0,0,0|1,0,1]=4 1262 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100009817443_100011215978 [1,1,0,0,0,0|2,0,0]=4 1263 B16R0.177 CCCCCCC(C)SCCCCCC(=O)N 62a_100011215978_100009817443 [1,1,0,0,0,0|2,0,0]=4 1264 B16R0.274 C=C(F)CNCCCCCCCCCCCC 2230a_100000210451_100009893438 [1,1,0,0,0,0|2,0,0]=4 1265 B16R0.274 C=C(F)CNCCCCCCCCCCCC 34a_100000210451_100009893438 [1,1,0,0,0,0|2,0,0]=4 1266 B16R0.274 C=CCCCCCCCCCCNCC(=O)O 269956a_100016091260_100011093070 [1,1,0,0,0,0|0,0,2]=4 1267 B16R0.274 CC(=O)CCCCCCCCCCCCCO 1458a_100000070787_100009812470 [1,1,0,0,0,0|1,0,0]=3 1268 B16R0.274 CC(=O)CCCCNCCCCCCCCO 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 1269 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 34a_100009813846_100009817362 [1,1,0,0,0,0|2,0,0]=4 1270 B16R0.274 CC(=O)CCCCOCCCCCCCCBr 7a_100009813846_100000735457 [1,1,0,0,0,0|2,0,0]=4 1271 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 34a_100000033203_100009817362 [1,1,0,0,0,0|2,0,0]=4 1272 B16R0.274 CC(=O)CCCCOCCCCCCCCCl 7a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 1273 B16R0.274 CC(=O)CCCCOCCCCCCCCN 34a_102515433106_100009817362 [1,1,0,0,0,0|2,0,0]=4 1274 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000033203_100000735457 [1,1,0,0,0,0|2,0,0]=4 1275 B16R0.274 CC(=O)CCCCSCCCCCCCCO 62a_100000735457_100000033203 [1,1,0,0,0,0|2,0,0]=4 1276 B16R0.274 CC(=O)CCCNCCCCCCCCCO 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 1277 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100000685027 [1,1,0,0,0,0|2,0,0]=4 1278 B16R0.274 CC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 1279 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100000685027 [1,1,0,0,0,0|2,0,0]=4 1280 B16R0.274 CC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100011215641 [1,1,0,0,0,0|2,0,0]=4 1281 B16R0.274 CC(=O)CCCOCCCCCCCCCN 34a_100000078944_100000685027 [1,1,0,0,0,0|2,0,0]=4 1282 B16R0.274 CC(=O)CCCOCCCCCCCCCO 34a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 1283 B16R0.274 CC(=O)CCCOCCCCCCCCCO 7a_100000759063_100009813782 [1,1,0,0,0,0|2,0,0]=4 1284 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100009813782_100011215641 [1,1,0,0,0,0|2,0,0]=4 1285 B16R0.274 CC(=O)CCCSCCCCCCCCCO 62a_100011215641_100009813782 [1,1,0,0,0,0|2,0,0]=4 1286 B16R0.274 CC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 1287 B16R0.274 CC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000053229 [1,1,0,0,0,0|2,0,0]=4 1288 B16R0.274 CC(=O)CCOCCCCCCCCCCO 34a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 1289 B16R0.274 CC(=O)CCOCCCCCCCCCCO 7a_100000759926_100009813290 [1,1,0,0,0,0|2,0,0]=4 1290 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100000053229_200000033068 [1,1,0,0,0,0|2,0,0]=4 1291 B16R0.274 CC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000053229 [1,1,0,0,0,0|2,0,0]=4 1292 B16R0.274 CC(=O)COCCCCCCCCCCCO 34a_100000211253_100009812471 [1,1,0,0,0,0|2,0,0]=4 1293 B16R0.274 CC(=O)NCCCCCCCCCCCCO 240690a_100000066677_100015343762 [1,1,0,0,0,0|2,0,0]=4 1294 B16R0.274 CCCCC#CCCCCCCNCC(=O)O 269956a_100016091260_200000043322 [1,1,0,0,0,0|0,0,2]=4 1295 B16R0.274 CCCCCCCCCCCCCNC(=O)C 11a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1296 B16R0.274 CCCCCCCCCCCCCNC(=O)C 1626a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1297 B16R0.274 CCCCCCCCCCCCCNC(=O)C 240690a_100011215765_100015343762 [1,1,0,0,0,0|1,0,0]=3 1298 B16R0.274 CCCCCCCCCCCCCNC(=O)C 527a_100011215765_100103153847 [1,1,0,0,0,0|1,0,0]=3 1299 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [1,1,0,0,0,0|1,0,0]=3 1300 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [1,1,0,0,0,0|1,0,0]=3 1301 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [1,1,0,0,0,0|1,0,0]=3 1302 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [1,1,0,0,0,0|0,0,0]=2 1303 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [1,1,0,0,0,0|0,0,1]=3 1304 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 1305 B16R0.274 CCCCCCCCCCCCNCC(C)O 2230a_100000210904_100011215052 [1,1,0,0,0,0|1,0,1]=4 1306 B16R0.274 CCCCCCCCCCCCNCC(C)O 270004a_100000210904_100011218549 [1,1,0,0,0,0|1,0,1]=4 1307 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210451_100011218427 [1,1,0,0,0,0|1,0,1]=4 1308 B16R0.274 CCCCCCCCCCCCNCC(C)O 34a_100000210904_100000759014 [1,1,0,0,0,0|1,0,1]=4 1309 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 2230a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 1310 B16R0.274 CCCCCCCCCCCCNC[C@@H](C)O 34a_100000210451_100009817552 [1,1,0,0,0,0|1,0,1]=4 1311 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [1,1,0,0,0,0|1,0,1]=4 1312 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [1,1,0,0,0,0|1,0,0]=3 1313 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 1314 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [1,1,0,0,0,0|1,0,0]=3 1315 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [1,1,0,0,0,0|0,0,1]=3 1316 B16R0.274 CCCCCCCCCCCCOCC(C)O 34a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 1317 B16R0.274 CCCCCCCCCCCCOCC(C)O 7a_100000210810_100011218427 [1,1,0,0,0,0|1,0,1]=4 1318 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 34a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 1319 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)O 7a_100000210810_100009817552 [1,1,0,0,0,0|1,0,1]=4 1320 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [1,1,0,0,0,0|1,0,1]=4 1321 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [1,1,0,0,0,0|1,0,0]=3 1322 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [1,1,0,0,0,0|0,0,1]=3 1323 B16R0.274 CCCCCCCCCCCNCCC(=O)N 2230a_200011215754_100000744528 [1,1,0,0,0,0|1,0,0]=3 1324 B16R0.274 CCCCCCCCCCCNCCC(=O)N 34a_200011215754_100000731001 [1,1,0,0,0,0|1,0,0]=3 1325 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200000755665_100011215454 [1,1,0,0,0,0|1,0,1]=4 1326 B16R0.274 CCCCCCCCCCCNCCC(C)O 2230a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 1327 B16R0.274 CCCCCCCCCCCNCCC(C)O 34a_200011215754_100012276601 [1,1,0,0,0,0|1,0,1]=4 1328 B16R0.274 CCCCCCCCCCCNCOC(=O)C 34a_200011215754_100009813279 [1,1,0,0,0,0|2,0,0]=4 1329 B16R0.274 CCCCCCCCCCCNOCC(=O)O 269956a_100000106656_100011215454 [1,1,0,0,0,0|1,0,0]=3 1330 B16R0.274 CCCCCCCCCCCOCCC(=O)C 34a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 1331 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000210809_100000053229 [1,1,0,0,0,0|1,0,0]=3 1332 B16R0.274 CCCCCCCCCCCOCCC(=O)C 7a_100000759926_100011215454 [1,1,0,0,0,0|1,0,0]=3 1333 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000210809_100000731001 [1,1,0,0,0,0|1,0,0]=3 1334 B16R0.274 CCCCCCCCCCCOCCC(=O)N 34a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 1335 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000210809_100000744528 [1,1,0,0,0,0|1,0,0]=3 1336 B16R0.274 CCCCCCCCCCCOCCC(=O)N 7a_100000757172_100011215454 [1,1,0,0,0,0|1,0,0]=3 1337 B16R0.274 CCCCCCCCCCCOCCC(C)O 34a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 1338 B16R0.274 CCCCCCCCCCCOCCC(C)O 7a_100000210809_100012276601 [1,1,0,0,0,0|1,0,1]=4 1339 B16R0.274 CCCCCCCCCCCOCOC(=O)C 34a_100000210809_100009813279 [1,1,0,0,0,0|2,0,0]=4 1340 B16R0.274 CCCCCCCCCCCSCCC(=O)N 62a_100000744528_100011215454 [1,1,0,0,0,0|1,0,0]=3 1341 B16R0.274 CCCCCCCCCCCSCOC(=O)C 62a_100000076356_100011215454 [1,1,0,0,0,0|2,0,0]=4 1342 B16R0.274 CCCCCCCCCCNCCCC(=O)C 34a_100000684558_100000685027 [1,1,0,0,0,0|1,0,0]=3 1343 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000684558_100102525003 [1,1,0,0,0,0|1,0,0]=3 1344 B16R0.274 CCCCCCCCCCNCCCC(=O)N 34a_100000739312_100000210320 [1,1,0,0,0,0|1,0,0]=3 1345 B16R0.274 CCCCCCCCCCNCCCC(C)O 2230a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 1346 B16R0.274 CCCCCCCCCCNCCCC(C)O 34a_100000684558_200000718107 [1,1,0,0,0,0|1,0,1]=4 1347 B16R0.274 CCCCCCCCCCNCCCS(=O)C 2230a_200000753449_100000210320 [1,1,0,0,0,0|2,0,0]=4 1348 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000209853_100000210320 [1,1,0,0,0,0|2,0,0]=4 1349 B16R0.274 CCCCCCCCCCNCCNC(=O)C 2230a_100000684558_100000189650 [1,1,0,0,0,0|2,0,0]=4 1350 B16R0.274 CCCCCCCCCCNCCNC(=O)N 2230a_100000684558_200000034859 [1,1,0,0,0,0|2,0,0]=4 1351 B16R0.274 CCCCCCCCCCNCCNC(=O)N 34a_100020590234_100000210320 [1,1,0,0,0,0|2,0,0]=4 1352 B16R0.274 CCCCCCCCCCNCCOC(=O)C 34a_100000684558_100009814007 [1,1,0,0,0,0|2,0,0]=4 1353 B16R0.274 CCCCCCCCCCNCCOC(=O)N 34a_100000684558_200011214921 [1,1,0,0,0,0|2,0,0]=4 1354 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000210711_100000685027 [1,1,0,0,0,0|1,0,0]=3 1355 B16R0.274 CCCCCCCCCCOCCCC(=O)C 34a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 1356 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000210711_100011215641 [1,1,0,0,0,0|1,0,0]=3 1357 B16R0.274 CCCCCCCCCCOCCCC(=O)C 7a_100000759063_100000210320 [1,1,0,0,0,0|1,0,0]=3 1358 B16R0.274 CCCCCCCCCCOCCCC(=O)N 34a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 1359 B16R0.274 CCCCCCCCCCOCCCC(=O)N 7a_100000210711_100102525003 [1,1,0,0,0,0|1,0,0]=3 1360 B16R0.274 CCCCCCCCCCOCCCC(C)O 34a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 1361 B16R0.274 CCCCCCCCCCOCCCC(C)O 7a_100000210711_200000718107 [1,1,0,0,0,0|1,0,1]=4 1362 B16R0.274 CCCCCCCCCCOCCC[N+](=O)[O-] 34a_200000037920_100000210320 [1,1,0,0,0,0|1,0,1]=4 1363 B16R0.274 CCCCCCCCCCOCCNC(=O)C 34a_100000158858_100000210320 [1,1,0,0,0,0|2,0,0]=4 1364 B16R0.274 CCCCCCCCCCOCCNC(=O)C 7a_100000210711_100000189650 [1,1,0,0,0,0|2,0,0]=4 1365 B16R0.274 CCCCCCCCCCOCCNC(=O)N 34a_100000181757_100000210320 [1,1,0,0,0,0|2,0,0]=4 1366 B16R0.274 CCCCCCCCCCOCCNC(=O)N 7a_100000210711_200000034859 [1,1,0,0,0,0|2,0,0]=4 1367 B16R0.274 CCCCCCCCCCOCCOC(=O)C 34a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 1368 B16R0.274 CCCCCCCCCCOCCOC(=O)C 7a_100000210711_100009814007 [1,1,0,0,0,0|2,0,0]=4 1369 B16R0.274 CCCCCCCCCCOCCOC(=O)N 34a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 1370 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000210711_200011214921 [1,1,0,0,0,0|2,0,0]=4 1371 B16R0.274 CCCCCCCCCCOCCOC(=O)N 7a_100000766696_100000210320 [1,1,0,0,0,0|2,0,0]=4 1372 B16R0.274 CCCCCCCCCCSCCCC(=O)N 62a_100102525003_100000210320 [1,1,0,0,0,0|1,0,0]=3 1373 B16R0.274 CCCCCCCCCCSCCNC(=O)C 62a_100000189650_100000210320 [1,1,0,0,0,0|2,0,0]=4 1374 B16R0.274 CCCCCCCCCCSCCNC(=O)N 62a_200000034859_100000210320 [1,1,0,0,0,0|2,0,0]=4 1375 B16R0.274 CCCCCCCCCCSCCOC(=O)C 62a_100009814007_100000210320 [1,1,0,0,0,0|2,0,0]=4 1376 B16R0.274 CCCCCCCCCCSCCOC(=O)N 62a_200011214921_100000210320 [1,1,0,0,0,0|2,0,0]=4 1377 B16R0.274 CCCCCCCCCNCCCCB(O)O 2230a_100000212291_200009817182 [1,1,0,0,0,0|1,0,1]=4 1378 B16R0.274 CCCCCCCCCNCCCCB(O)O 34a_100000212291_200009817182 [1,1,0,0,0,0|1,0,1]=4 1379 B16R0.274 CCCCCCCCCNCCCCC(=O)C 34a_100000212291_100009817362 [1,1,0,0,0,0|1,0,0]=3 1380 B16R0.274 CCCCCCCCCNCCCCC(=O)N 34a_100000696515_100011214924 [1,1,0,0,0,0|1,0,0]=3 1381 B16R0.274 CCCCCCCCCNCCCNC(=O)C 34a_100000736810_100011214924 [1,1,0,0,0,0|2,0,0]=4 1382 B16R0.274 CCCCCCCCCNCCCOC(=O)C 34a_100000212291_100000042594 [1,1,0,0,0,0|2,0,0]=4 1383 B16R0.274 CCCCCCCCCNCCCSC(=O)C 2230a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 1384 B16R0.274 CCCCCCCCCNCCCSC(=O)C 34a_100000212291_100000038929 [1,1,0,0,0,0|2,0,0]=4 1385 B16R0.274 CCCCCCCCCNCCOCC(=O)N 2230a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 1386 B16R0.274 CCCCCCCCCNCCOCC(=O)N 34a_100000212291_100000076697 [1,1,0,0,0,0|2,0,0]=4 1387 B16R0.274 CCCCCCCCCNCCOCC(=O)O 269956a_100000700818_100000210670 [1,1,0,0,0,0|1,0,0]=3 1388 B16R0.274 CCCCCCCCCOCCCCB(O)O 34a_100000210712_200009817182 [1,1,0,0,0,0|1,0,1]=4 1389 B16R0.274 CCCCCCCCCOCCCCB(O)O 7a_100000210712_200009817182 [1,1,0,0,0,0|1,0,1]=4 1390 B16R0.274 CCCCCCCCCOCCCCC(=O)C 34a_100000210712_100009817362 [1,1,0,0,0,0|1,0,0]=3 1391 B16R0.274 CCCCCCCCCOCCCCC(=O)C 7a_100000210712_100000735457 [1,1,0,0,0,0|1,0,0]=3 1392 B16R0.274 CCCCCCCCCOCCCCC(=O)N 34a_100012022536_100011214924 [1,1,0,0,0,0|1,0,0]=3 1393 B16R0.274 CCCCCCCCCOCCCCC(=O)N 7a_100012022536_100000210328 [1,1,0,0,0,0|1,0,0]=3 1394 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 