0 B16R2.402130 CC(=O)NCC1COC2(O1)CCCCC2 11a_200000696787_100015343762 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.402130 CC(=O)NCC1COC2(O1)CCCCC2 1626a_200000696787_100015343762 [0,0,0,0,0,0|2,0,1]=3 2 B16R2.402130 CC(=O)NCC1COC2(O1)CCCCC2 240690a_200000696787_100015343762 [0,0,0,0,0,0|2,0,1]=3 3 B16R2.402130 CC(=O)NCC1COC2(O1)CCCCC2 527a_200000696787_100103153847 [0,0,0,0,0,0|2,0,1]=3 4 B16R2.402130 CC(C)NCC1COC2(O1)CCCCC2 2230a_100138425928_100011219579 [0,0,0,0,0,0|2,0,2]=4 5 B16R2.402130 CC(C)NCC1COC2(O1)CCCCC2 2230a_200000696787_100000210206 [0,0,0,0,0,0|2,0,2]=4 6 B16R2.402130 CC(C)NCC1COC2(O1)CCCCC2 34a_100138425928_100011219579 [0,0,0,0,0,0|2,0,2]=4 7 B16R2.402130 CC(C)OCC1COC2(O1)CCCCC2 34a_100000212225_100011219579 [0,0,0,0,0,0|3,0,1]=4 8 B16R2.402130 CC(C)SCC1COC2(O1)CCCCC2 62a_100000210206_100011219579 [0,0,0,0,0,0|3,0,1]=4 9 B16R2.402130 CC(C)SCC1COC2(O1)CCCCC2 62a_100011219579_100000210206 [0,0,0,0,0,0|3,0,1]=4 10 B15R2.81827 CCNCC1COC2(O1)CCCCC2 2230a_100015525214_100011219579 [1,0,0,0,0,0|1,0,2]=4 11 B15R2.81827 CCNCC1COC2(O1)CCCCC2 2230a_200000696787_100000210202 [1,0,0,0,0,0|1,0,2]=4 12 B15R2.81827 CCOCC1COC2(O1)CCCCC2 34a_100121572206_100011219579 [1,0,0,0,0,0|2,0,1]=4 13 B15R2.81827 CCSCC1COC2(O1)CCCCC2 62a_100000210202_100011219579 [1,0,0,0,0,0|2,0,1]=4 14 B15R2.81827 CCSCC1COC2(O1)CCCCC2 62a_100011219579_100000210202 [1,0,0,0,0,0|2,0,1]=4 15 B15R2.81827 FCSCC1COC2(O1)CCCCC2 62a_100011219579_100015361967 [1,0,0,0,0,0|2,0,1]=4 16 B15R2.81827 FCSCC1COC2(O1)CCCCC2 62a_100015361967_100011219579 [1,0,0,0,0,0|2,0,1]=4 17 B17R2.376032 C=CC(=O)NCC1COC2(O1)CCCCC2 1626a_200000696787_100000185746 [0,1,0,0,0,0|2,0,1]=4 18 B17R2.376032 C=CC(=O)NCC1COC2(O1)CCCCC2 240690a_200000696787_200121576911 [0,1,0,0,0,0|2,0,1]=4 19 B17R2.376032 CC(CN)OCC1COC2(O1)CCCCC2 34a_100000210904_100011219579 [0,1,0,0,0,0|2,0,1]=4 20 B17R2.376032 CCC(=O)NCC1COC2(O1)CCCCC2 11a_200000696787_100000210414 [0,1,0,0,0,0|2,0,1]=4 21 B17R2.376032 CCC(=O)NCC1COC2(O1)CCCCC2 1626a_200000696787_100000210414 [0,1,0,0,0,0|2,0,1]=4 22 B17R2.376032 CCC(=O)NCC1COC2(O1)CCCCC2 240690a_200000696787_100000210414 [0,1,0,0,0,0|2,0,1]=4 23 B17R2.376032 CCC(=O)NCC1COC2(O1)CCCCC2 527a_200000696787_100000210414 [0,1,0,0,0,0|2,0,1]=4 24 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 2708a_100102657272_200000696787 [0,1,0,0,0,0|1,0,1]=3 25 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 