0 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100000210736 [0,0,0,0,0,0|3,0,0]=3 1 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100000210736 [0,0,0,0,0,0|3,0,0]=3 2 B18R0.7795 CCCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100000210736 [0,0,0,0,0,0|3,0,0]=3 3 B18R0.7795 CCCCCCCCCCCC(C)OCC(O)CC 34a_100011217895_100011218378 [0,0,0,0,0,0|2,0,1]=3 4 B18R0.7795 CCCCCCCCCCCC(C)OCC(O)CC 7a_100011217895_100011218378 [0,0,0,0,0,0|2,0,1]=3 5 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 11a_100000684558_100000701222 [0,0,0,0,0,0|4,0,0]=4 6 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 1626a_100000684558_100000701222 [0,0,0,0,0,0|4,0,0]=4 7 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 240690a_100000684558_100000701222 [0,0,0,0,0,0|4,0,0]=4 8 B18R0.7795 CCCCCCCCCCNC(=O)CCC(C)CC 527a_100000684558_100000701222 [0,0,0,0,0,0|4,0,0]=4 9 B18R0.7795 NCCNCCCCCOCC(=O)NCC(O)CO 34a_103619048469_200012027429 [0,0,0,0,0,0|4,0,0]=4 10 B18R0.7795 O=C(CNCCCCCCCCO)NCC(O)CO 2230a_102515433106_200012027429 [0,0,0,0,0,0|3,0,0]=3 11 B18R0.7795 O=C(CNCCCCCCCCO)NCC(O)CO 34a_102515433106_200012027429 [0,0,0,0,0,0|3,0,0]=3 12 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@H](O)CO 2708a_100000078944_100020644852 [0,0,0,0,0,0|3,0,0]=3 13 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@H](O)CO 273464a_100000078944_100020644852 [0,0,0,0,0,0|3,0,0]=3 14 B18R0.7795 O=C(NCCCCCCCCCO)NC[C@H](O)CO 273464a_100020644852_100000078944 [0,0,0,0,0,0|3,0,0]=3 15 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_100000210736_100000730704 [1,0,0,0,0,0|2,0,1]=4 16 B17R0.192 C=C(C)CCC(=O)CCCCCCCCCCC 1458a_200000688413_100011215454 [1,0,0,0,0,0|2,0,1]=4 17 B17R0.192 CCCCCCCCCCCC(=O)C=CC(C)C 1458a_100016268746_100011215454 [1,0,0,0,0,0|2,0,1]=4 18 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100011215454 [1,0,0,0,0,0|2,0,0]=3 19 B17R0.192 CCCCCCCCCCCC(=O)CCC(C)C 1458a_100000210736_100000210312 [1,0,0,0,0,0|2,0,0]=3 20 B17R0.192 CCCCCCCCCCCC(=O)CSC(C)C 1458a_100000241585_100011215454 [1,0,0,0,0,0|3,0,0]=4 21 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 34a_100011217895_100000210624 [1,0,0,0,0,0|2,0,1]=4 22 B17R0.192 CCCCCCCCCCCC(C)OCC(C)C 7a_100011217895_100000210760 [1,0,0,0,0,0|2,0,1]=4 23 B17R0.195 CCCCCCCCCCCCOCC(C)CC 34a_100000210810_100000748023 [1,0,0,0,0,0|2,0,1]=4 24 B17R0.195 CCCCCCCCCCCCOCC(C)CC 7a_100000210810_100000748023 [1,0,0,0,0,0|2,0,1]=4 25 B17R0.195 CCCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100000759014 [1,0,0,0,0,0|2,0,1]=4 26 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 34a_100000210810_100009816398 [1,0,0,0,0,0|2,0,1]=4 27 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100000210810_100009816398 [1,0,0,0,0,0|2,0,1]=4 28 B17R0.195 CCCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100000759014 [1,0,0,0,0,0|2,0,1]=4 29 B17R0.195 