34a_200015379883_100011214924 [1,1,0,0,0,0|1,0,1]=4 1395 B16R0.274 CCCCCCCCCOCCCC[N+](=O)[O-] 7a_200015379883_100000210328 [1,1,0,0,0,0|1,0,1]=4 1396 B16R0.274 CCCCCCCCCOCCCNC(=O)C 34a_100000752032_100011214924 [1,1,0,0,0,0|2,0,0]=4 1397 B16R0.274 CCCCCCCCCOCCCOC(=O)C 34a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 1398 B16R0.274 CCCCCCCCCOCCCOC(=O)C 7a_100000210712_100000042594 [1,1,0,0,0,0|2,0,0]=4 1399 B16R0.274 CCCCCCCCCOCCCSC(=O)C 34a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 1400 B16R0.274 CCCCCCCCCOCCCSC(=O)C 7a_100000210712_100000038929 [1,1,0,0,0,0|2,0,0]=4 1401 B16R0.274 CCCCCCCCCOCCOCC(=O)N 34a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 1402 B16R0.274 CCCCCCCCCOCCOCC(=O)N 7a_100000210712_100000076697 [1,1,0,0,0,0|2,0,0]=4 1403 B16R0.274 CCCCCCCCCSCCCCB(O)O 62a_200009817182_100000210670 [1,1,0,0,0,0|1,0,1]=4 1404 B16R0.274 CCCCCCCCCSCCCOC(=O)C 62a_100000042594_100000210670 [1,1,0,0,0,0|2,0,0]=4 1405 B16R0.274 CCCCCCCCCSCCOCC(=O)N 62a_100000076697_100000210670 [1,1,0,0,0,0|2,0,0]=4 1406 B16R0.274 CCCCCCCCNCCCCCB(O)O 2230a_100000229939_200009817188 [1,1,0,0,0,0|1,0,1]=4 1407 B16R0.274 CCCCCCCCNCCCCCB(O)O 34a_100000229939_200009817188 [1,1,0,0,0,0|1,0,1]=4 1408 B16R0.274 CCCCCCCCNCCCCCC(=O)N 2230a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 1409 B16R0.274 CCCCCCCCNCCCCCC(=O)N 34a_100000229939_100009817443 [1,1,0,0,0,0|1,0,0]=3 1410 B16R0.274 CCCCCCCCNCCCCNC(=O)C 2230a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 1411 B16R0.274 CCCCCCCCNCCCCNC(=O)C 34a_200011368371_100000210759 [1,1,0,0,0,0|2,0,0]=4 1412 B16R0.274 CCCCCCCCNCCCCOC(=O)C 34a_100000229939_100000033659 [1,1,0,0,0,0|2,0,0]=4 1413 B16R0.274 CCCCCCCCNCCCCSC(=O)C 2230a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 1414 B16R0.274 CCCCCCCCNCCCCSC(=O)C 34a_100000229939_200010402107 [1,1,0,0,0,0|2,0,0]=4 1415 B16R0.274 CCCCCCCCOCCCCCB(O)O 34a_100000210232_200009817188 [1,1,0,0,0,0|1,0,1]=4 1416 B16R0.274 CCCCCCCCOCCCCCB(O)O 7a_100000210232_200009817188 [1,1,0,0,0,0|1,0,1]=4 1417 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 1418 B16R0.274 CCCCCCCCOCCCCCC(=O)N 34a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 1419 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000123541_100000210759 [1,1,0,0,0,0|1,0,0]=3 1420 B16R0.274 CCCCCCCCOCCCCCC(=O)N 7a_100000210232_100009817443 [1,1,0,0,0,0|1,0,0]=3 1421 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [1,1,0,0,0,0|0,0,1]=3 1422 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 1423 B16R0.274 CCCCCCCCOCCCCOC(=O)C 34a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 1424 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000073216_100000210759 [1,1,0,0,0,0|2,0,0]=4 1425 B16R0.274 CCCCCCCCOCCCCOC(=O)C 7a_100000210232_100000033659 [1,1,0,0,0,0|2,0,0]=4 1426 B16R0.274 CCCCCCCCOCCCCSC(=O)C 34a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 1427 B16R0.274 CCCCCCCCOCCCCSC(=O)C 7a_100000210232_200010402107 [1,1,0,0,0,0|2,0,0]=4 1428 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_100000210759_200009817188 [1,1,0,0,0,0|1,0,1]=4 1429 B16R0.274 CCCCCCCCSCCCCCB(O)O 62a_200009817188_100000210317 [1,1,0,0,0,0|1,0,1]=4 1430 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100000210759_100009817443 [1,1,0,0,0,0|1,0,0]=3 1431 B16R0.274 CCCCCCCCSCCCCCC(=O)N 62a_100009817443_100000210317 [1,1,0,0,0,0|1,0,0]=3 1432 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000033659_100000210317 [1,1,0,0,0,0|2,0,0]=4 1433 B16R0.274 CCCCCCCCSCCCCOC(=O)C 62a_100000210759_100000033659 [1,1,0,0,0,0|2,0,0]=4 1434 B16R0.274 CCCCCCCNCCCCCCB(O)O 2230a_100000229938_100009817187 [1,1,0,0,0,0|1,0,1]=4 1435 B16R0.274 CCCCCCCNCCCCCNC(=O)C 2230a_200012022750_100000210681 [1,1,0,0,0,0|2,0,0]=4 1436 B16R0.274 CCCCCCCNCCCCCNC(=O)C 34a_200012022750_100000210614 [1,1,0,0,0,0|2,0,0]=4 1437 B16R0.274 CCCCCCCNCCCCCOC(=O)C 2230a_100000229938_100009813381 [1,1,0,0,0,0|2,0,0]=4 1438 B16R0.274 CCCCCCCOCCCCCCB(O)O 34a_100000210272_100009817187 [1,1,0,0,0,0|1,0,1]=4 1439 B16R0.274 CCCCCCCOCCCCCCB(O)O 7a_100000210272_100009817187 [1,1,0,0,0,0|1,0,1]=4 1440 B16R0.274 CCCCCCCOCCCCCOC(=O)C 34a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 1441 B16R0.274 CCCCCCCOCCCCCOC(=O)C 7a_100000210272_100000033007 [1,1,0,0,0,0|2,0,0]=4 1442 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100000210614_100009817187 [1,1,0,0,0,0|1,0,1]=4 1443 B16R0.274 CCCCCCCSCCCCCCB(O)O 62a_100009817187_100000210316 [1,1,0,0,0,0|1,0,1]=4 1444 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000033007_100000210316 [1,1,0,0,0,0|2,0,0]=4 1445 B16R0.274 CCCCCCCSCCCCCOC(=O)C 62a_100000210614_100000033007 [1,1,0,0,0,0|2,0,0]=4 1446 B16R0.274 CCCCCCNCCCCCCNC(=O)C 2230a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 1447 B16R0.274 CCCCCCNCCCCCCNC(=O)C 34a_200011996284_100000210314 [1,1,0,0,0,0|2,0,0]=4 1448 B16R0.274 CCCCCCNCCOCCOCC(=O)O 269956a_100009854275_100000210757 [1,1,0,0,0,0|2,0,0]=4 1449 B16R0.274 CCCCCCOCCOCCCCC(=O)C 34a_100000691444_100009817362 [1,1,0,0,0,0|2,0,0]=4 1450 B16R0.274 CCCCCCOCCOCCCCC(=O)C 7a_100000691444_100000735457 [1,1,0,0,0,0|2,0,0]=4 1451 B16R0.274 CCCCCNCCOCCCCCC(=O)N 34a_100000224656_100009817443 [1,1,0,0,0,0|2,0,0]=4 1452 B16R0.274 CCCCCOCCOCCCCCC(=O)N 34a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 1453 B16R0.274 CCCCCOCCOCCCCCC(=O)N 7a_100011215259_100009817443 [1,1,0,0,0,0|2,0,0]=4 1454 B16R0.274 CCCCNCCCCOCCCCC(=O)C 34a_200011216965_100009817362 [1,1,0,0,0,0|2,0,0]=4 1455 B16R0.274 CCCCOCCCCOCCCCC(=O)C 34a_200000760531_100009817362 [1,1,0,0,0,0|2,0,0]=4 1456 B16R0.274 CCCCOCCCCOCCCCC(=O)C 7a_200000760531_100000735457 [1,1,0,0,0,0|2,0,0]=4 1457 B16R0.274 CCCCOCCCNCCCCCC(=O)N 2230a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 1458 B16R0.274 CCCCOCCCNCCCCCC(=O)N 34a_200000211371_100009817443 [1,1,0,0,0,0|2,0,0]=4 1459 B16R0.274 CCCCOCCCOCCCCCC(=O)N 34a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 1460 B16R0.274 CCCCOCCCOCCCCCC(=O)N 7a_200011215613_100009817443 [1,1,0,0,0,0|2,0,0]=4 1461 B16R0.274 CCCOCCCCCCCCCCC(=O)N 34a_100000210258_200010167045 [1,1,0,0,0,0|1,0,0]=3 1462 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_100000210303_200010167045 [1,1,0,0,0,0|1,0,0]=3 1463 B16R0.274 CCCSCCCCCCCCCCC(=O)N 62a_200010167045_100000210303 [1,1,0,0,0,0|1,0,0]=3 1464 B16R0.274 CCOCCCCCCCCCOCC(=O)N 34a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 1465 B16R0.274 CCOCCCCCCCCCOCC(=O)N 7a_100009875440_100000187820 [1,1,0,0,0,0|2,0,0]=4 1466 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [1,1,0,0,0,0|1,0,1]=4 1467 B16R0.274 CNCCCCCCCCCCCSC(=O)C 2230a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 1468 B16R0.274 CNCCCCCCCCCCCSC(=O)C 34a_100102657272_100010140907 [1,1,0,0,0,0|2,0,0]=4 1469 B16R0.274 CNCCCCCCCCCCCSC(=O)C 7a_106832991635_100010140907 [1,1,0,0,0,0|2,0,0]=4 1470 B16R0.274 COCCCCCCCCCCCSC(=O)C 34a_100138415774_100010140907 [1,1,0,0,0,0|2,0,0]=4 1471 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 1472 B16R0.274 COCCCCCCOCCCCCC(=O)N 34a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 1473 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_100000123541_100011998445 [1,1,0,0,0,0|2,0,0]=4 1474 B16R0.274 COCCCCCCOCCCCCC(=O)N 7a_200012092642_100009817443 [1,1,0,0,0,0|2,0,0]=4 1475 B16R0.274 COCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100011998445 [1,1,0,0,0,0|1,0,1]=4 1476 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100009817443_100011998445 [1,1,0,0,0,0|2,0,0]=4 1477 B16R0.274 COCCCCCCSCCCCCC(=O)N 62a_100011998445_100009817443 [1,1,0,0,0,0|2,0,0]=4 1478 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_100000766300_200010167045 [1,1,0,0,0,0|2,0,0]=4 1479 B16R0.274 COCSCCCCCCCCCCC(=O)N 62a_200010167045_100000766300 [1,1,0,0,0,0|2,0,0]=4 1480 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_100011218213_200010167045 [1,1,0,0,0,0|2,0,0]=4 1481 B16R0.274 CSCSCCCCCCCCCCC(=O)N 62a_200010167045_100011218213 [1,1,0,0,0,0|2,0,0]=4 1482 B16R0.274 NC(=O)CCCCCCCCCCNCCF 34a_100000724931_200010167045 [1,1,0,0,0,0|2,0,0]=4 1483 B16R0.274 NC(=O)CCCCCCCCCCNCCO 2230a_100016997473_200010167045 [1,1,0,0,0,0|2,0,0]=4 1484 B16R0.274 NC(=O)CCCCCCCCCCNCCO 34a_100016990907_200010167045 [1,1,0,0,0,0|2,0,0]=4 1485 B16R0.274 NC(=O)CCCCCCCCCCOCCBr 34a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 1486 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_100011217306_200010167045 [1,1,0,0,0,0|2,0,0]=4 1487 B16R0.274 NC(=O)CCCCCCCCCCSCCF 62a_200010167045_100011217306 [1,1,0,0,0,0|2,0,0]=4 1488 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_100000211926_200010167045 [1,1,0,0,0,0|2,0,0]=4 1489 B16R0.274 NC(=O)CCCCCCCCCCSCCO 62a_200010167045_100000211926 [1,1,0,0,0,0|2,0,0]=4 1490 B16R0.274 NC(=O)CCCCCNCCCCCCCO 2230a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1491 B16R0.274 NC(=O)CCCCCNCCCCCCCO 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1492 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 34a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1493 B16R0.274 NC(=O)CCCCCOCCCCCCCBr 7a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1494 B16R0.274 NC(=O)CCCCCOCCCCCCCO 34a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 1495 B16R0.274 NC(=O)CCCCCOCCCCCCCO 7a_100000123541_100000760002 [1,1,0,0,0,0|2,0,0]=4 1496 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100000760002_100009817443 [1,1,0,0,0,0|2,0,0]=4 1497 B16R0.274 NC(=O)CCCCCSCCCCCCCO 62a_100009817443_100000760002 [1,1,0,0,0,0|2,0,0]=4 1498 B16R0.274 NC(=O)CCCCNCCCCCCCCO 34a_100000696515_100000033203 [1,1,0,0,0,0|2,0,0]=4 1499 B16R0.274 NC(=O)CCCCOCCCCCCCCO 34a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 1500 B16R0.274 NC(=O)CCCCOCCCCCCCCO 7a_100012022536_100000033203 [1,1,0,0,0,0|2,0,0]=4 1501 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 1502 B16R0.274 NC(=O)CCCNCCCCCCCCCO 34a_100000739312_100009813782 [1,1,0,0,0,0|2,0,0]=4 1503 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 34a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1504 B16R0.274 NC(=O)CCCOCCCCCCCCCBr 7a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1505 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 34a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 1506 B16R0.274 NC(=O)CCCOCCCCCCCCCCl 7a_100009868337_100102525003 [1,1,0,0,0,0|2,0,0]=4 1507 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100009813782_100102525003 [1,1,0,0,0,0|2,0,0]=4 1508 B16R0.274 NC(=O)CCCSCCCCCCCCCO 62a_100102525003_100009813782 [1,1,0,0,0,0|2,0,0]=4 1509 B16R0.274 NC(=O)CCNCCCCCCCCCCO 2230a_100000066964_100000744528 [1,1,0,0,0,0|2,0,0]=4 1510 B16R0.274 NC(=O)CCNCCCCCCCCCCO 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 1511 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 34a_100009813290_100000731001 [1,1,0,0,0,0|2,0,0]=4 1512 B16R0.274 NC(=O)CCOCCCCCCCCCCBr 7a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 1513 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 34a_200000033068_100000731001 [1,1,0,0,0,0|2,0,0]=4 1514 B16R0.274 NC(=O)CCOCCCCCCCCCCCl 7a_200000033068_100000744528 [1,1,0,0,0,0|2,0,0]=4 1515 B16R0.274 NC(=O)CCOCCCCCCCCCCO 34a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 1516 B16R0.274 NC(=O)CCOCCCCCCCCCCO 7a_100000757172_100009813290 [1,1,0,0,0,0|2,0,0]=4 1517 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100000744528_200000033068 [1,1,0,0,0,0|2,0,0]=4 1518 B16R0.274 NC(=O)CCSCCCCCCCCCCO 62a_100009813290_100000744528 [1,1,0,0,0,0|2,0,0]=4 1519 B16R0.274 NC(=O)CNCCCCCCCCCCCO 2230a_100000711301_100009812471 [1,1,0,0,0,0|2,0,0]=4 1520 B16R0.274 NC(=O)COCCCCCCCCCCCBr 34a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1521 B16R0.274 NC(=O)COCCCCCCCCCCCBr 7a_100009812471_100000187820 [1,1,0,0,0,0|2,0,0]=4 1522 B16R0.274 NC(=O)CSCCCCCCCCCCCO 62a_100009812471_100000747473 [1,1,0,0,0,0|2,0,0]=4 1523 B16R0.274 NCCCCCCCCCCOCCC(=O)N 34a_100000066964_100000731001 [1,1,0,0,0,0|2,0,0]=4 1524 B16R0.274 NCCCCCCCCCOCCCC(=O)N 34a_100000078944_100102525003 [1,1,0,0,0,0|2,0,0]=4 1525 B16R0.274 NCCCCCCCOCCCCCC(=O)N 34a_100011996573_100009817443 [1,1,0,0,0,0|2,0,0]=4 1526 B16R0.274 