2708a_200000696787_106832991635 [0,1,0,0,0,0|1,0,1]=3 26 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 273464a_100102657272_200000696787 [0,1,0,0,0,0|1,0,1]=3 27 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 273464a_200000696787_100102657272 [0,1,0,0,0,0|1,0,1]=3 28 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 512a_106832991638_200000696787 [0,1,0,0,0,0|1,0,1]=3 29 B17R2.376032 CNC(=O)NCC1COC2(O1)CCCCC2 512a_200000696787_100102657272 [0,1,0,0,0,0|1,0,1]=3 30 B17R2.376032 O=C(CO)NCC1COC2(O1)CCCCC2 240690a_200000696787_100000210174 [0,1,0,0,0,0|2,0,1]=4 31 B17R2.376032 O=C(CO)NCC1COC2(O1)CCCCC2 527a_200000696787_100000210174 [0,1,0,0,0,0|2,0,1]=4 32 B17R2.519916 C=C(C)C(=O)CC1COC2(O1)CCCCC2 1458a_100000185857_100011219579 [0,1,0,0,0,0|3,0,0]=4 33 B15R1.5919 CC(=O)OCC(O)COC1CCCCC1 34a_100000210231_200000139349 [0,0,1,0,0,0|3,0,0]=4 34 B15R1.5919 CC(=O)OCC(O)COC1CCCCC1 7a_100000210231_200000139349 [0,0,1,0,0,0|3,0,0]=4 35 B15R1.19032 CCC1(CCCCC1)OCCCC(=O)N 34a_100011216009_100102525003 [0,0,1,0,0,0|3,0,0]=4 36 B15R1.19032 CCC1(CCCCC1)OCCCC(=O)N 7a_100011216009_100102525003 [0,0,1,0,0,0|3,0,0]=4 37 B15R1.19032 CCC1(CCCCC1)OCCNC(=O)N 7a_100011216009_200000034859 [0,0,1,0,0,0|2,0,1]=4 38 B15R1.19032 CCC1(CCCCC1)OCCOC(=O)N 34a_100011216009_200011214921 [0,0,1,0,0,0|3,0,0]=4 39 B15R1.19032 CCC1(CCCCC1)OCCOC(=O)N 7a_100011216009_200011214921 [0,0,1,0,0,0|3,0,0]=4 40 B15R2.83019 CC(=O)CC1COC2(O1)CCCCC2 1458a_100000070787_100011219579 [0,0,0,0,1,0|2,0,0]=3 41 B15R2.83019 CN(C)CC1COC2(O1)CCCCC2 2230a_100102631434_100011219579 [0,0,0,0,1,0|3,0,0]=4 42 B15R2.83019 CN(C)CC1COC2(O1)CCCCC2 269982a_100102631434_100011219579 [0,0,0,0,1,0|3,0,0]=4 43 B17R2.958234 C=C(C)CNCC1COC2(O1)CCCCC2 2230a_200000696787_100000748629 [0,0,0,0,0,1|2,0,1]=4 44 B17R2.958234 C=C(C)COCC1COC2(O1)CCCCC2 34a_100000210245_100011219579 [0,0,0,0,0,1|3,0,0]=4 45 B17R2.958234 C=C(C)CSCC1COC2(O1)CCCCC2 62a_100000748629_100011219579 [0,0,0,0,0,1|3,0,0]=4 46 B17R2.958234 C=C(C)CSCC1COC2(O1)CCCCC2 62a_100011219579_100000211660 [0,0,0,0,0,1|3,0,0]=4 47 B17R2.958234 C=C(F)CNCC1COC2(O1)CCCCC2 2230a_200000696787_100009893438 [0,0,0,0,0,1|2,0,1]=4 48 B17R2.958234 C=C(F)COCC1COC2(O1)CCCCC2 34a_200010262243_100011219579 [0,0,0,0,0,1|3,0,0]=4 49 B17R2.958234 C=C(F)CSCC1COC2(O1)CCCCC2 62a_100000042424_100011219579 [0,0,0,0,0,1|3,0,0]=4 50 B17R2.958234 C=C(F)CSCC1COC2(O1)CCCCC2 62a_100011219579_100000042424 [0,0,0,0,0,1|3,0,0]=4 51 