CCCCCCCCCCCCSCC(O)CC 62a_100011218378_100000759014 [1,0,0,0,0,0|1,1,1]=4 30 B17R0.195 CCCCCCCCCCCCSC[C@@H](C)CO 62a_100000059175_100000759014 [1,0,0,0,0,0|1,1,1]=4 31 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000731252 [1,0,0,0,0,0|2,0,1]=4 32 B17R0.3110 C#CCCCC(=O)CCCCCCCCCCC 1458a_100000690238_100011215454 [1,0,0,0,0,0|2,0,1]=4 33 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000757094 [1,0,0,0,0,0|2,0,1]=4 34 B17R0.3110 C=CCCCC(=O)CCCCCCCCCCC 1458a_100000766728_100011215454 [1,0,0,0,0,0|2,0,1]=4 35 B17R0.3110 CCCC#CC(=O)CCCCCCCCCCC 1458a_200011218047_100011215454 [1,0,0,0,0,0|2,0,1]=4 36 B17R0.3110 CCCC=CC(=O)CCCCCCCCCCC 1458a_100000212230_100011215454 [1,0,0,0,0,0|2,0,1]=4 37 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000075515_100011215454 [1,0,0,0,0,0|2,0,1]=4 38 B17R0.3110 CCCCCCCCCCCC(=O)CCCC#N 1458a_100000210736_100000211468 [1,0,0,0,0,0|2,0,1]=4 39 B17R0.3110 CCCCCCCCCCCC(=O)CCCCF 1458a_100000210736_100000729493 [1,0,0,0,0,0|2,0,0]=3 40 B17R0.3110 CCCCCCCCCCCC(=O)CCCSC 1458a_100000173376_100011215454 [1,0,0,0,0,0|3,0,0]=4 41 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000210736_100000757381 [1,0,0,0,0,0|3,0,0]=4 42 B17R0.3110 CCCCCCCCCCCC(=O)CCSCC 1458a_100000230768_100011215454 [1,0,0,0,0,0|3,0,0]=4 43 B17R0.3110 CCCCCCCCCCCC(=O)CSCCC 1458a_100000217233_100011215454 [1,0,0,0,0,0|3,0,0]=4 44 B17R0.3110 CCCCCCCCCCCC(=O)OCSCC 62a_100000210202_100020644155 [1,0,0,0,0,0|2,0,0]=3 45 B17R0.3110 CCCCCCCCCCCC(=O)OCSCF 62a_100015361967_100020644155 [1,0,0,0,0,0|2,0,0]=3 46 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 34a_100011217895_100011934791 [1,0,0,0,0,0|2,0,1]=4 47 B17R0.3110 CCCCCCCCCCCC(C)OCCCF 7a_100011217895_100011934791 [1,0,0,0,0,0|2,0,1]=4 48 B17R0.3110 CCCCCCCCCSCC(=O)CCCCC 62a_200012276598_100000210670 [1,0,0,0,0,0|3,0,0]=4 49 B17R0.12415 CCCCCCCCCCC(=O)CCC(C)CC 1458a_100000701222_100000210319 [1,0,0,0,0,0|3,0,0]=4 50 B17R0.12415 O=C(CNCCCCCCCO)NCC(O)CO 2230a_100011996573_200012027429 [1,0,0,0,0,0|3,0,0]=4 51 B17R0.12415 O=C(CNCCCCCCCO)NCC(O)CO 34a_100011996573_200012027429 [1,0,0,0,0,0|3,0,0]=4 52 B17R0.12415 O=C(NCCCCCCCCO)NC[C@H](O)CO 2708a_102515433106_100020644852 [1,0,0,0,0,0|3,0,0]=4 53 B17R0.12415 O=C(NCCCCCCCCO)NC[C@H](O)CO 273464a_100020644852_102515433106 [1,0,0,0,0,0|3,0,0]=4 54 B17R0.12415 O=C(NCCCCCCCCO)NC[C@H](O)CO 273464a_102515433106_100020644852 [1,0,0,0,0,0|3,0,0]=4 55 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 11a_100000753921_100000210736 [0,1,0,0,0,0|3,0,0]=4 56 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 1626a_100000753921_100000210736 [0,1,0,0,0,0|3,0,0]=4 57 B19R0.154 CCCCCCCCCCCC(=O)N(C)CC(C)CC 240690a_100000753921_100000210736 [0,1,0,0,0,0|3,0,0]=4 58 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 11a_100020588543_100011215791 [0,1,0,0,0,0|3,0,0]=4 59 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 