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269956a_100000746989_100011217483 [0,0,0,0,0,0|1,0,0]=1 12 B11R0.6 CC(=CCCN(C)CC(C)C)C 2230a_100000747067_100011217483 [0,0,0,0,0,0|3,0,1]=4 13 B11R0.6 CC(=CCCN(C)CC(C)C)C 269982a_100000747067_100011217483 [0,0,0,0,0,0|3,0,1]=4 14 B11R0.6 CC(=CCCN(C)CC(C)O)C 2230a_100000227577_100011217483 [0,0,0,0,0,0|2,0,1]=3 15 B11R0.6 CC(=CCCN(C)CC(C)O)C 269982a_100000227577_100011217483 [0,0,0,0,0,0|2,0,1]=3 16 B11R0.6 CC(=CCNC(=O)CC(=O)N)C 527a_100000718196_100134613110 [0,0,0,0,0,0|3,0,1]=4 17 B11R0.6 CC(=CCNC(C)CC(C)C)C 2230a_100000692259_100000761012 [0,0,0,0,0,0|3,0,1]=4 18 B11R0.6 CC(=CCNC(C)CC(C)C)C 34a_100000718196_100000731052 [0,0,0,0,0,0|3,0,1]=4 19 B11R0.6 CC(=CCOC(C)C=C(C)C)C 34a_100000717055_100000761012 [0,0,0,0,0,0|3,0,1]=4 20 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000211805_100000761012 [0,0,0,0,0,0|3,0,1]=4 21 B11R0.6 CC(=CCOC(C)CC(C)C)C 34a_100000753907_100000731052 [0,0,0,0,0,0|3,0,1]=4 22 B11R0.6 CC(=CCOC(C)CC(C)C)C 7a_100000211805_100000761012 [0,0,0,0,0,0|3,0,1]=4 23 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000731052_100000761012 [0,0,0,0,0,0|3,0,1]=4 24 B11R0.6 CC(=CCSC(C)CC(C)C)C 62a_100000761012_100000731052 [0,0,0,0,0,0|3,0,1]=4 25 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100000761012_100020606517 [0,0,0,0,0,0|4,0,0]=4 26 B11R0.6 CC(=CCSC(C)CN(C)C)C 62a_100020606517_100000761012 [0,0,0,0,0,0|4,0,0]=4 27 B11R0.6 CC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_200000210301 [0,0,0,0,0,0|1,0,2]=3 28 B11R0.6 CC(=O)CC(C)CCC=C(C)C 1458a_100000043202_200000210301 [0,0,0,0,0,0|1,0,0]=1 29 B11R0.6 CC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011215641 [0,0,0,0,0,0|2,0,1]=3 30 B11R0.6 CC(=O)NC(C)CCCC(C)C 11a_100000210607_100015343762 [0,0,0,0,0,0|2,0,2]=4 31 B11R0.6 CC(=O)NC(C)CCCC(C)C 1626a_100000210607_100015343762 [0,0,0,0,0,0|2,0,2]=4 32 B11R0.6 CC(=O)NC(C)CCCC(C)C 240690a_100000210607_100015343762 [0,0,0,0,0,0|2,0,2]=4 33 B11R0.6 CC(=O)NC(C)CCCC(C)C 527a_100000210607_100103153847 [0,0,0,0,0,0|2,0,2]=4 34 B11R0.6 CC(=O)NCCN(C)CC(=O)N 2230a_100000739694_100000189650 [0,0,0,0,0,0|4,0,0]=4 35 B11R0.6 CC(=O)NCCN(C)CC(=O)O 269956a_100000746989_100000189650 [0,0,0,0,0,0|3,0,0]=3 36 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100000761012_100009818208 [0,0,0,0,0,0|3,0,0]=3 37 B11R0.6 CC(=O)OC(C)SCC=C(C)C 62a_100009818208_100000761012 [0,0,0,0,0,0|3,0,0]=3 38 B11R0.6 CC(=O)OCCN(C)CC(=O)O 269956a_100000746989_100009814007 [0,0,0,0,0,0|3,0,0]=3 39 B11R0.6 CC(C)CCCN(C)CC(=O)N 2230a_100000739694_100011214892 [0,0,0,0,0,0|2,0,2]=4 40 B11R0.6 CC(C)CCCN(C)CC(=O)O 269956a_100000746989_100011214892 [0,0,0,0,0,0|1,0,2]=3 41 B11R0.6 CC(C)CNCC(O)CC(=O)O 269956a_100011218706_100000210760 [0,0,0,0,0,0|2,0,2]=4 42 B11R0.6 CC(C)OCCN(C)CC(=O)N 2230a_100000739694_100000211751 [0,0,0,0,0,0|3,0,1]=4 43 B11R0.6 CC(C)OCCN(C)CC(=O)O 269956a_100000746989_100000211751 [0,0,0,0,0,0|2,0,1]=3 44 B11R0.6 CC(C)SCCN(C)CC(=O)N 2230a_100000739694_100000730970 [0,0,0,0,0,0|3,0,1]=4 45 B11R0.6 CC(C)SCCN(C)CC(=O)O 269956a_100000746989_100000730970 [0,0,0,0,0,0|2,0,1]=3 46 B11R0.6 CC(O)CCCN(C)CC(=O)O 269956a_100000746989_200000718107 [0,0,0,0,0,0|2,0,2]=4 47 B11R0.6 CN(C)CCCN(C)CC(=O)N 269982a_100000225831_100000187820 [0,0,0,0,0,0|3,0,1]=4 48 B11R0.6 CN(C)CCCN(C)CC(=O)O 269956a_100000746989_100000757444 [0,0,0,0,0,0|2,0,1]=3 49 B11R0.6 CN(C)CCCN(C)CC(=O)[O-] 269982a_100000225831_100020667443 [0,0,0,0,0,0|2,0,2]=4 50 B11R0.6 CN(CCC=C(F)F)CC(=O)N 2230a_100000739694_200009816681 [0,0,0,0,0,0|4,0,0]=4 51 B11R0.6 CN(CCC=C(F)F)CC(=O)O 269956a_100000746989_200009816681 [0,0,0,0,0,0|3,0,0]=3 52 B11R0.6 CN(CCCC(=O)N)CC(=O)O 269956a_100000746989_100102525003 [0,0,0,0,0,0|3,0,1]=4 53 B11R0.6 CN(CCNC(=O)N)CC(=O)O 269956a_100000746989_200000034859 [0,0,0,0,0,0|4,0,0]=4 54 B10R0.3 C#CCC(C)OCC=C(C)C 34a_100000685586_100000761012 [1,0,0,0,0,0|2,0,1]=4 55 B10R0.3 C#CCC(C)OCC=C(C)C 7a_100000685586_100000761012 [1,0,0,0,0,0|2,0,1]=4 56 B10R0.3 C#CCN(C)CCC=C(C)C 2230a_100000225692_100011217483 [1,0,0,0,0,0|2,0,1]=4 57 B10R0.3 C#CCN(C)CCC=C(C)C 34a_100000225692_100011217483 [1,0,0,0,0,0|2,0,1]=4 58 B10R0.3 C/C=C/C(C)OCC=C(C)C 34a_200102604097_100000761012 [1,0,0,0,0,0|2,0,1]=4 59 B10R0.3 C=CCC(=O)CCC=C(C)C 1458a_100000210193_100011217483 [1,0,0,0,0,0|2,0,1]=4 60 B10R0.3 C=CCN(C)CCC=C(C)C 2230a_100000225617_100011217483 [1,0,0,0,0,0|2,0,0]=3 61 B10R0.3 C=CCN(C)CCC=C(C)C 269982a_100000225617_100011217483 [1,0,0,0,0,0|2,0,0]=3 62 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 34a_100000731007_100000761012 [1,0,0,0,0,0|2,0,0]=3 63 B10R0.3 C=CC[C@@H](C)OCC=C(C)C 7a_100000731007_100000761012 [1,0,0,0,0,0|2,0,0]=3 64 B10R0.3 CC(=CCCC(=O)CCO)C 1458a_100011216618_100011217483 [1,0,0,0,0,0|1,0,2]=4 65 B10R0.3 CC(=CCCC(C)OCF)C 34a_100102619829_100015361967 [1,0,0,0,0,0|2,0,1]=4 66 B10R0.3 CC(=CCCC(C)OCF)C 7a_100102619829_100015361967 [1,0,0,0,0,0|2,0,1]=4 67 B10R0.3 CC(=CCCN(C)CC#N)C 2230a_100000748184_100011217483 [1,0,0,0,0,0|2,0,1]=4 68 B10R0.3 CC(=CCCN(C)CCO)C 2230a_100000210263_100011217483 [1,0,0,0,0,0|1,0,1]=3 69 B10R0.3 CC(=CCCN(C)CCO)C 269982a_100000210263_100011217483 [1,0,0,0,0,0|1,0,1]=3 70 B10R0.3 CC(=CCNC(C)CCO)C 34a_100000718196_100009893172 [1,0,0,0,0,0|1,0,1]=3 71 B10R0.3 CC(=CCN[C@@H](C)CC#N)C 2230a_100016994482_100000761012 [1,0,0,0,0,0|2,0,1]=4 72 B10R0.3 CC(=CCN[C@H](C)CCO)C 2230a_100000706166_100000761012 [1,0,0,0,0,0|1,0,1]=3 73 B10R0.3 CC(=CCN[C@H](C)CCO)C 34a_100000706166_100000761012 [1,0,0,0,0,0|1,0,1]=3 74 B10R0.3 CC(=CCOC(C)CCBr)C 34a_100012276601_100000761012 [1,0,0,0,0,0|2,0,1]=4 75 B10R0.3 CC(=CCOC(C)CCO)C 34a_100000753907_100009893172 [1,0,0,0,0,0|1,0,1]=3 76 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100000761012_100009813641 [1,0,0,0,0,0|2,0,1]=4 77 B10R0.3 CC(=CCSC(C)CC#N)C 62a_100009813641_100000761012 [1,0,0,0,0,0|2,0,1]=4 78 B10R0.3 CC(=CCSC(C)CCO)C 62a_100000761012_100009893172 [1,0,0,0,0,0|1,0,1]=3 79 B10R0.3 CC(=CCSC(C)CCO)C 62a_100009893172_100000761012 [1,0,0,0,0,0|1,0,1]=3 80 B10R0.3 CCCC(C)NCC=C(C)C 2230a_100000741246_100000761012 [1,0,0,0,0,0|2,0,1]=4 81 B10R0.3 CCCC(C)NCC=C(C)C 270004a_100000718196_100000211909 [1,0,0,0,0,0|2,0,1]=4 82 B10R0.3 CCCC(C)NCC=C(C)C 34a_100000718196_100000766640 [1,0,0,0,0,0|2,0,1]=4 83 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000753907_100000766640 [1,0,0,0,0,0|2,0,1]=4 84 B10R0.3 CCCC(C)OCC=C(C)C 34a_100000764384_100000761012 [1,0,0,0,0,0|2,0,1]=4 85 B10R0.3 CCCC(C)OCC=C(C)C 7a_100000764384_100000761012 [1,0,0,0,0,0|2,0,1]=4 86 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000761012_100000766640 [1,0,0,0,0,0|2,0,1]=4 87 B10R0.3 CCCC(C)SCC=C(C)C 62a_100000766640_100000761012 [1,0,0,0,0,0|2,0,1]=4 88 B10R0.3 CCCN(C)CCC=C(C)C 2230a_100000747261_100011217483 [1,0,0,0,0,0|2,0,1]=4 89 B10R0.3 CCCN(C)CCC=C(C)C 269982a_100000747261_100011217483 [1,0,0,0,0,0|2,0,1]=4 90 B10R0.3 CCNC(C)CCC=C(C)C 270004a_100015525214_100000765506 [1,0,0,0,0,0|2,0,1]=4 91 B10R0.3 CCOC(C)CCC=C(C)C 34a_100102619829_100000210202 [1,0,0,0,0,0|2,0,1]=4 92 B10R0.3 CCOC(C)CCC=C(C)C 7a_100102619829_100000210202 [1,0,0,0,0,0|2,0,1]=4 93 B10R0.3 CN(C)CCCN(C)CC=O 269982a_100000225831_200015260668 [1,0,0,0,0,0|2,0,1]=4 94 B10R0.3 CNCC(C)CCC=C(C)C 270004a_106832991635_100000033009 [1,0,0,0,0,0|2,0,0]=3 95 B10R0.3 COCC(C)NCC=C(C)C 270004a_100000718196_100000749346 [1,0,0,0,0,0|3,0,0]=4 96 B10R0.3 COCC(C)NCC=C(C)C 34a_100000718196_100000765312 [1,0,0,0,0,0|3,0,0]=4 97 B10R0.3 COCC(C)OCC=C(C)C 34a_100000753907_100000765312 [1,0,0,0,0,0|3,0,0]=4 98 B10R0.3 COCC(C)SCC=C(C)C 62a_100000761012_100000765312 [1,0,0,0,0,0|3,0,0]=4 99 B10R0.3 COCC(C)SCC=C(C)C 62a_100000765312_100000761012 [1,0,0,0,0,0|3,0,0]=4 100 B10R0.3 COC[C@@H](C)NCC=C(C)C 2230a_100000764878_100000761012 [1,0,0,0,0,0|3,0,0]=4 101 B10R0.3 COC[C@@H](C)OCC=C(C)C 34a_100011934205_100000761012 [1,0,0,0,0,0|3,0,0]=4 102 B10R0.3 CSCC(C)NCC=C(C)C 270004a_100000718196_100011216314 [1,0,0,0,0,0|3,0,0]=4 103 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100009818208_100102629194 [1,0,0,0,0,0|3,0,0]=4 104 B10R0.6 C/C=C/CSC(C)OC(=O)C 62a_100102629194_100009818208 [1,0,0,0,0,0|3,0,0]=4 105 B10R0.6 C=CCCCN(C)CC(=O)O 269956a_100000746989_100011713584 [1,0,0,0,0,0|1,0,2]=4 106 B10R0.6 C=COCCN(C)CC(=O)O 269956a_100000746989_100000039644 [1,0,0,0,0,0|2,0,1]=4 107 B10R0.6 CC/C=C\CN(C)CC(=O)O 269956a_100000746989_100103147603 [1,0,0,0,0,0|1,0,2]=4 108 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100000070051_100009818208 [1,0,0,0,0,0|3,0,0]=4 109 B10R0.6 CC=CCSC(C)OC(=O)C 62a_100009818208_100000070051 [1,0,0,0,0,0|3,0,0]=4 110 B10R0.6 CCCCCN(C)CC(=O)O 269956a_100000746989_100000210326 [1,0,0,0,0,0|1,0,2]=4 111 B10R0.6 CCOCCN(C)CC(=O)O 269956a_100000746989_100000210147 [1,0,0,0,0,0|2,0,1]=4 112 B10R0.6 CCSCCN(C)CC(=O)O 269956a_100000746989_100000757381 [1,0,0,0,0,0|2,0,1]=4 113 B10R0.6 CN(CCCC=O)CC(=O)O 269956a_100000746989_200011292268 [1,0,0,0,0,0|2,0,1]=4 114 B10R0.6 COCCCN(C)CC(=O)O 269956a_100000746989_100000740836 [1,0,0,0,0,0|2,0,1]=4 115 B10R0.97 C=C(Br)CCOCC=C(C)C 34a_100009813270_100000761012 [1,0,0,0,0,0|3,0,0]=4 116 B10R0.97 C=C(C)CCNCC=C(C)C 34a_100000718196_100000730704 [1,0,0,0,0,0|3,0,0]=4 117 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000753907_100000730704 [1,0,0,0,0,0|3,0,0]=4 118 B10R0.97 C=C(C)CCOCC=C(C)C 34a_100000764851_100000761012 [1,0,0,0,0,0|3,0,0]=4 119 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000730704_100000761012 [1,0,0,0,0,0|3,0,0]=4 120 B10R0.97 C=C(C)CCSCC=C(C)C 62a_100000761012_100000730704 [1,0,0,0,0,0|3,0,0]=4 121 B10R0.97 C=C(C)COCCC=C(C)C 34a_100000210245_100011217483 [1,0,0,0,0,0|3,0,0]=4 122 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100000748629_100011217483 [1,0,0,0,0,0|3,0,0]=4 123 B10R0.97 C=C(C)CSCCC=C(C)C 62a_100011217483_100000211660 [1,0,0,0,0,0|3,0,0]=4 124 B10R0.97 C=C(F)COCCC=C(C)C 34a_200010262243_100011217483 [1,0,0,0,0,0|3,0,0]=4 125 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100000042424_100011217483 [1,0,0,0,0,0|3,0,0]=4 126 B10R0.97 C=C(F)CSCCC=C(C)C 62a_100011217483_100000042424 [1,0,0,0,0,0|3,0,0]=4 127 B10R0.97 CC(=CCCNCC(=O)N)C 2230a_100000711301_100011217483 [1,0,0,0,0,0|2,0,0]=3 128 B10R0.97 CC(=CCCNCC(=O)O)C 269956a_100016091260_100011217483 [1,0,0,0,0,0|1,0,0]=2 129 B10R0.97 CC(=CCCNCC(C)O)C 2230a_100000210904_100011217483 [1,0,0,0,0,0|2,0,1]=4 130 B10R0.97 CC(=CCCNCC(C)O)C 34a_100000210904_100011217483 [1,0,0,0,0,0|2,0,1]=4 131 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100000747473_100011217483 [1,0,0,0,0,0|2,0,0]=3 132 B10R0.97 CC(=CCCSCC(=O)N)C 62a_100011217483_100000747473 [1,0,0,0,0,0|2,0,0]=3 133 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100011217483_100020667443 [1,0,0,0,0,0|1,0,1]=3 134 B10R0.97 CC(=CCCSCC(=O)[O-])C 62a_100020667443_100011217483 [1,0,0,0,0,0|1,0,1]=3 135 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011217483_100011218427 [1,0,0,0,0,0|2,0,1]=4 136 B10R0.97 CC(=CCCSCC(C)O)C 62a_100011218427_100011217483 [1,0,0,0,0,0|2,0,1]=4 137 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100009817552_100011217483 [1,0,0,0,0,0|2,0,1]=4 138 B10R0.97 CC(=CCCSC[C@@H](C)O)C 62a_100011217483_100009817552 [1,0,0,0,0,0|2,0,1]=4 139 B10R0.97 CC(=CCCSC[N+](=O)[O-])C 62a_100011217483_100000761209 [1,0,0,0,0,0|2,0,1]=4 140 B10R0.97 CC(=CCNCCC(=O)N)C 34a_100000718196_100000731001 [1,0,0,0,0,0|2,0,0]=3 141 B10R0.97 CC(=CCNCCC(C)O)C 2230a_200000755665_100000761012 [1,0,0,0,0,0|2,0,1]=4 142 B10R0.97 CC(=CCNCCC(C)O)C 34a_100000718196_100012276601 [1,0,0,0,0,0|2,0,1]=4 143 B10R0.97 CC(=CCNOCC(=O)O)C 269956a_100000106656_100000761012 [1,0,0,0,0,0|2,0,0]=3 144 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000753907_100000731001 [1,0,0,0,0,0|2,0,0]=3 145 B10R0.97 CC(=CCOCCC(=O)N)C 34a_100000757172_100000761012 [1,0,0,0,0,0|2,0,0]=3 146 B10R0.97 CC(=CCOCCC(=O)N)C 7a_100000757172_100000761012 [1,0,0,0,0,0|2,0,0]=3 147 B10R0.97 CC(=CCOCCC(C)O)C 34a_100000753907_100012276601 [1,0,0,0,0,0|2,0,1]=4 148 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000744528_100000761012 [1,0,0,0,0,0|2,0,0]=3 149 B10R0.97 CC(=CCSCCC(=O)N)C 62a_100000761012_100000744528 [1,0,0,0,0,0|2,0,0]=3 150 B10R0.97 CC(=CCSCCC(C)O)C 62a_100000761012_100012276601 [1,0,0,0,0,0|2,0,1]=4 151 B10R0.97 CC(=CCSCCC(C)O)C 62a_100012276601_100000761012 [1,0,0,0,0,0|2,0,1]=4 152 B10R0.97 CC(=O)CCCCCC(=O)N 1458a_100000070787_100009817443 [1,0,0,0,0,0|2,0,1]=4 153 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000070787_100000210682 [1,0,0,0,0,0|1,0,2]=4 154 B10R0.97 CC(=O)CCCCCC(C)C 1458a_100000766313_200000210301 [1,0,0,0,0,0|1,0,2]=4 155 B10R0.97 CC(=O)CCCCNC(C)C 34a_100138425928_100009817362 [1,0,0,0,0,0|2,0,1]=4 156 B10R0.97 CC(=O)CCCCOC(=O)C 1458a_100000070787_100000033659 [1,0,0,0,0,0|3,0,0]=4 157 B10R0.97 CC(=O)CCCCOC(C)C 34a_100000212225_100009817362 [1,0,0,0,0,0|2,0,1]=4 158 B10R0.97 CC(=O)CCCCSC(=O)C 1458a_100000070787_200010402107 [1,0,0,0,0,0|3,0,0]=4 159 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000210206_100000735457 [1,0,0,0,0,0|2,0,1]=4 160 B10R0.97 CC(=O)CCCCSC(C)C 62a_100000735457_100000210206 [1,0,0,0,0,0|2,0,1]=4 161 B10R0.97 CC(=O)CCCNCC(=O)O 269956a_100016091260_100011215641 [1,0,0,0,0,0|2,0,1]=4 162 B10R0.97 CC(=O)CCOCC=C(C)C 34a_100000759926_100000761012 [1,0,0,0,0,0|2,0,0]=3 163 B10R0.97 CC(=O)CCOCC=C(C)C 7a_100000759926_100000761012 [1,0,0,0,0,0|2,0,0]=3 164 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000053229_100000761012 [1,0,0,0,0,0|2,0,0]=3 165 B10R0.97 CC(=O)CCSCC=C(C)C 62a_100000761012_100000053229 [1,0,0,0,0,0|2,0,0]=3 166 B10R0.97 CC(=O)COCCC=C(C)C 34a_100000211253_100011217483 [1,0,0,0,0,0|2,0,0]=3 167 B10R0.97 CC(=O)NCCCCC(=O)N 11a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 168 B10R0.97 CC(=O)NCCCCC(=O)N 1626a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 169 B10R0.97 CC(=O)NCCCCC(=O)N 240690a_100000696515_100015343762 [1,0,0,0,0,0|3,0,0]=4 170 B10R0.97 CC(=O)NCCCCC(=O)N 527a_100000696515_100103153847 [1,0,0,0,0,0|3,0,0]=4 171 B10R0.97 CC(=O)NCCNCC(=O)O 269956a_100016091260_100000189650 [1,0,0,0,0,0|3,0,0]=4 172 B10R0.97 CC(=O)OCCNCC(=O)O 269956a_100016091260_100009814007 [1,0,0,0,0,0|3,0,0]=4 173 B10R0.97 CC(=O)OCNCC=C(C)C 34a_100000718196_100009813279 [1,0,0,0,0,0|3,0,0]=4 174 B10R0.97 CC(=O)OCOCC=C(C)C 