NCCOCCCCCCCCCCC(=O)N 34a_100000210304_200010167045 [1,1,0,0,0,0|2,0,0]=4 1527 B16R0.274 O=C(O)CNCCCCCCCCCCCO 269956a_100016091260_100009812471 [1,1,0,0,0,0|1,0,0]=3 1528 B16R0.274 O=C(O)COCCNCCCCCCCCO 269956a_100000700818_100000033203 [1,1,0,0,0,0|2,0,0]=4 1529 B16R0.274 O=C(O)CONCCCCCCCCCCO 269956a_100000106656_100009813290 [1,1,0,0,0,0|2,0,0]=4 1530 B16R0.274 O=C([O-])CCCCCOCCCCCCCO 7a_100102619762_100000760002 [1,1,0,0,0,0|1,0,1]=4 1531 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [1,1,0,0,0,0|1,0,1]=4 1532 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [1,1,0,0,0,0|1,0,1]=4 1533 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)C 1458a_100000210558_100011215641 [1,1,0,0,0,0|1,0,1]=4 1534 B16R0.297 CCCCCCCCCC(=O)CCCC(=O)N 1458a_100000210558_100102525003 [1,1,0,0,0,0|1,0,1]=4 1535 B16R0.297 CCCCCCCCCC(C)OCCC(=O)C 7a_100011218016_100000053229 [1,1,0,0,0,0|2,0,0]=4 1536 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 34a_100011218016_100000731001 [1,1,0,0,0,0|2,0,0]=4 1537 B16R0.297 CCCCCCCCCC(C)OCCC(=O)N 7a_100011218016_100000744528 [1,1,0,0,0,0|2,0,0]=4 1538 B16R0.297 CCCCCCCCCN(C)CCCC(=O)C 269982a_100000232482_100011215641 [1,1,0,0,0,0|2,0,0]=4 1539 B16R0.297 CCCCCCCCCN(C)CCCC(=O)N 269982a_100000232482_100102525003 [1,1,0,0,0,0|2,0,0]=4 1540 B16R0.297 CCCCCCCCCN(C)CCCC(=O)O 269956a_100000719178_100000210670 [1,1,0,0,0,0|1,0,0]=3 1541 B16R0.297 CCCCCCCCOC(C)CCCC(=O)[O-] 7a_100000761597_100000210759 [1,1,0,0,0,0|1,0,1]=4 1542 B16R0.297 CN(CCCCCCCCO)CCCC(=O)O 269956a_100000719178_100000033203 [1,1,0,0,0,0|2,0,0]=4 1543 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100000210736_100000187820 [1,1,0,0,0,0|1,0,1]=4 1544 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100011215454 [1,1,0,0,0,0|1,0,1]=4 1545 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [1,1,0,0,0,0|0,0,2]=4 1546 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [1,1,0,0,0,0|2,0,0]=4 1547 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [1,1,0,0,0,0|1,0,0]=3 1548 B16R0.302 CCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100000210670 [1,1,0,0,0,0|1,0,0]=3 1549 B16R0.302 CN(CCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813290 [1,1,0,0,0,0|2,0,0]=4 1550 B16R0.302 O=C(O)CC(O)CNCCCCCCCCO 269956a_100011218706_100000033203 [1,1,0,0,0,0|2,0,0]=4 1551 B16R0.1820 CCCCCCCCC(=O)CCCCC(=O)C 1458a_100000210188_100000735457 [1,1,0,0,0,0|1,0,1]=4 1552 B16R0.1820 CCCCCCCCC(C)COCCC(=O)C 7a_200012125181_100000053229 [1,1,0,0,0,0|2,0,0]=4 1553 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 34a_200012125181_100000731001 [1,1,0,0,0,0|2,0,0]=4 1554 B16R0.1820 CCCCCCCCC(C)COCCC(=O)N 7a_200012125181_100000744528 [1,1,0,0,0,0|2,0,0]=4 1555 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 34a_100000210740_100000685027 [1,1,0,0,0,0|2,0,0]=4 1556 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)C 7a_100000210740_100011215641 [1,1,0,0,0,0|2,0,0]=4 1557 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 34a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 1558 B16R0.1820 CCCCCCCCC(C)OCCCC(=O)N 7a_100000210740_100102525003 [1,1,0,0,0,0|2,0,0]=4 1559 B16R0.1820 CCCCCCCCN(C)CCCCC(=O)C 269982a_100000207567_100000735457 [1,1,0,0,0,0|2,0,0]=4 1560 B16R0.3183 CCCCCCCCCCC(=O)CCC(=O)N 1458a_100011215257_100000210319 [1,1,0,0,0,0|1,0,1]=4 1561 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 34a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 1562 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)N 7a_100011215000_100000187820 [1,1,0,0,0,0|2,0,0]=4 1563 B16R0.3183 CCCCCCCCCCC(C)OCC(=O)[O-] 34a_100011215000_100020667443 [1,1,0,0,0,0|1,0,1]=4 1564 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)C 269982a_100000207566_100000053229 [1,1,0,0,0,0|2,0,0]=4 1565 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 1566 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100000210320 [1,1,0,0,0,0|2,0,0]=4 1567 B16R0.3183 CCCCCCCCCCN(C)CCC(=O)N 269982a_100000207566_100000744528 [1,1,0,0,0,0|2,0,0]=4 1568 B16R0.3288 CC(=O)CCCCNCCCCCCC(C)C 34a_100000211014_100009817362 [1,1,0,0,0,0|2,0,0]=4 1569 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 34a_200000210741_100000685027 [1,1,0,0,0,0|2,0,0]=4 1570 B16R0.3288 CC(=O)CCCOCCCCCCCC(C)C 7a_200000210741_100011215641 [1,1,0,0,0,0|2,0,0]=4 1571 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 34a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 1572 B16R0.3288 CC(C)CCCCCCCOCCCC(=O)N 7a_200000210741_100102525003 [1,1,0,0,0,0|2,0,0]=4 1573 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 2230a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 1574 B16R0.3288 CC(C)CCCCCNCCCCCC(=O)N 34a_100011290863_100009817443 [1,1,0,0,0,0|2,0,0]=4 1575 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 1576 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 34a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 1577 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100000123541_100000210682 [1,1,0,0,0,0|2,0,0]=4 1578 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)N 7a_100011995859_100009817443 [1,1,0,0,0,0|2,0,0]=4 1579 B16R0.3288 CC(C)CCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210682 [1,1,0,0,0,0|1,0,1]=4 1580 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100000210682_100009817443 [1,1,0,0,0,0|2,0,0]=4 1581 B16R0.3288 CC(C)CCCCCSCCCCCC(=O)N 62a_100009817443_100000210682 [1,1,0,0,0,0|2,0,0]=4 1582 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 2230a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 1583 B16R0.3288 CC(C)NCCCCCCCCCCC(=O)N 34a_100138425928_200010167045 [1,1,0,0,0,0|2,0,0]=4 1584 B16R0.3288 CC(C)OCCCCCCCCCCC(=O)N 34a_100000212225_200010167045 [1,1,0,0,0,0|2,0,0]=4 1585 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_100000210206_200010167045 [1,1,0,0,0,0|2,0,0]=4 1586 B16R0.3288 CC(C)SCCCCCCCCCCC(=O)N 62a_200010167045_100000210206 [1,1,0,0,0,0|2,0,0]=4 1587 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100000211351_100000759014 [0,1,0,0,0,1|0,0,2]=4 1588 B18R0.175 CCCCCCCCCCCCC(=O)CC(=O)OC 1458a_100011215791_100000747449 [0,1,0,0,0,1|0,0,2]=4 1589 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215052 [0,1,0,0,0,1|2,0,0]=4 1590 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000227908_100000747449 [0,1,0,0,0,1|2,0,0]=4 1591 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 269982a_100000227908_100000747449 [0,1,0,0,0,1|2,0,0]=4 1592 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 270004a_100000198492_100011218549 [0,1,0,0,0,1|2,0,0]=4 1593 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 2230a_200011215754_100009817358 [0,1,0,0,0,1|2,0,0]=4 1594 B18R0.175 CCCCCCCCCCCNC(C)CC(=O)OC 34a_200011215754_100009817358 [0,1,0,0,0,1|2,0,0]=4 1595 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 34a_100000210809_100009817358 [0,1,0,0,0,1|2,0,0]=4 1596 B18R0.175 CCCCCCCCCCCOC(C)CC(=O)OC 7a_100000210809_100009817358 [0,1,0,0,0,1|2,0,0]=4 1597 B18R0.175 CCCCCCCCCCNC[C@H](O)CC(=O)OC 34a_100000684558_100000754131 [0,1,0,0,0,1|1,0,0]=3 1598 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 34a_100000210711_100000754131 [0,1,0,0,0,1|1,0,0]=3 1599 B18R0.175 CCCCCCCCCCOC[C@H](O)CC(=O)OC 7a_100000210711_100000754131 [0,1,0,0,0,1|1,0,0]=3 1600 B18R0.175 CCCCCCCCCCSC[C@H](O)CC(=O)OC 62a_100000754131_100000210320 [0,1,0,0,0,1|1,0,0]=3 1601 B18R0.175 COC(=O)C[C@@H](O)CNCCCCCCCCCO 34a_100000078944_100000754131 [0,1,0,0,0,1|2,0,0]=4 1602 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 34a_100009813782_100000754131 [0,1,0,0,0,1|2,0,0]=4 1603 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCBr 7a_100009813782_100000754131 [0,1,0,0,0,1|2,0,0]=4 1604 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 34a_100009868337_100000754131 [0,1,0,0,0,1|2,0,0]=4 1605 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCCl 7a_100009868337_100000754131 [0,1,0,0,0,1|2,0,0]=4 1606 B18R0.175 COC(=O)C[C@@H](O)COCCCCCCCCCN 34a_100000078944_100000754131 [0,1,0,0,0,1|2,0,0]=4 1607 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100000754131_100009813782 [0,1,0,0,0,1|2,0,0]=4 1608 B18R0.175 COC(=O)C[C@@H](O)CSCCCCCCCCCO 62a_100009813782_100000754131 [0,1,0,0,0,1|2,0,0]=4 1609 B18R0.220 C=CCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100009814027 [0,1,0,0,0,1|0,0,2]=4 1610 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [0,1,0,0,0,1|2,0,0]=4 1611 B18R0.220 CCCCCCCCCCCNCC(O)CC(=O)O 269956a_100011218706_100011215454 [0,1,0,0,0,1|0,0,0]=2 1612 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [0,1,0,0,0,1|2,0,0]=4 1613 B18R0.220 O=C(O)CC(O)CNCCCCCCCCCCO 269956a_100011218706_100009813290 [0,1,0,0,0,1|1,0,0]=3 1614 B18R0.3151 CCCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000759014 [0,1,0,0,0,1|2,0,0]=4 1615 B18R0.3151 CCCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000759014 [0,1,0,0,0,1|1,0,1]=4 1616 B18R0.3151 CCCCCCCCCCCN[C@H](CC)CC(=O)O 269956a_100016995926_100011215454 [0,1,0,0,0,1|2,0,0]=4 1617 B18R0.3151 CCCCCCCCCCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215454 [0,1,0,0,0,1|1,0,0]=3 1618 B18R0.3151 O=C(O)C[C@@H](CO)NCCCCCCCCCCO 269956a_100009816507_100009813290 [0,1,0,0,0,1|2,0,0]=4 1619 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215454 [0,1,0,0,0,1|2,0,0]=4 1620 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000759014 [0,1,0,0,0,1|2,0,0]=4 1621 B18R0.3048 CCCCCCCCCCCSCC(O)S(=O)(=O)[O-] 62a_200000035551_100011215454 [0,2,0,0,0,0|1,0,1]=4 1622 B18R0.3048 CCCCCCCCCNCCCC(O)S(=O)(=O)[O-] 34a_100000212291_200009997320 [0,2,0,0,0,0|1,0,1]=4 1623 B18R0.3048 CCCCCCCCCOCCCC(O)S(=O)(=O)[O-] 34a_100000210712_200009997320 [0,2,0,0,0,0|1,0,1]=4 1624 B18R0.3048 CCCCCCCCCSCCCC(O)S(=O)(=O)[O-] 62a_200009997320_100000210670 [0,2,0,0,0,0|1,0,1]=4 1625 B18R0.20937 CCCCCCCCC(C)COCC(C)C(=O)OC 34a_200012125181_100000698445 [0,2,0,0,0,0|2,0,0]=4 1626 B18R0.20937 CCCCCCCCC(C)OCCC(C)C(=O)OC 34a_100000210740_100000034942 [0,2,0,0,0,0|2,0,0]=4 1627 B18R0.20937 CCCCCCCCC(C)OCCC(C)C(=O)OC 7a_100000210740_100000034942 [0,2,0,0,0,0|2,0,0]=4 1628 B18R0.19899 CCCCCCC(C)CCOCCC(C)C(=O)OC 34a_200011024964_100000034942 [0,2,0,0,0,0|2,0,0]=4 1629 B18R0.19899 CCCCCCC(C)CCOCCC(C)C(=O)OC 7a_200011024964_100000034942 [0,2,0,0,0,0|2,0,0]=4 1630 B18R0.173 CC(O)C(NCCCCCCCCCCO)C(=O)O 269956a_100000185852_100009813290 [0,2,0,0,0,0|2,0,0]=4 1631 B18R0.173 CCCCCCCCCCCNC(C(=O)O)C(C)O 269956a_100000185852_100011215454 [0,2,0,0,0,0|1,0,0]=3 1632 B18R0.173 CCCCCCCCCCCN[C@@H](C(=O)O)C(C)C 269956a_100000745019_100011215454 [0,2,0,0,0,0|2,0,0]=4 1633 B18R0.173 CCCCCCCCCCCN[C@H](C(=O)N)[C@@H](C)O 2230a_100000003557_100011215454 [0,2,0,0,0,0|2,0,0]=4 1634 B18R0.3149 CCCCCCCCCCCCC(NC)C(=O)OC 2230a_106832991635_100000036989 [0,2,0,0,0,0|1,0,0]=3 1635 B18R0.3149 CCCCCCCCCCCCC(NC)C(=O)OC 34a_100102657272_100000036989 [0,2,0,0,0,0|1,0,0]=3 1636 B18R0.3149 CCCCCCCCCCCCC(NC)C(=O)OC 7a_106832991635_100000036989 [0,2,0,0,0,0|1,0,0]=3 1637 B18R0.3149 CCCCCCCCCCCCC(OC)C(=O)OC 34a_100138415774_100000036989 [0,2,0,0,0,0|0,0,0]=2 1638 B18R0.3149 CCCCCCCCCCCNC(C=O)C(=O)OC 34a_200011215754_100000046368 [0,2,0,0,0,0|1,0,1]=4 1639 B18R0.3149 CCCCCCCCCCCNC(CC)C(=O)OC 2230a_200011215754_100000235869 [0,2,0,0,0,0|2,0,0]=4 1640 B18R0.3149 CCCCCCCCCCCNC(CC)C(=O)OC 34a_200011215754_100000235869 [0,2,0,0,0,0|2,0,0]=4 1641 B18R0.3149 CCCCCCCCCCCNC(CO)C(=O)OC 34a_200011215754_100012276630 [0,2,0,0,0,0|1,0,0]=3 1642 B18R0.3149 CCCCCCCCCCCNC(OC)C(=O)OC 34a_200011215754_100000101307 [0,2,0,0,0,0|1,0,0]=3 1643 B18R0.3149 CCCCCCCCCCCOC(C=O)C(=O)OC 34a_100000210809_100000046368 [0,2,0,0,0,0|1,0,1]=4 1644 B18R0.3149 CCCCCCCCCCCOC(CC)C(=O)OC 34a_100000210809_100000235869 [0,2,0,0,0,0|2,0,0]=4 1645 B18R0.3149 CCCCCCCCCCCOC(CC)C(=O)OC 34a_100000695916_100011215454 [0,2,0,0,0,0|2,0,0]=4 1646 B18R0.3149 CCCCCCCCCCCOC(CC)C(=O)OC 7a_100000210809_100000742303 [0,2,0,0,0,0|2,0,0]=4 1647 B18R0.3149 CCCCCCCCCCCOC(CC)C(=O)OC 7a_100000695916_100011215454 [0,2,0,0,0,0|2,0,0]=4 1648 B18R0.3149 CCCCCCCCCCCOC(CN)C(=O)OC 34a_100000695228_100011215454 [0,2,0,0,0,0|2,0,0]=4 1649 B18R0.3149 CCCCCCCCCCCOC(CO)C(=O)OC 