1626a_100020588543_100011215791 [0,1,0,0,0,0|3,0,0]=4 60 B19R0.18068 CCCCCCCCCCCCC(=O)NCC(C)CC 240690a_100020588543_100011215791 [0,1,0,0,0,0|3,0,0]=4 61 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 11a_200011215754_100000701222 [0,1,0,0,0,0|3,0,0]=4 62 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 1626a_200011215754_100000701222 [0,1,0,0,0,0|3,0,0]=4 63 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 240690a_200011215754_100000701222 [0,1,0,0,0,0|3,0,0]=4 64 B19R0.18068 CCCCCCCCCCCNC(=O)CCC(C)CC 527a_200011215754_100000701222 [0,1,0,0,0,0|3,0,0]=4 65 B19R0.18068 O=C(CNCCCCCCCCCO)NCC(O)CO 2230a_100000078944_200012027429 [0,1,0,0,0,0|2,0,0]=3 66 B19R0.18068 O=C(CNCCCCCCCCCO)NCC(O)CO 34a_100000078944_200012027429 [0,1,0,0,0,0|2,0,0]=3 67 B19R0.18068 O=C(NCCCCCCCCCCO)NC[C@H](O)CO 2708a_100000066964_100020644852 [0,1,0,0,0,0|2,0,0]=3 68 B19R0.18068 O=C(NCCCCCCCCCCO)NC[C@H](O)CO 273464a_100000066964_100020644852 [0,1,0,0,0,0|2,0,0]=3 69 B19R0.18068 O=C(NCCCCCCCCCCO)NC[C@H](O)CO 273464a_100020644852_100000066964 [0,1,0,0,0,0|2,0,0]=3 70 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 11a_100102946423_100000210736 [0,1,0,0,0,0|3,0,0]=4 71 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 1626a_100102946423_100000210736 [0,1,0,0,0,0|3,0,0]=4 72 B19R0.22875 CCCCCCCCCCCC(=O)NCC(CC)CC 240690a_100102946423_100000210736 [0,1,0,0,0,0|3,0,0]=4 73 B19R0.25692 CCCCCCCCCCCC(C)OCC(C)(C)CO 34a_100011217895_100009813988 [0,1,0,0,0,0|2,0,1]=4 74 B19R0.25692 CCCCCCCCCCCC(C)OCC(C)(C)CO 7a_100011217895_100009813988 [0,1,0,0,0,0|2,0,1]=4 75 B19R1.55078 CCCCCCCCCCCC(C)OCC1CCO1 34a_100011217895_100000103362 [0,0,0,1,0,0|2,0,1]=4 76 B19R1.55078 CCCCCCCCCCCC(C)OCC1CCO1 7a_100011217895_100000103362 [0,0,0,1,0,0|2,0,1]=4 77 B19R1.142049 CCCCCCCCCCCC(C)OCC1(CO1)C 34a_100011217895_100000760498 [0,0,0,1,0,0|2,0,1]=4 78 B17R0.13601 C=CC(C)CC(=O)CCCCCCCCCCC 1458a_100011934298_100011215454 [0,0,0,0,1,0|2,0,1]=4 79 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000210736_100000748023 [0,0,0,0,1,0|2,0,0]=3 80 B17R0.13601 CCCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100011215454 [0,0,0,0,1,0|2,0,0]=3 81 B17R0.13601 CCCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210736_100009816398 [0,0,0,0,1,0|2,0,0]=3 82 B19R0.9202 C#CC(C)SCOC(=O)CCCCCCCCCCC 62a_200000035995_100020644155 [0,0,0,0,0,1|2,0,1]=4 83 B19R0.9202 C=CC(C)OCOC(=O)CCCCCCCCCCC 34a_100000695699_100020644155 [0,0,0,0,0,1|2,0,1]=4 84 B19R0.9202 C=CC(C)SCOC(=O)CCCCCCCCCCC 62a_100011215867_100020644155 [0,0,0,0,0,1|2,0,1]=4 85 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 11a_100020591266_100000210736 [0,0,0,0,0,1|3,0,0]=4 86 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 1626a_100020591266_100000210736 [0,0,0,0,0,1|3,0,0]=4 87 B19R0.9202 CCCCCCCCCCCC(=O)NCCC(C)CC 240690a_100020591266_100000210736 [0,0,0,0,0,1|3,0,0]=4 88 B19R0.9202 