0 B13R1.337 OB(O)CCCCC1=CC=CC=C1 D74828 [0,0,0,0,0,0|3,0,1]=4 1 B14R1.6449 O=C(O)[C@@H](O)COCC1=CC=CC=C1 78619 [0,1,0,0,0,0|3,0,0]=4 2 B14R2.19 NC1CCC(CC2=CC=CC=C2)C1 33454 [0,0,0,1,0,0|2,0,1]=4 3 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72643 [0,0,0,1,0,0|1,0,0]=2 4 B14R2.21 O=C1CCC[C@H](C2=CC=NC=C2)C1 79704 [0,0,0,1,0,0|2,0,0]=3 5 B14R2.21 O=C1CCC[C@H](C2=CN=CC=C2)C1 79669 [0,0,0,1,0,0|2,0,0]=3 6 B14R2.21 O[C@H]1CCC[C@@H](C2=CC=CC=C2)C1 D75512 [0,0,0,1,0,0|1,0,2]=4 7 B14R2.333 O=S1(=O)NCC[C@H]1C2=CC=CC=C2 AT15722 [0,0,0,1,0,0|3,0,0]=4 8 B14R2.790 O=C(O)C[C@H]1C[C@@H]1C2=CC=CC=C2 E73141 [0,0,0,1,0,0|2,0,0]=3 9 B14R2.31359 CC(=O)N1CCOC2=C1C=CC=C2 AT25868 [0,0,0,1,0,0|2,0,0]=3 10 B14R2.31359 O=C(O)C1=CCCC2=C1C=CC=C2 AT23527 [0,0,0,1,0,0|2,0,1]=4 11 B12R1.252 C[C@H](N)COCC1=CC=CC=C1 75113 [0,0,0,0,1,0|2,0,1]=4 12 B12R1.252 C[C@H](O)CCCC1=CC=NC=C1 AT26625 [0,0,0,0,1,0|1,0,2]=4 13 B14R1.422 O=C(O)CCC\C=C\C1=CC=CC=C1 92619 [0,0,0,0,0,1|2,0,1]=4 14 B11R1.28 NOCCNC1=CC=CC=C1 AT21708 [2,0,0,0,0,0|2,0,0]=4 15 B11R1.28 O=CCCCC1=CC=NC=C1 P16930 [2,0,0,0,0,0|1,0,0]=3 16 B13R1.28 C=CCCCCOC1=CC=CC=C1 P16991 [1,1,0,0,0,0|1,0,1]=4 17 B13R1.351 C[C@H](SCC1=CC=CC=C1)C(=O)O D85994 [0,1,0,0,1,0|2,0,0]=4 18 B13R1.513 O=C(O)CSCC1=CC=C(Br)C=C1 D85996 [0,1,0,0,1,0|2,0,0]=4 19 B15R1.9084 CC(=O)C[C@H](C)COCC1=CC=CC=C1 AC3362 [0,1,0,0,0,1|1,0,0]=3 20 B15R1.4008 CC(=O)OC[C@H](CO)CC1=CC=CC=C1 C11383 [0,2,0,0,0,0|0,0,0]=2 21 B15R1.1321 COC(=O)[C@@H](O)COCC1=CC=CC=C1 27872 [0,2,0,0,0,0|2,0,0]=4 22 B13R2.15 O=C1COC[C@@H]1C2=CC=CC=C2 E73015 [1,0,0,1,0,0|2,0,0]=4 23 B13R2.5252 O=C1CCCCC2=CC=CN=C12 AT25946 [1,0,0,1,0,0|2,0,0]=4 24 B13R2.10 O=C1CC[C@@H](C2=CC=NC=C2)N1 AT26736 [0,0,0,1,1,0|2,0,0]=4 25 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94454 [0,0,0,1,1,0|0,0,0]=2 26 B13R2.31 NC1CC(CC2=CC=CC=C2)C1 67221 [0,0,0,1,1,0|1,0,1]=4 27 B13R2.31 O=C1C[C@H](SC2=CC=CC=C2)N1 P12916 [0,0,0,1,1,0|2,0,0]=4 28 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 AT19703 [0,0,0,1,1,0|2,0,0]=4 29 B13R2.72 O=C(O)[C@@H]1COC2=C1C=CC=C2 AT19704 [0,0,0,1,1,0|2,0,0]=4 30 B13R2.423 CC(=O)C1CC1C2=CC=CC=C2 AT10245 [0,0,0,1,1,0|0,0,0]=2 31 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=NC=C2 F52504 [0,0,0,1,1,0|2,0,0]=4 32 B15R2.63 O=C(O)C1NCCC1C2=CC=CC=C2 N14347 [0,0,0,1,0,1|2,0,0]=4 33 B15R2.63 O=C(O)[C@H]1CCN[C@@H]1C2=CC=CC=C2 D72355 [0,0,0,1,0,1|2,0,0]=4 34 B15R2.63 O=C(O)[C@H]1CCN[C@@H]1C2=CC=CC=C2 D72356 [0,0,0,1,0,1|2,0,0]=4 35 B15R2.30 O=C1CCO[C@H](C2=CC=CC(Br)=C2)C1 C91904 [0,1,0,1,0,0|2,0,0]=4 36 B15R2.30 O=C1C[C@@H](C2=CC=CC(F)=C2)CCN1 AC9816 [0,1,0,1,0,0|1,0,0]=3 37 B15R2.384 O=C(O)[C@@H]1CCCC2=C1C=CC(Br)=C2 AT24819 [0,1,0,1,0,0|2,0,0]=4 38 B15R2.1668 O=C(O)C[C@H]1CCC2=C(C=CC=C2)N1 97922 [0,1,0,1,0,0|2,0,0]=4 39 B15R2.59 O=C(O)[C@@H]1CC[C@@H](C2=CC=CC=C2)N1 D72124 [0,1,0,1,0,0|2,0,0]=4 40 B15R2.59 O=C(O)[C@H]1CC[C@H](C2=CC=CC=C2)C1 E73044 [0,1,0,1,0,0|2,0,0]=4 41 B15R2.29 O=C1CCC(CC2=CC=CC=C2)CC1 AC8802 [0,1,0,1,0,0|1,0,0]=3 42 B15R2.28 O=C1C[C@@H](C2=CC=C(F)C=C2)CCN1 AC9517 [0,1,0,1,0,0|1,0,0]=3 43 B15R2.7268 O=C(O)[C@@H]1CCCC2=C1C=C(Br)C=C2 AT24821 [0,1,0,1,0,0|2,0,0]=4 44 B15R2.342 O=C1CC[C@@H]1COCC2=CC=CC=C2 P14254 [0,1,0,1,0,0|2,0,0]=4 45 B15R2.79765 COC(=O)[C@@H]1CCCC2=CC=CN=C21 AC6313 [0,1,0,1,0,0|2,0,0]=4 46 B15R2.16118 N[C@@]1(C(=O)O)CC[C@@H]1C2=CC=CC=C2 D74820 [0,1,0,1,0,0|2,0,0]=4 47 B15R3.2013 O=C1C[C@@H]2CCN1C3=C2C=CC=C3 F52212 [0,0,0,2,0,0|1,0,0]=3 48 B15R1.504 O=C(O)COCCOCC1=CC=CC=C1 C70227 [0,0,0,0,0,2|1,0,0]=3