34a_100000753907_100009813279 [1,0,0,0,0,0|3,0,0]=4 175 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000076356_100000761012 [1,0,0,0,0,0|3,0,0]=4 176 B10R0.97 CC(=O)OCSCC=C(C)C 62a_100000761012_100000076356 [1,0,0,0,0,0|3,0,0]=4 177 B10R0.97 CC(C)CCCCCC(=O)[13CH3] 1458a_100000766313_200025704644 [1,0,0,0,0,0|1,0,2]=4 178 B10R0.97 CC(C)CCCNCC(=O)O 269956a_100016091260_100011214892 [1,0,0,0,0,0|1,0,2]=4 179 B10R0.97 CC(C)NCCCCC(=O)N 34a_100000696515_100000210206 [1,0,0,0,0,0|2,0,1]=4 180 B10R0.97 CC(C)NCCOCC(=O)O 269956a_100000700818_100000210206 [1,0,0,0,0,0|2,0,1]=4 181 B10R0.97 CC(C)OCCCCC(=O)N 34a_100012022536_100000210206 [1,0,0,0,0,0|2,0,1]=4 182 B10R0.97 CC(C)OCCCCC(=O)N 7a_100012022536_100000210206 [1,0,0,0,0,0|2,0,1]=4 183 B10R0.97 CC(C)OCCNCC(=O)O 269956a_100016091260_100000211751 [1,0,0,0,0,0|2,0,1]=4 184 B10R0.97 CC(C)SCCNCC(=O)O 269956a_100016091260_100000730970 [1,0,0,0,0,0|2,0,1]=4 185 B10R0.97 CN(C)CCCCCC(=O)N 2230a_100102631434_100009817443 [1,0,0,0,0,0|2,0,1]=4 186 B10R0.97 CN(C)CCCCCC(=O)N 269982a_100102631434_100009817443 [1,0,0,0,0,0|2,0,1]=4 187 B10R0.97 CN(C)CCCNCC(=O)O 269956a_100016091260_100000757444 [1,0,0,0,0,0|2,0,1]=4 188 B10R0.97 O=C(O)CNCCC=C(F)F 269956a_100016091260_200009816681 [1,0,0,0,0,0|3,0,0]=4 189 B12R0.3 CC(CN(C)C)CN(C)CC(=O)O 269956a_100000746989_100015348159 [0,1,0,0,0,0|2,0,1]=4 190 B12R0.66 CN(CCCC(C)(C)O)CC(=O)O 269956a_100000746989_100009888830 [0,1,0,0,0,0|1,0,2]=4 191 B12R0.66 CN(CCC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100016990835 [0,1,0,0,0,0|2,0,1]=4 192 B12R0.66 CN(CCC[Si](C)(C)C)CC(=O)O 269956a_100000746989_100011219597 [0,1,0,0,0,0|1,1,1]=4 193 B12R0.66 CN(CCO[Si](C)(C)C)CC(=O)O 269956a_100000746989_200000032530 [0,1,0,0,0,0|2,1,0]=4 194 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 2230a_100000755907_100011217483 [0,1,0,0,0,0|2,0,1]=4 195 B12R0.140 CC(=CCCN(C)CC(C)(C)O)C 269982a_100000755907_100011217483 [0,1,0,0,0,0|2,0,1]=4 196 B12R0.240 C=C(C)CCOC(C)CC(=O)OC 34a_100000764851_100009817358 [0,1,0,0,0,0|1,0,2]=4 197 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100000730704_100009817358 [0,1,0,0,0,0|1,0,2]=4 198 B12R0.240 C=C(C)CCSC(C)CC(=O)OC 62a_100009817358_100000730704 [0,1,0,0,0,0|1,0,2]=4 199 B12R0.240 CC(=CCCC(=CC(=O)CF)C)C 1458a_100016995320_100015361967 [0,1,0,0,0,0|1,0,2]=4 200 B12R0.240 CC(=CCCC(C)CC(=O)CF)C 1458a_100000043202_100015361967 [0,1,0,0,0,0|1,0,0]=2 201 B12R0.240 CC(=CCCC(C)N[C@H](C)CO)C 270004a_100000737577_100000765506 [0,1,0,0,0,0|2,0,1]=4 202 B12R0.240 CC(=CCCC(C)OC(C)CO)C 34a_100102619829_100012180447 [0,1,0,0,0,0|2,0,1]=4 203 B12R0.240 CC(=CCCC(C)OC(C)CO)C 7a_100102619829_100012180447 [0,1,0,0,0,0|2,0,1]=4 204 B12R0.240 CC(=CCCN(C)CC(O)CO)C 2230a_100011216503_100011217483 [0,1,0,0,0,0|1,0,2]=4 205 B12R0.240 CC(=CCCN(C)CC(O)CO)C 269982a_100011216503_100011217483 [0,1,0,0,0,0|1,0,2]=4 206 B12R0.240 CC(C)CCCC(C)NC(=O)CO 240690a_100000210607_100000210174 [0,1,0,0,0,0|1,0,2]=4 207 B12R0.240 CC(C)CCCC(C)NC(=O)CO 527a_100000210607_100000210174 [0,1,0,0,0,0|1,0,2]=4 208 B12R0.240 CCC(=O)C=C(C)CCC=C(C)C 1458a_100016995320_100000210202 [0,1,0,0,0,0|1,0,2]=4 209 B12R0.240 CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210202 [0,1,0,0,0,0|1,0,0]=2 210 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 11a_106832991635_100016995320 [0,1,0,0,0,0|1,0,2]=4 211 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 1626a_100102657272_100016995320 [0,1,0,0,0,0|1,0,2]=4 212 B12R0.240 CNC(=O)C=C(C)CCC=C(C)C 240690a_100102657272_100016995320 [0,1,0,0,0,0|1,0,2]=4 213 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 11a_106832991635_100000043202 [0,1,0,0,0,0|1,0,0]=2 214 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 1626a_100102657272_100000043202 [0,1,0,0,0,0|1,0,0]=2 215 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 240690a_100102657272_100000043202 [0,1,0,0,0,0|1,0,0]=2 216 B12R0.240 CNC(=O)CC(C)CCC=C(C)C 527a_100102657272_100000043202 [0,1,0,0,0,0|1,0,0]=2 217 B12R0.240 CNC(=O)CN(C)CCC=C(C)C 2230a_100000189611_100011217483 [0,1,0,0,0,0|2,0,0]=3 218 B12R0.240 COC(=O)CC(=O)CCC=C(C)C 1458a_100000211351_100011217483 [0,1,0,0,0,0|1,0,1]=3 219 B12R0.240 COC(=O)CC(C)NCC=C(C)C 34a_100000718196_100009817358 [0,1,0,0,0,0|1,0,0]=2 220 B12R0.240 COC(=O)CC(C)OCC=C(C)C 34a_100000753907_100009817358 [0,1,0,0,0,0|1,0,0]=2 221 B12R0.240 COC(=O)CC(C)OCCC(=O)C 34a_100000759926_100009817358 [0,1,0,0,0,0|2,0,1]=4 222 B12R0.240 COC(=O)CC(C)OCCC(=O)C 7a_100000759926_100009817358 [0,1,0,0,0,0|2,0,1]=4 223 B12R0.240 COC(=O)CC(C)OCCC(C)C 34a_100000210254_100009817358 [0,1,0,0,0,0|1,0,2]=4 224 B12R0.240 COC(=O)CC(C)OCCC(C)C 7a_100000210254_100009817358 [0,1,0,0,0,0|1,0,2]=4 225 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100000761012_100009817358 [0,1,0,0,0,0|1,0,0]=2 226 B12R0.240 COC(=O)CC(C)SCC=C(C)C 62a_100009817358_100000761012 [0,1,0,0,0,0|1,0,0]=2 227 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100000053229_100009817358 [0,1,0,0,0,0|2,0,1]=4 228 B12R0.240 COC(=O)CC(C)SCCC(=O)C 62a_100009817358_100000053229 [0,1,0,0,0,0|2,0,1]=4 229 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100000210312_100009817358 [0,1,0,0,0,0|1,0,2]=4 230 B12R0.240 COC(=O)CC(C)SCCC(C)C 62a_100009817358_100000210312 [0,1,0,0,0,0|1,0,2]=4 231 B12R0.240 COC(=O)CC(C)SCCN(C)C 62a_100009817358_100000755713 [0,1,0,0,0,0|2,0,1]=4 232 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100000076356_100009817358 [0,1,0,0,0,0|3,0,0]=4 233 B12R0.240 COC(=O)CC(C)SCOC(=O)C 62a_100009817358_100000076356 [0,1,0,0,0,0|3,0,0]=4 234 B12R0.240 COC(=O)CC(C)SCOC(C)C 62a_100000709892_100009817358 [0,1,0,0,0,0|2,0,1]=4 235 B12R0.240 COC(=O)CC(C)SCOC(C)C 62a_100009817358_100000709892 [0,1,0,0,0,0|2,0,1]=4 236 B12R0.240 COC(=O)CN(C)CCC=C(C)C 2230a_100000198492_100011217483 [0,1,0,0,0,0|1,0,0]=2 237 B12R0.240 COC(=O)CN(C)CCC=C(F)F 2230a_100000198492_200009816681 [0,1,0,0,0,0|3,0,0]=4 238 B12R0.240 COC(=O)CN(C)CCCC(C)C 2230a_100000198492_100011214892 [0,1,0,0,0,0|1,0,2]=4 239 B12R0.240 COC(=O)CN(C)CCCN(C)C 269982a_100000225831_100000747449 [0,1,0,0,0,0|2,0,1]=4 240 B12R0.240 COC(=O)CN(C)CCNC(=O)C 2230a_100000198492_100000189650 [0,1,0,0,0,0|3,0,0]=4 241 B12R0.240 COC(=O)CN(C)CCOC(C)C 2230a_100000198492_100000211751 [0,1,0,0,0,0|2,0,1]=4 242 B12R0.240 COC(=O)CN(C)CCSC(C)C 2230a_100000198492_100000730970 [0,1,0,0,0,0|2,0,1]=4 243 B12R0.241 CCN(C)CCCN(C)CC(=O)O 269956a_100000746989_100015186262 [0,1,0,0,0,0|2,0,1]=4 244 B12R0.241 CNC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100000741757 [0,1,0,0,0,0|2,0,1]=4 245 B12R0.241 COC(=O)CCCN(C)CC(=O)O 269956a_100000746989_100011218270 [0,1,0,0,0,0|2,0,1]=4 246 B12R0.258 CC(=CCC(=O)N(C)CC(=O)N)C 11a_100000739694_100011220947 [0,1,0,0,0,0|2,0,1]=4 247 B12R0.258 CC(=CCC(=O)N(C)CC(=O)N)C 527a_100000739694_100011220947 [0,1,0,0,0,0|2,0,1]=4 248 B12R0.258 CC(=O)N[C@H](C)C(=O)CC=C(C)C 1458a_100011504603_100000761012 [0,1,0,0,0,0|2,0,1]=4 249 B12R0.258 CC(=O)OC(C)C(=O)CC=C(C)C 1458a_100011220947_100009818208 [0,1,0,0,0,0|2,0,1]=4 250 B12R0.258 CC(=O)O[C@@H](C)C(=O)CC=C(C)C 1458a_100009816467_100000761012 [0,1,0,0,0,0|2,0,1]=4 251 B12R0.258 CC(C)CCC(C)N(C)CC(=O)O 269956a_100000746989_100011261404 [0,1,0,0,0,0|1,0,2]=4 252 B12R0.535 C=C(C)CCN[C@H](CC)CC(=O)O 269956a_100016995926_100000730704 [0,1,0,0,0,0|1,0,2]=4 253 B12R0.535 C=C(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000730704 [0,1,0,0,0,0|1,0,2]=4 254 B12R0.535 C=C(C)CN(CC)CCC=C(C)C 2230a_100000211296_100011217483 [0,1,0,0,0,0|3,0,0]=4 255 B12R0.535 C=C(C)CN(CC)CCC=C(C)C 269982a_100000211296_100011217483 [0,1,0,0,0,0|3,0,0]=4 256 B12R0.535 CC(=CCCN(CO)CC(=O)[O-])C 269956a_100016989150_100011217483 [0,1,0,0,0,0|1,0,1]=3 257 B12R0.535 CC(=CCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100000761012 [0,1,0,0,0,0|1,0,0]=2 258 B12R0.535 CC(=O)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000053229 [0,1,0,0,0,0|2,0,1]=4 259 B12R0.535 CC(=O)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000076356 [0,1,0,0,0,0|3,0,0]=4 260 B12R0.535 CC(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000210312 [0,1,0,0,0,0|1,0,2]=4 261 B12R0.535 CC(C)OCN[C@H](CO)CC(=O)O 269956a_100009816507_100000709892 [0,1,0,0,0,0|2,0,1]=4 262 B12R0.535 CCN(CCC=C(C)C)CC(=O)O 269956a_100000746405_100011217483 [0,1,0,0,0,0|1,0,0]=2 263 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 2230a_100000729506_100011217483 [0,1,0,0,0,0|2,0,1]=4 264 B12R0.535 CCN(CCC=C(C)C)C[C@H](C)O 269982a_100000729506_100011217483 [0,1,0,0,0,0|2,0,1]=4 265 B12R0.535 CCN(CCC=C(F)F)CC(=O)O 269956a_100000746405_200009816681 [0,1,0,0,0,0|3,0,0]=4 266 B12R0.535 CCN(CCCC(=O)C)CC(=O)O 269956a_100000746405_100011215641 [0,1,0,0,0,0|2,0,1]=4 267 B12R0.535 CCN(CCCC(C)C)CC(=O)O 269956a_100000746405_100011214892 [0,1,0,0,0,0|1,0,2]=4 268 B12R0.535 CCN(CCCN(C)C)CC(=O)O 269956a_100000746405_100000757444 [0,1,0,0,0,0|2,0,1]=4 269 B12R0.535 CCN(CCNC(=O)C)CC(=O)O 269956a_100000746405_100000189650 [0,1,0,0,0,0|3,0,0]=4 270 B12R0.535 CCN(CCOC(=O)C)CC(=O)O 269956a_100000746405_100009814007 [0,1,0,0,0,0|3,0,0]=4 271 B12R0.535 CCN(CCOC(C)C)CC(=O)O 269956a_100000746405_100000211751 [0,1,0,0,0,0|2,0,1]=4 272 B12R0.535 CCN(CCSC(C)C)CC(=O)O 269956a_100000746405_100000730970 [0,1,0,0,0,0|2,0,1]=4 273 B12R0.535 CC[C@H](CC(=O)O)NCC=C(C)C 269956a_100016995926_100000761012 [0,1,0,0,0,0|1,0,0]=2 274 B12R0.535 CC[C@H](CC(=O)O)NCCC(=O)C 269956a_100016995926_100000053229 [0,1,0,0,0,0|2,0,1]=4 275 B12R0.535 CC[C@H](CC(=O)O)NCCC(C)C 269956a_100016995926_100000210312 [0,1,0,0,0,0|1,0,2]=4 276 B12R0.535 CC[C@H](CC(=O)O)NCCN(C)C 269956a_100016995926_100000755713 [0,1,0,0,0,0|2,0,1]=4 277 B12R0.535 CC[C@H](CC(=O)O)NCOC(=O)C 269956a_100016995926_100000076356 [0,1,0,0,0,0|3,0,0]=4 278 B12R0.535 CC[C@H](CC(=O)O)NCOC(C)C 269956a_100016995926_100000709892 [0,1,0,0,0,0|2,0,1]=4 279 B12R0.535 CN(C)CCN[C@H](CO)CC(=O)O 269956a_100009816507_100000755713 [0,1,0,0,0,0|2,0,1]=4 280 B12R0.686 CC(=CCCN(C)C(C)C(=O)O)C 269956a_100000749554_100011217483 [0,1,0,0,0,0|1,0,0]=2 281 B12R0.686 CC(=CCOC(C)C(C)[N+](=O)[O-])C 34a_200000034949_100000761012 [0,1,0,0,0,0|2,0,1]=4 282 B12R0.686 CC(=CCOC(C)C(C)[N+](=O)[O-])C 7a_200000034949_100000761012 [0,1,0,0,0,0|2,0,1]=4 283 B12R0.686 CC(=CCO[C@H](C)[C@H](N)C(=O)N)C 34a_100000003557_100000761012 [0,1,0,0,0,0|2,0,0]=3 284 B12R0.686 CC(=O)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011215641 [0,1,0,0,0,0|2,0,1]=4 285 B12R0.686 CC(=O)NCCN(C)C(C)C(=O)O 269956a_100000749554_100000189650 [0,1,0,0,0,0|3,0,0]=4 286 B12R0.686 CC(=O)OCCN(C)C(C)C(=O)O 269956a_100000749554_100009814007 [0,1,0,0,0,0|3,0,0]=4 287 B12R0.686 CC(C(=O)O)N(C)CCC=C(F)F 269956a_100000749554_200009816681 [0,1,0,0,0,0|3,0,0]=4 288 B12R0.686 CC(C(=O)O)N(C)CCCN(C)C 269956a_100000749554_100000757444 [0,1,0,0,0,0|2,0,1]=4 289 B12R0.686 CC(C)CCCN(C)C(C)C(=O)O 269956a_100000749554_100011214892 [0,1,0,0,0,0|1,0,2]=4 290 B12R0.686 CC(C)OCCN(C)C(C)C(=O)O 269956a_100000749554_100000211751 [0,1,0,0,0,0|2,0,1]=4 291 B12R0.686 CC(C)SCCN(C)C(C)C(=O)O 269956a_100000749554_100000730970 [0,1,0,0,0,0|2,0,1]=4 292 B12R0.687 CN(CCC(=C(F)F)F)CC(=O)O 269956a_100000746989_100009813398 [0,1,0,0,0,0|3,0,0]=4 293 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)N 2230a_100000739694_100000737620 [0,1,0,0,0,0|3,0,0]=4 294 B12R0.687 CN(CCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737620 [0,1,0,0,0,0|2,0,0]=3 295 B12R0.697 C=C(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000730704 [0,1,0,0,0,0|1,0,2]=4 296 B12R0.697 CC(=CCNC(C)(C)CC(=O)N)C 2230a_100000763158_100000761012 [0,1,0,0,0,0|2,0,0]=3 297 B12R0.697 CC(=CCNC(C)(C)CC(=O)O)C 269956a_100000755897_100000761012 [0,1,0,0,0,0|1,0,0]=2 298 B12R0.697 CC(=O)CC(C)(C)OCC=C(C)C 7a_100000210262_100000761012 [0,1,0,0,0,0|2,0,0]=3 299 B12R0.697 CC(=O)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000053229 [0,1,0,0,0,0|2,0,1]=4 300 B12R0.697 CC(=O)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000076356 [0,1,0,0,0,0|3,0,0]=4 301 B12R0.697 CC(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000210312 [0,1,0,0,0,0|1,0,2]=4 302 B12R0.697 CC(C)OCNC(C)(C)CC(=O)O 269956a_100000755897_100000709892 [0,1,0,0,0,0|2,0,1]=4 303 B12R0.697 CN(C)CCNC(C)(C)CC(=O)O 269956a_100000755897_100000755713 [0,1,0,0,0,0|2,0,1]=4 304 B12R1.103 CN1CCC(C1)N(C)CC(=O)O 269956a_100000746989_200012183744 [0,0,0,1,0,0|2,0,1]=4 305 B12R1.105 CC(=CCCN1CCC(C1)O)C 2230a_100011215560_100011217483 [0,0,0,1,0,0|2,0,1]=4 306 B12R1.105 CC(=CCCN1CCC(C1)O)C 269982a_100011215560_100011217483 [0,0,0,1,0,0|2,0,1]=4 307 B12R1.105 CC(=CCCN1CNC(=O)C1)C 2230a_200000708111_100011217483 [0,0,0,1,0,0|2,0,0]=3 308 B12R1.105 CC(=CCNC1CCC(C1)O)C 270004a_100000718196_100012614533 [0,0,0,1,0,0|2,0,1]=4 309 B12R1.105 CC(=CCNC1CNC(=O)C1)C 2230a_100000697751_100000761012 [0,0,0,1,0,0|2,0,0]=3 310 B12R1.105 CC(=CCNC1COC(=O)O1)C 34a_100000718196_100000032252 [0,0,0,1,0,0|2,0,0]=3 311 B12R1.105 CC(=CCN[C@H]1CC[C@H](C1)O)C 2230a_100015195300_100000761012 [0,0,0,1,0,0|2,0,1]=4 312 B12R1.105 CC(=CCOC1CCC(=O)C1)C 34a_100012614533_100000761012 [0,0,0,1,0,0|2,0,0]=3 313 B12R1.105 CC(=CCOC1CNC(=O)C1)C 34a_100000690082_100000761012 [0,0,0,1,0,0|2,0,0]=3 314 B12R1.105 CC(=CCOC1COC(=O)O1)C 34a_100000753907_100000032252 [0,0,0,1,0,0|2,0,0]=3 315 B12R1.105 CC(=CCSC1COC(=O)O1)C 62a_100000761012_100000032252 [0,0,0,1,0,0|2,0,0]=3 316 B12R1.389 CC(=O)CC1CCN(C1)C(C)C 1458a_100000070787_100015187125 [0,0,0,1,0,0|2,0,1]=4 317 B12R1.389 CC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000210206 [0,0,0,1,0,0|1,0,1]=3 318 B12R1.1061 CN(CC(=O)O)CC1CC(=O)C1 269956a_100000746989_100009874392 [0,0,0,1,0,0|2,0,1]=4 319 B12R1.1394 C=C(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000748629 [0,0,0,1,0,0|1,0,2]=4 320 B12R1.1394 CC(C)CN1CC(C1)CC(=O)O 269956a_100016993960_100000210760 [0,0,0,1,0,0|1,0,2]=4 321 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 2230a_100000718560_100011217483 [0,0,0,1,0,0|2,0,1]=4 322 B12R1.1810 CC(=CCCN1CC(C1)(C)O)C 269982a_100000718560_100011217483 [0,0,0,1,0,0|2,0,1]=4 323 B12R1.1810 CC(=CCNC1CS(=O)(=O)C1)C 2230a_100000695474_100000761012 [0,0,0,1,0,0|2,0,1]=4 324 B12R1.1810 CC(=CCNC1CS(=O)(=O)C1)C 34a_100000695474_100000761012 [0,0,0,1,0,0|2,0,1]=4 325 B12R1.1810 CC(=CCN[C@H]1C[C@@](C1)(C)O)C 2230a_100121572536_100000761012 [0,0,0,1,0,0|2,0,1]=4 326 B12R1.1810 