CCCCCCCCCCCC(=O)OCOC(C)CC 7a_100000210228_100020644155 [0,0,0,0,0,1|2,0,0]=3 89 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)C#N 62a_100000703298_100020644155 [0,0,0,0,0,1|2,0,1]=4 90 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)CC 62a_100000758301_100020644155 [0,0,0,0,0,1|2,0,0]=3 91 B19R0.9202 CCCCCCCCCCCC(=O)OCSC(C)OC 62a_100009879195_100020644155 [0,0,0,0,0,1|3,0,0]=4 92 B16R0.274 CCCCCCCCCCCCOCC(C)Br 34a_100012180447_100000759014 [2,0,0,0,0,0|1,0,1]=4 93 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210257_100000759014 [2,0,0,0,0,0|1,0,1]=4 94 B16R0.274 CCCCCCCCCCCCOCC(C)C 34a_100000210810_100000210624 [2,0,0,0,0,0|1,0,1]=4 95 B16R0.274 CCCCCCCCCCCCOCC(C)C 7a_100000210810_100000210760 [2,0,0,0,0,0|1,0,1]=4 96 B16R0.274 CCCCCCCCCCCCOCC(C)F 34a_100015925927_100000759014 [2,0,0,0,0,0|1,0,1]=4 97 B16R0.274 CCCCCCCCCCCCOC[C@@H](C)Cl 34a_100016084084_100000759014 [2,0,0,0,0,0|1,0,1]=4 98 B16R0.274 CCCCCCCCCCCCSCC(C)O 62a_100011218427_100000759014 [2,0,0,0,0,0|0,1,1]=4 99 B16R0.274 CCCCCCCCCCCCSC[C@@H](C)O 62a_100009817552_100000759014 [2,0,0,0,0,0|0,1,1]=4 100 B16R0.274 CCCCCCCCCCCSCCC(C)O 62a_100012276601_100011215454 [2,0,0,0,0,0|2,0,0]=4 101 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000210736_100000754431 [2,0,0,0,0,0|1,0,1]=4 102 B16R0.661 C=CCCC(=O)CCCCCCCCCCC 1458a_100000749702_100011215454 [2,0,0,0,0,0|1,0,1]=4 103 B16R0.661 CCC=CC(=O)CCCCCCCCCCC 1458a_100000212282_100011215454 [2,0,0,0,0,0|1,0,1]=4 104 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210183_100011215454 [2,0,0,0,0,0|1,0,0]=3 105 B16R0.661 CCCCCCCCCCCC(=O)CCCC 1458a_100000210736_100000210211 [2,0,0,0,0,0|1,0,0]=3 106 B16R0.661 CCCCCCCCCCCC(=O)CCCF 1458a_100000210736_100011934791 [2,0,0,0,0,0|1,0,0]=3 107 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000174002_100011215454 [2,0,0,0,0,0|2,0,0]=4 108 B16R0.661 CCCCCCCCCCCC(=O)CCSC 1458a_100000210736_100000751147 [2,0,0,0,0,0|2,0,0]=4 109 B16R0.661 CCCCCCCCCCCC(=O)CSCC 1458a_100000230394_100011215454 [2,0,0,0,0,0|2,0,0]=4 110 B16R0.661 CCCCCCCCCCCC(C)OCCC 34a_100011217895_100000210303 [2,0,0,0,0,0|1,0,1]=4 111 B16R0.661 CCCCCCCCCCCC(C)OCCC 7a_100011217895_100000210303 [2,0,0,0,0,0|1,0,1]=4 112 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000181311_100000210319 [2,0,0,0,0,0|2,0,0]=4 113 B16R0.3183 CCCCCCCCCCC(=O)CCC(C)C 1458a_100000210375_100000210312 [2,0,0,0,0,0|2,0,0]=4 114 B16R0.221 CCCCCCCCCCCOCC(C)CC 34a_100000210809_100000748023 [2,0,0,0,0,0|2,0,0]=4 115 B16R0.221 CCCCCCCCCCCOCC(C)CC 7a_100000210809_100000748023 [2,0,0,0,0,0|2,0,0]=4 116 B16R0.221 CCCCCCCCCCCOCC(Cl)CCl 34a_100000033668_100011215454 [2,0,0,0,0,0|2,0,0]=4 117 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 34a_100000210809_100009816398 [2,0,0,0,0,0|2,0,0]=4 118 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 7a_100000210809_100009816398 [2,0,0,0,0,0|2,0,0]=4 119 