B17R2.958234 CC(=O)COCC1COC2(O1)CCCCC2 34a_100000211253_100011219579 [0,0,0,0,0,1|3,0,0]=4 52 B17R2.958234 C[C@@H](N)COCC1COC2(O1)CCCCC2 34a_100000737577_100011219579 [0,0,0,0,0,1|2,0,1]=4 53 B17R2.958234 NC(=O)CNCC1COC2(O1)CCCCC2 2230a_100000711301_100011219579 [0,0,0,0,0,1|1,0,1]=3 54 B17R2.958234 NC(=O)CNCC1COC2(O1)CCCCC2 2230a_200000696787_100000747473 [0,0,0,0,0,1|1,0,1]=3 55 B17R2.958234 NC(=O)CSCC1COC2(O1)CCCCC2 62a_100000747473_100011219579 [0,0,0,0,0,1|2,0,0]=3 56 B17R2.958234 NC(=O)CSCC1COC2(O1)CCCCC2 62a_100011219579_100000747473 [0,0,0,0,0,1|2,0,0]=3 57 B17R2.958234 O=C(O)CNCC1COC2(O1)CCCCC2 269956a_100016091260_100011219579 [0,0,0,0,0,1|2,0,1]=4 58 B17R2.958234 O=C([O-])CSCC1COC2(O1)CCCCC2 62a_100011219579_100020667443 [0,0,0,0,0,1|3,0,0]=4 59 B17R2.958234 O=C([O-])CSCC1COC2(O1)CCCCC2 62a_100020667443_100011219579 [0,0,0,0,0,1|3,0,0]=4 60 B14R1.422 NC(=O)CCCCOC1CCCCC1 34a_100012022536_100000210327 [1,0,1,0,0,0|2,0,0]=4 61 B14R1.422 NC(=O)CCCCOC1CCCCC1 7a_100012022536_100000210327 [1,0,1,0,0,0|2,0,0]=4 62 B14R1.16462 CC1(CCCCC1)OCCCC(=O)N 34a_100011215885_100102525003 [1,0,1,0,0,0|2,0,0]=4 63 B14R1.16462 CC1(CCCCC1)OCCCC(=O)N 7a_100011215885_100102525003 [1,0,1,0,0,0|2,0,0]=4 64 B14R1.16462 CC1(CCCCC1)OCCNC(=O)N 7a_100011215885_200000034859 [1,0,1,0,0,0|1,0,1]=4 65 B14R1.16462 CC1(CCCCC1)OCCOC(=O)N 34a_100011215885_200011214921 [1,0,1,0,0,0|2,0,0]=4 66 B14R1.16462 CC1(CCCCC1)OCCOC(=O)N 7a_100011215885_200011214921 [1,0,1,0,0,0|2,0,0]=4 67 B14R2.32277 CNCC1COC2(O1)CCCCC2 2230a_106832991635_100011219579 [2,0,0,0,0,0|0,0,2]=4 68 B14R2.32277 CNCC1COC2(O1)CCCCC2 2230a_200000696787_200000210301 [2,0,0,0,0,0|0,0,2]=4 69 B14R2.32277 CNCC1COC2(O1)CCCCC2 34a_100102657272_100011219579 [2,0,0,0,0,0|0,0,2]=4 70 B14R2.32277 CNCC1COC2(O1)CCCCC2 7a_106832991635_100011219579 [2,0,0,0,0,0|0,0,2]=4 71 B14R2.32277 COCC1COC2(O1)CCCCC2 34a_100138415774_100011219579 [2,0,0,0,0,0|1,0,1]=4 72 B14R2.32277 CSCC1COC2(O1)CCCCC2 62a_100011219579_200000210301 [2,0,0,0,0,0|1,0,1]=4 73 B14R2.32277 CSCC1COC2(O1)CCCCC2 62a_200000210301_100011219579 [2,0,0,0,0,0|1,0,1]=4 74 B14R2.32277 [13CH3]NCC1COC2(O1)CCCCC2 2230a_200000696787_200025704644 [2,0,0,0,0,0|0,0,2]=4 75 B14R2.32277 [13CH3]SCC1COC2(O1)CCCCC2 62a_100011219579_200025704644 [2,0,0,0,0,0|1,0,1]=4 76 B14R2.32277 [13CH3]SCC1COC2(O1)CCCCC2 62a_200025704644_100011219579 [2,0,0,0,0,0|1,0,1]=4 77 B16R2.205522 C=CCNCC1COC2(O1)CCCCC2 2230a_100020586998_100011219579 [1,1,0,0,0,0|1,0,1]=4 78 B16R2.205522 C=CCNCC1COC2(O1)CCCCC2 2230a_200000696787_100000210623 [1,1,0,0,0,0|1,0,1]=4 79 B16R2.205522 C=CCOCC1COC2(O1)CCCCC2 34a_200000210373_100011219579 [1,1,0,0,0,0|2,0,0]=4 80 B16R2.205522 C=CCSCC1COC2(O1)CCCCC2 62a_100000210623_100011219579 [1,1,0,0,0,0|2,0,0]=4 81 B16R2.205522 C=CCSCC1COC2(O1)CCCCC2 62a_100011219579_100000210623 [1,1,0,0,0,0|2,0,0]=4 82 B16R2.205522 NCCOCC1COC2(O1)CCCCC2 34a_100000210304_100011219579 [1,1,0,0,0,0|1,0,1]=4 83 B16R2.205522 O=CCNCC1COC2(O1)CCCCC2 2230a_200000696787_200015260668 [1,1,0,0,0,0|1,0,1]=4 84 B16R2.205522 O=CCSCC1COC2(O1)CCCCC2 62a_100011219579_200015260668 [1,1,0,0,0,0|2,0,0]=4 85 B16R2.205522 O=CCSCC1COC2(O1)CCCCC2 62a_200015260668_100011219579 [1,1,0,0,0,0|2,0,0]=4 86 B16R2.245789 C=CC(=O)CC1COC2(O1)CCCCC2 1458a_100000185746_100011219579 [1,1,0,0,0,0|2,0,0]=4 87 B18R2.1386795 CN(CC(=O)N)CC1COC2(O1)CCCCC2 2230a_100000739694_100011219579 [0,1,0,0,0,1|1,0,1]=4 88 B18R2.1386795 NC(=O)CC(=O)CC1COC2(O1)CCCCC2 1458a_100134613110_100011219579 [0,1,0,0,0,1|2,0,0]=4 89 B18R2.1405488 CC(NCC1COC2(O1)CCCCC2)C(=O)N 2230a_200000696787_100000702099 [0,1,0,0,0,1|1,0,1]=4 90 B18R2.1405488 CC(SCC1COC2(O1)CCCCC2)C(=O)N 62a_100000702099_100011219579 [0,1,0,0,0,1|2,0,0]=4 91 B18R2.1405488 CC(SCC1COC2(O1)CCCCC2)C(=O)N 62a_100011219579_100000702099 [0,1,0,0,0,1|2,0,0]=4 92 B18R2.1405488 C[C@@H](NCC1COC2(O1)CCCCC2)C(=O)N 2230a_100000119354_100011219579 [0,1,0,0,0,1|1,0,1]=4 93 B18R2.1405488 C[C@@H](NCC1COC2(O1)CCCCC2)C(=O)N 34a_100000119354_100011219579 [0,1,0,0,0,1|1,0,1]=4 94 B18R2.1405488 C[C@@H](OCC1COC2(O1)CCCCC2)C(=O)N 34a_100000731257_100011219579 [0,1,0,0,0,1|2,0,0]=4 95 B18R2.1405488 C[C@@H](OCC1COC2(O1)CCCCC2)C(=O)N 7a_100000731257_100011219579 [0,1,0,0,0,1|2,0,0]=4 96 B18R2.1405488 NC(=O)C(=O)NCC1COC2(O1)CCCCC2 240690a_200000696787_100011215815 [0,1,0,0,0,1|1,0,1]=4 97 B18R2.1405488 NC(=O)C(F)NCC1COC2(O1)CCCCC2 2230a_200000696787_100009813875 [0,1,0,0,0,1|1,0,1]=4 98 B18R2.1405488 NC(=O)C(F)SCC1COC2(O1)CCCCC2 62a_100009813875_100011219579 [0,1,0,0,0,1|2,0,0]=4 99 B18R2.1405488 NC(=O)C(F)SCC1COC2(O1)CCCCC2 62a_100011219579_100009813875 [0,1,0,0,0,1|2,0,0]=4 100 B18R2.1780475 CNC(=O)CNCC1COC2(O1)CCCCC2 2230a_100000693194_100011219579 [0,1,0,0,0,1|1,0,1]=4 101 B18R2.1780475 CNC(=O)CNCC1COC2(O1)CCCCC2 2230a_200000696787_100000183359 [0,1,0,0,0,1|1,0,1]=4 102 B18R2.1780475 CNC(=O)COCC1COC2(O1)CCCCC2 