0 B18R0.13761 CC(=O)CC(C)(C)OCCCCCCCCCCO 7a_100000210262_100009813290 [0,0,0,0,0,0|4,0,0]=4 1 B18R0.13761 CC(C)(CC(=O)N)NCCCCCCCCCCO 2230a_100000763158_100009813290 [0,0,0,0,0,0|4,0,0]=4 2 B18R0.13761 CC(C)(CC(=O)O)NCCCCCCCCCCO 269956a_100000755897_100009813290 [0,0,0,0,0,0|3,0,1]=4 3 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100011215454 [0,0,0,0,0,0|3,0,0]=3 4 B18R0.13761 CCCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215454 [0,0,0,0,0,0|2,0,1]=3 5 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100011215791_100000187820 [1,0,0,0,0,0|3,0,0]=4 6 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)N 1458a_100134613110_100000759014 [1,0,0,0,0,0|3,0,0]=4 7 B17R0.116 CCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100011215791_100020667443 [1,0,0,0,0,0|2,0,0]=3 8 B17R0.116 CCCCCCCCCCCCC(=O)C[N+](=O)[O-] 1458a_100011215791_100000761209 [1,0,0,0,0,0|3,0,0]=4 9 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000227908_100000747473 [1,0,0,0,0,0|1,0,1]=3 10 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215052 [1,0,0,0,0,0|1,0,1]=3 11 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 269982a_100000227908_100000187820 [1,0,0,0,0,0|1,0,1]=3 12 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_100011218549 [1,0,0,0,0,0|1,0,1]=3 13 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000759014 [1,0,0,0,0,0|0,0,2]=3 14 B17R0.116 CCCCCCCCCCCCN(C)CC(=O)[O-] 269982a_100000227908_100020667443 [1,0,0,0,0,0|0,0,1]=2 15 B17R0.116 CCCCCCCCCCCCN(C)C[N+](=O)[O-] 269982a_100000227908_100000761209 [1,0,0,0,0,0|1,0,1]=3 16 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009812471 [1,0,0,0,0,0|2,0,1]=4 17 B17R0.116 CN(CCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009812471 [1,0,0,0,0,0|1,0,2]=4 18 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)N 2230a_100000763158_100000210320 [1,0,0,0,0,0|3,0,0]=4 19 B17R0.6460 CCCCCCCCCCNC(C)(C)CC(=O)O 269956a_100000755897_100000210320 [1,0,0,0,0,0|2,0,1]=4 20 B17R0.6460 CCCCCCCCCCOC(C)(C)CC(=O)C 7a_100000210262_100000210320 [1,0,0,0,0,0|3,0,0]=4 21 B17R0.10075 CCCCCCCCCCOC[N+](C)(C)CCO 7a_100000210711_200010270792 [1,0,0,0,0,0|1,0,2]=4 22 B17R0.10075 CCCCCCCCCCSC[N+](C)(C)CCO 62a_200010270792_100000210320 [1,0,0,0,0,0|1,0,2]=4 23 B19R1.487957 CCCCCCCCCCNCC1(CC1)CC(=O)O 269956a_100020588786_100000210320 [0,0,0,1,0,0|2,0,1]=4 24 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215454 [0,0,0,0,1,0|3,0,0]=4 25 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 2230a_200011215754_100000702505 [0,0,0,0,1,0|3,0,0]=4 26 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100011215454 [0,0,0,0,1,0|3,0,0]=4 27 B17R0.3218 CCCCCCCCCCCNC(C)(C)C(=O)N 34a_200011215754_100000702505 [0,0,0,0,1,0|3,0,0]=4 28 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 34a_100000747739_100011215454 [0,0,0,0,1,0|3,0,0]=4 29 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000210809_100000075568 [0,0,0,0,1,0|3,0,0]=4 30 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)C 7a_100000747739_100011215454 [0,0,0,0,1,0|3,0,0]=4 31 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210809_100000702505 [0,0,0,0,1,0|3,0,0]=4 32 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100011215454 [0,0,0,0,1,0|3,0,0]=4 33 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210809_100000702505 [0,0,0,0,1,0|3,0,0]=4 34 B17R0.3218 CCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100011215454 [0,0,0,0,1,0|3,0,0]=4 35 B17R0.3218 CCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100011215454 [0,0,0,0,1,0|3,0,0]=4 36 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100000210320 [0,0,0,0,1,0|3,0,0]=4 37 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000684558_200009895572 [0,0,0,0,1,0|3,0,0]=4 38 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100000210320 [0,0,0,0,1,0|3,0,0]=4 39 B17R0.3218 CCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100000210320 [0,0,0,0,1,0|2,0,1]=4 40 B17R0.3218 CCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210711_200009895572 [0,0,0,0,1,0|3,0,0]=4 41 B17R0.3218 CCCCCCCCCCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100000210320 [0,0,0,0,1,0|3,0,0]=4 42 B17R0.3218 CCCCCCCCCCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100000210320 [0,0,0,0,1,0|3,0,0]=4 43 B17R0.3218 CCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100000210320 [0,0,0,0,1,0|3,0,0]=4 44 B16R0.61 CCCCCCCCCCCCN(C)CC=O 2230a_100000227908_200015260668 [2,0,0,0,0,0|0,0,1]=3 45 B16R0.61 CCCCCCCCCCCCN(C)CC=O 269982a_100000227908_200015260668 [2,0,0,0,0,0|0,0,1]=3 46 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000210451_100000747473 [2,0,0,0,0,0|1,0,1]=4 47 B16R0.274 CCCCCCCCCCCCNCC(=O)N 2230a_100000711301_100011215052 [2,0,0,0,0,0|1,0,1]=4 48 B16R0.274 CCCCCCCCCCCCNCC(=O)N 34a_100000210451_100000187820 [2,0,0,0,0,0|1,0,1]=4 49 B16R0.274 CCCCCCCCCCCCNCC(=O)O 269956a_100016091260_100000759014 [2,0,0,0,0,0|0,0,2]=4 50 B16R0.274 CCCCCCCCCCCCNCC(=O)[O-] 34a_100000210451_100020667443 [2,0,0,0,0,0|0,0,1]=3 51 B16R0.274 CCCCCCCCCCCCNC[N+](=O)[O-] 34a_100000210451_100000761209 [2,0,0,0,0,0|1,0,1]=4 52 B16R0.274 CCCCCCCCCCCCOCC(=O)C 34a_100000211253_100000759014 [2,0,0,0,0,0|2,0,0]=4 53 B16R0.274 CCCCCCCCCCCCOCC(=O)N 34a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 54 B16R0.274 CCCCCCCCCCCCOCC(=O)N 7a_100000210810_100000187820 [2,0,0,0,0,0|2,0,0]=4 55 B16R0.274 CCCCCCCCCCCCOCC(=O)[O-] 34a_100000210810_100020667443 [2,0,0,0,0,0|1,0,0]=3 56 B16R0.274 CCCCCCCCCCCCOC[N+](=O)[O-] 34a_100000210810_100000761209 [2,0,0,0,0,0|2,0,0]=4 57 B16R0.274 CCCCCCCCCCCCSCC(=O)N 62a_100000747473_100000759014 [2,0,0,0,0,0|2,0,0]=4 58 B16R0.274 CCCCCCCCCCCCSCC(=O)[O-] 62a_100020667443_100000759014 [2,0,0,0,0,0|1,0,0]=3 59 B16R0.274 CCCCCCCCOCCCCCC(=O)[O-] 7a_100102619762_100000210759 [2,0,0,0,0,0|2,0,0]=4 60 B16R0.274 CCOCCCCCCCCCOCC(=O)[O-] 34a_100009875440_100020667443 [2,0,0,0,0,0|2,0,0]=4 61 B16R0.274 O=C([O-])COCCCCCCCCCCCBr 34a_100009812471_100020667443 [2,0,0,0,0,0|2,0,0]=4 62 B16R0.274 O=C([O-])CSCCCCCCCCCCCO 62a_100009812471_100020667443 [2,0,0,0,0,0|2,0,0]=4 63 B16R0.302 CCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000210736_100020667443 [2,0,0,0,0,0|2,0,0]=4 64 B16R0.302 CCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100011215454 [2,0,0,0,0,0|1,0,1]=4 65 B16R0.302 CCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100011215454 [2,0,0,0,0,0|0,0,2]=4 66 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)CC 269982a_100000227908_100000747405 [1,1,0,0,0,0|1,0,1]=4 67 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 2230a_100000189611_100011215052 [1,1,0,0,0,0|1,0,1]=4 68 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 2230a_100000227908_100000183359 [1,1,0,0,0,0|1,0,1]=4 69 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 269982a_100000227908_100000183359 [1,1,0,0,0,0|1,0,1]=4 70 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)NC 270004a_100000189611_100011218549 [1,1,0,0,0,0|1,0,1]=4 71 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000198492_100011215052 [1,1,0,0,0,0|0,0,2]=4 72 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 2230a_100000227908_100000747449 [1,1,0,0,0,0|0,0,2]=4 73 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 269982a_100000227908_100000747449 [1,1,0,0,0,0|0,0,2]=4 74 B18R0.175 CCCCCCCCCCCCN(C)CC(=O)OC 270004a_100000198492_100011218549 [1,1,0,0,0,0|0,0,2]=4 75 B18R0.220 CCCCCCCCCCCCCC(=O)CC(=O)[O-] 1458a_100000756256_100020667443 [1,1,0,0,0,0|2,0,0]=4 76 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 2230a_100000739694_100000210684 [1,1,0,0,0,0|1,0,1]=4 77 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)N 270004a_100000739694_200011215488 [1,1,0,0,0,0|1,0,1]=4 78 B18R0.220 CCCCCCCCCCCCCN(C)CC(=O)O 269956a_100000746989_100000210684 [1,1,0,0,0,0|0,0,2]=4 79 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)N 2230a_100000739694_100009813331 [1,1,0,0,0,0|1,0,1]=4 80 B18R0.220 CN(CCCCCCCCCCCCO)CC(=O)O 269956a_100000746989_100009813331 [1,1,0,0,0,0|0,0,2]=4 81 B18R0.3151 CCCCCCCCCCCCN(CC)CC(=O)O 269956a_100000746405_100000759014 [1,1,0,0,0,0|0,0,2]=4 82 B18R0.3151 CCCCCCCCCCCCN(CO)CC(=O)[O-] 269956a_100016989150_100000759014 [1,1,0,0,0,0|0,0,1]=3 83 B18R0.3151 O=C([O-])CN(CO)CCCCCCCCCCCO 269956a_100016989150_100009812471 [1,1,0,0,0,0|1,0,1]=4 84 B18R0.6543 CCCCCCCCCCCC(C)N(C)CC(=O)N 270004a_100000739694_100011216755 [1,1,0,0,0,0|1,0,1]=4 85 B18R0.19787 CCCCCCCCCCCCC(=O)C(F)C(=O)[O-] 1458a_100011215791_100020610796 [1,1,0,0,0,0|2,0,0]=4 86 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)C 2230a_100000227908_100009814033 [1,1,0,0,0,0|1,0,1]=4 87 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)C 269982a_100000227908_100009814033 [1,1,0,0,0,0|1,0,1]=4 88 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)N 2230a_100000227908_100000702099 [1,1,0,0,0,0|1,0,1]=4 89 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)N 269982a_100000227908_100000184083 [1,1,0,0,0,0|1,0,1]=4 90 B18R0.19787 CCCCCCCCCCCCN(C)C(C)C(=O)O 269956a_100000749554_100000759014 [1,1,0,0,0,0|0,0,2]=4 91 B18R0.19787 CCCCCCCCCCCCN(C)C(F)C(=O)N 2230a_100000227908_100009813875 [1,1,0,0,0,0|1,0,1]=4 92 B18R0.19787 CCCCCCCCCCCCN(C)C(F)C(=O)N 269982a_100000227908_100009813875 [1,1,0,0,0,0|1,0,1]=4 93 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCOC 7a_100000708880_200000210301 [1,1,0,0,0,0|0,0,2]=4 94 B18R0.13760 CCCCCCCCCCCC[N+](C)(C)CCO[13CH3] 7a_100000708880_200025704644 [1,1,0,0,0,0|0,0,2]=4 95 B18R0.13768 CCCCCCCCCCCOC[N+](C)(C)CCO 7a_100000210809_200010270792 [1,1,0,0,0,0|0,0,2]=4 96 B18R0.13768 CCCCCCCCCCCSC[N+](C)(C)CCO 62a_200010270792_100011215454 [1,1,0,0,0,0|0,0,2]=4 97 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000210451_100000702505 [0,1,0,0,1,0|2,0,0]=4 98 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 2230a_100000743658_100011215052 [0,1,0,0,1,0|2,0,0]=4 99 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000210451_100000702505 [0,1,0,0,1,0|2,0,0]=4 100 B18R0.19914 CCCCCCCCCCCCNC(C)(C)C(=O)N 34a_100000743658_100000759014 [0,1,0,0,1,0|2,0,0]=4 101 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100000210810_100000702505 [0,1,0,0,1,0|2,0,0]=4 102 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 34a_100011626353_100000759014 [0,1,0,0,1,0|2,0,0]=4 103 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100000210810_100000702505 [0,1,0,0,1,0|2,0,0]=4 104 B18R0.19914 CCCCCCCCCCCCOC(C)(C)C(=O)N 