B16R0.221 CCCCCCCCCCCOC[C@@H](C)CC 7a_100009816381_100011215454 [2,0,0,0,0,0|2,0,0]=4 120 B16R0.221 CCCCCCCCCCCSCC(O)CC 62a_100011218378_100011215454 [2,0,0,0,0,0|1,1,0]=4 121 B16R0.303 CCCCCCCCCCCCOCCCBr 34a_100011217188_100000759014 [2,0,0,0,0,0|1,0,1]=4 122 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210227_100000759014 [2,0,0,0,0,0|1,0,1]=4 123 B16R0.303 CCCCCCCCCCCCOCCCC 34a_100000210810_100000210210 [2,0,0,0,0,0|1,0,1]=4 124 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210227_100000759014 [2,0,0,0,0,0|1,0,1]=4 125 B16R0.303 CCCCCCCCCCCCOCCCC 7a_100000210810_100000210211 [2,0,0,0,0,0|1,0,1]=4 126 B16R0.303 CCCCCCCCCCCCOCCCCl 34a_100000230001_100000759014 [2,0,0,0,0,0|1,0,1]=4 127 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000210810_100011934791 [2,0,0,0,0,0|1,0,1]=4 128 B16R0.303 CCCCCCCCCCCCOCCCF 34a_100000759539_100000759014 [2,0,0,0,0,0|1,0,1]=4 129 B16R0.303 CCCCCCCCCCCCOCCCF 7a_100000210810_100011934791 [2,0,0,0,0,0|1,0,1]=4 130 B16R0.303 CCCCCCCCCCCCSCCCO 62a_100011215043_100000759014 [2,0,0,0,0,0|0,1,1]=4 131 B16R0.303 CCCCCCCCCCCSCCCCO 62a_100000210776_100011215454 [2,0,0,0,0,0|2,0,0]=4 132 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000210375_100000210326 [2,0,0,0,0,0|2,0,0]=4 133 B16R0.68 CCCCCCCCCCC(=O)CCCCC 1458a_100000212188_100000210319 [2,0,0,0,0,0|2,0,0]=4 134 B16R0.68 CCCCCCCCCCC(=O)CCCCF 1458a_100000210375_100000729493 [2,0,0,0,0,0|2,0,0]=4 135 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 11a_100000211541_100000210736 [1,1,0,0,0,0|2,0,0]=4 136 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 1626a_100000211541_100000210736 [1,1,0,0,0,0|2,0,0]=4 137 B18R0.186 CCCCCCCCCCCC(=O)NC(C)C(C)C 240690a_100000211541_100000210736 [1,1,0,0,0,0|2,0,0]=4 138 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 11a_100000747067_100000210736 [1,1,0,0,0,0|2,0,0]=4 139 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 1626a_100000747067_100000210736 [1,1,0,0,0,0|2,0,0]=4 140 B18R0.6543 CCCCCCCCCCCC(=O)N(C)CC(C)C 240690a_100000747067_100000210736 [1,1,0,0,0,0|2,0,0]=4 141 B18R0.7797 CCCCCCCCCCCC(=O)CCC(C)(F)F 1458a_100000030992_100011215454 [1,1,0,0,0,0|2,0,0]=4 142 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 11a_100000743828_100000210736 [1,1,0,0,0,0|2,0,0]=4 143 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 1626a_100000743828_100000210736 [1,1,0,0,0,0|2,0,0]=4 144 B18R0.7797 CCCCCCCCCCCC(=O)NCC(C)(C)C 240690a_100000743828_100000210736 [1,1,0,0,0,0|2,0,0]=4 145 B18R0.7797 CCCCCCCCCCCC(C)OCC(C)(C)O 34a_100011217895_100000764493 [1,1,0,0,0,0|1,0,1]=4 146 B18R0.7797 CCCCCCCCCCCC(C)OCC(C)(C)O 7a_100011217895_100000764493 [1,1,0,0,0,0|1,0,1]=4 147 B18R0.7797 CCCCCCCCCSCC(=O)OCC(C)(C)C 62a_200010402935_100000210670 [1,1,0,0,0,0|2,0,0]=4 148 B18R0.19183 CCCCCCCCCCCCC(=O)CCC(C)O 1458a_100011215791_100012276601 [1,1,0,0,0,0|1,0,0]=3 149 