34a_100000210809_100012276630 [0,2,0,0,0,0|1,0,0]=3 1650 B18R0.3149 CCCCCCCCCCCOC(OC)C(=O)OC 34a_100000036821_100011215454 [0,2,0,0,0,0|1,0,0]=3 1651 B18R0.3149 CCCCCCCCCCCOC(OC)C(=O)OC 34a_100000210809_100000101307 [0,2,0,0,0,0|1,0,0]=3 1652 B18R0.3149 CCCCCCCCCCCSC(C=O)C(=O)OC 62a_100000046368_100011215454 [0,2,0,0,0,0|1,0,1]=4 1653 B18R0.3149 CCCCCCCCCCCSC(CO)C(=O)OC 62a_100012276630_100011215454 [0,2,0,0,0,0|1,0,0]=3 1654 B18R0.3149 CCCCCCCCCCCSC(OC)C(=O)OC 62a_100000101307_100011215454 [0,2,0,0,0,0|1,0,0]=3 1655 B18R0.3149 COC(=O)C(CO)NCCCCCCCCCCO 34a_100000066964_100012276630 [0,2,0,0,0,0|2,0,0]=4 1656 B18R0.3149 COC(=O)C(CO)OCCCCCCCCCCBr 34a_100009813290_100012276630 [0,2,0,0,0,0|2,0,0]=4 1657 B18R0.3149 COC(=O)C(CO)OCCCCCCCCCCCl 34a_200000033068_100012276630 [0,2,0,0,0,0|2,0,0]=4 1658 B18R0.3149 COC(=O)C(CO)OCCCCCCCCCCN 34a_100000066964_100012276630 [0,2,0,0,0,0|2,0,0]=4 1659 B18R0.3149 COC(=O)C(CO)SCCCCCCCCCCO 62a_100009813290_100012276630 [0,2,0,0,0,0|2,0,0]=4 1660 B18R0.3149 COC(=O)C(CO)SCCCCCCCCCCO 62a_100012276630_200000033068 [0,2,0,0,0,0|2,0,0]=4 1661 B18R0.3149 COC(=O)C(NCCCCCCCCCCO)OC 34a_100000066964_100000101307 [0,2,0,0,0,0|2,0,0]=4 1662 B18R0.3149 COC(=O)C(OC)OCCCCCCCCCCBr 34a_100009813290_100000101307 [0,2,0,0,0,0|2,0,0]=4 1663 B18R0.3149 COC(=O)C(OC)OCCCCCCCCCCCl 34a_200000033068_100000101307 [0,2,0,0,0,0|2,0,0]=4 1664 B18R0.3149 COC(=O)C(OC)OCCCCCCCCCCN 34a_100000066964_100000101307 [0,2,0,0,0,0|2,0,0]=4 1665 B18R0.3149 COC(=O)C(OC)OCCCCCCCCCCO 34a_100000036821_100009813290 [0,2,0,0,0,0|2,0,0]=4 1666 B18R0.3149 COC(=O)C(OC)SCCCCCCCCCCO 62a_100000101307_200000033068 [0,2,0,0,0,0|2,0,0]=4 1667 B18R0.3149 COC(=O)C(OC)SCCCCCCCCCCO 62a_100009813290_100000101307 [0,2,0,0,0,0|2,0,0]=4 1668 B18R0.3150 C=CCCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100011093070 [0,2,0,0,0,0|0,0,2]=4 1669 B18R0.3150 C=C[C@H](NCCCCCCCCCCCC)C(=O)O 269956a_100016992060_100000759014 [0,2,0,0,0,0|1,0,0]=3 1670 B18R0.3150 C=C[C@H](NCCCCCCCCCCCO)C(=O)O 269956a_100016992060_100009812471 [0,2,0,0,0,0|2,0,0]=4 1671 B18R0.3150 CCCCC#CCCCCCCNC(CO)C(=O)O 269956a_100000187304_200000043322 [0,2,0,0,0,0|0,0,2]=4 1672 B18R0.3150 CCCCCCCCCCCCNC(C#N)C(=O)N 2230a_100000039599_100011215052 [0,2,0,0,0,0|2,0,0]=4 1673 B18R0.3150 CCCCCCCCCCCCNC(C#N)C(=O)N 270004a_100000039599_100011218549 [0,2,0,0,0,0|2,0,0]=4 1674 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 2230a_100000210451_100000750255 [0,2,0,0,0,0|2,0,0]=4 1675 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 2230a_100000733705_100011215052 [0,2,0,0,0,0|2,0,0]=4 1676 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 34a_100000210451_100000750255 [0,2,0,0,0,0|2,0,0]=4 1677 B18R0.3150 CCCCCCCCCCCCNC(CC)C(=O)N 34a_100000733705_100000759014 [0,2,0,0,0,0|2,0,0]=4 1678 B18R0.3150 CCCCCCCCCCCCNC(CO)C(=O)O 269956a_100000187304_100000759014 [0,2,0,0,0,0|0,0,0]=2 1679 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 2230a_100000729942_100011215052 [0,2,0,0,0,0|1,0,0]=3 1680 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 270004a_100000729942_100011218549 [0,2,0,0,0,0|1,0,0]=3 1681 B18R0.3150 CCCCCCCCCCCCN[C@@H](CO)C(=O)N 34a_100000729942_100000759014 [0,2,0,0,0,0|1,0,0]=3 1682 B18R0.3150 CCCCCCCCCCCCN[C@H](CC)C(=O)O 269956a_100000747097_100000759014 [0,2,0,0,0,0|1,0,0]=3 1683 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 2230a_100015196842_100011215052 [0,2,0,0,0,0|1,0,1]=4 1684 B18R0.3150 CCCCCCCCCCCCN[C@H](CO)[C@@H](C)O 34a_100015196842_100000759014 [0,2,0,0,0,0|1,0,1]=4 1685 B18R0.3150 CCCCCCCCCCCCOC(CC)C(=O)N 34a_100000210810_100000750255 [0,2,0,0,0,0|2,0,0]=4 1686 B18R0.3150 CCCCCCCCCCCCOC(CC)C(=O)N 7a_100000210810_100000750255 [0,2,0,0,0,0|2,0,0]=4 1687 B18R0.3150 CCCCCCCCCCCCSC(CC)C(=O)N 62a_100000750255_100000759014 [0,2,0,0,0,0|2,0,0]=4 1688 B18R0.3150 CC[C@@H](NCCCCCCCCCCCO)C(=O)O 269956a_100000747097_100009812471 [0,2,0,0,0,0|2,0,0]=4 1689 B18R0.3150 NC(=O)[C@H](CO)NCCCCCCCCCCCO 2230a_100000729942_100009812471 [0,2,0,0,0,0|2,0,0]=4 1690 B18R0.3150 NC(=O)[C@H](CO)NCCCCCCCCCCCO 34a_100000729942_100009812471 [0,2,0,0,0,0|2,0,0]=4 1691 B18R0.3150 O=C(O)C(CO)NCCCCCCCCCCCO 269956a_100000187304_100009812471 [0,2,0,0,0,0|1,0,0]=3 1692 B18R0.3152 CCCCCCCCCCCN[C@@H](CCC)C(=O)O 269956a_100000750406_100011215454 [0,2,0,0,0,0|2,0,0]=4 1693 B18R0.3152 CCCCCCCCCCCN[C@@H](CSC)C(=O)O 269956a_100011421858_100011215454 [0,2,0,0,0,0|1,1,0]=4 1694 B18R0.3152 CCCCCCCCCCCN[C@@H](C[Se]C)C(=O)O 269956a_100015254316_100011215454 [0,2,0,0,0,0|1,1,0]=4 1695 B18R0.3152 CCCCCCCCCCCN[C@H](COC)C(=O)O 269956a_100011998655_100011215454 [0,2,0,0,0,0|1,0,0]=3 1696 B18R0.3152 COC[C@@H](NCCCCCCCCCCO)C(=O)O 269956a_100011998655_100009813290 [0,2,0,0,0,0|2,0,0]=4 1697 B18R0.11194 CCCCCCCCCCCN(C)[C@@H](CO)C(=O)O 269956a_100015362447_100011215454 [0,2,0,0,0,0|1,0,0]=3 1698 B18R0.11194 CN(CCCCCCCCCCO)[C@@H](CO)C(=O)O 269956a_100015362447_100009813290 [0,2,0,0,0,0|2,0,0]=4 1699 B18R0.13767 CCCCCCCCCCCNC(C)(CC)C(=O)O 269956a_100025756313_100011215454 [0,2,0,0,0,0|2,0,0]=4 1700 B18R0.19204 CCCCCCCCCCC(C)N[C@@H](CO)C(=O)N 270004a_100000729942_200011219864 [0,2,0,0,0,0|2,0,0]=4 1701 B18R0.20459 CCCCCCCCCC(C)CN[C@@H](CO)C(=O)N 270004a_100000729942_200011218516 [0,2,0,0,0,0|2,0,0]=4 1702 B18R0.11196 CCCCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100000210736_100000211248 [0,2,0,0,0,0|1,0,1]=4 1703 B18R0.11196 CCCCCCCCCCCC(=O)C(C)C(=O)OC 1458a_100012027023_100011215454 [0,2,0,0,0,0|1,0,1]=4 1704 B18R0.11196 CCCCCCCCCCCN(C)C(C)C(=O)OC 2230a_100000725243_100011215454 [0,2,0,0,0,0|2,0,0]=4 1705 B18R0.11196 CCCCCCCCCCCN(C)C(C)C(=O)OC 269982a_100000725243_100011215454 [0,2,0,0,0,0|2,0,0]=4 1706 B18R0.11196 CCCCCCCCCCO[C@H](C)[C@H](N)C(=O)OC 34a_100000004424_100000210320 [0,2,0,0,0,0|2,0,0]=4 1707 B18R0.19881 COC(=O)C(C)CCOCCCCCCCC(C)C 34a_200000210741_100000034942 [0,2,0,0,0,0|2,0,0]=4 1708 B18R0.19881 COC(=O)C(C)CCOCCCCCCCC(C)C 7a_200000210741_100000034942 [0,2,0,0,0,0|2,0,0]=4 1709 B18R0.19822 CCCCCCCCCC(=O)CCC(C)C(=O)OC 1458a_100000210558_100000034942 [0,2,0,0,0,0|1,0,1]=4 1710 B18R0.19822 CCCCCCCCCC(=O)NCC(O)C(=O)OC 188690a_100000695228_100000210558 [0,2,0,0,0,0|1,0,1]=4 1711 B18R0.19822 CCCCCCCCCC(C)OCC(C)C(=O)OC 34a_100011218016_100000698445 [0,2,0,0,0,0|2,0,0]=4 1712 B18R0.19822 CCCCCCCCCN(C)CCC(C)C(=O)OC 2230a_100000232482_100000034942 [0,2,0,0,0,0|2,0,0]=4 1713 B18R0.19822 CCCCCCCCCN(C)CCC(C)C(=O)OC 269982a_100000232482_100000034942 [0,2,0,0,0,0|2,0,0]=4 1714 B18R0.177 CCCCCCCCCCCCC(C)C(=O)CCO 1458a_100011216618_200011217028 [0,2,0,0,0,0|1,0,0]=3 1715 B18R0.177 CCCCCCCCCCCCN(C)C(=O)CCO 240690a_100000227908_100011216618 [0,2,0,0,0,0|2,0,0]=4 1716 B18R0.177 CCCCCCCCCCCCN(C)C(=O)COC 11a_100000227908_100000210968 [0,2,0,0,0,0|2,0,0]=4 1717 B18R0.177 CCCCCCCCCCCCN(C)C(=O)COC 1626a_100000227908_100000210968 [0,2,0,0,0,0|2,0,0]=4 1718 B18R0.177 CCCCCCCCCCCCN(C)C(=O)COC 240690a_100000227908_100000210968 [0,2,0,0,0,0|2,0,0]=4 1719 B18R0.177 CCCCCCCCCCCCN(C)C(=O)COC 527a_100000227908_100000210968 [0,2,0,0,0,0|2,0,0]=4 1720 B18R0.177 CCCCCCCCCCCNC(C)C(=O)OCC 2230a_200011215754_100011215307 [0,2,0,0,0,0|2,0,0]=4 1721 B18R0.177 CCCCCCCCCCCNC(C)C(=O)OCC 34a_200011215754_100011216346 [0,2,0,0,0,0|2,0,0]=4 1722 B18R0.177 CCCCCCCCCCCNC(F)C(=O)OCC 2230a_200011215754_100000760018 [0,2,0,0,0,0|2,0,0]=4 1723 B18R0.177 CCCCCCCCCCCNC(F)C(=O)OCC 34a_200011215754_100000760018 [0,2,0,0,0,0|2,0,0]=4 1724 B18R0.177 CCCCCCCCCCCOC(C)C(=O)OCC 34a_100000210809_100011216346 [0,2,0,0,0,0|2,0,0]=4 1725 B18R0.177 CCCCCCCCCCCOC(C)C(=O)OCC 7a_100000210809_100011216346 [0,2,0,0,0,0|2,0,0]=4 1726 B18R0.177 CCCCCCCCCCCOC(F)C(=O)OCC 34a_100000210809_100000760018 [0,2,0,0,0,0|2,0,0]=4 1727 B18R0.177 CCCCCCCCCCCOC(F)C(=O)OCC 7a_100000210809_100000040065 [0,2,0,0,0,0|2,0,0]=4 1728 B18R0.177 CCCCCCCCCCCO[C@@H](C)C(=O)OCC 7a_100000751109_100011215454 [0,2,0,0,0,0|2,0,0]=4 1729 B18R0.189 C=C(CNCCCCCCCCCCC)C(=O)OC 34a_200011215754_100009813391 [0,2,0,0,0,0|1,0,1]=4 1730 B18R0.189 C=C(COCCCCCCCCCCC)C(=O)OC 34a_100000210809_100009813391 [0,2,0,0,0,0|1,0,1]=4 1731 B18R0.189 C=C(CSCCCCCCCCCCC)C(=O)OC 62a_100009813391_100011215454 [0,2,0,0,0,0|1,0,1]=4 1732 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 11a_100000210451_100000024059 [0,2,0,0,0,0|0,0,2]=4 1733 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 1626a_100000210451_100000024059 [0,2,0,0,0,0|0,0,2]=4 1734 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 240690a_100000210451_100000024059 [0,2,0,0,0,0|0,0,2]=4 1735 B18R0.189 CCCCCCCCCCCCNC(=O)C(=O)OC 527a_100000210451_100000024059 [0,2,0,0,0,0|0,0,2]=4 1736 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)CC 2230a_100000210451_100000742827 [0,2,0,0,0,0|2,0,0]=4 1737 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)NC 2230a_100000210451_100000731044 [0,2,0,0,0,0|2,0,0]=4 1738 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)NC 34a_100000210451_100000731044 [0,2,0,0,0,0|2,0,0]=4 1739 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)OC 2230a_100000210451_100000211248 [0,2,0,0,0,0|1,0,0]=3 1740 B18R0.189 CCCCCCCCCCCCNC(C)C(=O)OC 34a_100000210451_100000211248 [0,2,0,0,0,0|1,0,0]=3 1741 B18R0.189 CCCCCCCCCCCCNC(F)C(=O)NC 2230a_100000210451_100009813575 [0,2,0,0,0,0|2,0,0]=4 1742 B18R0.189 CCCCCCCCCCCCNC(F)C(=O)NC 34a_100000210451_100009813575 [0,2,0,0,0,0|2,0,0]=4 1743 B18R0.189 CCCCCCCCCCCCN[C@H](C)C(=O)NC 2230a_100000684985_100011215052 [0,2,0,0,0,0|2,0,0]=4 1744 B18R0.189 CCCCCCCCCCCCN[C@H](C)C(=O)NC 34a_100000684985_100000759014 [0,2,0,0,0,0|2,0,0]=4 1745 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NC 34a_100000210810_100000731044 [0,2,0,0,0,0|2,0,0]=4 1746 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NC 7a_100000210810_100000209862 [0,2,0,0,0,0|2,0,0]=4 1747 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)NN 34a_100000725659_100000759014 [0,2,0,0,0,0|2,0,0]=4 1748 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 34a_100000210810_100000211248 [0,2,0,0,0,0|1,0,0]=3 1749 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 34a_100011215400_100000759014 [0,2,0,0,0,0|1,0,0]=3 1750 B18R0.189 CCCCCCCCCCCCOC(C)C(=O)OC 7a_100000210810_100000211248 [0,2,0,0,0,0|1,0,0]=3 1751 B18R0.189 CCCCCCCCCCCCOC(F)C(=O)NC 34a_100000210810_100009813575 [0,2,0,0,0,0|2,0,0]=4 1752 B18R0.189 CCCCCCCCCCCCOC(F)C(=O)NC 7a_100000210810_100009813575 [0,2,0,0,0,0|2,0,0]=4 1753 B18R0.189 CCCCCCCCCCCCSC(C)C(=O)NC 62a_100000209862_100000759014 [0,2,0,0,0,0|2,0,0]=4 1754 B18R0.189 CCCCCCCCCCCCSC(F)C(=O)NC 62a_100009813575_100000759014 [0,2,0,0,0,0|2,0,0]=4 1755 B18R0.189 CCCCCCCCCCCNCC(=O)C(=O)OC 34a_200011215754_100011610305 [0,2,0,0,0,0|0,0,2]=4 1756 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)NC 2230a_100015187722_100011215454 [0,2,0,0,0,0|2,0,0]=4 1757 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)NC 34a_100015187722_100011215454 [0,2,0,0,0,0|2,0,0]=4 1758 B18R0.189 CCCCCCCCCCCNCC(C)C(=O)OC 34a_200011215754_100000698445 [0,2,0,0,0,0|1,0,0]=3 1759 B18R0.189 CCCCCCCCCCCOCC(=O)C(=O)OC 34a_100000210809_100011610305 [0,2,0,0,0,0|0,0,2]=4 1760 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 34a_100000210809_100000698445 [0,2,0,0,0,0|1,0,0]=3 1761 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 34a_100000749362_100011215454 [0,2,0,0,0,0|1,0,0]=3 1762 B18R0.189 CCCCCCCCCCCOCC(C)C(=O)OC 7a_100000749362_100011215454 [0,2,0,0,0,0|1,0,0]=3 1763 B18R0.189 CCCCCCCCCCCOCC(F)C(=O)OC 34a_200009849844_100011215454 [0,2,0,0,0,0|1,0,0]=3 1764 B18R0.189 CCCCCCCCCCCOCC(N)C(=O)NN 34a_100016989258_100011215454 [0,2,0,0,0,0|2,0,0]=4 1765 B18R0.189 CCCCCCCCCCCOC[C@@H](N)C(=O)OC 34a_100000003586_100011215454 [0,2,0,0,0,0|1,0,0]=3 1766 B18R0.189 CCCCCCCCCCCSCC(=O)C(=O)OC 62a_100011610305_100011215454 [0,2,0,0,0,0|0,0,2]=4 1767 B18R0.189 CCCCCCCCCCNCCC(C)C(=O)OC 2230a_100000684558_100000034942 [0,2,0,0,0,0|1,0,0]=3 1768 B18R0.189 CCCCCCCCCCNCCC(C)C(=O)OC 34a_100000684558_100000034942 [0,2,0,0,0,0|1,0,0]=3 1769 B18R0.189 CCCCCCCCCCOCCC(C)C(=O)OC 34a_100000210711_100000034942 [0,2,0,0,0,0|1,0,0]=3 1770 B18R0.189 CCCCCCCCCCOCCC(C)C(=O)OC 7a_100000210711_100000034942 [0,2,0,0,0,0|1,0,0]=3 