0 B12R1.107 N[C@@H](CC(=O)O)C1=CC=NC=C1 D85212 [0,0,0,0,0,0|4,0,0]=4 1 B12R1.107 N[C@@H](CC(=O)O)C1=NC=CC=C1 D85249 [0,0,0,0,0,0|4,0,0]=4 2 B13R1.132 N[C@@H](CC(=O)O)C1=CC=C(O)C=C1 Y13617 [0,1,0,0,0,0|3,0,0]=4 3 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13612 [0,1,0,0,0,0|3,0,0]=4 4 B13R1.201 N[C@@H](CC(=O)O)C1=C(O)C=CC=C1 Y13656 [0,1,0,0,0,0|3,0,0]=4 5 B13R1.713 NC[C@H](CC(=O)O)C1=CC=CC=C1 C75482 [0,1,0,0,0,0|2,0,0]=3 6 B13R2.10 O=C1C[C@H](C2=CC=CC=C2)CN1 65712 [0,0,0,1,0,0|2,0,0]=3 7 B13R2.328 CC1CC(C)C2=C(C=CC=C2)N1 C73677 [0,0,0,1,0,0|2,0,1]=4 8 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CC=CC=C2 F52068 [0,0,0,1,0,0|2,0,0]=3 9 B13R2.423 O=C(O)[C@@H]1C[C@@H]1C2=CN=CC=C2 P20201 [0,0,0,1,0,0|3,0,0]=4 10 B13R2.423 O=C(O)[C@H]1C[C@@H]1C2=CN=CC=C2 C91236 [0,0,0,1,0,0|3,0,0]=4 11 B11R1.36 C[C@@H](O)[C@H](N)C1=CC=CC=C1 Y10854 [0,0,0,0,1,0|1,0,2]=4 12 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 N15521 [0,0,0,0,1,0|1,0,2]=4 13 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y10855 [0,0,0,0,1,0|1,0,2]=4 14 B11R1.36 C[C@H](O)[C@H](N)C1=CC=CC=C1 Y11162 [0,0,0,0,1,0|1,0,2]=4 15 B11R1.36 O=C(O)[C@H](O)C1=CC=CC=C1 D78838 [0,0,0,0,1,0|2,0,0]=3 16 B13R1.348 C[C@@H](CC(=O)O)OC1=CC=CC=C1 W19103 [0,0,0,0,0,1|2,0,0]=3 17 B10R1.15 C=C[C@H](N)C1=CC=CC=C1 Y10835 [2,0,0,0,0,0|1,0,1]=4 18 B12R1.20 NC1=CC=C([C@@H](N)C(=O)O)C=C1 C76186 [0,1,0,0,1,0|2,0,0]=4 19 B12R1.124 N[C@@H](C(=O)O)C1=C(O)C=CC=C1 Y11226 [0,1,0,0,1,0|2,0,0]=4 20 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 Y11075 [0,1,0,0,1,0|1,0,0]=3 21 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y11001 [0,1,0,0,1,0|2,0,0]=4 22 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91447 [0,1,0,0,1,0|1,0,0]=3 23 B12R1.478 O=C(O)[C@H](CO)C1=CC=CC=C1 C91448 [0,1,0,0,1,0|1,0,0]=3 24 B14R1.11 COC(=O)C[C@H](N)C1=CC=CC(Cl)=C1 Y14032 [0,2,0,0,0,0|2,0,0]=4 25 B14R1.29 CCOC(=O)C[C@H](N)C1=CC=CC=C1 Y13668 [0,2,0,0,0,0|2,0,0]=4 26 B14R1.29 C[C@H](NC(=O)CC#N)C1=CC=CC=C1 Y14740 [0,2,0,0,0,0|1,0,0]=3 27 B14R1.587 COC(=O)C[C@H](N)C1=C(Br)C=CC=C1 Y13732 [0,2,0,0,0,0|2,0,0]=4 28 B14R1.587 COC(=O)C[C@H](N)C1=C(Br)C=CC=C1 Y13733 [0,2,0,0,0,0|2,0,0]=4 29 B12R2.2 C1=CC=C([C@@H]2CCCO2)C=C1 38197 [1,0,0,1,0,0|0,0,1]=3 30 B12R2.1081 C[C@@H]1NCCC2=C1C=CC=C2 W19334 [1,0,0,1,0,0|1,0,1]=4 31 B12R2.2028 C[C@@H]1NC(=O)C2=C1C=CC=C2 D72990 [1,0,0,1,0,0|1,0,0]=3 32 B12R2.24 O=C1CC2=C(CN1)N=CC=C2 87247 [1,0,0,1,0,0|2,0,0]=4 33 B14R2.21 O=C1CCC[C@H](C2=CC=CC=C2)C1 T72344 [0,1,0,1,0,0|1,0,0]=3 34 B14R2.20 O=C1C[C@H](C2=CC=C(Cl)C=C2)CN1 65722 [0,1,0,1,0,0|2,0,0]=4 35 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Br)C=C2 W19711 [0,1,0,1,0,0|2,0,0]=4 36 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 58111 [0,1,0,1,0,0|2,0,0]=4 37 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(Cl)C=C2 AC8131 [0,1,0,1,0,0|2,0,0]=4 38 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 58129 [0,1,0,1,0,0|2,0,0]=4 39 B14R2.4402 O=C(O)[C@H]1C[C@@H]1C2=CC=C(F)C=C2 AC9772 [0,1,0,1,0,0|2,0,0]=4 40 B14R2.780 O=C(O)C1CCC1C2=CC=CC=C2 P19515 [0,1,0,1,0,0|2,0,0]=4 41 B14R2.780 O=C(O)[C@@H]1CC[C@@H]1C2=CC=CC=C2 P20289 [0,1,0,1,0,0|2,0,0]=4 42 B14R2.780 O=C(O)[C@H]1CC[C@@H]1C2=CC=CC=C2 P20290 [0,1,0,1,0,0|2,0,0]=4 43 B10R1.23 C[C@@H](C(=O)O)C1=COC=C1 AC9306 [0,0,0,0,2,0|2,0,0]=4 44 B14R1.420 C\C(=N/OCC(=O)O)C1=CC=CC=C1 78385 [0,0,0,0,0,2|1,0,1]=4