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)C 11a_100000210953_100011215791 [1,1,0,0,0,0|2,0,0]=4 150 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)C 1626a_100000210953_100011215791 [1,1,0,0,0,0|2,0,0]=4 151 B18R0.19183 CCCCCCCCCCCCC(=O)NCC(C)C 240690a_100000210953_100011215791 [1,1,0,0,0,0|2,0,0]=4 152 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 34a_200011215752_100011218427 [1,1,0,0,0,0|1,0,1]=4 153 B18R0.19183 CCCCCCCCCCCCC(C)OCC(C)O 7a_200011215752_100011218427 [1,1,0,0,0,0|1,0,1]=4 154 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 34a_200011215752_100009817552 [1,1,0,0,0,0|1,0,1]=4 155 B18R0.19183 CCCCCCCCCCCCC(C)OC[C@@H](C)O 7a_200011215752_100009817552 [1,1,0,0,0,0|1,0,1]=4 156 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 11a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 157 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 1626a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 158 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 240690a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 159 B18R0.19183 CCCCCCCCCCCNC(=O)CCC(C)C 527a_200011215754_100000181311 [1,1,0,0,0,0|2,0,0]=4 160 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 11a_100000741246_100000210736 [1,1,0,0,0,0|2,0,0]=4 161 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 1626a_100000741246_100000210736 [1,1,0,0,0,0|2,0,0]=4 162 B18R0.45 CCCCCCCCCCCC(=O)NC(C)CCC 240690a_100000741246_100000210736 [1,1,0,0,0,0|2,0,0]=4 163 B18R0.45 CCCCCCCCCCCC(C)OC(C)CCO 34a_100011217895_100009893172 [1,1,0,0,0,0|1,0,1]=4 164 B18R0.45 CCCCCCCCCCCC(C)OC(C)CCO 7a_100011217895_100009893172 [1,1,0,0,0,0|1,0,1]=4 165 B18R0.233 CCCCCCCCCCCC(=O)CCCC(C)O 1458a_100000210736_200000718107 [1,1,0,0,0,0|1,0,0]=3 166 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 11a_100000210545_100000210736 [1,1,0,0,0,0|2,0,0]=4 167 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 1626a_100000210545_100000210736 [1,1,0,0,0,0|2,0,0]=4 168 B18R0.233 CCCCCCCCCCCC(=O)NCCC(C)C 240690a_100000210545_100000210736 [1,1,0,0,0,0|2,0,0]=4 169 B18R0.233 CCCCCCCCCCCC(=O)OCSC(C)C 62a_100000210206_100020644155 [1,1,0,0,0,0|2,0,0]=4 170 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 34a_100011217895_100012276601 [1,1,0,0,0,0|1,0,1]=4 171 B18R0.233 CCCCCCCCCCCC(C)OCCC(C)O 7a_100011217895_100012276601 [1,1,0,0,0,0|1,0,1]=4 172 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000210736_100010269958 [1,1,0,0,0,0|2,0,0]=4 173 B18R0.7792 C#CCCCCC(=O)CCCCCCCCCCC 1458a_100000696528_100011215454 [1,1,0,0,0,0|2,0,0]=4 174 B18R0.7792 C=CCSCOC(=O)CCCCCCCCCCC 62a_100000210623_100020644155 [1,1,0,0,0,0|1,0,1]=4 175 B18R0.7792 CCCCCCCCCCCC(=O)CCCCC#N 1458a_100000210736_100000211819 [1,1,0,0,0,0|2,0,0]=4 176 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 11a_100000209983_100000210736 [1,1,0,0,0,0|2,0,0]=4 177 