34a_100000750040_100011219579 [0,1,0,0,0,1|2,0,0]=4 103 B18R2.1780475 CNC(=O)CSCC1COC2(O1)CCCCC2 62a_100000183359_100011219579 [0,1,0,0,0,1|2,0,0]=4 104 B18R2.1780475 CNC(=O)CSCC1COC2(O1)CCCCC2 62a_100011219579_100000183359 [0,1,0,0,0,1|2,0,0]=4 105 B18R2.1328226 NCC(CN)OCC1COC2(O1)CCCCC2 34a_100000031598_100011219579 [0,2,0,0,0,0|1,0,1]=4 106 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 2708a_100015525214_200000696787 [0,2,0,0,0,0|1,0,1]=4 107 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 2708a_200000696787_100015525214 [0,2,0,0,0,0|1,0,1]=4 108 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 273464a_100015525214_200000696787 [0,2,0,0,0,0|1,0,1]=4 109 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 273464a_200000696787_100015525214 [0,2,0,0,0,0|1,0,1]=4 110 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 512a_100015525214_200000696787 [0,2,0,0,0,0|1,0,1]=4 111 B18R2.1630592 CCNC(=O)NCC1COC2(O1)CCCCC2 512a_200000696787_100015525214 [0,2,0,0,0,0|1,0,1]=4 112 B18R2.1630592 CNNC(=O)NCC1COC2(O1)CCCCC2 273464a_200000696787_100016993582 [0,2,0,0,0,0|1,0,1]=4 113 B18R2.1630592 CNNC(=O)NCC1COC2(O1)CCCCC2 512a_100016993582_200000696787 [0,2,0,0,0,0|1,0,1]=4 114 B18R2.1630592 CNNC(=O)NCC1COC2(O1)CCCCC2 512a_200000696787_100016993582 [0,2,0,0,0,0|1,0,1]=4 115 B18R2.2882961 CNC(=O)C(=O)CC1COC2(O1)CCCCC2 1458a_100011218921_100011219579 [0,2,0,0,0,0|2,0,0]=4 116 B14R1.11379 CCC1(CCCCC1)OCCC(=O)N 34a_100011216009_100000731001 [0,0,1,0,1,0|2,0,0]=4 117 B14R1.11379 CCC1(CCCCC1)OCCC(=O)N 7a_100011216009_100000744528 [0,0,1,0,1,0|2,0,0]=4 118 B14R2.36585 CC(=O)CC1COC2(O1)CCCC2 1458a_100000070787_100000199004 [0,0,0,0,2,0|2,0,0]=4 119 B16R1.608 NC(=NCCC(=O)COC1CCCCC1)N 1458a_100000033030_100011935260 [0,0,1,0,0,1|0,0,2]=4 120 B16R2.145022 NC(=O)CSCC1COC2(O1)CCCC2 62a_100000199004_100000747473 [0,0,0,0,1,1|2,0,0]=4 121 B16R2.145022 NC(=O)CSCC1COC2(O1)CCCC2 62a_100000747473_100000199004 [0,0,0,0,1,1|2,0,0]=4 122 B18R2.1904691 NC(=O)CCNCC1COC2(O1)CCCCC2 2230a_200000696787_100000744528 [0,0,0,0,0,2|1,0,1]=4 123 B18R2.1904691 NC(=O)CCOCC1COC2(O1)CCCCC2 34a_100000757172_100011219579 [0,0,0,0,0,2|2,0,0]=4 124 B18R2.1904691 NC(=O)CCOCC1COC2(O1)CCCCC2 7a_100000757172_100011219579 [0,0,0,0,0,2|2,0,0]=4 125 B18R2.1904691 NC(=O)CCSCC1COC2(O1)CCCCC2 62a_100000744528_100011219579 [0,0,0,0,0,2|2,0,0]=4 126 B18R2.1904691 NC(=O)CCSCC1COC2(O1)CCCCC2 62a_100011219579_100000744528 [0,0,0,0,0,2|2,0,0]=4