1771 B18R0.189 CCOCCCCCCCCCOC(C)C(=O)OC 34a_100009875440_100000211248 [0,2,0,0,0,0|2,0,0]=4 1772 B18R0.189 CCOCCCCCCCCCOC(C)C(=O)OC 7a_100009875440_100000211248 [0,2,0,0,0,0|2,0,0]=4 1773 B18R0.189 COC(=O)C(C)CCNCCCCCCCCCO 2230a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 1774 B18R0.189 COC(=O)C(C)CCNCCCCCCCCCO 34a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 1775 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCBr 34a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 1776 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCBr 7a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 1777 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCCl 34a_100009868337_100000034942 [0,2,0,0,0,0|2,0,0]=4 1778 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCCl 7a_100009868337_100000034942 [0,2,0,0,0,0|2,0,0]=4 1779 B18R0.189 COC(=O)C(C)CCOCCCCCCCCCN 34a_100000078944_100000034942 [0,2,0,0,0,0|2,0,0]=4 1780 B18R0.189 COC(=O)C(C)CCSCCCCCCCCCO 62a_100000034942_100009813782 [0,2,0,0,0,0|2,0,0]=4 1781 B18R0.189 COC(=O)C(C)CCSCCCCCCCCCO 62a_100009813782_100000034942 [0,2,0,0,0,0|2,0,0]=4 1782 B18R0.189 COC(=O)C(C)CNCCCCCCCCCCO 34a_100000066964_100000698445 [0,2,0,0,0,0|2,0,0]=4 1783 B18R0.189 COC(=O)C(C)COCCCCCCCCCCBr 34a_100009813290_100000698445 [0,2,0,0,0,0|2,0,0]=4 1784 B18R0.189 COC(=O)C(C)COCCCCCCCCCCCl 34a_200000033068_100000698445 [0,2,0,0,0,0|2,0,0]=4 1785 B18R0.189 COC(=O)C(C)COCCCCCCCCCCN 34a_100000066964_100000698445 [0,2,0,0,0,0|2,0,0]=4 1786 B18R0.189 COC(=O)C(C)COCCCCCCCCCCO 34a_100000749362_100009813290 [0,2,0,0,0,0|2,0,0]=4 1787 B18R0.189 COC(=O)C(C)COCCCCCCCCCCO 7a_100000749362_100009813290 [0,2,0,0,0,0|2,0,0]=4 1788 B18R0.189 COC(=O)C(C)CSCCCCCCCCCCO 62a_100000698445_200000033068 [0,2,0,0,0,0|2,0,0]=4 1789 B18R0.189 COC(=O)C(C)CSCCCCCCCCCCO 62a_100009813290_100000698445 [0,2,0,0,0,0|2,0,0]=4 1790 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCBr 34a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 1791 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCBr 7a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 1792 B18R0.189 COC(=O)C(C)OCCCCCCCCCCCO 34a_100011215400_100009812471 [0,2,0,0,0,0|2,0,0]=4 1793 B18R0.189 COC(=O)C(C)SCCCCCCCCCCCO 62a_100009812471_100000211248 [0,2,0,0,0,0|2,0,0]=4 1794 B18R0.189 COC(=O)C(F)COCCCCCCCCCCO 34a_200009849844_100009813290 [0,2,0,0,0,0|2,0,0]=4 1795 B18R0.189 COC(=O)[C@H](N)COCCCCCCCCCCO 34a_100000003586_100009813290 [0,2,0,0,0,0|2,0,0]=4 1796 B18R0.6757 CCCCC(C)CCCCOCCC(C)C(=O)OC 34a_200011021034_100000034942 [0,2,0,0,0,0|2,0,0]=4 1797 B18R0.6757 CCCCC(C)CCCCOCCC(C)C(=O)OC 7a_200011021034_100000034942 [0,2,0,0,0,0|2,0,0]=4 1798 B18R0.13763 CCCCCCCCCCCNC(C)(C)C(=O)OC 2230a_200011215754_100000689032 [0,2,0,0,0,0|2,0,0]=4 1799 B18R0.13763 CCCCCCCCCCCNC(C)(F)C(=O)OC 2230a_200011215754_200009867631 [0,2,0,0,0,0|2,0,0]=4 1800 B18R0.13763 CCCCCCCCCCCNC(C)(F)C(=O)OC 34a_200011215754_200009867631 [0,2,0,0,0,0|2,0,0]=4 1801 B18R0.13763 CCCCCCCCCCCNC(F)(F)C(=O)OC 34a_200011215754_100000211177 [0,2,0,0,0,0|2,0,0]=4 1802 B18R0.13763 CCCCCCCCCCCOC(C)(C)C(=O)OC 34a_100011217581_100011215454 [0,2,0,0,0,0|2,0,0]=4 1803 B18R0.13763 CCCCCCCCCCCOC(C)(C)C(=O)OC 7a_100011217581_100011215454 [0,2,0,0,0,0|2,0,0]=4 1804 B18R0.13763 CCCCCCCCCCCOC(C)(F)C(=O)OC 34a_100000210809_200009867631 [0,2,0,0,0,0|2,0,0]=4 1805 B18R0.13763 CCCCCCCCCCCOC(F)(F)C(=O)OC 34a_100000210809_100000211177 [0,2,0,0,0,0|2,0,0]=4 1806 B18R0.13763 CCCCCCCCCCCOC(F)(F)C(=O)OC 7a_100000210809_100000211177 [0,2,0,0,0,0|2,0,0]=4 1807 B18R0.13763 CCCCCCCCCCNCC(F)(F)C(=O)OC 34a_100000684558_100010295740 [0,2,0,0,0,0|2,0,0]=4 1808 B18R0.13763 CCCCCCCCCCOCC(C)(C)C(=O)OC 34a_100000709632_100000210320 [0,2,0,0,0,0|2,0,0]=4 1809 B18R0.13763 CCCCCCCCCCOCC(C)(C)C(=O)OC 7a_100000709632_100000210320 [0,2,0,0,0,0|2,0,0]=4 1810 B18R0.13763 CCCCCCCCCCOCC(F)(F)C(=O)OC 34a_100000210711_100010295740 [0,2,0,0,0,0|2,0,0]=4 1811 B18R0.13763 CCCCCCCCCCSCC(F)(F)C(=O)OC 62a_100010295740_100000210320 [0,2,0,0,0,0|2,0,0]=4 1812 B18R0.13763 CCCCCCCCNCCCC(C)(C)C(=O)OC 2230a_100000229939_100010114820 [0,2,0,0,0,0|2,0,0]=4 1813 B18R0.13763 CCCCCCCCNCCCC(C)(C)C(=O)OC 34a_100000229939_100010114820 [0,2,0,0,0,0|2,0,0]=4 1814 B18R0.13763 CCCCCCCCOCCCC(C)(C)C(=O)OC 34a_100000210232_100010114820 [0,2,0,0,0,0|2,0,0]=4 1815 B18R0.13763 CCCCCCCCOCCCC(C)(C)C(=O)OC 7a_100000210232_100010114820 [0,2,0,0,0,0|2,0,0]=4 1816 B18R0.17443 CCCCCCCCCCC(C)OC(C)C(=O)OC 34a_100011215000_100000211248 [0,2,0,0,0,0|2,0,0]=4 1817 B18R0.17443 CCCCCCCCCCC(C)OC(C)C(=O)OC 7a_100011215000_100000211248 [0,2,0,0,0,0|2,0,0]=4 1818 B18R0.17443 CCCCCCCCCCN(C)CC(C)C(=O)OC 269982a_100000207566_100000698445 [0,2,0,0,0,0|2,0,0]=4 1819 B18R0.19914 CC(C)(CNCCCCCCCCCCO)C(=O)O 269956a_100000693527_100009813290 [0,2,0,0,0,0|2,0,0]=4 1820 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000210451_100000702505 [0,2,0,0,0,0|2,0,0]=4 1821 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215052 [0,2,0,0,0,0|2,0,0]=4 1822 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000210451_100000702505 [0,2,0,0,0,0|2,0,0]=4 1823 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000759014 [0,2,0,0,0,0|2,0,0]=4 1824 B18R0.19914 CCCCCCCCCCCCNC(F)(F)C(=O)[O-] 34a_100000210451_100020612412 [0,2,0,0,0,0|1,0,1]=4 1825 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210810_100000702505 [0,2,0,0,0,0|2,0,0]=4 1826 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000759014 [0,2,0,0,0,0|2,0,0]=4 1827 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210810_100000702505 [0,2,0,0,0,0|2,0,0]=4 1828 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000759014 [0,2,0,0,0,0|2,0,0]=4 1829 B18R0.19914 CCCCCCCCCCCCOC(F)(F)C(=O)N 7a_100000210810_100009811971 [0,2,0,0,0,0|2,0,0]=4 1830 B18R0.19914 CCCCCCCCCCCCOC(F)(F)C(=O)[O-] 34a_100000210810_100020612412 [0,2,0,0,0,0|1,0,1]=4 1831 B18R0.19914 CCCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000759014 [0,2,0,0,0,0|2,0,0]=4 1832 B18R0.19914 CCCCCCCCCCCCSC(F)(F)C(=O)N 62a_100009811971_100000759014 [0,2,0,0,0,0|2,0,0]=4 1833 B18R0.19914 CCCCCCCCCCCCSC(F)(F)C(=O)[O-] 62a_100000745680_100000759014 [0,2,0,0,0,0|1,0,1]=4 1834 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100011215454 [0,2,0,0,0,0|2,0,0]=4 1835 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100011215454 [0,2,0,0,0,0|2,0,0]=4 1836 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_200011215754_200009895572 [0,2,0,0,0,0|2,0,0]=4 1837 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215454 [0,2,0,0,0,0|1,0,0]=3 1838 B18R0.19914 CCCCCCCCCCCNCC(F)(F)C(=O)O 269956a_100000734215_100011215454 [0,2,0,0,0,0|1,0,0]=3 1839 B18R0.19914 CCCCCCCCCCCNOC(C)(C)C(=O)O 269956a_100016989451_100011215454 [0,2,0,0,0,0|2,0,0]=4 1840 B18R0.19914 CCCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210809_200009895572 [0,2,0,0,0,0|2,0,0]=4 1841 B18R0.19914 CCCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100011215454 [0,2,0,0,0,0|2,0,0]=4 1842 B18R0.19914 O=C(O)C(F)(F)CNCCCCCCCCCCO 269956a_100000734215_100009813290 [0,2,0,0,0,0|2,0,0]=4 1843 B18R0.186 CCCCCCCCCCCC(C)N[C@H](C)C(=O)N 270004a_100000119354_100011216755 [0,2,0,0,0,0|2,0,0]=4 1844 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 34a_100011217895_100000702099 [0,2,0,0,0,0|2,0,0]=4 1845 B18R0.186 CCCCCCCCCCCC(C)OC(C)C(=O)N 7a_100011217895_100000702099 [0,2,0,0,0,0|2,0,0]=4 1846 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 34a_100011217895_100009813875 [0,2,0,0,0,0|2,0,0]=4 1847 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)N 7a_100011217895_100009813875 [0,2,0,0,0,0|2,0,0]=4 1848 B18R0.186 CCCCCCCCCCCC(C)OC(F)C(=O)[O-] 34a_100011217895_100020610796 [0,2,0,0,0,0|1,0,1]=4 1849 B18R0.174 C=CCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_102130925996 [0,2,0,0,0,0|1,0,1]=4 1850 B18R0.174 C=CCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100011093070 [0,2,0,0,0,0|1,0,1]=4 1851 B18R0.174 C=CCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100011093070 [0,2,0,0,0,0|1,0,1]=4 1852 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 34a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 1853 B18R0.174 CC(=O)C(C)COCCCCCCCCCCCO 7a_100000032740_100009812471 [0,2,0,0,0,0|2,0,0]=4 1854 B18R0.174 CC(=O)C(C)NCCCCCCCCCCCCO 2230a_100000066677_100009814033 [0,2,0,0,0,0|2,0,0]=4 1855 B18R0.174 CC(=O)C(C)OCCCCCCCCCCCCO 34a_100000212229_100009813331 [0,2,0,0,0,0|2,0,0]=4 1856 B18R0.174 CC(=O)C(C)SCCCCCCCCCCCCO 62a_100009813331_100009814033 [0,2,0,0,0,0|2,0,0]=4 1857 B18R0.174 CC(CNCCCCCCCCCCCO)C(=O)O 269956a_100000749485_100009812471 [0,2,0,0,0,0|1,0,0]=3 1858 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 2230a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 1859 B18R0.174 CC(NCCCCCCCCCCCCO)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 1860 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 34a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 1861 B18R0.174 CC(OCCCCCCCCCCCCBr)C(=O)N 7a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 1862 B18R0.174 CC(OCCCCCCCCCCCCN)C(=O)N 34a_100000066677_100000702099 [0,2,0,0,0,0|2,0,0]=4 1863 B18R0.174 CC(SCCCCCCCCCCCCO)C(=O)N 62a_100009813331_100000702099 [0,2,0,0,0,0|2,0,0]=4 1864 B18R0.174 CCCCC#CCCCCCCNCC(C)C(=O)O 269956a_100000749485_200000043322 [0,2,0,0,0,0|1,0,1]=4 1865 B18R0.174 CCCCC#CCCCCCCNCC(F)C(=O)O 269956a_100000084737_200000043322 [0,2,0,0,0,0|1,0,1]=4 1866 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)C 2230a_100011215765_100009814033 [0,2,0,0,0,0|2,0,0]=4 1867 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 2230a_100011215765_100000702099 [0,2,0,0,0,0|2,0,0]=4 1868 B18R0.174 CCCCCCCCCCCCCNC(C)C(=O)N 34a_100011215765_100000702099 [0,2,0,0,0,0|2,0,0]=4 1869 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 2230a_100011215765_100009813875 [0,2,0,0,0,0|2,0,0]=4 1870 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)N 34a_100011215765_100009813875 [0,2,0,0,0,0|2,0,0]=4 1871 B18R0.174 CCCCCCCCCCCCCNC(F)C(=O)[O-] 34a_100011215765_100020610796 [0,2,0,0,0,0|1,0,1]=4 1872 B18R0.174 CCCCCCCCCCCCCN[C@@H](C)C(=O)O 269956a_100000743915_100000210684 [0,2,0,0,0,0|1,0,0]=3 1873 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 2230a_100000119354_100000210684 [0,2,0,0,0,0|2,0,0]=4 1874 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 270004a_100000119354_200011215488 [0,2,0,0,0,0|2,0,0]=4 1875 B18R0.174 CCCCCCCCCCCCCN[C@H](C)C(=O)N 34a_100000119354_100000210684 [0,2,0,0,0,0|2,0,0]=4 1876 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 34a_100000185773_100000702099 [0,2,0,0,0,0|2,0,0]=4 1877 B18R0.174 CCCCCCCCCCCCCOC(C)C(=O)N 7a_100000185773_100000702099 [0,2,0,0,0,0|2,0,0]=4 1878 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 34a_100000185773_100009813875 [0,2,0,0,0,0|2,0,0]=4 1879 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)N 7a_100000185773_100009813875 [0,2,0,0,0,0|2,0,0]=4 1880 B18R0.174 CCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000185773_100020610796 [0,2,0,0,0,0|1,0,1]=4 1881 B18R0.174 CCCCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000210684 [0,2,0,0,0,0|1,0,1]=4 1882 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 34a_100000731257_100000210684 [0,2,0,0,0,0|2,0,0]=4 1883 B18R0.174 CCCCCCCCCCCCCO[C@H](C)C(=O)N 7a_100000731257_100000210684 [0,2,0,0,0,0|2,0,0]=4 1884 B18R0.174 CCCCCCCCCCCCCSC(C)C(=O)N 62a_100000702099_100011934334 [0,2,0,0,0,0|2,0,0]=4 1885 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)N 62a_100009813875_100011934334 [0,2,0,0,0,0|2,0,0]=4 1886 B18R0.174 CCCCCCCCCCCCCSC(F)C(=O)[O-] 62a_100020610796_100011934334 [0,2,0,0,0,0|1,0,1]=4 1887 B18R0.174 CCCCCCCCCCCCNCC(C)C(=O)O 269956a_100000749485_100000759014 [0,2,0,0,0,0|1,0,0]=3 1888 B18R0.174 CCCCCCCCCCCCNCC(F)C(=O)O 269956a_100000084737_100000759014 [0,2,0,0,0,0|1,0,0]=3 1889 B18R0.174 CCCCCCCCCCCCOC[C@H](N)C(=O)N 34a_100000729942_100000759014 [0,2,0,0,0,0|2,0,0]=4 1890 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)C 7a_100011628728_100000179758 [0,2,0,0,0,0|2,0,0]=4 1891 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 