CC(=CCOC1CS(=O)(=O)C1)C 34a_100000072295_100000761012 [0,0,0,1,0,0|2,0,1]=4 327 B12R1.1810 CC(=CCOC1CS(=O)(=O)C1)C 7a_100000072295_100000761012 [0,0,0,1,0,0|2,0,1]=4 328 B10R0.96 C=C(C)CCN(C)CC(=O)N 2230a_100000739694_100000730704 [0,0,0,0,1,0|2,0,1]=4 329 B10R0.96 C=C(C)CCN(C)CC(=O)O 269956a_100000746989_100000730704 [0,0,0,0,1,0|1,0,1]=3 330 B10R0.96 C=C(C)CN(C)CC=C(C)C 2230a_100000225649_100000761012 [0,0,0,0,1,0|3,0,0]=4 331 B10R0.96 C=C(C)CN(C)CC=C(C)C 269982a_100000225649_100000761012 [0,0,0,0,1,0|3,0,0]=4 332 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100011220947_100000187820 [0,0,0,0,1,0|2,0,1]=4 333 B10R0.96 CC(=CCC(=O)CC(=O)N)C 1458a_100134613110_100000761012 [0,0,0,0,1,0|2,0,1]=4 334 B10R0.96 CC(=CCC(=O)CC(=O)[O-])C 1458a_100011220947_100020667443 [0,0,0,0,1,0|1,0,2]=4 335 B10R0.96 CC(=CCN(C)CC(=O)N)C 2230a_100000739694_100000761012 [0,0,0,0,1,0|2,0,0]=3 336 B10R0.96 CC(=CCN(C)CC(=O)O)C 269956a_100000746989_100000761012 [0,0,0,0,1,0|1,0,0]=2 337 B10R0.96 CC(=CCN(C)CC(C)O)C 2230a_100000227577_100000761012 [0,0,0,0,1,0|2,0,1]=4 338 B10R0.96 CC(=CCN(C)CC(C)O)C 269982a_100000227577_100000761012 [0,0,0,0,1,0|2,0,1]=4 339 B10R0.96 CC(=O)CC(C)CSC(=O)C 1458a_100000070787_200000116872 [0,0,0,0,1,0|3,0,0]=4 340 B10R0.96 CC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000053229 [0,0,0,0,1,0|2,0,0]=3 341 B10R0.96 CC(=O)NC(C)CCC(C)C 11a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 342 B10R0.96 CC(=O)NC(C)CCC(C)C 1626a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 343 B10R0.96 CC(=O)NC(C)CCC(C)C 240690a_100138410893_100015343762 [0,0,0,0,1,0|2,0,1]=4 344 B10R0.96 CC(=O)NC(C)CCC(C)C 527a_100138410893_100103153847 [0,0,0,0,1,0|2,0,1]=4 345 B10R0.96 CC(=O)OCN(C)CC(=O)O 269956a_100000746989_100000076356 [0,0,0,0,1,0|3,0,0]=4 346 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000739694_100000210312 [0,0,0,0,1,0|2,0,1]=4 347 B10R0.96 CC(C)CCN(C)CC(=O)N 2230a_100000742789_100000747473 [0,0,0,0,1,0|2,0,1]=4 348 B10R0.96 CC(C)CCN(C)CC(=O)N 269982a_100000742789_100000187820 [0,0,0,0,1,0|2,0,1]=4 349 B10R0.96 CC(C)CCN(C)CC(=O)O 269956a_100000746989_100000210312 [0,0,0,0,1,0|1,0,1]=3 350 B10R0.96 CC(C)CCN(C)CC(=O)[O-] 269982a_100000742789_100020667443 [0,0,0,0,1,0|1,0,2]=4 351 B10R0.96 CC(C)NCC(O)CC(=O)O 269956a_100011218706_100000210206 [0,0,0,0,1,0|2,0,1]=4 352 B10R0.96 CC(C)OCN(C)CC(=O)O 269956a_100000746989_100000709892 [0,0,0,0,1,0|2,0,1]=4 353 B10R0.96 CC(O)CCN(C)CC(=O)O 269956a_100000746989_100012276601 [0,0,0,0,1,0|2,0,1]=4 354 B10R0.96 CN(C)CCN(C)CC(=O)N 269982a_100000225618_100000187820 [0,0,0,0,1,0|3,0,0]=4 355 B10R0.96 CN(C)CCN(C)CC(=O)O 269956a_100000746989_100000755713 [0,0,0,0,1,0|2,0,0]=3 356 B10R0.96 CN(C)CCN(C)CC(=O)[O-] 269982a_100000225618_100020667443 [0,0,0,0,1,0|2,0,1]=4 357 B10R0.96 CN(CCC(=O)N)CC(=O)O 269956a_100000746989_100000744528 [0,0,0,0,1,0|3,0,0]=4 358 B10R0.98 C=C(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000730704 [0,0,0,0,1,0|1,0,2]=4 359 B10R0.98 C=C(C)CNCC(C)C(=O)O 269956a_100000749485_100000748629 [0,0,0,0,1,0|1,0,2]=4 360 B10R0.98 CC(=CCCC(C)N(C)C)C 270004a_100102631434_100000765506 [0,0,0,0,1,0|3,0,0]=4 361 B10R0.98 CC(=CCNC(C)C(=O)N)C 34a_100000718196_100000702099 [0,0,0,0,1,0|2,0,0]=3 362 B10R0.98 CC(=CCNC(F)C(=O)N)C 34a_100000718196_100009813875 [0,0,0,0,1,0|3,0,0]=4 363 B10R0.98 CC(=CCNC(F)C(=O)[O-])C 34a_100000718196_100020610796 [0,0,0,0,1,0|2,0,1]=4 364 B10R0.98 CC(=CCN[C@@H](C)C(=O)O)C 269956a_100000743915_100000761012 [0,0,0,0,1,0|1,0,0]=2 365 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 2230a_100000119354_100000761012 [0,0,0,0,1,0|2,0,0]=3 366 B10R0.98 CC(=CCN[C@H](C)C(=O)N)C 34a_100000119354_100000761012 [0,0,0,0,1,0|2,0,0]=3 367 B10R0.98 CC(=CCOC(C)C(=O)N)C 34a_100000753907_100000702099 [0,0,0,0,1,0|2,0,0]=3 368 B10R0.98 CC(=CCOC(F)C(=O)N)C 34a_100000753907_100009813875 [0,0,0,0,1,0|3,0,0]=4 369 B10R0.98 CC(=CCOC(F)C(=O)[O-])C 34a_100000753907_100020610796 [0,0,0,0,1,0|2,0,1]=4 370 B10R0.98 CC(=CCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100000761012 [0,0,0,0,1,0|1,0,1]=3 371 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 34a_100000731257_100000761012 [0,0,0,0,1,0|2,0,0]=3 372 B10R0.98 CC(=CCO[C@H](C)C(=O)N)C 7a_100000731257_100000761012 [0,0,0,0,1,0|2,0,0]=3 373 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000702099_100000761012 [0,0,0,0,1,0|2,0,0]=3 374 B10R0.98 CC(=CCSC(C)C(=O)N)C 62a_100000761012_100000702099 [0,0,0,0,1,0|2,0,0]=3 375 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100000761012_100009813875 [0,0,0,0,1,0|3,0,0]=4 376 B10R0.98 CC(=CCSC(F)C(=O)N)C 62a_100009813875_100000761012 [0,0,0,0,1,0|3,0,0]=4 377 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100000761012_100020610796 [0,0,0,0,1,0|2,0,1]=4 378 B10R0.98 CC(=CCSC(F)C(=O)[O-])C 62a_100020610796_100000761012 [0,0,0,0,1,0|2,0,1]=4 379 B10R0.98 CC(=O)C(C)OCC=C(C)C 34a_100000212229_100000761012 [0,0,0,0,1,0|2,0,0]=3 380 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100000761012_100009814033 [0,0,0,0,1,0|2,0,0]=3 381 B10R0.98 CC(=O)C(C)SCC=C(C)C 62a_100009814033_100000761012 [0,0,0,0,1,0|2,0,0]=3 382 B10R0.98 CC(=O)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000053229 [0,0,0,0,1,0|2,0,1]=4 383 B10R0.98 CC(=O)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000076356 [0,0,0,0,1,0|3,0,0]=4 384 B10R0.98 CC(C)CCN[C@@H](C)C(=O)O 269956a_100000743915_100000210312 [0,0,0,0,1,0|1,0,2]=4 385 B10R0.98 CC(C)CNCC(C)C(=O)O 269956a_100000749485_100000210760 [0,0,0,0,1,0|1,0,2]=4 386 B10R0.98 CC(C)OCN[C@@H](C)C(=O)O 269956a_100000743915_100000709892 [0,0,0,0,1,0|2,0,1]=4 387 B10R0.98 C[C@H](NCCN(C)C)C(=O)O 269956a_100000743915_100000755713 [0,0,0,0,1,0|2,0,1]=4 388 B12R0.44 C=C(C)CCC(C)NCC=C(C)C 270004a_100000718196_100011215600 [0,0,0,0,0,1|3,0,0]=4 389 B12R0.44 C=C(C)COC(C)CCC=C(C)C 34a_100102619829_100000748629 [0,0,0,0,0,1|2,0,0]=3 390 B12R0.44 C=C(C)COC(C)CCC=C(C)C 7a_100102619829_100000748629 [0,0,0,0,0,1|2,0,0]=3 391 B12R0.44 C=C(F)COC(C)CCC=C(C)C 34a_100102619829_100009893438 [0,0,0,0,0,1|2,0,0]=3 392 B12R0.44 C=C(F)COC(C)CCC=C(C)C 7a_100102619829_100000042424 [0,0,0,0,0,1|2,0,0]=3 393 B12R0.44 CC(=CCCC(=O)CCC(=O)N)C 1458a_100011215257_100011217483 [0,0,0,0,0,1|2,0,1]=4 394 B12R0.44 CC(=CCCC(=O)CNC(=O)N)C 1458a_100000184981_100011217483 [0,0,0,0,0,1|2,0,1]=4 395 B12R0.44 CC(=CCCC(C)CCN(C)C)C 2230a_100102631434_100009814015 [0,0,0,0,0,1|3,0,0]=4 396 B12R0.44 CC(=CCCC(C)CCN(C)C)C 269982a_100102631434_100009814015 [0,0,0,0,0,1|3,0,0]=4 397 B12R0.44 CC(=CCCC(C)CCN(C)C)C 270004a_100102631434_100000212096 [0,0,0,0,0,1|3,0,0]=4 398 B12R0.44 CC(=CCCC(C)NCC(C)C)C 270004a_100000210953_100000765506 [0,0,0,0,0,1|2,0,1]=4 399 B12R0.44 CC(=CCCC(C)NCC(C)O)C 270004a_100000210904_100000765506 [0,0,0,0,0,1|1,0,1]=3 400 B12R0.44 CC(=CCCC(C)NCC(F)F)C 270004a_100000765723_100000765506 [0,0,0,0,0,1|2,0,1]=4 401 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 34a_100102619829_100000187820 [0,0,0,0,0,1|1,0,0]=2 402 B12R0.44 CC(=CCCC(C)OCC(=O)N)C 7a_100102619829_100000187820 [0,0,0,0,0,1|1,0,0]=2 403 B12R0.44 CC(=CCCC(C)OCC(=O)[O-])C 34a_100102619829_100020667443 [0,0,0,0,0,1|0,0,1]=2 404 B12R0.44 CC(=CCCC(C)OCC(C)C)C 34a_100102619829_100000210624 [0,0,0,0,0,1|2,0,1]=4 405 B12R0.44 CC(=CCCC(C)OCC(C)C)C 7a_100102619829_100000210760 [0,0,0,0,0,1|2,0,1]=4 406 B12R0.44 CC(=CCCC(C)OCC(C)O)C 34a_100102619829_100011218427 [0,0,0,0,0,1|1,0,1]=3 407 B12R0.44 CC(=CCCC(C)OCC(C)O)C 7a_100102619829_100011218427 [0,0,0,0,0,1|1,0,1]=3 408 B12R0.44 CC(=CCCC(C)OCC(F)F)C 34a_100102619829_100011934356 [0,0,0,0,0,1|2,0,1]=4 409 B12R0.44 CC(=CCCC(C)OCC(F)F)C 7a_100102619829_100011934356 [0,0,0,0,0,1|2,0,1]=4 410 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 34a_100102619829_100009817552 [0,0,0,0,0,1|1,0,1]=3 411 B12R0.44 CC(=CCCC(C)OC[C@@H](C)O)C 7a_100102619829_100009817552 [0,0,0,0,0,1|1,0,1]=3 412 B12R0.44 CC(=CCCC(C)OC[N+](=O)[O-])C 34a_100102619829_100000761209 [0,0,0,0,0,1|1,0,1]=3 413 B12R0.44 CC(=CCCN(C)CCC(=O)N)C 2230a_100000730477_100011217483 [0,0,0,0,0,1|2,0,0]=3 414 B12R0.44 CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000070787_100016991246 [0,0,0,0,0,1|1,0,1]=3 415 B12R0.44 CC(=O)CCC(C)CCC=C(C)C 1458a_100000070787_100009814015 [0,0,0,0,0,1|1,0,0]=2 416 B12R0.44 CC(=O)CCC(C)CCCC(C)C 1458a_100000070787_100009816328 [0,0,0,0,0,1|1,0,2]=4 417 B12R0.44 CC(=O)NCC(=O)CCC=C(C)C 1458a_100000194580_100011217483 [0,0,0,0,0,1|2,0,1]=4 418 B12R0.44 CC(=O)NN=C(C)CCC=C(C)C 4a_100000189765_100000765506 [0,0,0,0,0,1|2,0,1]=4 419 B12R0.44 CC(=O)OCC(=O)CCC=C(C)C 1458a_100000183556_100011217483 [0,0,0,0,0,1|2,0,1]=4 420 B12R0.44 CC(=O)OCC(C)NCC=C(C)C 270004a_100000718196_100000000629 [0,0,0,0,0,1|2,0,0]=3 421 B12R0.44 CC(=O)SCC(=O)CCC=C(C)C 1458a_100000049016_100011217483 [0,0,0,0,0,1|2,0,1]=4 422 B12R0.44 CC(C)CCCC(C)NCC(=O)N 2230a_100000210607_100000747473 [0,0,0,0,0,1|1,0,2]=4 423 B12R0.44 CC(C)CCCC(C)OCC(=O)N 34a_200011218570_100000187820 [0,0,0,0,0,1|1,0,2]=4 424 B12R0.44 CC(C)CCCC(C)OCC(=O)N 7a_200011218570_100000187820 [0,0,0,0,0,1|1,0,2]=4 425 B12R0.44 CC(C)CCCC(C)OCC(=O)[O-] 34a_200011218570_100020667443 [0,0,0,0,0,1|0,0,3]=4 426 B12R0.270 C=C(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000730704 [0,0,0,0,0,1|1,0,2]=4 427 B12R0.270 CC(=CCCNC(C)CC(C)C)C 2230a_100000692259_100011217483 [0,0,0,0,0,1|2,0,1]=4 428 B12R0.270 CC(=CCCOC(C)C=C(C)C)C 34a_100000717055_100011217483 [0,0,0,0,0,1|2,0,1]=4 429 B12R0.270 CC(=CCCOC(C)CC(C)C)C 34a_100000211805_100011217483 [0,0,0,0,0,1|2,0,1]=4 430 B12R0.270 CC(=CCCOC(C)CC(C)C)C 7a_100000211805_100011217483 [0,0,0,0,0,1|2,0,1]=4 431 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100000731052_100011217483 [0,0,0,0,0,1|2,0,1]=4 432 B12R0.270 CC(=CCCSC(C)CC(C)C)C 62a_100011217483_100000731052 [0,0,0,0,0,1|2,0,1]=4 433 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100011217483_100020606517 [0,0,0,0,0,1|3,0,0]=4 434 B12R0.270 CC(=CCCSC(C)CN(C)C)C 62a_100020606517_100011217483 [0,0,0,0,0,1|3,0,0]=4 435 B12R0.270 CC(=CCNCC(O)CC(=O)O)C 269956a_100011218706_100000761012 [0,0,0,0,0,1|1,0,0]=2 436 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100000761012_100015348159 [0,0,0,0,0,1|3,0,0]=4 437 B12R0.270 CC(=CCSCC(C)CN(C)C)C 62a_100015348159_100000761012 [0,0,0,0,0,1|3,0,0]=4 438 B12R0.270 CC(=O)CCCCN(C)CC(=O)O 269956a_100000746989_100000735457 [0,0,0,0,0,1|2,0,1]=4 439 B12R0.270 CC(=O)CCNCC(O)CC(=O)O 269956a_100011218706_100000053229 [0,0,0,0,0,1|2,0,1]=4 440 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100009818208_100011217483 [0,0,0,0,0,1|2,0,0]=3 441 B12R0.270 CC(=O)OC(C)SCCC=C(C)C 62a_100011217483_100009818208 [0,0,0,0,0,1|2,0,0]=3 442 B12R0.270 CC(=O)OCCCN(C)CC(=O)O 269956a_100000746989_100000042594 [0,0,0,0,0,1|2,0,1]=4 443 B12R0.270 CC(=O)OCNCC(O)CC(=O)O 269956a_100011218706_100000076356 [0,0,0,0,0,1|3,0,0]=4 444 B12R0.270 CC(=O)SCCCN(C)CC(=O)O 269956a_100000746989_100000038929 [0,0,0,0,0,1|2,0,1]=4 445 B12R0.270 CC(=S)OCCCN(C)CC(=O)O 269956a_100000746989_200135323944 [0,0,0,0,0,1|2,0,1]=4 446 B12R0.270 CC(C)CCCCN(C)CC(=O)O 269956a_100000746989_100011216152 [0,0,0,0,0,1|1,0,2]=4 447 B12R0.270 CC(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000210312 [0,0,0,0,0,1|1,0,2]=4 448 B12R0.270 CC(C)OCNCC(O)CC(=O)O 269956a_100011218706_100000709892 [0,0,0,0,0,1|2,0,1]=4 449 B12R0.270 CN(C)CCCCN(C)CC(=O)O 269956a_100000746989_100000690147 [0,0,0,0,0,1|2,0,1]=4 450 B12R0.270 CN(C)CCNCC(O)CC(=O)O 269956a_100011218706_100000755713 [0,0,0,0,0,1|2,0,1]=4 451 B9R0.1 C=CC(C)OCC=C(C)C 34a_100000695699_100000761012 [2,0,0,0,0,0|1,0,1]=4 452 B9R0.1 C=CC(C)SCC=C(C)C 62a_100011215867_100000761012 [2,0,0,0,0,0|1,0,1]=4 453 B9R0.1 CC(=CCCC(=O)CO)C 1458a_100000210174_100011217483 [2,0,0,0,0,0|1,0,1]=4 454 B9R0.1 CC(=CCCC(C)O[13CH3])C 34a_100102619829_200025704644 [2,0,0,0,0,0|1,0,1]=4 455 B9R0.1 CC(=CCCC(C)O[13CH3])C 7a_100102619829_200025704644 [2,0,0,0,0,0|1,0,1]=4 456 B9R0.1 CC(=CCNC(C)CO)C 34a_100000718196_100012180447 [2,0,0,0,0,0|1,0,0]=3 457 B9R0.1 CC(=CCN[C@H](C)CO)C 2230a_100000737577_100000761012 [2,0,0,0,0,0|1,0,0]=3 458 B9R0.1 CC(=CCOC(C)CF)C 34a_100016041109_100000761012 [2,0,0,0,0,0|2,0,0]=4 459 B9R0.1 CC(=CCOC(C)CF)C 7a_100016041109_100000761012 [2,0,0,0,0,0|2,0,0]=4 460 B9R0.1 CC(=CCOC(C)CN)C 34a_100000210904_100000761012 [2,0,0,0,0,0|2,0,0]=4 461 B9R0.1 CC(=CCOC(C)CO)C 34a_100000753907_100012180447 [2,0,0,0,0,0|1,0,0]=3 462 B9R0.1 CC(=CCSC(C)CO)C 62a_100012180447_100000761012 [2,0,0,0,0,0|1,0,0]=3 463 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100000761012_100016084084 [2,0,0,0,0,0|1,0,0]=3 464 B9R0.1 CC(=CCS[C@H](C)CO)C 62a_100016084084_100000761012 [2,0,0,0,0,0|1,0,0]=3 465 B9R0.1 CC(=O)NCCC(C)CO 240690a_106354213184_100015343762 [2,0,0,0,0,0|2,0,0]=4 466 B9R0.1 CC(=O)NCCC(C)CO 527a_106354213184_100103153847 [2,0,0,0,0,0|2,0,0]=4 467 B9R0.1 CC(CO)CCNC(C)C 2230a_106354213184_100000210206 [2,0,0,0,0,0|1,0,1]=4 468 B9R0.1 CC(CO)CCNC(C)C 34a_106354213184_100000210206 [2,0,0,0,0,0|1,0,1]=4 469 B9R0.1 CCC(C)NCC=C(C)C 2230a_100000209981_100000761012 [2,0,0,0,0,0|1,0,1]=4 470 B9R0.1 CCC(C)NCC=C(C)C 34a_100000718196_100011215416 [2,0,0,0,0,0|1,0,1]=4 471 B9R0.1 CCC(C)OCC=C(C)C 34a_100000753907_100011215416 [2,0,0,0,0,0|1,0,1]=4 472 B9R0.1 CCC(C)OCC=C(C)C 7a_100000210228_100000761012 [2,0,0,0,0,0|1,0,1]=4 473 B9R0.1 CCC(C)SCC=C(C)C 62a_100000758301_100000761012 [2,0,0,0,0,0|1,0,1]=4 474 B9R0.1 CCC(C)SCC=C(C)C 62a_100000761012_100000758301 [2,0,0,0,0,0|1,0,1]=4 475 B9R0.1 CCN(C)CCC=C(C)C 2230a_100000225621_100011217483 [2,0,0,0,0,0|1,0,1]=4 476 B9R0.1 CCN(C)CCC=C(C)C 269982a_100000225621_100011217483 [2,0,0,0,0,0|1,0,1]=4 477 B9R0.1 CNC(C)CCC=C(C)C 270004a_106832991635_100000765506 [2,0,0,0,0,0|1,0,1]=4 478 B9R0.1 COC(C)CCC=C(C)C 34a_100102619829_200000210301 [2,0,0,0,0,0|1,0,1]=4 479 B9R0.1 COC(C)CCC=C(C)C 7a_100102619829_200000210301 [2,0,0,0,0,0|1,0,1]=4 480 B9R0.2 C/C=C/CCOCC(=O)N 34a_100016278192_100000187820 [2,0,0,0,0,0|2,0,0]=4 481 B9R0.2 C/C=C/CCOCC(=O)[O-] 34a_100016278192_100020667443 [2,0,0,0,0,0|1,0,1]=4 482 B9R0.2 C/C=C/CNOCC(=O)O 269956a_100000106656_100102629194 [2,0,0,0,0,0|2,0,0]=4 483 B9R0.2 C/C=C/COCCC(=O)C 34a_100000759926_100102629194 [2,0,0,0,0,0|2,0,0]=4 484 B9R0.2 C/C=C/COCCC(=O)C 7a_100000759926_100102629194 [2,0,0,0,0,0|2,0,0]=4 485 B9R0.2 C/C=C/COCCC(=O)N 34a_100000757172_100102629194 [2,0,0,0,0,0|2,0,0]=4 486 B9R0.2 C/C=C/COCCC(=O)N 34a_100016270725_100000731001 [2,0,0,0,0,0|2,0,0]=4 487 B9R0.2 C/C=C/COCCC(=O)N 7a_100000757172_100102629194 [2,0,0,0,0,0|2,0,0]=4 488 B9R0.2 C/C=C/CSCCC(=O)C 62a_100000053229_100102629194 [2,0,0,0,0,0|2,0,0]=4 489 B9R0.2 C/C=C/CSCCC(=O)C 62a_100102629194_100000053229 [2,0,0,0,0,0|2,0,0]=4 490 B9R0.2 C/C=C/CSCCC(=O)N 62a_100000744528_100102629194 [2,0,0,0,0,0|2,0,0]=4 491 B9R0.2 C/C=C/CSCCC(=O)N 62a_100102629194_100000744528 [2,0,0,0,0,0|2,0,0]=4 492 B9R0.2 C=CCCNCC=C(C)C 2230a_100015191253_100000761012 [2,0,0,0,0,0|2,0,0]=4 493 B9R0.2 C=CCCNCC=C(C)C 34a_100000718196_100000754431 [2,0,0,0,0,0|2,0,0]=4 494 B9R0.2 C=CCCOCC=C(C)C 34a_100000753907_100000754431 [2,0,0,0,0,0|2,0,0]=4 495 B9R0.2 C=CCCOCC=C(C)C 34a_100011205117_100000761012 [2,0,0,0,0,0|2,0,0]=4 496 B9R0.2 C=CCCSCC=C(C)C 62a_100000754431_100000761012 [2,0,0,0,0,0|2,0,0]=4 497 B9R0.2 C=CCCSCC=C(C)C 62a_100000761012_100000754431 [2,0,0,0,0,0|2,0,0]=4 498 B9R0.2 C=CCNCCC=C(C)C 2230a_100020586998_100011217483 [2,0,0,0,0,0|2,0,0]=4 499 B9R0.2 C=CCOCCC=C(C)C 34a_200000210373_100011217483 [2,0,0,0,0,0|2,0,0]=4 500 B9R0.2 C=CCSCCC=C(C)C 62a_100000210623_100011217483 [2,0,0,0,0,0|2,0,0]=4 501 B9R0.2 C=CCSCCC=C(C)C 62a_100011217483_100000210623 [2,0,0,0,0,0|2,0,0]=4 502 B9R0.2 CC(=CCCNCCO)C 2230a_100016997473_100011217483 [2,0,0,0,0,0|1,0,1]=4 503 B9R0.2 CC(=CCCNCCO)C 34a_100016990907_100011217483 [2,0,0,0,0,0|1,0,1]=4 504 B9R0.2 CC(=CCCSCC=O)C 62a_100011217483_200015260668 [2,0,0,0,0,0|1,0,0]=3 505 B9R0.2 CC(=CCCSCC=O)C 62a_200015260668_100011217483 [2,0,0,0,0,0|1,0,0]=3 506 B9R0.2 CC(=CCCSCCO)C 62a_100000211926_100011217483 [2,0,0,0,0,0|1,0,1]=4 507 B9R0.2 CC(=CCCSCCO)C 62a_100011217483_100000211926 [2,0,0,0,0,0|1,0,1]=4 508 B9R0.2 CC(=CCNCCCO)C 34a_100000718196_100000230001 [2,0,0,0,0,0|1,0,1]=4 509 B9R0.2 CC(=CCOCCCO)C 34a_100000753907_100000230001 [2,0,0,0,0,0|1,0,1]=4 510 B9R0.2 CC(=CCSCCCO)C 62a_100000761012_100011215043 [2,0,0,0,0,0|1,0,1]=4 511 B9R0.2 CC(=CCSCCCO)C 62a_100011215043_100000761012 [2,0,0,0,0,0|1,0,1]=4 512 B9R0.2 CC(C)NCCCCC=O 2230a_100138425928_100000139335 [2,0,0,0,0,0|1,0,1]=4 513 B9R0.2 CC(C)SCCCCC=O 62a_100000139335_100000210206 [2,0,0,0,0,0|1,0,1]=4 514 B9R0.2 CC(C)SCCCCC=O 62a_100000210206_100000139335 [2,0,0,0,0,0|1,0,1]=4 515 B9R0.2 CC=CCOCCC(=O)C 34a_100000759926_100000070051 [2,0,0,0,0,0|2,0,0]=4 516 B9R0.2 CC=CCOCCC(=O)C 7a_100000759926_100000070051 [2,0,0,0,0,0|2,0,0]=4 517 B9R0.2 CC=CCOCCC(=O)N 34a_100000757172_100000070051 [2,0,0,0,0,0|2,0,0]=4 518 B9R0.2 CC=CCOCCC(=O)N 7a_100000757172_100000070051 [2,0,0,0,0,0|2,0,0]=4 519 B9R0.2 CC=CCSCCC(=O)C 62a_100000053229_100000070051 [2,0,0,0,0,0|2,0,0]=4 520 B9R0.2 CC=CCSCCC(=O)C 62a_100000070051_100000053229 [2,0,0,0,0,0|2,0,0]=4 521 B9R0.2 CC=CCSCCC(=O)N 62a_100000070051_100000744528 [2,0,0,0,0,0|2,0,0]=4 522 B9R0.2 CC=CCSCCC(=O)N 62a_100000744528_100000070051 [2,0,0,0,0,0|2,0,0]=4 523 B9R0.2 CN(C)CCCCCC=O 2230a_100102631434_100000139337 [2,0,0,0,0,0|1,0,1]=4 524 B9R0.2 CN(C)CCCCCC=O 269982a_100102631434_100000139337 [2,0,0,0,0,0|1,0,1]=4 525 B9R0.5 C/C=C/CN[C@H](C)CCO 34a_100000706166_100102629194 [2,0,0,0,0,0|1,0,1]=4 526 B9R0.5 C/C=C/COC(C)CCO 34a_100016270725_100009893172 [2,0,0,0,0,0|1,0,1]=4 527 B9R0.5 C/C=C/CSC(C)CCO 62a_100009893172_100102629194 [2,0,0,0,0,0|1,0,1]=4 528 B9R0.5 C/C=C/CSC(C)CCO 62a_100102629194_100009893172 [2,0,0,0,0,0|1,0,1]=4 529 B9R0.5 C=CC[C@@H](C)OC/C=C/C 34a_100000731007_100102629194 [2,0,0,0,0,0|2,0,0]=4 530 B9R0.5 C=CC[C@@H](C)OC/C=C/C 7a_100000731007_100102629194 [2,0,0,0,0,0|2,0,0]=4 531 B9R0.5 C=CC[C@@H](C)OCC=CC 34a_100000731007_100000070051 [2,0,0,0,0,0|2,0,0]=4 532 B9R0.5 C=CC[C@@H](C)OCC=CC 7a_100000731007_100000070051 [2,0,0,0,0,0|2,0,0]=4 533 B9R0.5 CC=CCN[C@H](C)CCO 2230a_100000706166_100000070051 [2,0,0,0,0,0|1,0,1]=4 534 B9R0.5 CC=CCN[C@H](C)CCO 34a_100000706166_100000070051 [2,0,0,0,0,0|1,0,1]=4 535 B9R0.5 CC=CCSC(C)CCO 62a_100000070051_100009893172 [2,0,0,0,0,0|1,0,1]=4 536 B9R0.5 CC=CCSC(C)CCO 62a_100009893172_100000070051 [2,0,0,0,0,0|1,0,1]=4 537 B9R0.4 C/C=C/CN(C)CC(=O)O 269956a_100000746989_100102629194 [2,0,0,0,0,0|1,0,0]=3 538 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100000739694_100000754431 [2,0,0,0,0,0|2,0,0]=4 539 B9R0.4 C=CCCN(C)CC(=O)N 2230a_100020639649_100000747473 [2,0,0,0,0,0|2,0,0]=4 540 B9R0.4 C=CCCN(C)CC(=O)N 269982a_100020639649_100000187820 [2,0,0,0,0,0|2,0,0]=4 541 B9R0.4 C=CCCN(C)CC(=O)O 269956a_100000746989_100000754431 [2,0,0,0,0,0|1,0,0]=3 542 B9R0.4 C=CCCN(C)CC(=O)[O-] 269982a_100020639649_100020667443 [2,0,0,0,0,0|1,0,1]=4 543 B9R0.4 CC=CCN(C)CC(=O)N 2230a_100000739694_100000070051 [2,0,0,0,0,0|2,0,0]=4 544 B9R0.4 CCCCN(C)CC(=O)O 269956a_100000746989_100000210211 [2,0,0,0,0,0|1,0,1]=4 545 B9R0.4 COCCN(C)CC(=O)O 269956a_100000746989_100000233755 [2,0,0,0,0,0|2,0,0]=4 546 B9R0.4 CSCCN(C)CC(=O)O 269956a_100000746989_100000212216 [2,0,0,0,0,0|2,0,0]=4 547 B11R0.1 CC(=CC(C)OC(C)CCO)C 34a_100000717055_100009893172 [1,1,0,0,0,0|1,0,1]=4 548 B11R0.45 C=CC[C@H](CO)NCC=C(C)C 2230a_100020615467_100000761012 [1,1,0,0,0,0|2,0,0]=4 549 B11R0.45 CCN(CCO)CCC=C(C)C 2230a_100000210973_100011217483 [1,1,0,0,0,0|1,0,1]=4 550 B11R0.45 CCN(CCO)CCC=C(C)C 269982a_100000210973_100011217483 [1,1,0,0,0,0|1,0,1]=4 551 B11R0.59 C=CCC(C)C(=O)CC=C(C)C 1458a_100011216819_100000761012 [1,1,0,0,0,0|1,0,1]=4 552 B11R0.59 CC(=CCC(=O)C(C)CCO)C 1458a_100011220947_100009893172 [1,1,0,0,0,0|0,0,2]=4 553 B11R0.59 CC(=CCN(C)C(C)CCO)C 2230a_100000731037_100000761012 [1,1,0,0,0,0|1,0,1]=4 554 B11R0.59 CC(=CCN(C)C(C)CCO)C 269982a_100000731037_100000761012 [1,1,0,0,0,0|1,0,1]=4 555 B11R0.104 C=CCC(C)(C)OCC=C(C)C 7a_100011995686_100000761012 [1,1,0,0,0,0|2,0,0]=4 556 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 34a_100015455354_100000761012 [1,1,0,0,0,0|2,0,0]=4 557 B11R0.145 C=C[C@@H](C)[C@@H](C)OCC=C(C)C 7a_100015455354_100000761012 [1,1,0,0,0,0|2,0,0]=4 558 B11R0.145 CC(=CCCN(C)C(C)CO)C 2230a_100000693034_100011217483 [1,1,0,0,0,0|1,0,1]=4 559 B11R0.145 CC(=CCCN(C)C(C)CO)C 269982a_100000693034_100011217483 [1,1,0,0,0,0|1,0,1]=4 560 B11R0.147 C#CCOC(C)CCC=C(C)C 34a_100102619829_100000184674 [1,1,0,0,0,0|1,0,1]=4 561 B11R0.147 C#CCOC(C)CCC=C(C)C 7a_100102619829_100000038162 [1,1,0,0,0,0|1,0,1]=4 562 B11R0.147 C=CCCC(C)NCC=C(C)C 270004a_100000718196_100000762624 [1,1,0,0,0,0|2,0,0]=4 563 B11R0.147 C=CCCC(C)OCC=C(C)C 34a_100000765329_100000761012 [1,1,0,0,0,0|2,0,0]=4 564 B11R0.147 C=CCCC(C)OCC=C(C)C 7a_100000765329_100000761012 [1,1,0,0,0,0|2,0,0]=4 565 B11R0.147 C=CCCN(C)CCC=C(C)C 2230a_100020639649_100011217483 [1,1,0,0,0,0|2,0,0]=4 566 B11R0.147 C=CCCN(C)CCC=C(C)C 269982a_100020639649_100011217483 [1,1,0,0,0,0|2,0,0]=4 567 B11R0.147 C=CCNC(C)CCC=C(C)C 270004a_100020586998_100000765506 [1,1,0,0,0,0|1,0,0]=3 568 B11R0.147 C=CCOC(C)CCC=C(C)C 34a_100102619829_100015514636 [1,1,0,0,0,0|1,0,0]=3 569 B11R0.147 C=CCOC(C)CCC=C(C)C 7a_100102619829_100015514636 [1,1,0,0,0,0|1,0,0]=3 570 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 34a_100000017536_200025704644 [1,1,0,0,0,0|0,0,1]=3 571 B11R0.147 CC(=CCCC(C)CCO[13CH3])C 7a_100000017536_200025704644 [1,1,0,0,0,0|0,0,1]=3 572 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_100009814015_200025704644 [1,1,0,0,0,0|0,1,1]=4 573 B11R0.147 CC(=CCCC(C)CCS[13CH3])C 62a_200025704644_100009814015 [1,1,0,0,0,0|0,1,1]=4 574 B11R0.147 CC(=CCCC(C)NCCO)C 270004a_100000210304_100000765506 [1,1,0,0,0,0|0,0,1]=3 575 B11R0.147 CC(=CCCC(C)OCC#N)C 7a_100102619829_100011215382 [1,1,0,0,0,0|1,0,1]=4 576 B11R0.147 CC(=CCCC(C)OCC=O)C 34a_100102619829_200009817547 [1,1,0,0,0,0|0,0,0]=2 577 B11R0.147 CC(=CCCC(C)OCC=O)C 7a_100102619829_200015260668 [1,1,0,0,0,0|0,0,0]=2 578 B11R0.147 CC(=CCCC(C)OCCF)C 34a_100102619829_100011217306 [1,1,0,0,0,0|1,0,1]=4 579 B11R0.147 CC(=CCCC(C)OCCF)C 7a_100102619829_100011217306 [1,1,0,0,0,0|1,0,1]=4 580 B11R0.147 CC(=CCCC(C)OCCO)C 34a_100102619829_100000211926 [1,1,0,0,0,0|0,0,1]=3 581 B11R0.147 CC(=CCCC(C)OCCO)C 7a_100102619829_100000211926 [1,1,0,0,0,0|0,0,1]=3 582 B11R0.147 CC(=CCCN(C)CCCO)C 2230a_100000213112_100011217483 [1,1,0,0,0,0|1,0,1]=4 583 B11R0.147 CC(=CCCN(C)CCCO)C 269982a_100000213112_100011217483 [1,1,0,0,0,0|1,0,1]=4 584 B11R0.147 CC(C)CCCC(C)NCC=O 2230a_100000210607_200015260668 [1,1,0,0,0,0|0,0,2]=4 585 B11R0.147 CC(C)CCCC(C)OCC=O 34a_200011218570_200009817547 [1,1,0,0,0,0|0,0,2]=4 586 B11R0.147 CC(C)CCCC(C)OCC=O 7a_200011218570_200015260668 [1,1,0,0,0,0|0,0,2]=4 587 B11R0.147 CCCNC(C)CCC=C(C)C 270004a_100020643023_100000765506 [1,1,0,0,0,0|1,0,1]=4 588 B11R0.147 CCCOC(C)CCC=C(C)C 34a_100102619829_100000210303 [1,1,0,0,0,0|1,0,1]=4 589 B11R0.147 CCCOC(C)CCC=C(C)C 7a_100102619829_100000210303 [1,1,0,0,0,0|1,0,1]=4 590 B11R0.147 CCNCC(C)CCC=C(C)C 270004a_100015525214_100000033009 [1,1,0,0,0,0|1,0,1]=4 591 B11R0.147 CNCCC(C)CCC=C(C)C 2230a_106832991635_100009814015 [1,1,0,0,0,0|1,0,1]=4 592 B11R0.147 CNCCC(C)CCC=C(C)C 269862a_106832991636_100000212096 [1,1,0,0,0,0|1,0,1]=4 593 B11R0.147 CNCCC(C)CCC=C(C)C 270004a_106832991635_100000212096 [1,1,0,0,0,0|1,0,1]=4 594 B11R0.147 CNCCC(C)CCC=C(C)C 34a_100102657272_100009814015 [1,1,0,0,0,0|1,0,1]=4 595 B11R0.147 CNCCC(C)CCC=C(C)C 7a_106832991635_100009814015 [1,1,0,0,0,0|1,0,1]=4 596 B11R0.147 COCCC(C)CCC=C(C)C 34a_100000017536_200000210301 [1,1,0,0,0,0|0,0,1]=3 597 B11R0.147 COCCC(C)CCC=C(C)C 34a_100138415774_100009814015 [1,1,0,0,0,0|0,0,1]=3 598 B11R0.147 COCCC(C)CCC=C(C)C 7a_100000017536_200000210301 [1,1,0,0,0,0|0,0,1]=3 599 B11R0.147 COCCC(C)NCC=C(C)C 270004a_100000718196_100000742357 [1,1,0,0,0,0|1,0,1]=4 600 B11R0.147 COCCN(C)CCC=C(C)C 2230a_100000743101_100011217483 [1,1,0,0,0,0|1,0,1]=4 601 B11R0.147 COCCN(C)CCC=C(C)C 269982a_100000743101_100011217483 [1,1,0,0,0,0|1,0,1]=4 602 B11R0.147 CSCCC(C)CCC=C(C)C 62a_100009814015_200000210301 [1,1,0,0,0,0|0,1,1]=4 603 B11R0.147 CSCCC(C)CCC=C(C)C 62a_200000210301_100009814015 [1,1,0,0,0,0|0,1,1]=4 604 B11R0.147 CSCOC(C)CCC=C(C)C 34a_100102619829_100011218213 [1,1,0,0,0,0|2,0,0]=4 605 B11R0.2 C/C=C/CNCC(O)CC(=O)O 269956a_100011218706_100102629194 [1,1,0,0,0,0|1,0,0]=3 606 B11R0.2 CC/C=C\CCN(C)CC(=O)N 2230a_100000739694_100015370543 [1,1,0,0,0,0|2,0,0]=4 607 B11R0.2 CC/C=C\CCN(C)CC(=O)O 269956a_100000746989_100015370543 [1,1,0,0,0,0|1,0,0]=3 608 B11R0.77 C/C=C/CN[C@H](CC)CC(=O)O 269956a_100016995926_100102629194 [1,1,0,0,0,0|1,0,0]=3 609 B11R0.77 C/C=C/CN[C@H](CO)CC(=O)O 269956a_100009816507_100102629194 [1,1,0,0,0,0|1,0,0]=3 610 B11R0.107 CNC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737683 [1,1,0,0,0,0|2,0,0]=4 611 B11R0.107 COC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000204255 [1,1,0,0,0,0|2,0,0]=4 612 B11R0.139 C/C=C/CO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100102629194 [1,1,0,0,0,0|2,0,0]=4 613 B11R0.139 CC=CCO[C@H](C)[C@H](N)C(=O)N 34a_100000003557_100000070051 [1,1,0,0,0,0|2,0,0]=4 614 B11R0.154 C/C=C/COC(C)CC(=O)OC 34a_100016270725_100009817358 [1,1,0,0,0,0|1,0,0]=3 615 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100009817358_100102629194 [1,1,0,0,0,0|1,0,0]=3 616 B11R0.154 C/C=C/CSC(C)CC(=O)OC 62a_100102629194_100009817358 [1,1,0,0,0,0|1,0,0]=3 617 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100000070051_100009817358 [1,1,0,0,0,0|1,0,0]=3 618 B11R0.154 CC=CCSC(C)CC(=O)OC 62a_100009817358_100000070051 [1,1,0,0,0,0|1,0,0]=3 619 B11R0.324 C/C=C/CNC(C)(C)CC(=O)O 269956a_100000755897_100102629194 [1,1,0,0,0,0|1,0,0]=3 620 B11R0.324 C/C=C/COC(C)(C)CC(=O)C 7a_100000210262_100102629194 [1,1,0,0,0,0|2,0,0]=4 621 B11R0.324 CC=CCNC(C)(C)CC(=O)N 2230a_100000763158_100000070051 [1,1,0,0,0,0|2,0,0]=4 622 B11R0.324 CC=CCOC(C)(C)CC(=O)C 7a_100000210262_100000070051 [1,1,0,0,0,0|2,0,0]=4 623 B11R0.29 C=C(C)C(=O)CCCCC(=O)C 1458a_100000185857_100000735457 [1,1,0,0,0,0|1,0,1]=4 624 B11R0.29 CC(=CCCN[C@@H](C)C(=O)O)C 269956a_100000743915_100011217483 [1,1,0,0,0,0|1,0,0]=3 625 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 2230a_100000119354_100011217483 [1,1,0,0,0,0|2,0,0]=4 626 B11R0.29 CC(=CCCN[C@H](C)C(=O)N)C 34a_100000119354_100011217483 [1,1,0,0,0,0|2,0,0]=4 627 B11R0.29 CC(=CCCO[C@@H](C)C(=O)[O-])C 7a_217856618621_100011217483 [1,1,0,0,0,0|1,0,1]=4 628 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 34a_100000731257_100011217483 [1,1,0,0,0,0|2,0,0]=4 629 B11R0.29 CC(=CCCO[C@H](C)C(=O)N)C 7a_100000731257_100011217483 [1,1,0,0,0,0|2,0,0]=4 630 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100000702099_100011217483 [1,1,0,0,0,0|2,0,0]=4 631 B11R0.29 CC(=CCCSC(C)C(=O)N)C 62a_100011217483_100000702099 [1,1,0,0,0,0|2,0,0]=4 632 B11R0.29 CC(=CCCSC(F)C(=O)N)C 62a_100009813875_100011217483 [1,1,0,0,0,0|2,0,0]=4 633 B11R0.29 CC(=CCCSC(F)C(=O)N)C 62a_100011217483_100009813875 [1,1,0,0,0,0|2,0,0]=4 634 B11R0.29 CC(=CCCSC(F)C(=O)[O-])C 62a_100011217483_100020610796 [1,1,0,0,0,0|1,0,1]=4 635 B11R0.29 CC(=CCCSC(F)C(=O)[O-])C 62a_100020610796_100011217483 [1,1,0,0,0,0|1,0,1]=4 636 B11R0.29 CC(=CCNCC(C)C(=O)O)C 269956a_100000749485_100000761012 [1,1,0,0,0,0|1,0,0]=3 637 B11R0.29 CC(=CCNCC(F)C(=O)O)C 269956a_100000084737_100000761012 [1,1,0,0,0,0|1,0,0]=3 638 B11R0.29 CC(=CCOC[C@H](N)C(=O)N)C 34a_100000729942_100000761012 [1,1,0,0,0,0|2,0,0]=4 639 B11R0.29 CC(=O)C(C)COCC=C(C)C 34a_100000032740_100000761012 [1,1,0,0,0,0|2,0,0]=4 640 B11R0.29 CC(=O)C(C)COCC=C(C)C 7a_100000032740_100000761012 [1,1,0,0,0,0|2,0,0]=4 641 B11R0.29 CC(=O)C(C)OCCC=C(C)C 34a_100000212229_100011217483 [1,1,0,0,0,0|2,0,0]=4 642 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100009814033_100011217483 [1,1,0,0,0,0|2,0,0]=4 643 B11R0.29 CC(=O)C(C)SCCC=C(C)C 62a_100011217483_100009814033 [1,1,0,0,0,0|2,0,0]=4 644 B11R0.29 CC(=O)CCCCC(=O)C(C)C 1458a_100000210198_100000735457 [1,1,0,0,0,0|1,0,1]=4 645 B11R0.29 CC(=O)CCCCC(=O)N(C)C 1458a_100000070787_100000752486 [1,1,0,0,0,0|2,0,0]=4 646 B11R0.29 CN(C)C(=O)CCNCC(=O)O 269956a_100016091260_100000737620 [1,1,0,0,0,0|2,0,0]=4 647 B11R0.85 CC(=CCC(=O)CCC(=O)N)C 1458a_100011215257_100000761012 [1,1,0,0,0,0|1,0,1]=4 648 B11R0.85 CC(=CCN(C)CCC(=O)N)C 2230a_100000730477_100000761012 [1,1,0,0,0,0|2,0,0]=4 649 B11R0.111 CC(=CCOCCC(=NO)N)C 34a_100000749954_100000761012 [1,1,0,0,0,0|2,0,0]=4 650 B11R0.111 CC(=O)OCCCCC(=O)CO 1458a_100000210174_100000033659 [1,1,0,0,0,0|2,0,0]=4 651 B11R0.111 CC(=O)SCCCCC(=O)CO 