0 B8R0.28 CC(=NOCC(=O)O)C AB13789 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.35 CC(=O)N1CCC(C1)N PB28324 [0,0,0,1,0,0|3,0,0]=4 2 B9R1.35 CC(=O)N1CC[C@H](C1)O PB14774 [0,0,0,1,0,0|2,0,0]=3 3 B9R1.35 CC(C)N1CCC(C1)N AB63018 [0,0,0,1,0,0|2,0,1]=4 4 B9R1.35 CC(C)N1CC[C@@H](C1)N AB63638 [0,0,0,1,0,0|2,0,1]=4 5 B9R1.35 CC(C)N1CC[C@H](C1)N MB07279 [0,0,0,1,0,0|2,0,1]=4 6 B9R1.49 CN1CCCC(CC1)N PB18198 [0,0,0,1,0,0|2,0,1]=4 7 B9R1.49 CN1CCCC(CC1)O PB20925 [0,0,0,1,0,0|1,0,1]=3 8 B9R1.53 CC(=O)NC1CC(C1)N PB34690 [0,0,0,1,0,0|3,0,0]=4 9 B6R0.4 CN(C)CCCBr AB52731 [2,0,0,0,0,0|2,0,0]=4 10 B8R1.1 C1C(CNC1=O)CO PB26709 [1,0,0,1,0,0|2,0,0]=4 11 B8R1.1 CN1CC[C@@H](C1)CO PB34858 [1,0,0,1,0,0|1,0,1]=4 12 B8R1.1 CN1CC[C@H](C1)CO PB31861 [1,0,0,1,0,0|1,0,1]=4 13 B8R1.4 C1CNC(=O)C[C@@H]1O AB29511 [1,0,0,1,0,0|2,0,0]=4 14 B8R1.4 CC1CC(CCN1)O PB10241 [1,0,0,1,0,0|1,0,1]=4 15 B8R1.4 CC1CC(CCO1)O PB22789 [1,0,0,1,0,0|1,0,1]=4 16 B8R1.4 CN1CCCC(C1)O PB17042 [1,0,0,1,0,0|1,0,1]=4 17 B8R1.4 CN1CCC[C@@H](C1)O PB31843 [1,0,0,1,0,0|1,0,1]=4 18 B8R1.4 CN1CCC[C@H](C1)O PB31692 [1,0,0,1,0,0|1,0,1]=4 19 B8R1.4 C[C@@H]1C[C@@H](CCN1)O PB38196 [1,0,0,1,0,0|1,0,1]=4 20 B8R1.4 C[C@H]1C[C@H](CCN1)O PB35360 [1,0,0,1,0,0|1,0,1]=4 21 B8R1.6 CN1CC(C1)CCO PB13968 [1,0,0,1,0,0|1,0,1]=4 22 B8R1.7 C1C=CCC1C(=O)O PB14124 [1,0,0,1,0,0|1,0,1]=4 23 B8R1.22 C1CC(CCNC1)O PB18652 [1,0,0,1,0,0|1,0,1]=4 24 B8R1.72 CC1(CCCCN1)C AB58454 [1,0,0,1,0,0|1,0,1]=4 25 B8R1.72 CC1(CCCNC1)O PB32801 [1,0,0,1,0,0|1,0,1]=4 26 B8R1.72 CC1(CCNCC1)O PB10877 [1,0,0,1,0,0|1,0,1]=4 27 B8R1.72 CC1(CCNCC1)O PB32903 [1,0,0,1,0,0|1,0,1]=4 28 B8R1.3 C1CC(=O)CCC1N AB26267 [0,0,0,1,1,0|2,0,0]=4 29 B8R1.3 C1[C@@H](CC[C@@H](C1)O)N AB30937 [0,0,0,1,1,0|1,0,1]=4 30 B8R1.3 C1[C@@H](CC[C@@H](C1)O)O PB27420 [0,0,0,1,1,0|1,0,1]=4 31 B8R1.3 C1[C@@H](CC[C@H](C1)O)N AB02731 [0,0,0,1,1,0|1,0,1]=4 32 B8R1.3 C1[C@@H](CC[C@H](C1)O)O AB02551 [0,0,0,1,1,0|1,0,1]=4 33 B8R1.3 CC1CNC(=O)CO1 AB71787 [0,0,0,1,1,0|2,0,0]=4 34 B8R1.3 CC1CNC(CO1)C AB55657 [0,0,0,1,1,0|1,0,1]=4 35 B8R1.3 CN1CCC(CC1)Cl AB01976 [0,0,0,1,1,0|2,0,0]=4 36 B8R1.3 CN1CCC(CC1)N PB32253 [0,0,0,1,1,0|2,0,0]=4 37 B8R1.3 CN1CCC(CC1)O PB18398 [0,0,0,1,1,0|1,0,0]=3 38 B8R1.23 C1C(CC1O)C(=O)O PB26416 [0,0,0,1,1,0|2,0,0]=4 39 B8R1.23 C1[C@@H](C[C@@H]1C(=O)O)O PB34748 [0,0,0,1,1,0|2,0,0]=4 40 B8R1.23 CC(=O)N1CC(C1)O PB10405 [0,0,0,1,1,0|2,0,0]=4 41 B8R1.23 CC(C)N1CC(C1)O PB29030 [0,0,0,1,1,0|1,0,1]=4 42 B8R1.51 CC1(CCC(C1)N)O PB38754 [0,0,0,1,1,0|1,0,1]=4 43 B10R1.113 CC(C)N1CCCC(C1)O AB70366 [0,0,0,1,0,1|0,0,2]=4 44 B10R1.13 CC(=O)N1CCC(CC1)O PB11970 [0,1,0,1,0,0|2,0,0]=4 45 B6R0.2 B(C=C(C)C)(O)O AB08065 [0,0,0,0,2,0|2,0,0]=4