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 1626a_100000209983_100000210736 [1,1,0,0,0,0|2,0,0]=4 178 B18R0.7792 CCCCCCCCCCCC(=O)NCCCCC 240690a_100000209983_100000210736 [1,1,0,0,0,0|2,0,0]=4 179 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCC 62a_100000210202_100000091854 [1,1,0,0,0,0|1,0,0]=3 180 B18R0.7792 CCCCCCCCCCCC(=O)OCCSCF 62a_100015361967_100000091854 [1,1,0,0,0,0|1,0,0]=3 181 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCC 62a_100000210303_100020644155 [1,1,0,0,0,0|1,0,0]=3 182 B18R0.7792 CCCCCCCCCCCC(=O)OCSCCF 62a_100011217306_100020644155 [1,1,0,0,0,0|1,0,0]=3 183 B18R0.7792 CCCCCCCCCCCC(=O)OCSCSC 62a_100011218213_100020644155 [1,1,0,0,0,0|1,1,0]=4 184 B18R0.7796 CCCCCCCCCCCC(=O)C(O)CCCC 1458a_100000720857_100011215454 [1,1,0,0,0,0|2,0,0]=4 185 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 11a_100000207549_100000210736 [1,1,0,0,0,0|2,0,0]=4 186 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 1626a_100000207549_100000210736 [1,1,0,0,0,0|2,0,0]=4 187 B18R0.7796 CCCCCCCCCCCC(=O)N(C)CCCC 240690a_100000207549_100000210736 [1,1,0,0,0,0|2,0,0]=4 188 B18R0.11006 CCCCCCCCCSC(C)C(=O)OCCCC 62a_100000759602_100000210670 [1,1,0,0,0,0|2,0,0]=4 189 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 11a_100000102301_100011215791 [1,1,0,0,0,0|2,0,0]=4 190 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 1626a_100000102301_100011215791 [1,1,0,0,0,0|2,0,0]=4 191 B18R0.19788 CCCCCCCCCCCCC(=O)NCCCC 240690a_100000102301_100011215791 [1,1,0,0,0,0|2,0,0]=4 192 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 11a_200011215754_100000212188 [1,1,0,0,0,0|2,0,0]=4 193 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 1626a_200011215754_100000212188 [1,1,0,0,0,0|2,0,0]=4 194 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 240690a_200011215754_100000212188 [1,1,0,0,0,0|2,0,0]=4 195 B18R0.19788 CCCCCCCCCCCNC(=O)CCCCC 527a_200011215754_100000212188 [1,1,0,0,0,0|2,0,0]=4 196 B18R0.19788 CCCCCCCCCCSCC(=O)OCCCC 62a_100000211628_100000210320 [1,1,0,0,0,0|1,0,0]=3 197 B18R0.11196 O=C(NCCCCCCCCCO)[C@H](O)[C@H](O)CO 240690a_100000078944_100015448053 [0,1,0,0,1,0|2,0,0]=4 198 B18R0.17236 CCCCCCCCCCCC(=O)CC(C)(O)CC 1458a_200011219800_100011215454 [0,1,0,0,1,0|1,0,0]=3 199 B20R0.8497 CCCCCCCCCCCC(=O)OCC(=O)C(C)CC 1458a_100011192722_100020644155 [0,1,0,0,0,1|2,0,0]=4 200 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CC 2230a_100000741768_100020644155 [0,1,0,0,0,1|2,0,0]=4 201 B20R0.8497 CCCCCCCCCCCC(=O)OCN(C)C(C)CC 269982a_100000741768_100020644155 [0,1,0,0,0,1|2,0,0]=4 202 B20R0.10426 CCCCCCCCCCCC(=O)OCNC(C)C(C)C 2230a_100000211541_100020644155 [0,1,0,0,0,1|2,0,0]=4 203 B20R0.10426 CCCCCCCCCCCC(=O)OCOC(C)C(C)C 7a_100000748068_100020644155 [0,1,0,0,0,1|2,0,0]=4 204 B20R0.10432 CCCCCCCCCCCC(=O)OCSC(C)CC#N 62a_100009813641_100020644155 [0,1,0,0,0,1|2,0,0]=4 205 B20R0.242976 CCCCCCCCCCCC(=O)OCNC(C)(C)CC 