34a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 1892 B18R0.174 CCCCCCCCCCSCCOC(C)C(=O)N 7a_100011628728_100000702099 [0,2,0,0,0,0|2,0,0]=4 1893 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 34a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 1894 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)N 7a_100011628728_100009813875 [0,2,0,0,0,0|2,0,0]=4 1895 B18R0.174 CCCCCCCCCCSCCOC(F)C(=O)[O-] 34a_100011628728_100020610796 [0,2,0,0,0,0|1,0,1]=4 1896 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 2230a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 1897 B18R0.174 C[C@@H](NCCCCCCCCCCCCO)C(=O)N 34a_100000119354_100009813331 [0,2,0,0,0,0|2,0,0]=4 1898 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 34a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 1899 B18R0.174 C[C@@H](OCCCCCCCCCCCCO)C(=O)N 7a_100000731257_100009813331 [0,2,0,0,0,0|2,0,0]=4 1900 B18R0.174 C[C@H](NCCCCCCCCCCCCO)C(=O)O 269956a_100000743915_100009813331 [0,2,0,0,0,0|1,0,0]=3 1901 B18R0.174 C[C@H](NCCCCCCOCCCCCO)C(=O)O 269956a_100000743915_200132310570 [0,2,0,0,0,0|2,0,0]=4 1902 B18R0.174 C[C@H](OCCCCCCCCCCCCO)C(=O)[O-] 7a_217856618621_100009813331 [0,2,0,0,0,0|1,0,1]=4 1903 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 2230a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 1904 B18R0.174 NC(=O)C(F)NCCCCCCCCCCCCO 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 1905 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 34a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 1906 B18R0.174 NC(=O)C(F)OCCCCCCCCCCCCBr 7a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 1907 B18R0.174 NC(=O)C(F)SCCCCCCCCCCCCO 62a_100009813331_100009813875 [0,2,0,0,0,0|2,0,0]=4 1908 B18R0.174 NC(=O)[C@@H](N)COCCCCCCCCCCCO 34a_100000729942_100009812471 [0,2,0,0,0,0|2,0,0]=4 1909 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)N 34a_100000066677_100009813875 [0,2,0,0,0,0|2,0,0]=4 1910 B18R0.174 NCCCCCCCCCCCCOC(F)C(=O)[O-] 34a_100000066677_100020610796 [0,2,0,0,0,0|1,0,1]=4 1911 B18R0.174 O=C(O)C(F)CNCCCCCCCCCCCO 269956a_100000084737_100009812471 [0,2,0,0,0,0|1,0,0]=3 1912 B18R0.174 O=C([O-])C(F)NCCCCCCCCCCCCO 34a_100000066677_100020610796 [0,2,0,0,0,0|1,0,1]=4 1913 B18R0.174 O=C([O-])C(F)OCCCCCCCCCCCCBr 34a_100009813331_100020610796 [0,2,0,0,0,0|1,0,1]=4 1914 B18R0.174 O=C([O-])C(F)SCCCCCCCCCCCCO 62a_100009813331_100020610796 [0,2,0,0,0,0|1,0,1]=4 1915 B16R1.1166 C=CC(O)COCCCCC1CCCCC1 34a_100011215267_100000730141 [1,0,0,1,0,0|2,0,0]=4 1916 B16R1.1166 C=CC(O)COCCCCC1CCCCC1 7a_100011215267_100000730141 [1,0,0,1,0,0|2,0,0]=4 1917 B16R1.1166 OCC(O)COCCCCC1CCCCC1 34a_100011215267_100011219619 [1,0,0,1,0,0|1,0,1]=4 1918 B16R1.1166 OCC(O)COCCCCC1CCCCC1 7a_100011215267_100011219619 [1,0,0,1,0,0|1,0,1]=4 1919 B16R1.1166 OC[C@H](O)COCCCCC1CCCCC1 34a_100011215267_100009815848 [1,0,0,1,0,0|1,0,1]=4 1920 B16R1.1166 OC[C@H](O)COCCCCC1CCCCC1 7a_100011215267_100009815848 [1,0,0,1,0,0|1,0,1]=4 1921 B16R1.12713 CCCCCC1CCCC1NC[C@H](O)CO 269862a_100020644852_200000198059 [1,0,0,1,0,0|1,0,1]=4 1922 B16R1.18261 C=CC(O)CNCCC1CCCCCCC1 2230a_100011532352_100000730141 [1,0,0,1,0,0|2,0,0]=4 1923 B16R1.18261 C=CC(O)CNCCC1CCCCCCC1 34a_100011532352_100000730141 [1,0,0,1,0,0|2,0,0]=4 1924 B16R1.18261 OCC(O)CNCCC1CCCCCCC1 2230a_100011532352_100011219619 [1,0,0,1,0,0|1,0,1]=4 1925 B16R1.18261 OCC(O)CNCCC1CCCCCCC1 34a_100011532352_100011219619 [1,0,0,1,0,0|1,0,1]=4 1926 B16R1.18261 OC[C@H](O)CNCCC1CCCCCCC1 2230a_100011532352_100009815848 [1,0,0,1,0,0|1,0,1]=4 1927 B16R1.18261 OC[C@H](O)CNCCC1CCCCCCC1 34a_100011532352_100009815848 [1,0,0,1,0,0|1,0,1]=4 1928 B16R1.4131 CC(CNCCCC1CCCCC1)C(=O)O 269956a_100000749485_100011713725 [1,0,0,1,0,0|2,0,0]=4 1929 B16R1.4131 O=C(O)C(F)CNCCCC1CCCCC1 269956a_100000084737_100011713725 [1,0,0,1,0,0|2,0,0]=4 1930 B16R1.8528 CCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210757 [1,0,0,1,0,0|2,0,0]=4 1931 B16R1.12877 CCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210614 [1,0,0,1,0,0|2,0,0]=4 1932 B16R1.17546 CCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210759 [1,0,0,1,0,0|2,0,0]=4 1933 B16R1.17793 CCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210757 [1,0,0,1,0,0|2,0,0]=4 1934 B16R1.23446 CCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210614 [1,0,0,1,0,0|2,0,0]=4 1935 B16R1.27 CCCCCCCCOC1CCCC(=O)C1 34a_100012613340_100000210759 [1,0,0,1,0,0|2,0,0]=4 1936 B16R1.27 CCCCCCCOCC1CCCC(=O)N1 34a_200000102386_100000210614 [1,0,0,1,0,0|2,0,0]=4 1937 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 269862a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 1938 B16R1.57 CCC1CCCCC1NCCCCC(=O)N 270004a_100000696515_100000757040 [1,0,0,1,0,0|2,0,0]=4 1939 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 34a_100000210738_100009817362 [1,0,0,1,0,0|2,0,0]=4 1940 B16R1.57 CCC1CCCCC1OCCCCC(=O)C 7a_100000210738_100000735457 [1,0,0,1,0,0|2,0,0]=4 1941 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 2230a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1942 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 269982a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1943 B16R1.57 CCC1CCCCN1CCCCCC(=O)N 34a_100000210034_100009817443 [1,0,0,1,0,0|2,0,0]=4 1944 B16R1.250 CCCCCCCCCCSC1CC(=O)C1 62a_100009894365_100000210320 [1,0,0,1,0,0|2,0,0]=4 1945 B16R1.250 CCCCCCCCCNCC1CC(=O)C1 2230a_100000212291_100009874392 [1,0,0,1,0,0|2,0,0]=4 1946 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 34a_100000101936_100011214924 [1,0,0,1,0,0|2,0,0]=4 1947 B16R1.250 CCCCCCCCCOCC1CC(=O)C1 7a_100000210712_100009874392 [1,0,0,1,0,0|2,0,0]=4 1948 B16R1.250 CCCCCCCCCSCC1CC(=O)C1 62a_100009874392_100000210670 [1,0,0,1,0,0|2,0,0]=4 1949 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 2230a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 1950 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 269982a_100015184752_100000210757 [1,0,0,1,0,0|2,0,0]=4 1951 B16R1.270 CCCCCCN1CCCCC1CC(=O)N 34a_100015184752_100000210314 [1,0,0,1,0,0|2,0,0]=4 1952 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 2230a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 1953 B16R1.290 CC1CCCCC1NCCCCCC(=O)N 34a_100000211402_100009817443 [1,0,0,1,0,0|2,0,0]=4 1954 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 34a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 1955 B16R1.290 CC1CCCCC1OCCCCCC(=O)N 7a_100000211207_100009817443 [1,0,0,1,0,0|2,0,0]=4 1956 B16R1.596 CC(=O)CCCCNCCC1CCCCC1 34a_100000738074_100009817362 [1,0,0,1,0,0|2,0,0]=4 1957 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 34a_100011217863_100009817362 [1,0,0,1,0,0|2,0,0]=4 1958 B16R1.596 CC(=O)CCCCOCCC1CCCCC1 7a_100011217863_100000735457 [1,0,0,1,0,0|2,0,0]=4 1959 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100000735457_100012355289 [1,0,0,1,0,0|2,0,0]=4 1960 B16R1.596 CC(=O)CCCCSCCC1CCCCC1 62a_100012355289_100000735457 [1,0,0,1,0,0|2,0,0]=4 1961 B16R1.596 CC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100000685027 [1,0,0,1,0,0|2,0,0]=4 1962 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100000685027 [1,0,0,1,0,0|2,0,0]=4 1963 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 34a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 1964 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100011215641 [1,0,0,1,0,0|2,0,0]=4 1965 B16R1.596 CC(=O)CCCOCCCC1CCCCC1 7a_100000759063_100011713725 [1,0,0,1,0,0|2,0,0]=4 1966 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011215641_100011713725 [1,0,0,1,0,0|2,0,0]=4 1967 B16R1.596 CC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100011215641 [1,0,0,1,0,0|2,0,0]=4 1968 B16R1.596 CC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000053229 [1,0,0,1,0,0|2,0,0]=4 1969 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 2230a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 1970 B16R1.596 NC(=O)CCCCCNCC1CCCCC1 34a_100000210473_100009817443 [1,0,0,1,0,0|2,0,0]=4 1971 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 1972 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 34a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 1973 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000123541_100000211423 [1,0,0,1,0,0|2,0,0]=4 1974 B16R1.596 NC(=O)CCCCCOCC1CCCCC1 7a_100000212181_100009817443 [1,0,0,1,0,0|2,0,0]=4 1975 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100000211423_100009817443 [1,0,0,1,0,0|2,0,0]=4 1976 B16R1.596 NC(=O)CCCCCSCC1CCCCC1 62a_100009817443_100000211423 [1,0,0,1,0,0|2,0,0]=4 1977 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 270004a_100000696515_100011713444 [1,0,0,1,0,0|2,0,0]=4 1978 B16R1.596 NC(=O)CCCCNCCC1CCCCC1 34a_100000696515_100011209188 [1,0,0,1,0,0|2,0,0]=4 1979 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 34a_100012022536_100011209188 [1,0,0,1,0,0|2,0,0]=4 1980 B16R1.596 NC(=O)CCCCOCCC1CCCCC1 7a_100012022536_100011273959 [1,0,0,1,0,0|2,0,0]=4 1981 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100000739312_100011713725 [1,0,0,1,0,0|2,0,0]=4 1982 B16R1.596 NC(=O)CCCNCCCC1CCCCC1 34a_100011211642_100102525003 [1,0,0,1,0,0|2,0,0]=4 1983 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 34a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 1984 B16R1.596 NC(=O)CCCOCCCC1CCCCC1 7a_100000198086_100102525003 [1,0,0,1,0,0|2,0,0]=4 1985 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100011713725_100102525003 [1,0,0,1,0,0|2,0,0]=4 1986 B16R1.596 NC(=O)CCCSCCCC1CCCCC1 62a_100102525003_100011713725 [1,0,0,1,0,0|2,0,0]=4 1987 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 34a_100011215267_100000731001 [1,0,0,1,0,0|2,0,0]=4 1988 B16R1.596 NC(=O)CCOCCCCC1CCCCC1 7a_100011215267_100000744528 [1,0,0,1,0,0|2,0,0]=4 1989 B16R1.596 O=C(O)COCCNCCC1CCCCC1 269956a_100000700818_100011273959 [1,0,0,1,0,0|2,0,0]=4 1990 B16R1.596 O=C([O-])CCCCCOCC1CCCCC1 7a_100102619762_100000211423 [1,0,0,1,0,0|1,0,1]=4 1991 B16R1.695 CCCC1CCCCC1NCCCC(=O)N 269862a_100000739312_100011218038 [1,0,0,1,0,0|2,0,0]=4 1992 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 34a_100011217265_100000685027 [1,0,0,1,0,0|2,0,0]=4 1993 B16R1.695 CCCC1CCCCC1OCCCC(=O)C 7a_100011217265_100011215641 [1,0,0,1,0,0|2,0,0]=4 1994 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 34a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 1995 B16R1.695 CCCC1CCCCC1OCCCC(=O)N 7a_100011217265_100102525003 [1,0,0,1,0,0|2,0,0]=4 1996 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 269982a_100000701414_100000735457 [1,0,0,1,0,0|2,0,0]=4 1997 B16R1.695 CCCC1CCCCN1CCCCC(=O)C 34a_100000701414_100009817362 [1,0,0,1,0,0|2,0,0]=4 1998 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 269862a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 1999 B16R1.708 CCCC1CCCC1NCCCCC(=O)N 270004a_100000696515_100000723119 [1,0,0,1,0,0|2,0,0]=4 2000 B16R1.1270 CCCCC1CCCC1NCCCC(=O)N 269862a_100000739312_100000750825 [1,0,0,1,0,0|2,0,0]=4 2001 B16R1.1275 CC(=O)CCCCNCCCC1CCCC1 34a_100000736752_100009817362 [1,0,0,1,0,0|2,0,0]=4 2002 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 34a_100011215328_100009817362 [1,0,0,1,0,0|2,0,0]=4 2003 B16R1.1275 CC(=O)CCCCOCCCC1CCCC1 7a_100011215328_100000735457 [1,0,0,1,0,0|2,0,0]=4 2004 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100000735457_100011713738 [1,0,0,1,0,0|2,0,0]=4 2005 B16R1.1275 CC(=O)CCCCSCCCC1CCCC1 62a_100011713738_100000735457 [1,0,0,1,0,0|2,0,0]=4 2006 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 2230a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 2007 B16R1.1275 NC(=O)CCCCCNCCC1CCCC1 34a_100000739158_100009817443 [1,0,0,1,0,0|2,0,0]=4 2008 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 2009 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 34a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 2010 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000123541_100000760354 [1,0,0,1,0,0|2,0,0]=4 2011 B16R1.1275 NC(=O)CCCCCOCCC1CCCC1 7a_100000749090_100009817443 [1,0,0,1,0,0|2,0,0]=4 2012 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100000760354_100009817443 [1,0,0,1,0,0|2,0,0]=4 2013 B16R1.1275 