1458a_100000210174_200010402107 [1,1,0,0,0,0|2,0,0]=4 652 B11R0.111 CC(C)CCCCCC(=O)CO 1458a_100000210174_100000210682 [1,1,0,0,0,0|0,0,2]=4 653 B11R0.111 CCC(=O)COCCC=C(C)C 34a_100000725409_100011217483 [1,1,0,0,0,0|2,0,0]=4 654 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100000747405_100011217483 [1,1,0,0,0,0|2,0,0]=4 655 B11R0.111 CCC(=O)CSCCC=C(C)C 62a_100011217483_100000747405 [1,1,0,0,0,0|2,0,0]=4 656 B11R0.111 CNC(=O)CCNCC=C(C)C 2230a_100000738227_100000761012 [1,1,0,0,0,0|2,0,0]=4 657 B11R0.111 CNC(=O)CCNCC=C(C)C 34a_100000718196_100012179268 [1,1,0,0,0,0|2,0,0]=4 658 B11R0.111 CNC(=O)CCNCC=C(C)C 34a_100000738227_100000761012 [1,1,0,0,0,0|2,0,0]=4 659 B11R0.111 CNC(=O)CCOCC=C(C)C 34a_100000753907_100012179268 [1,1,0,0,0,0|2,0,0]=4 660 B11R0.111 CNC(=O)CCOCC=C(C)C 34a_100000754576_100000761012 [1,1,0,0,0,0|2,0,0]=4 661 B11R0.111 CNC(=O)CCSCC=C(C)C 62a_100000737683_100000761012 [1,1,0,0,0,0|2,0,0]=4 662 B11R0.111 CNC(=O)CCSCC=C(C)C 62a_100000761012_100000737683 [1,1,0,0,0,0|2,0,0]=4 663 B11R0.111 CNC(=O)CNCCC=C(C)C 2230a_100000693194_100011217483 [1,1,0,0,0,0|2,0,0]=4 664 B11R0.111 CNC(=O)COCCC=C(C)C 34a_100000750040_100011217483 [1,1,0,0,0,0|2,0,0]=4 665 B11R0.111 CNC(=O)CSCCC=C(C)C 62a_100000183359_100011217483 [1,1,0,0,0,0|2,0,0]=4 666 B11R0.111 CNC(=O)CSCCC=C(C)C 62a_100011217483_100000183359 [1,1,0,0,0,0|2,0,0]=4 667 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100000070787_100009816466 [1,1,0,0,0,0|1,0,1]=4 668 B11R0.111 COC(=O)CCCCCC(=O)C 1458a_100009848860_200000210301 [1,1,0,0,0,0|1,0,1]=4 669 B11R0.111 COC(=O)CCCCCC(=O)[13CH3] 1458a_100009848860_200025704644 [1,1,0,0,0,0|1,0,1]=4 670 B11R0.111 COC(=O)CCCCCN(C)C 2230a_100102631434_100009816466 [1,1,0,0,0,0|1,0,1]=4 671 B11R0.111 COC(=O)CCCCCN(C)C 269982a_100102631434_100009816466 [1,1,0,0,0,0|1,0,1]=4 672 B11R0.111 COC(=O)CCCCNC(=O)C 188690a_100000746077_100015343762 [1,1,0,0,0,0|2,0,0]=4 673 B11R0.111 COC(=O)CCCCNC(C)C 2230a_100138425928_100000204269 [1,1,0,0,0,0|1,0,1]=4 674 B11R0.111 COC(=O)CCCCNC(C)C 34a_100138425928_100000204269 [1,1,0,0,0,0|1,0,1]=4 675 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000059025_100000210206 [1,1,0,0,0,0|1,0,1]=4 676 B11R0.111 COC(=O)CCCCOC(C)C 34a_100000212225_100000204269 [1,1,0,0,0,0|1,0,1]=4 677 B11R0.111 COC(=O)CCCCOC(C)C 7a_100000059025_100000210206 [1,1,0,0,0,0|1,0,1]=4 678 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000204269_100000210206 [1,1,0,0,0,0|1,0,1]=4 679 B11R0.111 COC(=O)CCCCSC(C)C 62a_100000210206_100000204269 [1,1,0,0,0,0|1,0,1]=4 680 B11R0.111 COC(=O)CCNCC=C(C)C 34a_100000718196_100000742370 [1,1,0,0,0,0|1,0,0]=3 681 B11R0.111 COC(=O)CCOCC=C(C)C 34a_100000753907_100000742370 [1,1,0,0,0,0|1,0,0]=3 682 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000204255_100000761012 [1,1,0,0,0,0|1,0,0]=3 683 B11R0.111 COC(=O)CCSCC=C(C)C 62a_100000761012_100000204255 [1,1,0,0,0,0|1,0,0]=3 684 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100000747449_100011217483 [1,1,0,0,0,0|1,0,0]=3 685 B11R0.111 COC(=O)CSCCC=C(C)C 62a_100011217483_100000747449 [1,1,0,0,0,0|1,0,0]=3 686 B11R0.111 COC(=O)OCSCC=C(C)C 62a_100000761012_100000139417 [1,1,0,0,0,0|2,0,0]=4 687 B11R0.33 CC(=O)C(=O)CN(C)CC(=O)O 269956a_100000746989_100011261029 [0,1,0,0,1,0|2,0,0]=4 688 B11R0.33 CC(C)C(=O)CN(C)CC(=O)O 269956a_100000746989_100000753385 [0,1,0,0,1,0|1,0,1]=4 689 B11R0.33 CN(CC(=O)O)CC(=O)N(C)C 269956a_100000746989_100000692301 [0,1,0,0,1,0|2,0,0]=4 690 B11R0.93 C=C(C)CCN(C)CC(=O)OC 2230a_100000198492_100000730704 [0,1,0,0,1,0|1,0,1]=4 691 B11R0.93 C=C(C)COC(C)CC(=O)OC 34a_100000210245_100009817358 [0,1,0,0,1,0|1,0,1]=4 692 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100000748629_100009817358 [0,1,0,0,1,0|1,0,1]=4 693 B11R0.93 C=C(C)CSC(C)CC(=O)OC 62a_100009817358_100000211660 [0,1,0,0,1,0|1,0,1]=4 694 B11R0.93 CC(=O)SCC(C)CC(=O)CO 1458a_100000210174_200000116872 [0,1,0,0,1,0|2,0,0]=4 695 B11R0.93 CC(C)CCC(C)NC(=O)CO 240690a_100138410893_100000210174 [0,1,0,0,1,0|1,0,1]=4 696 B11R0.93 CC(C)CCC(C)NC(=O)CO 527a_100138410893_100000210174 [0,1,0,0,1,0|1,0,1]=4 697 B11R0.93 CNC(=O)CN(C)CC=C(C)C 2230a_100000189611_100000761012 [0,1,0,0,1,0|2,0,0]=4 698 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100000211351_100000761012 [0,1,0,0,1,0|1,0,1]=4 699 B11R0.93 COC(=O)CC(=O)CC=C(C)C 1458a_100011220947_100000747449 [0,1,0,0,1,0|1,0,1]=4 700 B11R0.93 COC(=O)CC(C)NCC(C)C 2230a_100000210953_100009817358 [0,1,0,0,1,0|1,0,1]=4 701 B11R0.93 COC(=O)CC(C)NCC(C)C 34a_100000210953_100009817358 [0,1,0,0,1,0|1,0,1]=4 702 B11R0.93 COC(=O)CC(C)OCC(=O)C 34a_100000211253_100009817358 [0,1,0,0,1,0|2,0,0]=4 703 B11R0.93 COC(=O)CC(C)OCC(C)C 34a_100000210257_100009817358 [0,1,0,0,1,0|1,0,1]=4 704 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100000210624_100009817358 [0,1,0,0,1,0|1,0,1]=4 705 B11R0.93 COC(=O)CC(C)SCC(C)C 62a_100009817358_100000210760 [0,1,0,0,1,0|1,0,1]=4 706 B11R0.93 COC(=O)CN(C)CC=C(C)C 2230a_100000198492_100000761012 [0,1,0,0,1,0|1,0,0]=3 707 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000198492_100000210312 [0,1,0,0,1,0|1,0,1]=4 708 B11R0.93 COC(=O)CN(C)CCC(C)C 2230a_100000742789_100000747449 [0,1,0,0,1,0|1,0,1]=4 709 B11R0.93 COC(=O)CN(C)CCC(C)C 269982a_100000742789_100000747449 [0,1,0,0,1,0|1,0,1]=4 710 B11R0.93 COC(=O)CN(C)CCN(C)C 269982a_100000225618_100000747449 [0,1,0,0,1,0|2,0,0]=4 711 B11R0.143 C=C(C)CCN(CC)CC(=O)O 269956a_100000746405_100000730704 [0,1,0,0,1,0|1,0,1]=4 712 B11R0.143 C=C(C)CN[C@H](CC)CC(=O)O 269956a_100016995926_100000748629 [0,1,0,0,1,0|1,0,1]=4 713 B11R0.143 C=C(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000748629 [0,1,0,0,1,0|1,0,1]=4 714 B11R0.143 CC(=CCN(CO)CC(=O)[O-])C 269956a_100016989150_100000761012 [0,1,0,0,1,0|1,0,1]=4 715 B11R0.143 CC(C)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000210760 [0,1,0,0,1,0|1,0,1]=4 716 B11R0.143 CCN(CC=C(C)C)CC(=O)O 269956a_100000746405_100000761012 [0,1,0,0,1,0|1,0,0]=3 717 B11R0.143 CCN(CCC(=O)C)CC(=O)O 269956a_100000746405_100000053229 [0,1,0,0,1,0|2,0,0]=4 718 B11R0.143 CCN(CCC(C)C)CC(=O)O 269956a_100000746405_100000210312 [0,1,0,0,1,0|1,0,1]=4 719 B11R0.143 CCN(CCN(C)C)CC(=O)O 269956a_100000746405_100000755713 [0,1,0,0,1,0|2,0,0]=4 720 B11R0.143 CC[C@H](CC(=O)O)NCC(C)C 269956a_100016995926_100000210760 [0,1,0,0,1,0|1,0,1]=4 721 B11R0.149 CC(C)CC(C)N(C)CC(=O)O 269956a_100000746989_100000731052 [0,1,0,0,1,0|1,0,1]=4 722 B11R0.149 CC(CN(C)C)N(C)CC(=O)O 269956a_100000746989_100020606517 [0,1,0,0,1,0|2,0,0]=4 723 B11R0.173 C=C(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100000730704 [0,1,0,0,1,0|1,0,1]=4 724 B11R0.173 CC(=CCN(C)C(C)C(=O)O)C 269956a_100000749554_100000761012 [0,1,0,0,1,0|1,0,0]=3 725 B11R0.173 CC(=O)CCN(C)C(C)C(=O)O 269956a_100000749554_100000053229 [0,1,0,0,1,0|2,0,0]=4 726 B11R0.173 CC(C(=O)O)N(C)CCN(C)C 269956a_100000749554_100000755713 [0,1,0,0,1,0|2,0,0]=4 727 B11R0.173 CC(C)CCN(C)C(C)C(=O)O 269956a_100000749554_100000210312 [0,1,0,0,1,0|1,0,1]=4 728 B11R0.232 C=C(C)CNC(C)(C)CC(=O)O 269956a_100000755897_100000748629 [0,1,0,0,1,0|1,0,1]=4 729 B11R0.232 CC(C)CNC(C)(C)CC(=O)O 269956a_100000755897_100000210760 [0,1,0,0,1,0|1,0,1]=4 730 B11R0.337 CN(CCC(C)(C)C)CC(=O)O 269956a_100000746989_100000755188 [0,1,0,0,1,0|1,0,1]=4 731 B11R0.337 CN(CCC(C)(C)O)CC(=O)O 269956a_100000746989_100000702414 [0,1,0,0,1,0|1,0,1]=4 732 B11R0.337 CN(CC[N+](C)(C)C)CC(=O)O 269956a_100000746989_100000085578 [0,1,0,0,1,0|2,0,0]=4 733 B11R0.337 CN(CC[Si](C)(C)C)CC(=O)O 269956a_100000746989_200000733723 [0,1,0,0,1,0|1,1,0]=4 734 B11R0.150 CC(=O)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100011261029 [0,1,0,0,1,0|2,0,0]=4 735 B11R0.150 CC(C)C(=O)CN[C@@H](C)C(=O)O 269956a_100000743915_100000753385 [0,1,0,0,1,0|1,0,1]=4 736 B11R0.150 C[C@H](NCC(=O)N(C)C)C(=O)O 269956a_100000743915_100000692301 [0,1,0,0,1,0|2,0,0]=4 737 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 2230a_100000743658_100000761012 [0,1,0,0,1,0|2,0,0]=4 738 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000718196_100000702505 [0,1,0,0,1,0|2,0,0]=4 739 B11R0.202 CC(=CCNC(C)(C)C(=O)N)C 34a_100000743658_100000761012 [0,1,0,0,1,0|2,0,0]=4 740 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100000753907_100000702505 [0,1,0,0,1,0|2,0,0]=4 741 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 34a_100011626353_100000761012 [0,1,0,0,1,0|2,0,0]=4 742 B11R0.202 CC(=CCOC(C)(C)C(=O)N)C 7a_100011626353_100000761012 [0,1,0,0,1,0|2,0,0]=4 743 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000702505_100000761012 [0,1,0,0,1,0|2,0,0]=4 744 B11R0.202 CC(=CCSC(C)(C)C(=O)N)C 62a_100000761012_100000702505 [0,1,0,0,1,0|2,0,0]=4 745 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 34a_100000747739_100000761012 [0,1,0,0,1,0|2,0,0]=4 746 B11R0.202 CC(=O)C(C)(C)OCC=C(C)C 7a_100000747739_100000761012 [0,1,0,0,1,0|2,0,0]=4 747 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000075568_100000761012 [0,1,0,0,1,0|2,0,0]=4 748 B11R0.202 CC(=O)C(C)(C)SCC=C(C)C 62a_100000761012_100000075568 [0,1,0,0,1,0|2,0,0]=4 749 B11R0.273 C=C[C@H](NCC=C(C)C)C(=O)O 269956a_100016992060_100000761012 [0,1,0,0,1,0|1,0,1]=4 750 B11R0.273 CC(=CCNC(CO)C(=O)O)C 269956a_100000187304_100000761012 [0,1,0,0,1,0|1,0,0]=3 751 B11R0.273 CC(=CCN[C@@H](CO)C(=O)N)C 2230a_100000729942_100000761012 [0,1,0,0,1,0|2,0,0]=4 752 B11R0.273 CC(=CCN[C@@H](CO)C(=O)N)C 34a_100000729942_100000761012 [0,1,0,0,1,0|2,0,0]=4 753 B11R0.273 CCC(NCC=C(C)C)C(=O)N 2230a_100000733705_100000761012 [0,1,0,0,1,0|2,0,0]=4 754 B11R0.273 CCC(NCC=C(C)C)C(=O)N 34a_100000718196_100000750255 [0,1,0,0,1,0|2,0,0]=4 755 B11R0.273 CCC(NCC=C(C)C)C(=O)N 34a_100000733705_100000761012 [0,1,0,0,1,0|2,0,0]=4 756 B11R0.273 CCC(OCC=C(C)C)C(=O)N 34a_100000753907_100000750255 [0,1,0,0,1,0|2,0,0]=4 757 B11R0.273 CCC(SCC=C(C)C)C(=O)N 62a_100000750255_100000761012 [0,1,0,0,1,0|2,0,0]=4 758 B11R0.273 CCC(SCC=C(C)C)C(=O)N 62a_100000761012_100000750255 [0,1,0,0,1,0|2,0,0]=4 759 B11R0.273 CC[C@@H](NCC=C(C)C)C(=O)O 269956a_100000747097_100000761012 [0,1,0,0,1,0|1,0,0]=3 760 B13R0.349 CC(=O)SC[C@@H](C)C(=O)CC=C(C)C 1458a_200015407212_100000761012 [0,1,0,0,0,1|1,0,1]=4 761 B13R0.444 CC(=CCCC(C)N[C@H](C)C(=O)N)C 270004a_100000119354_100000765506 [0,1,0,0,0,1|1,0,0]=3 762 B13R0.444 CC(=CCCC(C)OC(C)C(=O)N)C 34a_100102619829_100000702099 [0,1,0,0,0,1|1,0,0]=3 763 B13R0.444 CC(=CCCC(C)OC(C)C(=O)N)C 7a_100102619829_100000702099 [0,1,0,0,0,1|1,0,0]=3 764 B13R0.444 CC(=CCCC(C)OC(F)C(=O)N)C 34a_100102619829_100009813875 [0,1,0,0,0,1|1,0,0]=3 765 B13R0.444 CC(=CCCC(C)OC(F)C(=O)N)C 7a_100102619829_100009813875 [0,1,0,0,0,1|1,0,0]=3 766 B13R0.444 CC(=CCCC(C)OC(F)C(=O)[O-])C 34a_100102619829_100020610796 [0,1,0,0,0,1|0,0,1]=3 767 B13R0.444 CC(=O)C(C)OC(C)CCC=C(C)C 7a_100102619829_100000179758 [0,1,0,0,0,1|1,0,0]=3 768 B13R0.493 C#CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000211873_100016991246 [0,1,0,0,0,1|1,0,1]=4 769 B13R0.493 C#CC(=O)CCC(C)CCC=C(C)C 1458a_100000211873_100009814015 [0,1,0,0,0,1|1,0,0]=3 770 B13R0.493 C=C(C#N)COC(C)CCC=C(C)C 34a_100102619829_100000694840 [0,1,0,0,0,1|2,0,0]=4 771 B13R0.493 C=CC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000185746_100016991246 [0,1,0,0,0,1|1,0,1]=4 772 B13R0.493 C=CC(=O)CCC(C)CCC=C(C)C 1458a_100000185746_100009814015 [0,1,0,0,0,1|1,0,0]=3 773 B13R0.493 C=CC(O)COC(C)CCC=C(C)C 34a_100102619829_100000730141 [0,1,0,0,0,1|1,0,1]=4 774 B13R0.493 C=CC(O)COC(C)CCC=C(C)C 7a_100102619829_100000730141 [0,1,0,0,0,1|1,0,1]=4 775 B13R0.493 CC(=CCC/C(=C/CC(=O)CO)/C)C 1458a_100000210174_100016991246 [0,1,0,0,0,1|0,0,1]=3 776 B13R0.493 CC(=CCCC(C)CCC(=O)CO)C 1458a_100000210174_100009814015 [0,1,0,0,0,1|0,0,0]=2 777 B13R0.493 CC(=CCCC(C)CN[C@H](C)CO)C 270004a_100000737577_100000033009 [0,1,0,0,0,1|1,0,1]=4 778 B13R0.493 CC(=CCCC(C)NC[C@@H](F)CO)C 270004a_100015665980_100000765506 [0,1,0,0,0,1|1,0,1]=4 779 B13R0.493 CC(=CCCC(C)OCC(O)CO)C 34a_100102619829_100011219619 [0,1,0,0,0,1|0,0,2]=4 780 B13R0.493 CC(=CCCC(C)OCC(O)CO)C 7a_100102619829_100011219619 [0,1,0,0,0,1|0,0,2]=4 781 B13R0.493 CC(=CCCC(C)OC[C@@H](C)CO)C 34a_100102619829_100000059175 [0,1,0,0,0,1|1,0,1]=4 782 B13R0.493 CC(=CCCC(C)OC[C@@H](C)CO)C 7a_100102619829_100000059175 [0,1,0,0,0,1|1,0,1]=4 783 B13R0.493 CC(=CCCC(C)OC[C@@H](O)CF)C 34a_100102619829_100015614560 [0,1,0,0,0,1|1,0,1]=4 784 B13R0.493 CC(=CCCC(C)OC[C@@H](O)CF)C 7a_100102619829_100015614560 [0,1,0,0,0,1|1,0,1]=4 785 B13R0.493 CC(=CCCC(C)OC[C@@H](O)CO)C 34a_100102619829_100009815848 [0,1,0,0,0,1|0,0,2]=4 786 B13R0.493 CC(=CCCC(C)OC[C@@H](O)CO)C 7a_100102619829_100009815848 [0,1,0,0,0,1|0,0,2]=4 787 B13R0.493 CC(C)CCCC(C)CCC(=O)CO 1458a_100000210174_100009816328 [0,1,0,0,0,1|0,0,2]=4 788 B13R0.493 CCC(=O)C/C=C(\C)/CCC=C(C)C 1458a_100000210414_100016991246 [0,1,0,0,0,1|1,0,1]=4 789 B13R0.493 CCC(=O)CCC(C)CCC=C(C)C 1458a_100000210414_100009814015 [0,1,0,0,0,1|1,0,0]=3 790 B13R0.493 CCC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000747405 [0,1,0,0,0,1|1,0,0]=3 791 B13R0.493 CCC(O)CNC(C)CCC=C(C)C 270004a_100011218483_100000765506 [0,1,0,0,0,1|1,0,1]=4 792 B13R0.493 CCC(O)COC(C)CCC=C(C)C 34a_100102619829_100011218378 [0,1,0,0,0,1|1,0,1]=4 793 B13R0.493 CCC(O)COC(C)CCC=C(C)C 7a_100102619829_100011218378 [0,1,0,0,0,1|1,0,1]=4 794 B13R0.493 CNC(=O)CCN(C)CCC=C(C)C 2230a_100000750875_100011217483 [0,1,0,0,0,1|2,0,0]=4 795 B13R0.493 CNC(=O)CCN(C)CCC=C(C)C 269982a_100000750875_100011217483 [0,1,0,0,0,1|2,0,0]=4 796 B13R0.493 CNC(=O)CNC(C)CCC=C(C)C 270004a_100000693194_100000765506 [0,1,0,0,0,1|1,0,0]=3 797 B13R0.493 CNC(=O)COC(C)CCC=C(C)C 34a_100102619829_100000183359 [0,1,0,0,0,1|1,0,0]=3 798 B13R0.493 CNC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000183359 [0,1,0,0,0,1|1,0,0]=3 799 B13R0.493 COC(=O)CCC(=O)CCC=C(C)C 1458a_100000187943_100011217483 [0,1,0,0,0,1|1,0,1]=4 800 B13R0.493 COC(=O)CCN(C)CCC=C(C)C 269982a_100025711912_100011217483 [0,1,0,0,0,1|1,0,0]=3 801 B13R0.493 COC(=O)CNC(C)CCCC(C)C 2230a_100000210607_100000747449 [0,1,0,0,0,1|0,0,2]=4 802 B13R0.493 COC(=O)COC(C)CCC=C(C)C 34a_100102619829_100000747449 [0,1,0,0,0,1|0,0,0]=2 803 B13R0.493 COC(=O)COC(C)CCC=C(C)C 7a_100102619829_100000747449 [0,1,0,0,0,1|0,0,0]=2 804 B13R0.493 COC(=O)COC(C)CCCC(C)C 34a_200011218570_100000747449 [0,1,0,0,0,1|0,0,2]=4 805 B13R0.493 COC(=O)COC(C)CCCC(C)C 7a_200011218570_100000747449 [0,1,0,0,0,1|0,0,2]=4 806 B13R0.493 COC(=O)NCC(=O)CCC=C(C)C 1458a_100000215747_100011217483 [0,1,0,0,0,1|1,0,1]=4 807 B13R0.493 CO[C@H](C)CNC(C)CCC=C(C)C 270004a_100020591295_100000765506 [0,1,0,0,0,1|1,0,1]=4 808 B13R0.615 CC(=O)SCC(C)CC(=O)C=C(C)C 1458a_100000211388_200000116872 [0,1,0,0,0,1|1,0,1]=4 809 B13R0.1157 CC(=O)OCC(CCl)OCC=C(C)C 7a_200000139349_100000761012 [0,1,0,0,0,1|2,0,0]=4 810 B13R0.1157 CCN(CCC=C(C)C)CCC(=O)N 2230a_100020645749_100011217483 [0,1,0,0,0,1|2,0,0]=4 811 B13R0.1403 C=C(C)CN(C)C(C)CCC=C(C)C 270004a_100000225649_100000765506 [0,1,0,0,0,1|2,0,0]=4 812 B13R0.1403 CC(=CCCC(C)N(C)CC(=O)N)C 270004a_100000739694_100000765506 [0,1,0,0,0,1|1,0,0]=3 813 B13R0.1403 CC(=CCCC(C)N(C)CC(C)O)C 270004a_100000227577_100000765506 [0,1,0,0,0,1|1,0,1]=4 814 B13R0.1426 CC(=CCCC(C)NCC(C)(C)O)C 270004a_100000751335_100000765506 [0,1,0,0,0,1|1,0,1]=4 815 B13R0.1426 CC(=CCCC(C)OCC(C)(C)O)C 34a_100102619829_100000764493 [0,1,0,0,0,1|1,0,1]=4 816 B13R0.1426 CC(=CCCC(C)OCC(C)(C)O)C 7a_100102619829_100000764493 [0,1,0,0,0,1|1,0,1]=4 817 B13R0.1426 CC(=CCCC(C)OCS(=O)(=O)[O-])C 34a_100102619829_100009817235 [0,1,0,0,0,1|1,0,1]=4 818 B13R0.50 CC(=CCCOC(C)C(C)[N+](=O)[O-])C 34a_200000034949_100011217483 [0,1,0,0,0,1|1,0,1]=4 819 B13R0.50 CC(=CCCOC(C)C(C)[N+](=O)[O-])C 7a_200000034949_100011217483 [0,1,0,0,0,1|1,0,1]=4 820 B13R0.50 CC(=CCCO[C@H](C)[C@H](N)C(=O)N)C 34a_100000003557_100011217483 [0,1,0,0,0,1|1,0,0]=3 821 B13R0.71 COC(=O)CC(=O)CSCC=C(C)C 62a_100000210525_100000761012 [0,1,0,0,0,1|1,0,1]=4 822 B13R0.71 COC(=O)CC(=O)CSCC=C(C)C 62a_100000761012_100000210525 [0,1,0,0,0,1|1,0,1]=4 823 B13R0.71 COC(=O)CC(C)NCCCC(C)C 2230a_200000737386_100009817358 [0,1,0,0,0,1|0,0,2]=4 824 B13R0.71 COC(=O)CC(C)NCCCC(C)C 34a_200000737386_100009817358 [0,1,0,0,0,1|0,0,2]=4 825 B13R0.71 COC(=O)CC(C)NCCNC(=O)C 2230a_100000209853_100009817358 [0,1,0,0,0,1|2,0,0]=4 826 B13R0.71 COC(=O)CC(C)NCCOC(C)C 2230a_100000701111_100009817358 [0,1,0,0,0,1|1,0,1]=4 827 B13R0.71 COC(=O)CC(C)NCCOC(C)C 34a_100000701111_100009817358 [0,1,0,0,0,1|1,0,1]=4 828 B13R0.71 COC(=O)CC(C)NCCSC(C)C 2230a_100000731138_100009817358 [0,1,0,0,0,1|1,0,1]=4 829 B13R0.71 COC(=O)CC(C)NCCSC(C)C 34a_100000731138_100009817358 [0,1,0,0,0,1|1,0,1]=4 830 B13R0.71 COC(=O)CC(C)OCCCC(=O)C 34a_100000759063_100009817358 [0,1,0,0,0,1|1,0,1]=4 831 B13R0.71 COC(=O)CC(C)OCCCC(=O)C 7a_100000759063_100009817358 [0,1,0,0,0,1|1,0,1]=4 832 B13R0.71 COC(=O)CC(C)OCCCC(C)C 34a_100000210774_100009817358 [0,1,0,0,0,1|0,0,2]=4 833 B13R0.71 COC(=O)CC(C)OCCCC(C)C 7a_100000210774_100009817358 [0,1,0,0,0,1|0,0,2]=4 834 B13R0.71 COC(=O)CC(C)OCCNC(=O)C 34a_100000158858_100009817358 [0,1,0,0,0,1|2,0,0]=4 835 B13R0.71 COC(=O)CC(C)OCCNC(C)C 34a_100000224655_100009817358 [0,1,0,0,0,1|1,0,1]=4 836 B13R0.71 COC(=O)CC(C)OCCOC(C)C 34a_100000211219_100009817358 [0,1,0,0,0,1|1,0,1]=4 837 B13R0.71 COC(=O)CC(C)OCCOC(C)C 7a_100000211219_100009817358 [0,1,0,0,0,1|1,0,1]=4 838 B13R0.71 COC(=O)CC(C)OCCSC(C)C 34a_200011212901_100009817358 [0,1,0,0,0,1|1,0,1]=4 839 B13R0.71 COC(=O)CC(C)OCCSC(C)C 7a_200011212901_100009817358 [0,1,0,0,0,1|1,0,1]=4 840 B13R0.71 COC(=O)CC(C)SCCC=C(C)C 62a_100009817358_100011217483 [0,1,0,0,0,1|0,0,0]=2 841 B13R0.71 COC(=O)CC(C)SCCC=C(C)C 62a_100011217483_100009817358 [0,1,0,0,0,1|0,0,0]=2 842 B13R0.71 COC(=O)CC(C)SCCC=C(F)F 62a_100009817358_200009816681 [0,1,0,0,0,1|2,0,0]=4 843 B13R0.71 COC(=O)CC(C)SCCC=C(F)F 62a_200009816681_100009817358 [0,1,0,0,0,1|2,0,0]=4 844 B13R0.71 COC(=O)CC(C)SCCCC(=O)C 62a_100009817358_100011215641 [0,1,0,0,0,1|1,0,1]=4 845 B13R0.71 COC(=O)CC(C)SCCCC(=O)C 62a_100011215641_100009817358 [0,1,0,0,0,1|1,0,1]=4 846 B13R0.71 COC(=O)CC(C)SCCCC(C)C 62a_100009817358_100011214892 [0,1,0,0,0,1|0,0,2]=4 847 B13R0.71 COC(=O)CC(C)SCCCC(C)C 62a_100011214892_100009817358 [0,1,0,0,0,1|0,0,2]=4 848 B13R0.71 COC(=O)CC(C)SCCCN(C)C 62a_100009817358_100000757444 [0,1,0,0,0,1|1,0,1]=4 849 B13R0.71 COC(=O)CC(C)SCCNC(=O)C 62a_100000189650_100009817358 [0,1,0,0,0,1|2,0,0]=4 850 B13R0.71 COC(=O)CC(C)SCCNC(=O)C 62a_100009817358_100000189650 [0,1,0,0,0,1|2,0,0]=4 851 B13R0.71 COC(=O)CC(C)SCCOC(=O)C 62a_100009814007_100009817358 [0,1,0,0,0,1|2,0,0]=4 852 B13R0.71 COC(=O)CC(C)SCCOC(=O)C 62a_100009817358_100009814007 [0,1,0,0,0,1|2,0,0]=4 853 B13R0.71 COC(=O)CC(C)SCCOC(C)C 62a_100000211751_100009817358 [0,1,0,0,0,1|1,0,1]=4 854 B13R0.71 COC(=O)CC(C)SCCOC(C)C 62a_100009817358_100000211751 [0,1,0,0,0,1|1,0,1]=4 855 B13R0.71 COC(=O)CC(C)SCCSC(C)C 62a_100000730970_100009817358 [0,1,0,0,0,1|1,0,1]=4 856 B13R0.71 COC(=O)CC(C)SCCSC(C)C 62a_100009817358_100000730970 [0,1,0,0,0,1|1,0,1]=4 857 B13R0.71 COC(=O)C[C@@H](O)CNCC=C(C)C 34a_100000718196_100000754131 [0,1,0,0,0,1|1,0,0]=3 858 B13R0.71 COC(=O)C[C@@H](O)COCC=C(C)C 34a_100000753907_100000754131 [0,1,0,0,0,1|1,0,0]=3 859 B13R0.71 COC(=O)C[C@@H](O)CSCC=C(C)C 62a_100000754131_100000761012 [0,1,0,0,0,1|1,0,0]=3 860 B13R0.71 COC(=O)C[C@@H](O)CSCC=C(C)C 62a_100000761012_100000754131 [0,1,0,0,0,1|1,0,0]=3 861 B13R0.76 CC(C)NC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000737564 [0,1,0,0,0,1|1,0,1]=4 862 B13R0.76 CC(C)OC(=O)CCN(C)CC(=O)O 269956a_100000746989_100000760027 [0,1,0,0,0,1|1,0,1]=4 863 B13R0.78 CC(=O)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100011261029 [0,1,0,0,0,1|2,0,0]=4 864 B13R0.78 CC(C)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000753385 [0,1,0,0,0,1|1,0,1]=4 865 B13R0.78 CN(C)C(=O)CNCC(O)CC(=O)O 269956a_100011218706_100000692301 [0,1,0,0,0,1|2,0,0]=4 866 B13R0.78 CN(CCCC(=O)N(C)C)CC(=O)O 269956a_100000746989_100000737642 [0,1,0,0,0,1|2,0,0]=4 867 B13R0.821 CC(=CCCNC(C)(C)CC(=O)N)C 2230a_100000763158_100011217483 [0,1,0,0,0,1|1,0,0]=3 868 B13R0.821 CC(=CCCNC(C)(C)CC(=O)O)C 269956a_100000755897_100011217483 [0,1,0,0,0,1|0,0,0]=2 869 B13R0.821 CC(=O)CC(C)(C)OCCC=C(C)C 7a_100000210262_100011217483 [0,1,0,0,0,1|1,0,0]=3 870 B13R0.821 CC(=O)CCCNC(C)(C)CC(=O)O 269956a_100000755897_100011215641 [0,1,0,0,0,1|1,0,1]=4 871 B13R0.821 CC(=O)NCCNC(C)(C)CC(=O)O 269956a_100000755897_100000189650 [0,1,0,0,0,1|2,0,0]=4 872 B13R0.821 CC(=O)OCCNC(C)(C)CC(=O)O 269956a_100000755897_100009814007 [0,1,0,0,0,1|2,0,0]=4 873 B13R0.821 CC(C)(CC(=O)O)NCCC=C(F)F 269956a_100000755897_200009816681 [0,1,0,0,0,1|2,0,0]=4 874 B13R0.821 CC(C)CCCNC(C)(C)CC(=O)O 269956a_100000755897_100011214892 [0,1,0,0,0,1|0,0,2]=4 875 B13R0.821 CC(C)OCCNC(C)(C)CC(=O)O 269956a_100000755897_100000211751 [0,1,0,0,0,1|1,0,1]=4 876 B13R0.821 CC(C)SCCNC(C)(C)CC(=O)O 269956a_100000755897_100000730970 [0,1,0,0,0,1|1,0,1]=4 877 B13R0.821 CN(C)CCCNC(C)(C)CC(=O)O 269956a_100000755897_100000757444 [0,1,0,0,0,1|1,0,1]=4 878 B13R0.1236 CC(=CCCN[C@H](CO)CC(=O)O)C 269956a_100009816507_100011217483 [0,1,0,0,0,1|0,0,0]=2 879 B13R0.1236 CC(=O)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011215641 [0,1,0,0,0,1|1,0,1]=4 880 B13R0.1236 CC(=O)NCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000189650 [0,1,0,0,0,1|2,0,0]=4 881 B13R0.1236 CC(=O)OCCN[C@H](CO)CC(=O)O 269956a_100009816507_100009814007 [0,1,0,0,0,1|2,0,0]=4 882 B13R0.1236 CC(C)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100011214892 [0,1,0,0,0,1|0,0,2]=4 883 B13R0.1236 CC(C)OCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000211751 [0,1,0,0,0,1|1,0,1]=4 884 B13R0.1236 CC(C)SCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000730970 [0,1,0,0,0,1|1,0,1]=4 885 B13R0.1236 CC[C@H](CC(=O)O)NCCC=C(C)C 269956a_100016995926_100011217483 [0,1,0,0,0,1|0,0,0]=2 886 B13R0.1236 CC[C@H](CC(=O)O)NCCC=C(F)F 269956a_100016995926_200009816681 [0,1,0,0,0,1|2,0,0]=4 887 B13R0.1236 CC[C@H](CC(=O)O)NCCCC(=O)C 269956a_100016995926_100011215641 [0,1,0,0,0,1|1,0,1]=4 888 B13R0.1236 CC[C@H](CC(=O)O)NCCCC(C)C 269956a_100016995926_100011214892 [0,1,0,0,0,1|0,0,2]=4 889 B13R0.1236 CC[C@H](CC(=O)O)NCCCN(C)C 269956a_100016995926_100000757444 [0,1,0,0,0,1|1,0,1]=4 890 B13R0.1236 CC[C@H](CC(=O)O)NCCNC(=O)C 269956a_100016995926_100000189650 [0,1,0,0,0,1|2,0,0]=4 891 B13R0.1236 CC[C@H](CC(=O)O)NCCOC(=O)C 269956a_100016995926_100009814007 [0,1,0,0,0,1|2,0,0]=4 892 B13R0.1236 CC[C@H](CC(=O)O)NCCOC(C)C 269956a_100016995926_100000211751 [0,1,0,0,0,1|1,0,1]=4 893 B13R0.1236 CC[C@H](CC(=O)O)NCCSC(C)C 269956a_100016995926_100000730970 [0,1,0,0,0,1|1,0,1]=4 894 B13R0.1236 CN(C)CCCN[C@H](CO)CC(=O)O 269956a_100009816507_100000757444 [0,1,0,0,0,1|1,0,1]=4 895 B13R0.1236 O=C(O)C[C@@H](CO)NCCC=C(F)F 269956a_100009816507_200009816681 [0,1,0,0,0,1|2,0,0]=4 896 B13R0.334 COC(=O)CC(C)OC(C)C=C(C)C 34a_100000717055_100009817358 [0,2,0,0,0,0|1,0,0]=3 897 B13R0.334 COC(=O)C[C@@H](C)NC(=O)C=C(C)C 188690a_100016994721_100000211388 [0,2,0,0,0,0|1,0,1]=4 898 B13R0.73 CNC(=O)CC(C)N(C)CC=C(C)C 2230a_100015186911_100000761012 [0,2,0,0,0,0|2,0,0]=4 899 B13R0.73 CNC(=O)CC(C)N(C)CC=C(C)C 269982a_100015186911_100000761012 [0,2,0,0,0,0|2,0,0]=4 900 B13R0.73 COC(=O)CC(C)C(=O)CC=C(C)C 1458a_100000037256_100000761012 [0,2,0,0,0,0|0,0,1]=3 901 B13R0.73 COC(=O)CN(C)C(=O)CC=C(C)C 11a_100000198492_100011220947 [0,2,0,0,0,0|1,0,1]=4 902 B13R0.73 COC(=O)CN(C)C(=O)CC=C(C)C 1626a_100000198492_100011220947 [0,2,0,0,0,0|1,0,1]=4 903 B13R0.73 COC(=O)CN(C)C(=O)CC=C(C)C 240690a_100000198492_100011220947 [0,2,0,0,0,0|1,0,1]=4 904 B13R0.73 COC(=O)CN(C)C(=O)CC=C(C)C 527a_100000198492_100011220947 [0,2,0,0,0,0|1,0,1]=4 905 B13R0.207 CC[C@@H](CC(=O)OC)OCC=C(C)C 7a_200015357724_100000761012 [0,2,0,0,0,0|1,0,0]=3 906 B13R0.207 COC(=O)C[C@H](CCl)OCC=C(C)C 7a_100000754131_100000761012 [0,2,0,0,0,0|1,0,0]=3 907 B13R0.249 COC(=O)CC(C)NCC(=O)N(C)C 2230a_100015183351_100009817358 [0,2,0,0,0,0|2,0,0]=4 908 B13R0.249 COC(=O)CC(C)SCC(=O)C(=O)C 62a_100009817358_100011261029 [0,2,0,0,0,0|2,0,0]=4 909 B13R0.249 COC(=O)CC(C)SCC(=O)C(=O)C 62a_100011261029_100009817358 [0,2,0,0,0,0|2,0,0]=4 910 B13R0.249 COC(=O)CC(C)SCC(=O)C(C)C 62a_100000753385_100009817358 [0,2,0,0,0,0|1,0,1]=4 911 B13R0.249 COC(=O)CC(C)SCC(=O)C(C)C 62a_100009817358_100000753385 [0,2,0,0,0,0|1,0,1]=4 912 B13R0.249 COC(=O)CC(C)SCC(=O)N(C)C 62a_100000692301_100009817358 [0,2,0,0,0,0|2,0,0]=4 913 B13R0.249 COC(=O)CC(C)SCC(=O)N(C)C 62a_100009817358_100000692301 [0,2,0,0,0,0|2,0,0]=4 914 B13R0.249 COC(=O)CN(C)CCC(=O)N(C)C 2230a_100000198492_100000737620 [0,2,0,0,0,0|2,0,0]=4 915 B13R0.255 CNC(=O)[C@@H](N)[C@@H](C)OCC=C(C)C 34a_100102634413_100000761012 [0,2,0,0,0,0|2,0,0]=4 916 B13R0.255 COC(=O)C(=O)C(C)NCC=C(C)C 34a_100000718196_100000692041 [0,2,0,0,0,0|1,0,1]=4 917 B13R0.255 COC(=O)C(=O)C(C)OCC=C(C)C 34a_100000753907_100000692041 [0,2,0,0,0,0|1,0,1]=4 918 B13R0.255 COC(=O)C(=O)C(C)SCC=C(C)C 62a_100000692041_100000761012 [0,2,0,0,0,0|1,0,1]=4 919 B13R0.255 COC(=O)C(=O)C(C)SCC=C(C)C 62a_100000761012_100000692041 [0,2,0,0,0,0|1,0,1]=4 920 B13R0.255 COC(=O)C(C)C(=O)CCC=C(C)C 1458a_100012027023_100011217483 [0,2,0,0,0,0|1,0,1]=4 921 B13R0.255 COC(=O)C(C)N(C)CCC=C(C)C 2230a_100000725243_100011217483 [0,2,0,0,0,0|1,0,0]=3 922 B13R0.255 COC(=O)C(C)N(C)CCC=C(C)C 269982a_100000725243_100011217483 [0,2,0,0,0,0|1,0,0]=3 923 B13R0.255 COC(=O)[C@@H](N)[C@@H](C)OCC=C(C)C 34a_100000004424_100000761012 [0,2,0,0,0,0|1,0,0]=3 924 B13R0.331 C#CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000184674 [0,2,0,0,0,0|1,0,0]=3 925 B13R0.331 C=CCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210623 [0,2,0,0,0,0|1,0,0]=3 926 B13R0.331 CC(=CCCC(=CC(=O)CCO)C)C 1458a_100016995320_100000211926 [0,2,0,0,0,0|0,0,2]=4 927 B13R0.331 CC(=CCCC(C)CC(=O)CC#N)C 1458a_100000043202_100011214920 [0,2,0,0,0,0|1,0,0]=3 928 B13R0.331 CC(=CCCC(C)CC(=O)CCF)C 1458a_100000043202_100011217306 [0,2,0,0,0,0|1,0,0]=3 929 B13R0.331 CC(=CCCC(C)CC(=O)CCO)C 1458a_100000043202_100000211926 [0,2,0,0,0,0|0,0,0]=2 930 B13R0.331 CC(=CCCC(C)CN(C)CCO)C 270004a_100000210263_100000033009 [0,2,0,0,0,0|2,0,0]=4 931 B13R0.331 CCCC(=O)CC(C)CCC=C(C)C 1458a_100000043202_100000210303 [0,2,0,0,0,0|1,0,0]=3 932 B13R0.331 CCNC(=O)CC(C)CCC=C(C)C 11a_100015525214_100000043202 [0,2,0,0,0,0|1,0,0]=3 933 B13R0.331 CCNC(=O)CC(C)CCC=C(C)C 240690a_100015525214_100000043202 [0,2,0,0,0,0|1,0,0]=3 934 B13R0.331 CCNC(=O)CC(C)CCC=C(C)C 527a_100015525214_100000043202 [0,2,0,0,0,0|1,0,0]=3 935 B13R0.331 CCNC(=O)CN(C)CCC=C(C)C 2230a_100000741943_100011217483 [0,2,0,0,0,0|2,0,0]=4 936 B13R0.331 CCNC(=O)CN(C)CCC=C(C)C 269982a_100000741943_100011217483 [0,2,0,0,0,0|2,0,0]=4 937 B13R0.331 CCOC(=O)CC(=O)CCC=C(C)C 1458a_100000243816_100011217483 [0,2,0,0,0,0|1,0,1]=4 938 B13R0.331 CCOC(=O)CC(C)SCC=C(C)C 62a_100000761012_100009817359 [0,2,0,0,0,0|1,0,0]=3 939 B13R0.331 CCOC(=O)CC(C)SCC=C(C)C 62a_100009817359_100000761012 [0,2,0,0,0,0|1,0,0]=3 940 B13R0.331 CCOC(=O)CN(C)CCC=C(C)C 2230a_100000220588_100011217483 [0,2,0,0,0,0|1,0,0]=3 941 B13R0.331 CCOC(=O)C[C@@H](C)OCC=C(C)C 7a_100009816390_100000761012 [0,2,0,0,0,0|1,0,0]=3 942 B13R0.331 CCOC(=O)OC(C)SCC=C(C)C 62a_100000036008_100000761012 [0,2,0,0,0,0|2,0,0]=4 943 B13R0.331 CCOC(=O)OC(C)SCC=C(C)C 62a_100000761012_100000036008 [0,2,0,0,0,0|2,0,0]=4 944 B13R0.331 CNNC(=O)CC(C)CCC=C(C)C 22a_100016993582_100000043202 [0,2,0,0,0,0|1,0,0]=3 945 B13R0.429 C#C/C(=C\COC(C)CC(=O)OC)/C 34a_100016990848_100009817358 [0,2,0,0,0,0|1,0,1]=4 946 B13R0.1278 COC(=O)CC(C)(C)OCC=C(C)C 7a_100015205050_100000761012 [0,2,0,0,0,0|1,0,0]=3 947 B13R0.443 CC(=CCNC(CC(=O)O)C(C)C)C 269956a_100000695669_100000761012 [0,2,0,0,0,0|1,0,0]=3 948 B13R0.631 C#CCN(CCC=C(C)C)CC(=O)O 269956a_100011236498_100011217483 [0,2,0,0,0,0|1,0,0]=3 949 B13R0.631 C=CCN(CCC=C(C)C)CC(=O)O 269956a_100000744315_100011217483 [0,2,0,0,0,0|1,0,0]=3 950 B13R0.631 CC(=CCCN(CCO)CC(=O)O)C 269956a_100000747938_100011217483 [0,2,0,0,0,0|1,0,0]=3 951 B13R0.1159 CCN(CCC=C(C)C)C(C)C(=O)N 2230a_100020603310_100011217483 [0,2,0,0,0,0|2,0,0]=4 952 B13R0.1159 CCN(CCC=C(C)C)C(C)C(=O)N 269982a_100020603310_100011217483 [0,2,0,0,0,0|2,0,0]=4 953 B13R0.1393 CC(=O)C(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100011261029 [0,2,0,0,0,0|2,0,0]=4 954 B13R0.1393 CC(C)C(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000753385 [0,2,0,0,0,0|1,0,1]=4 955 B13R0.1393 CCN(CCC(=O)N(C)C)CC(=O)O 269956a_100000746405_100000737620 [0,2,0,0,0,0|2,0,0]=4 956 B13R0.1393 CC[C@H](CC(=O)O)NCC(=O)C(=O)C 269956a_100016995926_100011261029 [0,2,0,0,0,0|2,0,0]=4 957 B13R0.1393 CC[C@H](CC(=O)O)NCC(=O)C(C)C 269956a_100016995926_100000753385 [0,2,0,0,0,0|1,0,1]=4 958 B13R0.1393 CC[C@H](CC(=O)O)NCC(=O)N(C)C 