2230a_100000211385_100020644155 [0,1,0,0,0,1|2,0,0]=4 206 B20R0.242976 CCCCCCCCCCCC(=O)OCOC(C)(C)CC 7a_100000210230_100020644155 [0,1,0,0,0,1|2,0,0]=4 207 B20R0.242976 CCCCCCCCCCCC(=O)OCOC(C)(C)CCl 7a_100000764493_100020644155 [0,1,0,0,0,1|2,0,0]=4 208 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000210736_100000694398 [1,0,0,1,0,0|2,0,0]=4 209 B18R1.41514 CCCCCCCCCCCC(=O)CCC1CC1 1458a_100000756386_100011215454 [1,0,0,1,0,0|2,0,0]=4 210 B18R1.41516 CCCCCCCCCCCC(=O)C1CC(C1)C 1458a_100000686124_100011215454 [1,0,0,1,0,0|2,0,0]=4 211 B18R1.41516 CCCCCCCCCCCC(=O)C1CC(C1)F 1458a_100000062598_100011215454 [1,0,0,1,0,0|2,0,0]=4 212 B18R1.299062 CCCCCCCCCCCC(=O)[C@H]1CC1(C)C 1458a_100000692687_100011215454 [1,0,0,1,0,0|2,0,0]=4 213 B18R1.1327 CCCCCCCCCCCC(=O)C1=CCCC1 1458a_100000038896_100011215454 [1,0,0,1,0,0|2,0,0]=4 214 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210718_100011215454 [1,0,0,1,0,0|2,0,0]=4 215 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCC1 1458a_100000210736_100000179811 [1,0,0,1,0,0|2,0,0]=4 216 B18R1.1327 CCCCCCCCCCCC(=O)C1CCCS1 1458a_100012002731_100011215454 [1,0,0,1,0,0|1,1,0]=4 217 B18R1.41511 CCCCCCCCCCCC(=O)C1CC1CC 1458a_200011661523_100011215454 [1,0,0,1,0,0|2,0,0]=4 218 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000210736_100000763275 [1,0,0,1,0,0|2,0,0]=4 219 B18R1.41513 CCCCCCCCCCCC(=O)CC1CCC1 1458a_100000763092_100011215454 [1,0,0,1,0,0|2,0,0]=4 220 B18R1.49673 CCCCCCCCCCCC(=O)CC1(CC1)C 1458a_100000112800_100011215454 [0,0,0,1,1,0|2,0,0]=4 221 B20R1.698 CCCCCCCCCCCC(=O)C1CCC(CC1)O 1458a_100000743365_100011215454 [0,0,0,1,0,1|2,0,0]=4 222 B20R1.699 CCCCCCCCCCCC(=O)C1CCCC(C1)O 1458a_100000707227_100011215454 [0,1,0,1,0,0|2,0,0]=4 223 B20R1.8375 CCCCCCCCCCCC(=O)CCC1CCCO1 1458a_100011247709_100011215454 [0,1,0,1,0,0|2,0,0]=4 224 B20R1.788327 CCCCCCCCCCCC(=O)C1CC(C1)COC 1458a_100000138301_100011215454 [0,1,0,1,0,0|2,0,0]=4 225 B20R1.287 CCCCCCCCCCCCC(=O)C1CCC(C1)O 1458a_100000688591_100000759014 [0,1,0,1,0,0|2,0,0]=4 226 B16R0.302 C=C(C)CC(=O)CCCCCCCCCCC 1458a_100000210736_100000748629 [1,0,0,0,1,0|1,0,1]=4 227 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210554_100011215454 [1,0,0,0,1,0|1,0,0]=3 228 B16R0.302 CCCCCCCCCCCC(=O)CC(C)C 1458a_100000210736_100000210624 [1,0,0,0,1,0|1,0,0]=3 229 B16R0.302 CCCCCCCCCCCC(=O)CC(F)F 1458a_100000210736_100011934356 [1,0,0,0,1,0|2,0,0]=4 230 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000210375_100000748023 [1,0,0,0,1,0|2,0,0]=4 231 B16R0.1182 CCCCCCCCCCC(=O)CC(C)CC 1458a_100000708755_100000210319 [1,0,0,0,1,0|2,0,0]=4 232 B16R0.1182 CCCCCCCCCCC(=O)C[C@@H](C)CC 1458a_100000210375_100009816398 [1,0,0,0,1,0|2,0,0]=4 233 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100000210736_100000758301 [0,0,0,0,2,0|2,0,0]=4 234 B16R0.70 CCCCCCCCCCCC(=O)C(C)CC 1458a_100011192722_100011215454 [0,0,0,0,2,0|2,0,0]=4