NC(=O)CCCCCSCCC1CCCC1 62a_100009817443_100000760354 [1,0,0,1,0,0|2,0,0]=4 2014 B16R1.1275 NC(=O)CCCCNCCCC1CCCC1 34a_100000696515_100011713738 [1,0,0,1,0,0|2,0,0]=4 2015 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 34a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 2016 B16R1.1275 NC(=O)CCCCOCCCC1CCCC1 7a_100012022536_100011713738 [1,0,0,1,0,0|2,0,0]=4 2017 B16R1.1275 O=C(O)COCCNCCCC1CCCC1 269956a_100000700818_100011713738 [1,0,0,1,0,0|2,0,0]=4 2018 B16R1.1275 O=C([O-])CCCCCOCCC1CCCC1 7a_100102619762_100000760354 [1,0,0,1,0,0|1,0,1]=4 2019 B16R1.1424 CCCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210326 [1,0,0,1,0,0|1,0,0]=3 2020 B16R1.1424 CCOCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000210147 [1,0,0,1,0,0|2,0,0]=4 2021 B16R1.1424 CCSCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000757381 [1,0,0,1,0,0|2,0,0]=4 2022 B16R1.1424 COCCCN1CCCCC1CCC(=O)O 269956a_100000694054_100000740836 [1,0,0,1,0,0|2,0,0]=4 2023 B16R1.1424 O=C(O)CCC1CCCCN1CCCCF 269956a_100000694054_100000729493 [1,0,0,1,0,0|2,0,0]=4 2024 B16R1.1424 O=C(O)CCC1CCCCN1CCCCO 269956a_100000694054_100000210776 [1,0,0,1,0,0|2,0,0]=4 2025 B16R1.1442 CCCCCC1CCCC1NCCC(=O)N 269862a_100000740010_200000198059 [1,0,0,1,0,0|2,0,0]=4 2026 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 2230a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 2027 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 269982a_100000181395_100000210681 [1,0,0,1,0,0|2,0,0]=4 2028 B16R1.3900 CCCCCCCN1CCCCC1C(=O)N 34a_100000181395_100000210614 [1,0,0,1,0,0|2,0,0]=4 2029 B16R1.3900 CCCCCCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000210614 [1,0,0,1,0,0|1,0,0]=3 2030 B16R1.3900 CCCCCCCN1CCOC[C@@H]1C(=O)O 269956a_100016993156_100000210614 [1,0,0,1,0,0|2,0,0]=4 2031 B16R1.3900 CCCCCCCN1CCSCC1C(=O)O 269956a_100011346106_100000210614 [1,0,0,1,0,0|2,0,0]=4 2032 B16R1.3900 CCCCCCCN1CSCCC1C(=O)O 269956a_100015185162_100000210614 [1,0,0,1,0,0|2,0,0]=4 2033 B16R1.3900 CCCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000210757 [1,0,0,1,0,0|1,0,0]=3 2034 B16R1.3900 CCCCOCCN1CCCC[C@@H]1C(=O)O 269956a_100000763471_100000743108 [1,0,0,1,0,0|2,0,0]=4 2035 B16R1.3900 CCCCOCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011995733 [1,0,0,1,0,0|2,0,0]=4 2036 B16R1.3900 CCCOCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100011215938 [1,0,0,1,0,0|2,0,0]=4 2037 B16R1.3900 CCOCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100012232248 [1,0,0,1,0,0|2,0,0]=4 2038 B16R1.3900 COCCCCN[C@@H]1CCCC[C@H]1C(=O)O 269956a_100009816435_100000730899 [1,0,0,1,0,0|2,0,0]=4 2039 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCF 269956a_100009816435_100000729378 [1,0,0,1,0,0|2,0,0]=4 2040 B16R1.3900 O=C(O)[C@@H]1CCCC[C@H]1NCCCCCO 269956a_100009816435_100000746330 [1,0,0,1,0,0|2,0,0]=4 2041 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCF 269956a_100000763471_100015922095 [1,0,0,1,0,0|2,0,0]=4 2042 B16R1.3900 O=C(O)[C@H]1CCCCN1CCCCCCO 269956a_100000763471_100000766143 [1,0,0,1,0,0|2,0,0]=4 2043 B16R1.5450 CCCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000210211 [1,0,0,1,0,0|1,0,0]=3 2044 B16R1.5450 CCOCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000739092 [1,0,0,1,0,0|2,0,0]=4 2045 B16R1.5450 COCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000233755 [1,0,0,1,0,0|2,0,0]=4 2046 B16R1.5450 CSCCN[C@@H]1CCCCCC[C@@H]1C(=O)O 269956a_200049070474_100000212216 [1,0,0,1,0,0|2,0,0]=4 2047 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCF 269956a_200049070474_100011934791 [1,0,0,1,0,0|2,0,0]=4 2048 B16R1.5450 O=C(O)[C@H]1CCCCCC[C@H]1NCCCO 269956a_200049070474_100011215043 [1,0,0,1,0,0|2,0,0]=4 2049 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)N 2230a_100000003125_100000210759 [1,0,0,1,0,0|2,0,0]=4 2050 B16R1.6690 CCCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100000210759 [1,0,0,1,0,0|1,0,0]=3 2051 B16R1.6690 CCCCCCCCN1CCSC1C(=O)O 269956a_100000035718_100000210759 [1,0,0,1,0,0|2,0,0]=4 2052 B16R1.6690 CCCCCCCCN1CSC[C@H]1C(=O)O 269956a_100000743924_100000210759 [1,0,0,1,0,0|2,0,0]=4 2053 B16R1.6690 COCCCCCCN1CCC[C@H]1C(=O)O 269956a_100000743916_100011998445 [1,0,0,1,0,0|2,0,0]=4 2054 B16R1.6690 O=C(O)[C@@H]1CCCN1CCCCCCCO 269956a_100000743916_100000760002 [1,0,0,1,0,0|2,0,0]=4 2055 B16R1.7037 CCCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000210757 [1,0,0,1,0,0|1,0,0]=3 2056 B16R1.7037 CCCCOCN1CCCCCC1C(=O)O 269956a_100000758484_100011995733 [1,0,0,1,0,0|2,0,0]=4 2057 B16R1.7037 CCCOCCN1CCCCCC1C(=O)O 269956a_100000758484_100011215938 [1,0,0,1,0,0|2,0,0]=4 2058 B16R1.7037 CCOCCCN1CCCCCC1C(=O)O 269956a_100000758484_100012232248 [1,0,0,1,0,0|2,0,0]=4 2059 B16R1.7037 COCCCCN1CCCCCC1C(=O)O 269956a_100000758484_100000730899 [1,0,0,1,0,0|2,0,0]=4 2060 B16R1.7037 O=C(O)C1CCCCCN1CCCCCF 269956a_100000758484_100000729378 [1,0,0,1,0,0|2,0,0]=4 2061 B16R1.7037 O=C(O)C1CCCCCN1CCCCCO 269956a_100000758484_100000746330 [1,0,0,1,0,0|2,0,0]=4 2062 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 269982a_100000039187_100000735457 [1,0,0,1,0,0|2,0,0]=4 2063 B16R1.12272 CC(=O)CCCCN1CCCCCCCC1 34a_100000039187_100009817362 [1,0,0,1,0,0|2,0,0]=4 2064 B16R1.12354 CC(=O)CCCCNC1CCCCCCC1 34a_100000211152_100009817362 [1,0,0,1,0,0|2,0,0]=4 2065 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 34a_100000210054_100009817362 [1,0,0,1,0,0|2,0,0]=4 2066 B16R1.12354 CC(=O)CCCCOC1CCCCCCC1 7a_100000210054_100000735457 [1,0,0,1,0,0|2,0,0]=4 2067 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100000685027 [1,0,0,1,0,0|2,0,0]=4 2068 B16R1.12354 CC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100011215641 [1,0,0,1,0,0|2,0,0]=4 2069 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 2230a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2070 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 269982a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2071 B16R1.12354 NC(=O)CCCCCN1CCCCCCC1 34a_100000211400_100009817443 [1,0,0,1,0,0|2,0,0]=4 2072 B16R1.12354 NC(=O)CCCCNC1CCCCCCC1 270004a_100000696515_100000210524 [1,0,0,1,0,0|2,0,0]=4 2073 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 34a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 2074 B16R1.12354 NC(=O)CCCOCC1CCCCCCC1 7a_100011216312_100102525003 [1,0,0,1,0,0|2,0,0]=4 2075 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 2230a_100011532352_100000744528 [1,0,0,1,0,0|2,0,0]=4 2076 B16R1.12354 NC(=O)CCNCCC1CCCCCCC1 34a_100011532352_100000731001 [1,0,0,1,0,0|2,0,0]=4 2077 B16R1.17540 CCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100000210670 [1,0,0,1,0,0|1,0,0]=3 2078 B16R1.17540 O=C(O)C1CCN1CCCCCCCCO 269956a_100000021838_100000033203 [1,0,0,1,0,0|2,0,0]=4 2079 B16R1.18095 CC(=O)CCCCNCC1CCCCCC1 34a_100015204231_100009817362 [1,0,0,1,0,0|2,0,0]=4 2080 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 34a_100000699130_100009817362 [1,0,0,1,0,0|2,0,0]=4 2081 B16R1.18095 CC(=O)CCCCOCC1CCCCCC1 7a_100000699130_100000735457 [1,0,0,1,0,0|2,0,0]=4 2082 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_100000735457_200000696569 [1,0,0,1,0,0|2,0,0]=4 2083 B16R1.18095 CC(=O)CCCCSCC1CCCCCC1 62a_200000696569_100000735457 [1,0,0,1,0,0|2,0,0]=4 2084 B16R1.18095 CC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100000685027 [1,0,0,1,0,0|2,0,0]=4 2085 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 2230a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 2086 B16R1.18095 NC(=O)CCCCCNC1CCCCCC1 34a_100000210984_100009817443 [1,0,0,1,0,0|2,0,0]=4 2087 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000123541_100011217769 [1,0,0,1,0,0|2,0,0]=4 2088 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 34a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 2089 B16R1.18095 NC(=O)CCCCCOC1CCCCCC1 7a_100000210887_100009817443 [1,0,0,1,0,0|2,0,0]=4 2090 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100009817443_100011217769 [1,0,0,1,0,0|2,0,0]=4 2091 B16R1.18095 NC(=O)CCCCCSC1CCCCCC1 62a_100011217769_100009817443 [1,0,0,1,0,0|2,0,0]=4 2092 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 269862a_100000696515_200000763224 [1,0,0,1,0,0|2,0,0]=4 2093 B16R1.18095 NC(=O)CCCCNCC1CCCCCC1 34a_100000696515_200000696569 [1,0,0,1,0,0|2,0,0]=4 2094 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 34a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 2095 B16R1.18095 NC(=O)CCCCOCC1CCCCCC1 7a_100012022536_200000696569 [1,0,0,1,0,0|2,0,0]=4 2096 B16R1.18095 NC(=O)CCCNCCC1CCCCCC1 34a_100011532351_100102525003 [1,0,0,1,0,0|2,0,0]=4 2097 B16R1.18095 O=C(O)COCCNCC1CCCCCC1 269956a_100000700818_200000696569 [1,0,0,1,0,0|2,0,0]=4 2098 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 11a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 2099 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 1626a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 2100 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 240690a_100011194316_100015343762 [1,0,0,1,0,0|2,0,0]=4 2101 B16R1.18167 CC(=O)NC1CCCCCCCCCCC1 527a_100011194316_100103153847 [1,0,0,1,0,0|2,0,0]=4 2102 B18R1.1260 CCCCCCCCCCCNC1COC(=O)O1 34a_200011215754_100000032252 [0,0,0,1,0,1|2,0,0]=4 2103 B18R1.1260 CCCCCCCCCCCOC1COC(=O)O1 34a_100000210809_100000032252 [0,0,0,1,0,1|2,0,0]=4 2104 B18R1.1260 CCCCCCCCCCNCC1COC(=O)O1 34a_100000684558_100000073702 [0,0,0,1,0,1|2,0,0]=4 2105 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 2230a_100000684558_100015307671 [0,0,0,1,0,1|2,0,0]=4 2106 B18R1.1260 CCCCCCCCCCNC[C@H]1COC(=O)N1 34a_100000684558_100015307671 [0,0,0,1,0,1|2,0,0]=4 2107 B18R1.1260 CCCCCCCCCCOCC1COC(=O)O1 34a_100000210711_100000073702 [0,0,0,1,0,1|2,0,0]=4 2108 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 34a_100000210711_100015307671 [0,0,0,1,0,1|2,0,0]=4 2109 B18R1.1260 CCCCCCCCCCOC[C@H]1COC(=O)N1 7a_100000210711_100015307671 [0,0,0,1,0,1|2,0,0]=4 2110 B18R1.1260 CCCCCCCCCCSCC1COC(=O)O1 62a_100000073702_100000210320 [0,0,0,1,0,1|2,0,0]=4 2111 B18R1.1260 CCCCCCCCCCSC[C@H]1COC(=O)N1 62a_100015307671_100000210320 [0,0,0,1,0,1|2,0,0]=4 2112 B18R1.35427 CCCCCCCCCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210670 [0,0,0,1,0,1|2,0,0]=4 2113 B18R1.40552 CCCCCCCCCCN1CC(C1)CC(=O)O 269956a_100016993960_100000210320 [0,0,0,1,0,1|2,0,0]=4 2114 B18R1.41031 CCCCCCCCN1CCCC(C1)CC(=O)O 269956a_100015207179_100000210759 [0,0,0,1,0,1|2,0,0]=4 2115 B18R1.23588 CCCCCCCC(C)N[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_200011218727 [0,1,0,1,0,0|2,0,0]=4 2116 B18R1.105798 CCCCCCCC(C)N1CCC[C@@]1(C)C(=O)O 269956a_100009816582_200011218727 [0,1,0,1,0,0|2,0,0]=4 2117 B18R1.119306 CCCCCCCCN1CCCC(CC1)C(=O)O 269956a_100000134118_100000210759 [0,1,0,1,0,0|2,0,0]=4 2118 B18R1.7229 CCCCCCC(C)NC1CCCC(C1)C(=O)O 269956a_100011216634_100011215978 [0,1,0,1,0,0|2,0,0]=4 2119 B18R1.59740 CCCCCCC(C)N1CCCCC1(C)C(=O)O 269956a_100000698061_100011215978 [0,1,0,1,0,0|2,0,0]=4 2120 B18R1.291 CCCCCCCCCN1CCC(CC1)C(=O)O 269956a_100000210459_100000210670 [0,1,0,1,0,0|2,0,0]=4 2121 B18R1.291 CCCCCCCCN[C@H]1CC[C@H](CC1)C(=O)O 269956a_100009815960_100000210759 [0,1,0,1,0,0|2,0,0]=4 2122 B18R1.291 CCCCCCCNC[C@H]1CC[C@@H](CC1)C(=O)O 269956a_100000694822_100000210614 [0,1,0,1,0,0|2,0,0]=4 2123 B18R1.4124 CCCCCCCN1CCCCC1(CC)C(=O)O 269956a_100015183942_100000210614 [0,1,0,1,0,0|2,0,0]=4 2124 B18R1.8774 CCCCCCCCN1CCCC1(CC)C(=O)O 269956a_100000695297_100000210759 [0,1,0,1,0,0|2,0,0]=4 2125 B18R1.9547 CCCCCCC1CCCC1N[C@@H](CO)C(=O)N 270004a_100000729942_100000189428 [0,1,0,1,0,0|2,0,0]=4 2126 B18R1.13145 CCCCCCCCCCCN1CCC1C(=O)O 269956a_100000021838_100011215454 [0,1,0,1,0,0|2,0,0]=4 2127 B18R1.21916 CCCCCCCCCCCNC1CCOC1=O 2230a_200011215754_100000211211 [0,1,0,1,0,0|2,0,0]=4 2128 B18R1.21916 CCCCCCCCCCCNC1CCOC1=O 34a_200011215754_100000211211 [0,1,0,1,0,0|2,0,0]=4 2129 B18R1.21916 CCCCCCCCCCCN[C@@H]1CONC1=O 2230a_100000765999_100011215454 [0,1,0,1,0,0|2,0,0]=4 2130 B18R1.21916 CCCCCCCCCCCN[C@@H]1CONC1=O 34a_100000765999_100011215454 [0,1,0,1,0,0|2,0,0]=4 2131 B18R1.21916 CCCCCCCCCCCOC1CCOC1=O 34a_100000210809_100000211211 [0,1,0,1,0,0|2,0,0]=4 2132 B18R1.21916 CCCCCCCCCCCOC1CCOC1=O 