269956a_100016995926_100000692301 [0,2,0,0,0,0|2,0,0]=4 959 B13R0.1393 CN(C)C(=O)CN[C@H](CO)CC(=O)O 269956a_100009816507_100000692301 [0,2,0,0,0,0|2,0,0]=4 960 B13R0.1218 CC(=CCCN(C)[C@@H](CO)C(=O)O)C 269956a_100015362447_100011217483 [0,2,0,0,0,0|1,0,0]=3 961 B13R0.1218 CC[C@@H](C(=O)N)N(C)CCC=C(C)C 2230a_103436537554_100011217483 [0,2,0,0,0,0|2,0,0]=4 962 B13R0.1218 CC[C@@H](C(=O)N)N(C)CCC=C(C)C 269982a_103436537554_100011217483 [0,2,0,0,0,0|2,0,0]=4 963 B13R0.1238 CC(C(=O)O)N(C)CCC(=O)N(C)C 269956a_100000749554_100000737620 [0,2,0,0,0,0|2,0,0]=4 964 B13R0.629 CC(=O)C(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100011261029 [0,2,0,0,0,0|2,0,0]=4 965 B13R0.629 CC(C)C(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000753385 [0,2,0,0,0,0|1,0,1]=4 966 B13R0.629 CN(C)C(=O)CNC(C)(C)CC(=O)O 269956a_100000755897_100000692301 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.154 C=C1CC(C1)NCC=C(C)C 2230a_100132301982_100000761012 [1,0,0,1,0,0|2,0,0]=4 968 B11R1.154 CC(=CCCN1CC(C1)O)C 269982a_100000749847_100011217483 [1,0,0,1,0,0|1,0,1]=4 969 B11R1.154 CC(=CCN[C@H]1C[C@@H](C1)O)C 2230a_100020629032_100000761012 [1,0,0,1,0,0|1,0,1]=4 970 B11R1.154 CC(=CCSC1CC(=O)C1)C 62a_100009894365_100000761012 [1,0,0,1,0,0|1,0,0]=3 971 B11R1.172 CC(=CCCN1CC=CC1)C 269982a_100015195280_100011217483 [1,0,0,1,0,0|2,0,0]=4 972 B11R1.172 CC(=CCNC1CC=CC1)C 2230a_100015188752_100000761012 [1,0,0,1,0,0|2,0,0]=4 973 B11R1.172 CC(=CCNC1CCOC1)C 270004a_100000718196_100000752484 [1,0,0,1,0,0|1,0,1]=4 974 B11R1.172 CC(=CCNC1CCOC1)C 34a_100000718196_100000690089 [1,0,0,1,0,0|1,0,1]=4 975 B11R1.172 CC(=CCN[C@@H]1CCOC1)C 2230a_200015188469_100000761012 [1,0,0,1,0,0|1,0,1]=4 976 B11R1.172 CC(=CCN[C@H]1CCOC1)C 2230a_100015188467_100000761012 [1,0,0,1,0,0|1,0,1]=4 977 B11R1.172 CC(=CCN[C@H]1CCOC1)C 34a_100015188467_100000761012 [1,0,0,1,0,0|1,0,1]=4 978 B11R1.172 CC(=CCOC1CCOC1)C 34a_100000753907_100000690089 [1,0,0,1,0,0|1,0,1]=4 979 B11R1.172 CC(=CCO[C@H]1CCOC1)C 34a_100000717292_100000761012 [1,0,0,1,0,0|1,0,1]=4 980 B11R1.172 CC(=CCSC1CCOC1)C 62a_100000761012_100000690089 [1,0,0,1,0,0|1,0,1]=4 981 B11R1.720 CC(=CCNC(C)C1CO1)C 270004a_100000718196_100000031964 [1,0,0,1,0,0|1,0,1]=4 982 B11R1.27 C/C=C/COC1CCC(=O)C1 34a_100012614533_100102629194 [1,0,0,1,0,0|2,0,0]=4 983 B11R1.27 C/C=C/COC1CNC(=O)C1 34a_100000690082_100102629194 [1,0,0,1,0,0|2,0,0]=4 984 B11R1.27 C/C=C/COC1COC(=O)O1 34a_100016270725_100000032252 [1,0,0,1,0,0|2,0,0]=4 985 B11R1.27 C/C=C/CSC1COC(=O)O1 62a_100102629194_100000032252 [1,0,0,1,0,0|2,0,0]=4 986 B11R1.27 CC=CCNC1CNC(=O)C1 2230a_100000697751_100000070051 [1,0,0,1,0,0|2,0,0]=4 987 B11R1.27 CC=CCOC1CCC(=O)C1 34a_100012614533_100000070051 [1,0,0,1,0,0|2,0,0]=4 988 B11R1.27 CC=CCOC1CNC(=O)C1 34a_100000690082_100000070051 [1,0,0,1,0,0|2,0,0]=4 989 B11R1.27 CC=CCSC1COC(=O)O1 62a_100000070051_100000032252 [1,0,0,1,0,0|2,0,0]=4 990 B11R1.43 CCN1CCC(C1)CC(=O)O 269956a_100000719201_100000210202 [1,0,0,1,0,0|1,0,1]=4 991 B11R1.178 CC(C)N1CCC[C@H]1C(=O)O 269956a_100000743916_100000210206 [1,0,0,1,0,0|1,0,1]=4 992 B11R1.20 CC(=O)CC1CCC(CC1)C 1458a_100011215564_200000210301 [0,0,0,1,1,0|1,0,1]=4 993 B11R1.20 CC(=O)CC1CCN(CC1)C 1458a_100000700355_200000210301 [0,0,0,1,1,0|2,0,0]=4 994 B11R1.20 CC1=CCN(CC1)CC(=O)N 2230a_100000693516_100000747473 [0,0,0,1,1,0|2,0,0]=4 995 B11R1.20 CC1=CCN(CC1)CC(=O)N 269982a_100000693516_100000187820 [0,0,0,1,1,0|2,0,0]=4 996 B11R1.20 CC1=CCN(CC1)CC(=O)N 34a_100000693516_100000187820 [0,0,0,1,1,0|2,0,0]=4 997 B11R1.20 CC1=CCN(CC1)CC(=O)[O-] 269982a_100000693516_100020667443 [0,0,0,1,1,0|1,0,1]=4 998 B11R1.20 CC1=CCN(CC1)CC(=O)[O-] 34a_100000693516_100020667443 [0,0,0,1,1,0|1,0,1]=4 999 B11R1.20 CC1CCC(CC1)CC(=O)[13CH3] 1458a_100011215564_200025704644 [0,0,0,1,1,0|1,0,1]=4 1000 B11R1.20 CN1CCC(CC1)CC(=O)N 2230a_100011221598_200000210301 [0,0,0,1,1,0|2,0,0]=4 1001 B11R1.20 CN1CCC(CC1)CC(=O)N 34a_100011221598_200000210301 [0,0,0,1,1,0|2,0,0]=4 1002 B11R1.20 CN1CCC(CC1)CC(=O)[13CH3] 1458a_100000700355_200025704644 [0,0,0,1,1,0|2,0,0]=4 1003 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 2230a_100011221598_200025704644 [0,0,0,1,1,0|2,0,0]=4 1004 B11R1.20 [13CH3]N1CCC(CC1)CC(=O)N 34a_100011221598_200025704644 [0,0,0,1,1,0|2,0,0]=4 1005 B11R1.152 CN(CC(=O)O)C1CC(=O)C1 269956a_100000746989_100009894365 [0,0,0,1,1,0|2,0,0]=4 1006 B11R1.167 CN1CCN(C(C1)C(=O)O)C 269956a_100020626280_200000210301 [0,0,0,1,1,0|2,0,0]=4 1007 B11R1.167 CN1CCN(C(C1)C(=O)O)[13CH3] 269956a_100020626280_200025704644 [0,0,0,1,1,0|2,0,0]=4 1008 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)C 269956a_100009817619_200000210301 [0,0,0,1,1,0|1,0,1]=4 1009 B11R1.167 C[C@@H]1CCN([C@H](C1)C(=O)O)[13CH3] 269956a_100009817619_200025704644 [0,0,0,1,1,0|1,0,1]=4 1010 B11R1.743 CC(C)N1CC(C1)CC(=O)O 269956a_100016993960_100000210206 [0,0,0,1,1,0|1,0,1]=4 1011 B11R1.161 CC(=CCNC1CCC1=O)C 34a_100000718196_100009892977 [0,0,0,1,1,0|2,0,0]=4 1012 B11R1.161 CC(=CCOC1CCC1=O)C 34a_100000753907_100009892977 [0,0,0,1,1,0|2,0,0]=4 1013 B11R1.161 CC(=CCSC1CCC1=O)C 62a_100000761012_100009892977 [0,0,0,1,1,0|2,0,0]=4 1014 B11R1.161 CC(=CCSC1CCC1=O)C 62a_100009892977_100000761012 [0,0,0,1,1,0|2,0,0]=4 1015 B13R1.165 CC(C)N1CC[C@H](C[C@@H]1C(=O)O)C 269956a_100009817619_100000210206 [0,0,0,1,0,1|1,0,1]=4 1016 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 2230a_100000748762_100000761012 [0,0,0,1,0,1|2,0,0]=4 1017 B13R1.513 CC(=CCNC1CCC(=O)NC1)C 34a_100000748762_100000761012 [0,0,0,1,0,1|2,0,0]=4 1018 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 34a_100000764474_100000761012 [0,0,0,1,0,1|2,0,0]=4 1019 B13R1.513 CC(=CCOC1CCC(=O)CC1)C 7a_100000764474_100000761012 [0,0,0,1,0,1|2,0,0]=4 1020 B13R1.513 CC(=CCOC1CCC(=O)NC1)C 34a_100000079199_100000761012 [0,0,0,1,0,1|2,0,0]=4 1021 B13R1.513 CC(=CCOC1CNC(=O)NC1)C 34a_100000080929_100000761012 [0,0,0,1,0,1|2,0,0]=4 1022 B13R1.1035 CC1(CC(CCO1)NCC(=O)O)C 269956a_100016091260_100010191092 [0,0,0,1,0,1|1,0,1]=4 1023 B13R1.1048 CC(=CCCC(C)OCC1CO1)C 34a_100102619829_102125554688 [0,0,0,1,0,1|1,0,1]=4 1024 B13R1.1048 CC(=CCCC(C)OCC1CO1)C 7a_100102619829_102125554688 [0,0,0,1,0,1|1,0,1]=4 1025 B13R1.1048 CC(=CCCC(C)OC[C@@H]1CO1)C 7a_100102619829_100000745022 [0,0,0,1,0,1|1,0,1]=4 1026 B13R1.1989 CC(=CCCN1CC(C1)C(=O)N)C 34a_100025753142_100011217483 [0,0,0,1,0,1|2,0,0]=4 1027 B13R1.1989 CC(=CCN[C@H]1C[C@H](C1)C(=O)O)C 269956a_100000738708_100000761012 [0,0,0,1,0,1|1,0,0]=3 1028 B13R1.1989 CC(=O)N1CC(C1)NCC=C(C)C 2230a_100102955437_100000761012 [0,0,0,1,0,1|2,0,0]=4 1029 B13R1.128 CC(=CCCNC1CNC(=O)C1)C 2230a_100000697751_100011217483 [0,0,0,1,0,1|1,0,0]=3 1030 B13R1.128 CC(=CCCN[C@H]1CC[C@H](C1)O)C 2230a_100015195300_100011217483 [0,0,0,1,0,1|1,0,1]=4 1031 B13R1.128 CC(=CCCOC1CCC(=O)C1)C 34a_100012614533_100011217483 [0,0,0,1,0,1|1,0,0]=3 1032 B13R1.128 CC(=CCCOC1CNC(=O)C1)C 34a_100000690082_100011217483 [0,0,0,1,0,1|1,0,0]=3 1033 B13R1.128 CC(=CCCSC1COC(=O)O1)C 62a_100011217483_100000032252 [0,0,0,1,0,1|1,0,0]=3 1034 B13R1.128 CC(=CCNCC1=CC(=O)OC1)C 34a_100000718196_100000716558 [0,0,0,1,0,1|0,0,2]=4 1035 B13R1.128 CC(=CCNCC1CNC(=O)C1)C 2230a_100016993742_100000761012 [0,0,0,1,0,1|1,0,0]=3 1036 B13R1.128 CC(=CCNCC1CNC(=O)C1)C 34a_100016993742_100000761012 [0,0,0,1,0,1|1,0,0]=3 1037 B13R1.128 CC(=CCNCC1CNC(=O)O1)C 34a_100000718196_100000181169 [0,0,0,1,0,1|2,0,0]=4 1038 B13R1.128 CC(=CCNCC1COC(=O)O1)C 34a_100000718196_100000073702 [0,0,0,1,0,1|1,0,0]=3 1039 B13R1.128 CC(=CCNC[C@H]1CCC(=O)N1)C 2230a_100015423886_100000761012 [0,0,0,1,0,1|2,0,0]=4 1040 B13R1.128 CC(=CCNC[C@H]1CCC(=O)N1)C 34a_100015423886_100000761012 [0,0,0,1,0,1|2,0,0]=4 1041 B13R1.128 CC(=CCNC[C@H]1COC(=O)N1)C 34a_100000718196_100015307671 [0,0,0,1,0,1|1,0,0]=3 1042 B13R1.128 CC(=CCOCC1=CC(=O)OC1)C 34a_100000753907_100000716558 [0,0,0,1,0,1|0,0,2]=4 1043 B13R1.128 CC(=CCOCC1CCC(=O)N1)C 34a_100000737831_100000761012 [0,0,0,1,0,1|2,0,0]=4 1044 B13R1.128 CC(=CCOCC1CNC(=O)C1)C 34a_100016041077_100000761012 [0,0,0,1,0,1|1,0,0]=3 1045 B13R1.128 CC(=CCOCC1CNC(=O)O1)C 34a_100000753907_100000181169 [0,0,0,1,0,1|2,0,0]=4 1046 B13R1.128 CC(=CCOCC1CNC(=O)O1)C 34a_100011315639_100000761012 [0,0,0,1,0,1|2,0,0]=4 1047 B13R1.128 CC(=CCOCC1COC(=O)O1)C 34a_100000753907_100000073702 [0,0,0,1,0,1|1,0,0]=3 1048 B13R1.128 CC(=CCOC[C@H]1COC(=O)N1)C 34a_100000753907_100015307671 [0,0,0,1,0,1|1,0,0]=3 1049 B13R1.128 CC(=CCSCC1=CC(=O)OC1)C 62a_100000716558_100000761012 [0,0,0,1,0,1|0,0,2]=4 1050 B13R1.128 CC(=CCSCC1=CC(=O)OC1)C 62a_100000761012_100000716558 [0,0,0,1,0,1|0,0,2]=4 1051 B13R1.128 CC(=CCSCC1CNC(=O)O1)C 62a_100000181169_100000761012 [0,0,0,1,0,1|2,0,0]=4 1052 B13R1.128 CC(=CCSCC1CNC(=O)O1)C 62a_100000761012_100000181169 [0,0,0,1,0,1|2,0,0]=4 1053 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000073702_100000761012 [0,0,0,1,0,1|1,0,0]=3 1054 B13R1.128 CC(=CCSCC1COC(=O)O1)C 62a_100000761012_100000073702 [0,0,0,1,0,1|1,0,0]=3 1055 B13R1.128 CC(=CCSC[C@@H]1CCC(=O)N1)C 62a_100000761012_100015189358 [0,0,0,1,0,1|2,0,0]=4 1056 B13R1.128 CC(=CCSC[C@@H]1CCC(=O)N1)C 62a_100015189358_100000761012 [0,0,0,1,0,1|2,0,0]=4 1057 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100000761012_100015307671 [0,0,0,1,0,1|1,0,0]=3 1058 B13R1.128 CC(=CCSC[C@H]1COC(=O)N1)C 62a_100015307671_100000761012 [0,0,0,1,0,1|1,0,0]=3 1059 B13R1.147 CC(=O)OC(C)N1CCC=C(C1)C 269982a_100000725631_100009818208 [0,0,0,1,0,1|2,0,0]=4 1060 B13R1.583 C=C(C)CN1CCC(C1)CC(=O)O 269956a_100000719201_100000748629 [0,0,0,1,0,1|0,0,2]=4 1061 B13R1.583 CC(C)CN1CCC(C1)CC(=O)O 269956a_100000719201_100000210760 [0,0,0,1,0,1|0,0,2]=4 1062 B13R1.587 CC(C)N1CCCC(C1)CC(=O)O 269956a_100015207179_100000210206 [0,0,0,1,0,1|0,0,2]=4 1063 B13R1.587 CC(C)N1CCOC(C1)CC(=O)O 269956a_100015183369_100000210206 [0,0,0,1,0,1|1,0,1]=4 1064 B13R1.7747 CC(=CCCNC1CS(=O)(=O)C1)C 2230a_100000695474_100011217483 [0,0,0,1,0,1|1,0,1]=4 1065 B13R1.7747 CC(=CCCNC1CS(=O)(=O)C1)C 34a_100000695474_100011217483 [0,0,0,1,0,1|1,0,1]=4 1066 B13R1.7747 CC(=CCCN[C@H]1C[C@@](C1)(C)O)C 2230a_100121572536_100011217483 [0,0,0,1,0,1|1,0,1]=4 1067 B13R1.7747 CC(=CCCOC1CS(=O)(=O)C1)C 34a_100000072295_100011217483 [0,0,0,1,0,1|1,0,1]=4 1068 B13R1.7747 CC(=CCCOC1CS(=O)(=O)C1)C 7a_100000072295_100011217483 [0,0,0,1,0,1|1,0,1]=4 1069 B13R1.7747 CC(=CCNC[C@H]1C[C@@](C1)(C)O)C 2230a_100015257651_100000761012 [0,0,0,1,0,1|1,0,1]=4 1070 B13R1.584 CC(C)(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000211941 [0,1,0,1,0,0|1,0,1]=4 1071 B13R1.149 CC(=CCCN1CCNC(=O)C1)C 2230a_100000184651_100011217483 [0,1,0,1,0,0|2,0,0]=4 1072 B13R1.149 CC(=CCCN1CCOC(=O)C1)C 2230a_100000131268_100011217483 [0,1,0,1,0,0|1,0,0]=3 1073 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 2230a_100016994916_100000761012 [0,1,0,1,0,0|2,0,0]=4 1074 B13R1.149 CC(=CCNC1CCNC(=O)C1)C 34a_100016994916_100000761012 [0,1,0,1,0,0|2,0,0]=4 1075 B13R1.149 CC(=CCOC1CCCC(=O)C1)C 34a_100012613340_100000761012 [0,1,0,1,0,0|2,0,0]=4 1076 B13R1.149 CC(=CCO[C@@H]1CCNC(=O)C1)C 34a_100015189427_100000761012 [0,1,0,1,0,0|2,0,0]=4 1077 B13R1.1684 COC(=O)C1CN1CCC=C(C)C 2230a_200009830135_100011217483 [0,1,0,1,0,0|1,0,0]=3 1078 B13R1.1706 CC(C)N1CCC(C1)CC(=O)CO 1458a_100000210174_100015187125 [0,1,0,1,0,0|1,0,1]=4 1079 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 11a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1080 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 1626a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1081 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 240690a_100020634416_100015343762 [0,1,0,1,0,0|2,0,0]=4 1082 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(=O)C 527a_100020634416_100103153847 [0,1,0,1,0,0|2,0,0]=4 1083 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(C)C 2230a_100020634416_100000210206 [0,1,0,1,0,0|1,0,1]=4 1084 B13R1.1706 COC(=O)C[C@H]1CCN(C1)C(C)C 269982a_100020634416_100000210206 [0,1,0,1,0,0|1,0,1]=4 1085 B13R1.3443 CC(=CCNC1CC(=O)N(C1)C)C 2230a_100000748898_100000761012 [0,1,0,1,0,0|2,0,0]=4 1086 B13R1.3443 CC(=CCNC1CC(=O)N(C1)C)C 34a_100000748898_100000761012 [0,1,0,1,0,0|2,0,0]=4 1087 B13R1.533 CCC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100000758301 [0,1,0,1,0,0|1,0,1]=4 1088 B13R1.533 COC(C)N1CCC(C1)CC(=O)O 269956a_100000719201_100009879195 [0,1,0,1,0,0|1,0,1]=4 1089 B13R1.533 C[C@H](CO)N1CCC(C1)CC(=O)O 269956a_100000719201_100016084084 [0,1,0,1,0,0|1,0,1]=4 1090 B13R1.1065 CC(=CCCN1CCC1C(=O)O)C 269956a_100000021838_100011217483 [0,1,0,1,0,0|1,0,0]=3 1091 B13R2.542 O=C(O)CC1CCN(C1)C2CC2 269956a_100000719201_100000211595 [0,0,0,2,0,0|1,0,1]=4 1092 B9R0.48 C=CCN(C)CC=C(C)C 2230a_100000225617_100000761012 [1,0,0,0,1,0|2,0,0]=4 1093 B9R0.48 C=CCN(C)CC=C(C)C 269982a_100000225617_100000761012 [1,0,0,0,1,0|2,0,0]=4 1094 B9R0.48 CC(=CCN(C)CCO)C 2230a_100000210263_100000761012 [1,0,0,0,1,0|1,0,1]=4 1095 B9R0.48 CC(=CCN(C)CCO)C 269982a_100000210263_100000761012 [1,0,0,0,1,0|1,0,1]=4 1096 B9R0.48 CC(C)CCN(C)CC=O 2230a_100000742789_200015260668 [1,0,0,0,1,0|1,0,1]=4 1097 B9R0.48 CC(C)CCN(C)CC=O 269982a_100000742789_200015260668 [1,0,0,0,1,0|1,0,1]=4 1098 B9R0.48 CN(C)CCN(C)CC=O 269982a_100000225618_200015260668 [1,0,0,0,1,0|2,0,0]=4 1099 B9R0.47 C/C=C/CN[C@@H](C)C(=O)O 269956a_100000743915_100102629194 [1,0,0,0,1,0|1,0,0]=3 1100 B9R0.47 C/C=C/CN[C@H](C)C(=O)N 34a_100000119354_100102629194 [1,0,0,0,1,0|2,0,0]=4 1101 B9R0.47 C/C=C/COC(C)C(=O)C 34a_100000212229_100102629194 [1,0,0,0,1,0|2,0,0]=4 1102 B9R0.47 C/C=C/COC(C)C(=O)N 34a_100016270725_100000702099 [1,0,0,0,1,0|2,0,0]=4 1103 B9R0.47 C/C=C/CO[C@@H](C)C(=O)[O-] 7a_217856618621_100102629194 [1,0,0,0,1,0|1,0,1]=4 1104 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 34a_100000731257_100102629194 [1,0,0,0,1,0|2,0,0]=4 1105 B9R0.47 C/C=C/CO[C@H](C)C(=O)N 7a_100000731257_100102629194 [1,0,0,0,1,0|2,0,0]=4 1106 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100009814033_100102629194 [1,0,0,0,1,0|2,0,0]=4 1107 B9R0.47 C/C=C/CSC(C)C(=O)C 62a_100102629194_100009814033 [1,0,0,0,1,0|2,0,0]=4 1108 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100000702099_100102629194 [1,0,0,0,1,0|2,0,0]=4 1109 B9R0.47 C/C=C/CSC(C)C(=O)N 62a_100102629194_100000702099 [1,0,0,0,1,0|2,0,0]=4 1110 B9R0.47 CC=CCN[C@H](C)C(=O)N 2230a_100000119354_100000070051 [1,0,0,0,1,0|2,0,0]=4 1111 B9R0.47 