7a_100011626353_100000759014 [0,1,0,0,1,0|2,0,0]=4 105 B18R0.19914 CCCCCCCCCCCCSC(C)(C)C(=O)N 62a_100000702505_100000759014 [0,1,0,0,1,0|2,0,0]=4 106 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 2230a_100000740840_100011215454 [0,1,0,0,1,0|2,0,0]=4 107 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_100000740840_100011215454 [0,1,0,0,1,0|2,0,0]=4 108 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)N 34a_200011215754_200009895572 [0,1,0,0,1,0|2,0,0]=4 109 B18R0.19914 CCCCCCCCCCCNCC(C)(C)C(=O)O 269956a_100000693527_100011215454 [0,1,0,0,1,0|1,0,1]=4 110 B18R0.19914 CCCCCCCCCCCOCC(C)(C)C(=O)N 34a_100000210809_200009895572 [0,1,0,0,1,0|2,0,0]=4 111 B18R0.19914 CCCCCCCCCCCOCC(C)(C)[N+](=O)[O-] 34a_100000032158_100011215454 [0,1,0,0,1,0|2,0,0]=4 112 B18R0.19914 CCCCCCCCCCCOCC(C)(C)[N+](=O)[O-] 7a_100000032158_100011215454 [0,1,0,0,1,0|2,0,0]=4 113 B18R0.19914 CCCCCCCCCCCSCC(C)(C)C(=O)N 62a_200009895572_100011215454 [0,1,0,0,1,0|2,0,0]=4 114 B18R1.1260 CCCCCCCCCCCCN1CNC(=O)C1 2230a_200000708111_100011215052 [1,0,0,1,0,0|1,0,1]=4 115 B18R1.40319 CCCCCCCC1CCCC1N(C)CC(=O)N 270004a_100000739694_200011216720 [1,0,0,1,0,0|1,0,1]=4 116 B18R1.97396 CN(CC(=O)N)C1CCCCCCCCCCC1 270004a_100000739694_100000210130 [1,0,0,1,0,0|1,0,1]=4 117 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 11a_100000227908_100015343762 [1,0,0,0,1,0|1,0,1]=4 118 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 1626a_100000227908_100015343762 [1,0,0,0,1,0|1,0,1]=4 119 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 240690a_100000227908_100015343762 [1,0,0,0,1,0|1,0,1]=4 120 B16R0.224 CCCCCCCCCCCCN(C)C(=O)C 527a_100000227908_100103153847 [1,0,0,0,1,0|1,0,1]=4 121 B16R0.224 CCCCCCCCCCCO[C@@H](C)C(=O)[O-] 7a_217856618621_100011215454 [1,0,0,0,1,0|2,0,0]=4 122 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)N 2230a_100000711301_200011217028 [1,0,0,0,0,1|2,0,0]=4 123 B18R0.19183 CCCCCCCCCCCCC(C)NCC(=O)O 269956a_100016091260_200011217028 [1,0,0,0,0,1|1,0,1]=4 124 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 34a_200011215752_100000187820 [1,0,0,0,0,1|2,0,0]=4 125 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)N 7a_200011215752_100000187820 [1,0,0,0,0,1|2,0,0]=4 126 B18R0.19183 CCCCCCCCCCCCC(C)OCC(=O)[O-] 34a_200011215752_100020667443 [1,0,0,0,0,1|1,0,0]=3 127 B18R0.19183 CCCCCCCCCCCCC(C)OC[N+](=O)[O-] 34a_200011215752_100000761209 [1,0,0,0,0,1|2,0,0]=4 128 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_100000747473_200011217028 [1,0,0,0,0,1|2,0,0]=4 129 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)N 62a_200011217028_100000747473 [1,0,0,0,0,1|2,0,0]=4 130 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_100020667443_200011217028 [1,0,0,0,0,1|1,0,0]=3 131 B18R0.19183 CCCCCCCCCCCCC(C)SCC(=O)[O-] 62a_200011217028_100020667443 [1,0,0,0,0,1|1,0,0]=3 132 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)C 269982a_100000227908_100000053229 [1,0,0,0,0,1|1,0,1]=4 133 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000227908_100000744528 [1,0,0,0,0,1|1,0,1]=4 134 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 2230a_100000730477_100011215052 [1,0,0,0,0,1|1,0,1]=4 135 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 269982a_100000227908_100000744528 [1,0,0,0,0,1|1,0,1]=4 136 B18R0.19183 CCCCCCCCCCCCN(C)CCC(=O)N 270004a_100000730477_100011218549 [1,0,0,0,0,1|1,0,1]=4 137 B18R0.19183 CCCCCCCCCCCCN(C)COC(=O)C 269982a_100000227908_100000076356 [1,0,0,0,0,1|1,0,1]=4