7a_100000210809_100000211211 [0,1,0,1,0,0|2,0,0]=4 2133 B18R1.21916 CCCCCCCCCCCSC1CCOC1=O 62a_100000211211_100011215454 [0,1,0,1,0,0|2,0,0]=4 2134 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 2230a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 2135 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 269982a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 2136 B18R1.40557 CCCCCCCCCCN1CCC(C1)C(=O)N 34a_100000752358_100000210320 [0,1,0,1,0,0|2,0,0]=4 2137 B18R1.40557 CCCCCCCCCN[C@@H]1C=C[C@@H](C1)C(=O)O 269956a_100016988855_100000210670 [0,1,0,1,0,0|2,0,0]=4 2138 B18R1.40557 CCCCCCCCCN[C@H]1CC[C@H](C1)C(=O)O 269956a_100015195206_100000210670 [0,1,0,1,0,0|1,0,0]=3 2139 B18R1.40557 O=C(O)[C@@H]1CC[C@@H](C1)NCCCCCCCCO 269956a_100015195206_100000033203 [0,1,0,1,0,0|2,0,0]=4 2140 B18R1.292926 CCCCCCCCCCCNC1(CC1)C(=O)O 269956a_100000746478_100011215454 [0,1,0,1,0,0|2,0,0]=4 2141 B18R1.292926 CCCCCCCCCCNCC1(CC1)C(=O)O 269956a_100000703410_100000210320 [0,1,0,1,0,0|2,0,0]=4 2142 B18R1.292926 CCCCCCCCCNCCC1(CC1)C(=O)O 269956a_100000690630_100000210670 [0,1,0,1,0,0|2,0,0]=4 2143 B18R1.21182 CC(C)CCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210682 [0,1,0,1,0,0|2,0,0]=4 2144 B18R1.174670 CC(C)CCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210682 [0,1,0,1,0,0|2,0,0]=4 2145 B18R1.1642 COC(=O)C(C)CCNCCCC1CCCCC1 2230a_100011211642_100000034942 [0,1,0,1,0,0|2,0,0]=4 2146 B18R1.1642 COC(=O)C(C)CCNCCCC1CCCCC1 34a_100011211642_100000034942 [0,1,0,1,0,0|2,0,0]=4 2147 B18R1.1642 COC(=O)C(C)CCOCCCC1CCCCC1 34a_100000198086_100000034942 [0,1,0,1,0,0|2,0,0]=4 2148 B18R1.1642 COC(=O)C(C)CCOCCCC1CCCCC1 7a_100000198086_100000034942 [0,1,0,1,0,0|2,0,0]=4 2149 B18R1.1642 COC(=O)C(C)CCSCCCC1CCCCC1 62a_100000034942_100011713725 [0,1,0,1,0,0|2,0,0]=4 2150 B18R1.1642 COC(=O)C(C)CCSCCCC1CCCCC1 62a_100011713725_100000034942 [0,1,0,1,0,0|2,0,0]=4 2151 B18R1.1642 COC(=O)C(C)COCCCCC1CCCCC1 34a_100011215267_100000698445 [0,1,0,1,0,0|2,0,0]=4 2152 B18R1.4123 CCCCCCCN1CCCCC1(C)C(=O)OC 2230a_100015186357_100000210681 [0,1,0,1,0,0|2,0,0]=4 2153 B18R1.4123 CCCCCCCN1CCCCC1(C)C(=O)OC 269982a_100015186357_100000210681 [0,1,0,1,0,0|2,0,0]=4 2154 B18R1.4123 CCCCCCCN1CCCCC1(C)C(=O)OC 34a_100015186357_100000210614 [0,1,0,1,0,0|2,0,0]=4 2155 B18R1.8773 CCCCCCCCN1CCC[C@@]1(C)C(=O)OC 2230a_100000719487_100000210759 [0,1,0,1,0,0|2,0,0]=4 2156 B18R1.8773 CCCCCCCCN1CCC[C@@]1(C)C(=O)OC 269982a_100000719487_100000210759 [0,1,0,1,0,0|2,0,0]=4 2157 B18R1.8773 CCCCCCCCN1CCC[C@@]1(C)C(=O)OC 34a_100000719487_100000210759 [0,1,0,1,0,0|2,0,0]=4 2158 B18R1.13159 CCCCCCCCCCCN1CC1C(=O)OC 2230a_200009830135_100011215454 [0,1,0,1,0,0|2,0,0]=4 2159 B18R1.14779 CCCC1CCCCC1OCCC(C)C(=O)OC 34a_100011217265_100000034942 [0,1,0,1,0,0|2,0,0]=4 2160 B18R1.14779 CCCC1CCCCC1OCCC(C)C(=O)OC 7a_100011217265_100000034942 [0,1,0,1,0,0|2,0,0]=4 2161 B18R1.21928 CCCCCCCCCCN1CC[C@H]([C@H](C1)O)O 2230a_100000690696_100000210320 [0,1,0,1,0,0|1,0,1]=4 2162 B18R1.21928 CCCCCCCCCCN1CC[C@H]([C@H](C1)O)O 269982a_100000690696_100000210320 [0,1,0,1,0,0|1,0,1]=4 2163 B18R1.35424 CCCCCCCCCN1CC[C@H](C1)C(=O)OC 2230a_100016989057_100011214924 [0,1,0,1,0,0|2,0,0]=4 2164 B18R1.35424 CCCCCCCCCN1CC[C@H](C1)C(=O)OC 269982a_100016989057_100000210670 [0,1,0,1,0,0|2,0,0]=4 2165 B18R1.35424 CCCCCCCCOC1CCC(C1)C(=O)OC 34a_100010257243_100000210759 [0,1,0,1,0,0|2,0,0]=4 2166 B18R1.35424 CCCCCCCCOC1CCC(C1)C(=O)OC 7a_100010257243_100000210759 [0,1,0,1,0,0|2,0,0]=4 2167 B18R1.35424 CCCCCCCNC[C@H]1CC[C@H](C1)C(=O)OC 2230a_100000229938_200159312670 [0,1,0,1,0,0|2,0,0]=4 2168 B18R1.35424 CCCCCCCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100000210272_200159312670 [0,1,0,1,0,0|2,0,0]=4 2169 B18R1.35424 CCCCCCCOC[C@H]1CC[C@H](C1)C(=O)OC 34a_100015302752_100000210614 [0,1,0,1,0,0|2,0,0]=4 2170 B18R1.35424 CCCCCCCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100000210272_200159312670 [0,1,0,1,0,0|2,0,0]=4 2171 B18R1.35424 CCCCCCCOC[C@H]1CC[C@H](C1)C(=O)OC 7a_100015302752_100000210614 [0,1,0,1,0,0|2,0,0]=4 2172 B18R1.35424 CCCCCCCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_100000210614_200159312670 [0,1,0,1,0,0|2,0,0]=4 2173 B18R1.35424 CCCCCCCSC[C@H]1CC[C@H](C1)C(=O)OC 62a_200159312670_100000210316 [0,1,0,1,0,0|2,0,0]=4 2174 B18R1.40554 CCCCCCCCCCN1CC(C1)C(=O)OC 269982a_100015188540_100000210320 [0,1,0,1,0,0|2,0,0]=4 2175 B18R1.40554 CCCCCCCCCNC1CC(C1)C(=O)OC 34a_100000212291_100009897219 [0,1,0,1,0,0|2,0,0]=4 2176 B18R1.40554 CCCCCCCCCOC1CC(C1)C(=O)OC 34a_100000210712_100009897219 [0,1,0,1,0,0|2,0,0]=4 2177 B18R1.40554 CCCCCCCCCOC1CC(C1)C(=O)OC 7a_100000076263_100000210328 [0,1,0,1,0,0|2,0,0]=4 2178 B18R1.40554 CCCCCCCCCOC1CC(C1)C(=O)OC 7a_100000210712_100009897219 [0,1,0,1,0,0|2,0,0]=4 2179 B18R1.40554 CCCCCCCCCSC1CC(C1)C(=O)OC 62a_100009897219_100000210670 [0,1,0,1,0,0|2,0,0]=4 2180 B18R1.40554 CCCCCCCCOCC1CC(C1)C(=O)OC 34a_100009884387_100000210759 [0,1,0,1,0,0|2,0,0]=4 2181 B18R1.40554 CCCCCCCCOCC1CC(C1)C(=O)OC 7a_100009884387_100000210759 [0,1,0,1,0,0|2,0,0]=4 2182 B18R1.41028 CCCCCCCCN1CCC[C@@H](C1)C(=O)OC 2230a_100016988859_100000210759 [0,1,0,1,0,0|2,0,0]=4 2183 B18R1.41028 CCCCCCCCN1CCC[C@@H](C1)C(=O)OC 269982a_100016988859_100000210759 [0,1,0,1,0,0|2,0,0]=4 2184 B18R1.41028 CCCCCCCOC1CCCC(C1)C(=O)OC 34a_100012184231_100000210614 [0,1,0,1,0,0|2,0,0]=4 2185 B18R1.41028 CCCCCCCOC1CCCC(C1)C(=O)OC 7a_100012184231_100000210614 [0,1,0,1,0,0|2,0,0]=4 2186 B18R1.44810 COC(=O)C(C)CCOCC1CCCCCCC1 34a_100011216312_100000034942 [0,1,0,1,0,0|2,0,0]=4 2187 B18R1.44810 COC(=O)C(C)CCOCC1CCCCCCC1 7a_100011216312_100000034942 [0,1,0,1,0,0|2,0,0]=4 2188 B18R1.44810 COC(=O)C(C)CNCCC1CCCCCCC1 34a_100011532352_100000698445 [0,1,0,1,0,0|2,0,0]=4 2189 B18R1.44978 COC(=O)C(C)CCNCCC1CCCCCC1 2230a_100011532351_100000034942 [0,1,0,1,0,0|2,0,0]=4 2190 B18R1.44978 COC(=O)C(C)CCNCCC1CCCCCC1 34a_100011532351_100000034942 [0,1,0,1,0,0|2,0,0]=4 2191 B18R1.52728 CC(=O)C(C)NC1CCCCCCCCCCC1 2230a_100011194316_100009814033 [0,1,0,1,0,0|2,0,0]=4 2192 B18R1.52728 CC(=O)C(C)OC1CCCCCCCCCCC1 7a_100000211378_100000179758 [0,1,0,1,0,0|2,0,0]=4 2193 B18R1.52728 CC(NC1CCCCCCCCCCC1)C(=O)N 2230a_100011194316_100000702099 [0,1,0,1,0,0|2,0,0]=4 2194 B18R1.52728 CC(NC1CCCCCCCCCCC1)C(=O)N 34a_100011194316_100000702099 [0,1,0,1,0,0|2,0,0]=4 2195 B18R1.52728 CC(OC1CCCCCCCCCCC1)C(=O)N 34a_100000211378_100000702099 [0,1,0,1,0,0|2,0,0]=4 2196 B18R1.52728 CC(OC1CCCCCCCCCCC1)C(=O)N 7a_100000211378_100000702099 [0,1,0,1,0,0|2,0,0]=4 2197 B18R1.52728 C[C@@H](NC1CCCCCCCCCCC1)C(=O)N 270004a_100000119354_100000210130 [0,1,0,1,0,0|2,0,0]=4 2198 B18R1.52728 NC(=O)C(F)NC1CCCCCCCCCCC1 2230a_100011194316_100009813875 [0,1,0,1,0,0|2,0,0]=4 2199 B18R1.52728 NC(=O)C(F)NC1CCCCCCCCCCC1 34a_100011194316_100009813875 [0,1,0,1,0,0|2,0,0]=4 2200 B18R1.52728 NC(=O)C(F)OC1CCCCCCCCCCC1 34a_100000211378_100009813875 [0,1,0,1,0,0|2,0,0]=4 2201 B18R1.52728 NC(=O)C(F)OC1CCCCCCCCCCC1 7a_100000211378_100009813875 [0,1,0,1,0,0|2,0,0]=4 2202 B18R1.52728 O=C([O-])C(F)NC1CCCCCCCCCCC1 34a_100011194316_100020610796 [0,1,0,1,0,0|1,0,1]=4 2203 B18R1.52728 O=C([O-])C(F)OC1CCCCCCCCCCC1 34a_100000211378_100020610796 [0,1,0,1,0,0|1,0,1]=4 2204 B18R1.13152 CCCCCCCCCCCN1CC(C1)C(=O)N 34a_100025753142_100011215454 [0,1,0,1,0,0|2,0,0]=4 2205 B18R1.13152 CCCCCCCCCCN[C@H]1C[C@H](C1)C(=O)O 269956a_100000738708_100000210320 [0,1,0,1,0,0|1,0,0]=3 2206 B18R1.13152 O=C(O)[C@H]1C[C@H](C1)NCCCCCCCCCO 269956a_100000738708_100009813782 [0,1,0,1,0,0|2,0,0]=4 2207 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 2230a_100000195536_100011214924 [0,1,0,1,0,0|2,0,0]=4 2208 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 269982a_100000195536_100000210670 [0,1,0,1,0,0|2,0,0]=4 2209 B18R1.13444 CCCCCCCCCN1CCCC(C1)C(=O)N 34a_100000195536_100011214924 [0,1,0,1,0,0|2,0,0]=4 2210 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)N 2230a_100000749473_100000210759 [0,1,0,1,0,0|2,0,0]=4 2211 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)N 34a_100000749473_100000210759 [0,1,0,1,0,0|2,0,0]=4 2212 B18R1.13444 CCCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100000210759 [0,1,0,1,0,0|1,0,0]=3 2213 B18R1.13444 COCCCCCCNC1CCCC(C1)C(=O)O 269956a_100011216634_100011998445 [0,1,0,1,0,0|2,0,0]=4 2214 B18R1.13444 O=C(O)C1CCCC(C1)NCCCCCCCO 269956a_100011216634_100000760002 [0,1,0,1,0,0|2,0,0]=4 2215 B18R1.21926 CCCCCCCCCCCCNC1CCC1=O 34a_100000210451_100009892977 [0,1,0,1,0,0|2,0,0]=4 2216 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 34a_100000210810_100009892977 [0,1,0,1,0,0|2,0,0]=4 2217 B18R1.21926 CCCCCCCCCCCCOC1CCC1=O 7a_100000210810_100009892977 [0,1,0,1,0,0|2,0,0]=4 2218 B18R1.21926 CCCCCCCCCCNCCC1CCC1=O 2230a_100000684558_200016118888 [0,1,0,1,0,0|2,0,0]=4 2219 B18R1.21926 CCCCCCCCCCOCCC1CCC1=O 7a_100000210711_200016118888 [0,1,0,1,0,0|2,0,0]=4 2220 B18R1.34999 CCCCCCCCCCCN1C[C@H]([C@H](C1)O)O 2230a_100015207562_100011215454 [0,1,0,1,0,0|1,0,1]=4 2221 B18R1.34999 CCCCCCCCCCCN1C[C@H]([C@H](C1)O)O 269982a_100015207562_100011215454 [0,1,0,1,0,0|1,0,1]=4 2222 B18R1.40320 CCCCCCCC1CCCC1N[C@H](C)C(=O)N 270004a_100000119354_200011216720 [0,1,0,1,0,0|2,0,0]=4 2223 B18R1.61816 CCCCCCCCCN1CCC[C@@]1(C)C(=O)O 269956a_100009816582_100000210670 [0,1,0,1,0,0|1,0,0]=3 2224 B18R1.61816 C[C@]1(CCCN1CCCCCCCCO)C(=O)O 269956a_100009816582_100000033203 [0,1,0,1,0,0|2,0,0]=4 2225 B18R1.94704 CC1(CCCCN1CCCCCCCO)C(=O)O 269956a_100000698061_100000760002 [0,1,0,1,0,0|2,0,0]=4 2226 B18R1.94704 CCCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100000210759 [0,1,0,1,0,0|1,0,0]=3 2227 B18R1.94704 COCCCCCCN1CCCCC1(C)C(=O)O 269956a_100000698061_100011998445 [0,1,0,1,0,0|2,0,0]=4 2228 B18R2.7066 O=C(O)[C@@H]1CC[C@@H](C1)NCCCC2CCCC2 269956a_100015195206_100011713738 [0,0,0,2,0,0|2,0,0]=4 2229 B18R2.7110 O=C(O)C1CCCC(C1)NCCC2CCCC2 269956a_100011216634_100000760354 [0,0,0,2,0,0|2,0,0]=4 2230 B18R2.562654 CC1(CCCCN1CCC2CCCC2)C(=O)O 269956a_100000698061_100000760354 [0,0,0,2,0,0|2,0,0]=4 2231 B18R2.562881 C[C@]1(CCCN1CCCC2CCCC2)C(=O)O 269956a_100009816582_100011713738 [0,0,0,2,0,0|2,0,0]=4 2232 B18R2.7060 O=C(O)[C@@H]1CC[C@@H](C1)NCCC2CCCCC2 269956a_100015195206_100011273959 [0,0,0,2,0,0|2,0,0]=4 2233 B18R2.7107 O=C(O)C1CCCC(C1)NCC2CCCCC2 269956a_100011216634_100000211423 [0,0,0,2,0,0|2,0,0]=4 2234 B18R2.70994 CC1(CCCCN1CC2CCCCC2)C(=O)O 269956a_100000698061_100000211423 [0,0,0,2,0,0|2,0,0]=4 2235 B18R2.71018 O=C(O)[C@H]1C[C@H](C1)NCCCC2CCCCC2 269956a_100000738708_100011713725 [0,0,0,2,0,0|2,0,0]=4 2236 B18R2.72213 C[C@]1(CCCN1CCC2CCCCC2)C(=O)O 269956a_100009816582_100011273959 [0,0,0,2,0,0|2,0,0]=4 2237 B18R2.71389 O=C(O)[C@@H]1CC[C@@H](C1)NCC2CCCCCC2 269956a_100015195206_200000696569 [0,0,0,2,0,0|2,0,0]=4 2238 B18R2.71716 O=C(O)C1CCCC(C1)NC2CCCCCC2 269956a_100011216634_100011217769 [0,0,0,2,0,0|2,0,0]=4 2239 B18R2.562650 CC1(CCCCN1C2CCCCCC2)C(=O)O 269956a_100000698061_100011217769 [0,0,0,2,0,0|2,0,0]=4 2240 B18R2.562877 C[C@]1(CCCN1CC2CCCCCC2)C(=O)O 269956a_100009816582_200000696569 [0,0,0,2,0,0|2,0,0]=4 2241 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [0,0,0,0,0,2|2,0,0]=4 2242 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [0,0,0,0,0,2|1,0,0]=3 2243 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [0,0,0,0,0,2|2,0,0]=4 2244 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [0,0,0,0,0,2|2,0,0]=4 2245 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [0,0,0,0,0,2|1,0,1]=4 2246 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [0,0,0,0,0,2|2,0,0]=4 2247 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [0,0,0,0,0,2|2,0,0]=4 2248 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [0,0,0,0,0,2|1,0,1]=4 2249 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [0,0,0,0,0,2|1,0,1]=4 2250 B18R0.19183 CCCCCCCCCCNCC(O)COC(=O)C 34a_100000684558_200000139349 [0,0,0,0,0,2|2,0,0]=4 2251 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 34a_100000210711_200000139349 [0,0,0,0,0,2|2,0,0]=4 2252 B18R0.19183 CCCCCCCCCCOCC(O)COC(=O)C 7a_100000210711_200000139349 [0,0,0,0,0,2|2,0,0]=4 2253 B18R0.19183 CCCCCCCCCCSCC(O)COC(=O)C 62a_200000139349_100000210320 [0,0,0,0,0,2|2,0,0]=4