CC=CCN[C@H](C)C(=O)N 34a_100000119354_100000070051 [1,0,0,0,1,0|2,0,0]=4 1112 B9R0.47 CC=CCOC(C)C(=O)C 34a_100000212229_100000070051 [1,0,0,0,1,0|2,0,0]=4 1113 B9R0.47 CC=CCO[C@@H](C)C(=O)[O-] 7a_217856618621_100000070051 [1,0,0,0,1,0|1,0,1]=4 1114 B9R0.47 CC=CCO[C@H](C)C(=O)N 34a_100000731257_100000070051 [1,0,0,0,1,0|2,0,0]=4 1115 B9R0.47 CC=CCO[C@H](C)C(=O)N 7a_100000731257_100000070051 [1,0,0,0,1,0|2,0,0]=4 1116 B9R0.47 CC=CCSC(C)C(=O)C 62a_100000070051_100009814033 [1,0,0,0,1,0|2,0,0]=4 1117 B9R0.47 CC=CCSC(C)C(=O)C 62a_100009814033_100000070051 [1,0,0,0,1,0|2,0,0]=4 1118 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000070051_100000702099 [1,0,0,0,1,0|2,0,0]=4 1119 B9R0.47 CC=CCSC(C)C(=O)N 62a_100000702099_100000070051 [1,0,0,0,1,0|2,0,0]=4 1120 B9R0.55 C=C(C)CCNCC(=O)O 269956a_100016091260_100000730704 [1,0,0,0,1,0|1,0,1]=4 1121 B9R0.55 CC(=CCNCC(=O)N)C 2230a_100000711301_100000761012 [1,0,0,0,1,0|2,0,0]=4 1122 B9R0.55 CC(=CCNCC(=O)N)C 34a_100000718196_100000187820 [1,0,0,0,1,0|2,0,0]=4 1123 B9R0.55 CC(=CCNCC(=O)O)C 269956a_100016091260_100000761012 [1,0,0,0,1,0|1,0,0]=3 1124 B9R0.55 CC(=CCNCC(=O)[O-])C 34a_100000718196_100020667443 [1,0,0,0,1,0|1,0,1]=4 1125 B9R0.55 CC(=CCOCC(=O)N)C 34a_100000753907_100000187820 [1,0,0,0,1,0|2,0,0]=4 1126 B9R0.55 CC(=CCOCC(=O)[O-])C 34a_100000753907_100020667443 [1,0,0,0,1,0|1,0,1]=4 1127 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000747473_100000761012 [1,0,0,0,1,0|2,0,0]=4 1128 B9R0.55 CC(=CCSCC(=O)N)C 62a_100000761012_100000747473 [1,0,0,0,1,0|2,0,0]=4 1129 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100000761012_100020667443 [1,0,0,0,1,0|1,0,1]=4 1130 B9R0.55 CC(=CCSCC(=O)[O-])C 62a_100020667443_100000761012 [1,0,0,0,1,0|1,0,1]=4 1131 B9R0.55 CC(=O)CCCCC(=O)C 1458a_100000070787_100000735457 [1,0,0,0,1,0|2,0,0]=4 1132 B9R0.55 CC(=O)CCCCC(C)C 1458a_100000070787_100011216152 [1,0,0,0,1,0|1,0,1]=4 1133 B9R0.55 CC(=O)CCCCC(C)C 1458a_100011933920_200000210301 [1,0,0,0,1,0|1,0,1]=4 1134 B9R0.55 CC(=O)CCCCN(C)C 269982a_100102631434_100000735457 [1,0,0,0,1,0|2,0,0]=4 1135 B9R0.55 CC(=O)CCNCC(=O)O 269956a_100016091260_100000053229 [1,0,0,0,1,0|2,0,0]=4 1136 B9R0.55 CC(=O)COCC=C(C)C 34a_100000211253_100000761012 [1,0,0,0,1,0|2,0,0]=4 1137 B9R0.55 CC(C)CCCCC(=O)[13CH3] 1458a_100011933920_200025704644 [1,0,0,0,1,0|1,0,1]=4 1138 B9R0.55 CC(C)CCNCC(=O)O 269956a_100016091260_100000210312 [1,0,0,0,1,0|1,0,1]=4 1139 B9R0.55 CN(C)CCNCC(=O)O 269956a_100016091260_100000755713 [1,0,0,0,1,0|2,0,0]=4 1140 B9R0.7 C=C(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000748629 [0,0,0,0,2,0|1,0,1]=4 1141 B9R0.7 CC(=O)C(C)CCC(C)C 1458a_100000070787_100011261404 [0,0,0,0,2,0|1,0,1]=4 1142 B9R0.7 CC(C)CN[C@@H](C)C(=O)O 269956a_100000743915_100000210760 [0,0,0,0,2,0|1,0,1]=4 1143 B9R0.7 CC(C)NCC(C)C(=O)O 269956a_100000749485_100000210206 [0,0,0,0,2,0|1,0,1]=4 1144 B9R0.53 C=C(C)CN(C)CC(=O)O 269956a_100000746989_100000748629 [0,0,0,0,2,0|1,0,1]=4 1145 B9R0.53 CC(C)CN(C)CC(=O)O 269956a_100000746989_100000210760 [0,0,0,0,2,0|1,0,1]=4 1146 B11R0.176 C#CCC(C)OCCC=C(C)C 34a_100000685586_100011217483 [1,0,0,0,0,1|1,0,1]=4 1147 B11R0.176 C#CCC(C)OCCC=C(C)C 7a_100000685586_100011217483 [1,0,0,0,0,1|1,0,1]=4 1148 B11R0.176 C/C=C/C(C)OCCC=C(C)C 34a_200102604097_100011217483 [1,0,0,0,0,1|1,0,1]=4 1149 B11R0.176 C=CCC(C)COCC=C(C)C 34a_100009832082_100000761012 [1,0,0,0,0,1|1,0,0]=3 1150 B11R0.176 C=CCC(C)COCC=C(C)C 7a_100009832082_100000761012 [1,0,0,0,0,1|1,0,0]=3 1151 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 34a_100000731007_100011217483 [1,0,0,0,0,1|1,0,0]=3 1152 B11R0.176 C=CC[C@@H](C)OCCC=C(C)C 7a_100000731007_100011217483 [1,0,0,0,0,1|1,0,0]=3 1153 B11R0.176 C=CC[C@@H](N)COCC=C(C)C 34a_100020615467_100000761012 [1,0,0,0,0,1|2,0,0]=4 1154 B11R0.176 CC(=CCCN[C@@H](C)CC#N)C 2230a_100016994482_100011217483 [1,0,0,0,0,1|1,0,1]=4 1155 B11R0.176 CC(=CCCN[C@H](C)CCO)C 2230a_100000706166_100011217483 [1,0,0,0,0,1|0,0,1]=3 1156 B11R0.176 CC(=CCCN[C@H](C)CCO)C 34a_100000706166_100011217483 [1,0,0,0,0,1|0,0,1]=3 1157 B11R0.176 CC(=CCCOC(C)CCBr)C 34a_100012276601_100011217483 [1,0,0,0,0,1|1,0,1]=4 1158 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100009813641_100011217483 [1,0,0,0,0,1|1,0,1]=4 1159 B11R0.176 CC(=CCCSC(C)CC#N)C 62a_100011217483_100009813641 [1,0,0,0,0,1|1,0,1]=4 1160 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100009893172_100011217483 [1,0,0,0,0,1|0,0,1]=3 1161 B11R0.176 CC(=CCCSC(C)CCO)C 62a_100011217483_100009893172 [1,0,0,0,0,1|0,0,1]=3 1162 B11R0.176 CC(=CCOCC(C)CCN)C 34a_106354213184_100000761012 [1,0,0,0,0,1|1,0,1]=4 1163 B11R0.176 CCCC(C)CNCC=C(C)C 270004a_100000718196_100000243154 [1,0,0,0,0,1|1,0,1]=4 1164 B11R0.176 CCCC(C)CNCC=C(C)C 34a_100000718196_100011216630 [1,0,0,0,0,1|1,0,1]=4 1165 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000688023_100000761012 [1,0,0,0,0,1|1,0,1]=4 1166 B11R0.176 CCCC(C)COCC=C(C)C 34a_100000753907_100011216630 [1,0,0,0,0,1|1,0,1]=4 1167 B11R0.176 CCCC(C)COCC=C(C)C 7a_100000688023_100000761012 [1,0,0,0,0,1|1,0,1]=4 1168 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100000761012_100011216630 [1,0,0,0,0,1|1,0,1]=4 1169 B11R0.176 CCCC(C)CSCC=C(C)C 62a_100011216630_100000761012 [1,0,0,0,0,1|1,0,1]=4 1170 B11R0.176 CCCC(C)NCCC=C(C)C 2230a_100000741246_100011217483 [1,0,0,0,0,1|1,0,1]=4 1171 B11R0.176 CCCC(C)OCCC=C(C)C 34a_100000764384_100011217483 [1,0,0,0,0,1|1,0,1]=4 1172 B11R0.176 CCCC(C)OCCC=C(C)C 7a_100000764384_100011217483 [1,0,0,0,0,1|1,0,1]=4 1173 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100000766640_100011217483 [1,0,0,0,0,1|1,0,1]=4 1174 B11R0.176 CCCC(C)SCCC=C(C)C 62a_100011217483_100000766640 [1,0,0,0,0,1|1,0,1]=4 1175 B11R0.176 COCC(C)SCCC=C(C)C 62a_100000765312_100011217483 [1,0,0,0,0,1|2,0,0]=4 1176 B11R0.176 COCC(C)SCCC=C(C)C 62a_100011217483_100000765312 [1,0,0,0,0,1|2,0,0]=4 1177 B11R0.176 COC[C@@H](C)NCCC=C(C)C 2230a_100000764878_100011217483 [1,0,0,0,0,1|2,0,0]=4 1178 B11R0.176 COC[C@@H](C)OCCC=C(C)C 34a_100011934205_100011217483 [1,0,0,0,0,1|2,0,0]=4 1179 B11R0.46 CCCCCC(C)NCC(=O)O 269956a_100016091260_200011218191 [1,0,0,0,0,1|0,0,2]=4 1180 B11R0.30 C=C(Br)CCOCCC=C(C)C 34a_100009813270_100011217483 [1,0,0,0,0,1|2,0,0]=4 1181 B11R0.30 C=C(C)CCOCCC=C(C)C 34a_100000764851_100011217483 [1,0,0,0,0,1|2,0,0]=4 1182 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100000730704_100011217483 [1,0,0,0,0,1|2,0,0]=4 1183 B11R0.30 C=C(C)CCSCCC=C(C)C 62a_100011217483_100000730704 [1,0,0,0,0,1|2,0,0]=4 1184 B11R0.30 CC(=CCCNCCC(C)O)C 2230a_200000755665_100011217483 [1,0,0,0,0,1|1,0,1]=4 1185 B11R0.30 CC(=CCCNOCC(=O)O)C 269956a_100000106656_100011217483 [1,0,0,0,0,1|1,0,0]=3 1186 B11R0.30 CC(=CCCOCCC(=O)N)C 34a_100000757172_100011217483 [1,0,0,0,0,1|1,0,0]=3 1187 B11R0.30 CC(=CCCOCCC(=O)N)C 7a_100000757172_100011217483 [1,0,0,0,0,1|1,0,0]=3 1188 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100000744528_100011217483 [1,0,0,0,0,1|1,0,0]=3 1189 B11R0.30 CC(=CCCSCCC(=O)N)C 62a_100011217483_100000744528 [1,0,0,0,0,1|1,0,0]=3 1190 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100011217483_100012276601 [1,0,0,0,0,1|1,0,1]=4 1191 B11R0.30 CC(=CCCSCCC(C)O)C 62a_100012276601_100011217483 [1,0,0,0,0,1|1,0,1]=4 1192 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000718196_100102525003 [1,0,0,0,0,1|1,0,0]=3 1193 B11R0.30 CC(=CCNCCCC(=O)N)C 34a_100000739312_100000761012 [1,0,0,0,0,1|1,0,0]=3 1194 B11R0.30 CC(=CCNCCCC(C)O)C 34a_100000718196_200000718107 [1,0,0,0,0,1|1,0,1]=4 1195 B11R0.30 CC(=CCNCCCS(=O)C)C 2230a_200000753449_100000761012 [1,0,0,0,0,1|2,0,0]=4 1196 B11R0.30 CC(=CCNCCNC(=O)N)C 34a_100020590234_100000761012 [1,0,0,0,0,1|2,0,0]=4 1197 B11R0.30 CC(=CCNCCOC(=O)N)C 34a_100000718196_200011214921 [1,0,0,0,0,1|2,0,0]=4 1198 B11R0.30 CC(=CCOCCCC(=O)N)C 34a_100000753907_100102525003 [1,0,0,0,0,1|1,0,0]=3 1199 B11R0.30 CC(=CCOCCCC(C)O)C 34a_100000753907_200000718107 [1,0,0,0,0,1|1,0,1]=4 1200 B11R0.30 CC(=CCOCCC[N+](=O)[O-])C 34a_200000037920_100000761012 [1,0,0,0,0,1|1,0,1]=4 1201 B11R0.30 CC(=CCOCCNC(=O)N)C 34a_100000181757_100000761012 [1,0,0,0,0,1|2,0,0]=4 1202 B11R0.30 CC(=CCOCCOC(=O)N)C 34a_100000753907_200011214921 [1,0,0,0,0,1|2,0,0]=4 1203 B11R0.30 CC(=CCOCCOC(=O)N)C 7a_100000766696_100000761012 [1,0,0,0,0,1|2,0,0]=4 1204 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100000761012_100102525003 [1,0,0,0,0,1|1,0,0]=3 1205 B11R0.30 CC(=CCSCCCC(=O)N)C 62a_100102525003_100000761012 [1,0,0,0,0,1|1,0,0]=3 1206 B11R0.30 CC(=CCSCCCC(C)O)C 62a_100000761012_200000718107 [1,0,0,0,0,1|1,0,1]=4 1207 B11R0.30 CC(=CCSCCCC(C)O)C 62a_200000718107_100000761012 [1,0,0,0,0,1|1,0,1]=4 1208 B11R0.30 CC(=CCSCCNC(=O)N)C 62a_100000761012_200000034859 [1,0,0,0,0,1|2,0,0]=4 1209 B11R0.30 CC(=CCSCCNC(=O)N)C 62a_200000034859_100000761012 [1,0,0,0,0,1|2,0,0]=4 1210 B11R0.30 CC(=CCSCCOC(=O)N)C 62a_100000761012_200011214921 [1,0,0,0,0,1|2,0,0]=4 1211 B11R0.30 CC(=CCSCCOC(=O)N)C 62a_200011214921_100000761012 [1,0,0,0,0,1|2,0,0]=4 1212 B11R0.30 CC(=O)CCCC/C=C/C(C)C 1458a_200016995844_200000210301 [1,0,0,0,0,1|1,0,1]=4 1213 B11R0.30 CC(=O)CCCCNCC(=O)O 269956a_100016091260_100000735457 [1,0,0,0,0,1|1,0,1]=4 1214 B11R0.30 CC(=O)CCCNCC=C(C)C 34a_100000718196_100000685027 [1,0,0,0,0,1|1,0,0]=3 1215 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000753907_100000685027 [1,0,0,0,0,1|1,0,0]=3 1216 B11R0.30 CC(=O)CCCOCC=C(C)C 34a_100000759063_100000761012 [1,0,0,0,0,1|1,0,0]=3 1217 B11R0.30 CC(=O)CCCOCC=C(C)C 7a_100000759063_100000761012 [1,0,0,0,0,1|1,0,0]=3 1218 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100000761012_100011215641 [1,0,0,0,0,1|1,0,0]=3 1219 B11R0.30 CC(=O)CCCSCC=C(C)C 62a_100011215641_100000761012 [1,0,0,0,0,1|1,0,0]=3 1220 B11R0.30 CC(=O)CCOCCC=C(C)C 34a_100000759926_100011217483 [1,0,0,0,0,1|1,0,0]=3 1221 B11R0.30 CC(=O)CCOCCC=C(C)C 7a_100000759926_100011217483 [1,0,0,0,0,1|1,0,0]=3 1222 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100000053229_100011217483 [1,0,0,0,0,1|1,0,0]=3 1223 B11R0.30 CC(=O)CCSCCC=C(C)C 62a_100011217483_100000053229 [1,0,0,0,0,1|1,0,0]=3 1224 B11R0.30 CC(=O)NCCNCC=C(C)C 2230a_100000209853_100000761012 [1,0,0,0,0,1|2,0,0]=4 1225 B11R0.30 CC(=O)NCCOCC=C(C)C 34a_100000158858_100000761012 [1,0,0,0,0,1|2,0,0]=4 1226 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000189650_100000761012 [1,0,0,0,0,1|2,0,0]=4 1227 B11R0.30 CC(=O)NCCSCC=C(C)C 62a_100000761012_100000189650 [1,0,0,0,0,1|2,0,0]=4 1228 B11R0.30 CC(=O)OCCCNCC(=O)O 269956a_100016091260_100000042594 [1,0,0,0,0,1|2,0,0]=4 1229 B11R0.30 CC(=O)OCCNCC=C(C)C 34a_100000718196_100009814007 [1,0,0,0,0,1|2,0,0]=4 1230 B11R0.30 CC(=O)OCCOCC=C(C)C 34a_100000753907_100009814007 [1,0,0,0,0,1|2,0,0]=4 1231 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100000761012_100009814007 [1,0,0,0,0,1|2,0,0]=4 1232 B11R0.30 CC(=O)OCCSCC=C(C)C 62a_100009814007_100000761012 [1,0,0,0,0,1|2,0,0]=4 1233 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100000076356_100011217483 [1,0,0,0,0,1|2,0,0]=4 1234 B11R0.30 CC(=O)OCSCCC=C(C)C 62a_100011217483_100000076356 [1,0,0,0,0,1|2,0,0]=4 1235 B11R0.30 CC(=O)SCCCNCC(=O)O 269956a_100016091260_100000038929 [1,0,0,0,0,1|2,0,0]=4 1236 B11R0.30 CC(=S)OCCCNCC(=O)O 269956a_100016091260_200135323944 [1,0,0,0,0,1|2,0,0]=4 1237 B11R0.30 CC(C)/C=C/CCCCC(=O)[13CH3] 1458a_200016995844_200025704644 [1,0,0,0,0,1|1,0,1]=4 1238 B11R0.30 CC(C)CCCCNCC(=O)O 269956a_100016091260_100011216152 [1,0,0,0,0,1|0,0,2]=4 1239 B11R0.30 CN(C)CCCCNCC(=O)O 269956a_100016091260_100000690147 [1,0,0,0,0,1|1,0,1]=4 1240 B13R0.182 CC(=CCNCC(=O)NCC(=O)O)C 269956a_100000183575_100000761012 [0,0,0,0,0,2|1,0,1]=4 1241 B13R0.182 CC(=O)OCC(O)CNCC=C(C)C 34a_100000718196_200000139349 [0,0,0,0,0,2|2,0,0]=4 1242 B13R0.182 CC(=O)OCC(O)COCC=C(C)C 34a_100000753907_200000139349 [0,0,0,0,0,2|2,0,0]=4 1243 B13R0.182 CC(=O)OCC(O)CSCC=C(C)C 62a_100000761012_200000139349 [0,0,0,0,0,2|2,0,0]=4 1244 B13R0.182 CC(=O)OCC(O)CSCC=C(C)C 62a_200000139349_100000761012 [0,0,0,0,0,2|2,0,0]=4 1245 B13R0.182 CC(=O)SCC(C)CNCC=C(C)C 34a_100000718196_200000116872 [0,0,0,0,0,2|1,0,0]=3 1246 B13R0.182 CC(=O)SCC(C)COCC=C(C)C 34a_100000753907_200000116872 [0,0,0,0,0,2|1,0,0]=3 1247 B13R0.182 CC(=O)SCC(C)CSCC=C(C)C 62a_100000761012_200000116872 [0,0,0,0,0,2|1,0,0]=3 1248 B13R0.182 CC(=O)SCC(C)CSCC=C(C)C 62a_200000116872_100000761012 [0,0,0,0,0,2|1,0,0]=3 1249 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 34a_100102619829_100000730704 [0,0,0,0,0,2|2,0,0]=4 1250 B13R0.1398 C=C(C)CCOC(C)CCC=C(C)C 7a_100102619829_100000730704 [0,0,0,0,0,2|2,0,0]=4 1251 B13R0.1398 CC(=CCCC(C)CNCC(C)O)C 270004a_100000210904_100000033009 [0,0,0,0,0,2|1,0,1]=4 1252 B13R0.1398 CC(=CCCC(C)NCC=C(C)C)C 270004a_100000718196_100000765506 [0,0,0,0,0,2|2,0,0]=4 1253 B13R0.1398 CC(=CCCC(C)NCCC(C)O)C 270004a_200000755665_100000765506 [0,0,0,0,0,2|1,0,1]=4 1254 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 34a_100102619829_100000761012 [0,0,0,0,0,2|2,0,0]=4 1255 B13R0.1398 CC(=CCCC(C)OCC=C(C)C)C 7a_100102619829_100000761012 [0,0,0,0,0,2|2,0,0]=4 1256 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 34a_100102619829_100000731001 [0,0,0,0,0,2|1,0,0]=3 1257 B13R0.1398 CC(=CCCC(C)OCCC(=O)N)C 7a_100102619829_100000744528 [0,0,0,0,0,2|1,0,0]=3 1258 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 34a_100102619829_100012276601 [0,0,0,0,0,2|1,0,1]=4 1259 B13R0.1398 CC(=CCCC(C)OCCC(C)O)C 7a_100102619829_100012276601 [0,0,0,0,0,2|1,0,1]=4 1260 B13R0.1398 CC(=CCCN(C)CCCC(=O)O)C 269956a_100000719178_100011217483 [0,0,0,0,0,2|1,0,0]=3 1261 B13R0.1398 CC(=CCOC(C)CCCC(=O)[O-])C 7a_100000761597_100000761012 [0,0,0,0,0,2|1,0,1]=4 1262 B13R0.1398 CC(=O)CCOC(C)CCC=C(C)C 7a_100102619829_100000053229 [0,0,0,0,0,2|1,0,0]=3 1263 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 11a_200020676162_100015343762 [0,0,0,0,0,2|1,0,1]=4 1264 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 1626a_200020676162_100015343762 [0,0,0,0,0,2|1,0,1]=4 1265 B13R0.1398 CC(=O)NC/C=C(\C)/CCC=C(C)C 527a_200020676162_100103153847 [0,0,0,0,0,2|1,0,1]=4 1266 B13R0.1398 CC(=O)NN=CC(C)CCC=C(C)C 4a_100000189765_100000033009 [0,0,0,0,0,2|1,0,1]=4 1267 B13R0.1398 CC(=O)OCOC(C)CCC=C(C)C 34a_100102619829_100009813279 [0,0,0,0,0,2|1,0,0]=3 1268 B13R0.178 CC(=CCCNCC(O)CC(=O)O)C 269956a_100011218706_100011217483 [0,0,0,0,0,2|1,0,0]=3