0 B12R1.256 CC(=O)C1=CC=C([C@H](C)N)C=C1 20151 [0,0,0,0,0,0|1,0,0]=1 1 B12R1.256 CC(C)C1=CC=C([C@H](C)N)C=C1 D96379 [0,0,0,0,0,0|1,0,1]=2 2 B12R1.256 C[C@H](N)C1=CC=C(C(F)F)C=C1 Y14273 [0,0,0,0,0,0|3,0,1]=4 3 B12R1.256 C[C@H](N)C1=CC=C(N(C)C)C=C1 Y13683 [0,0,0,0,0,0|2,0,1]=3 4 B12R1.256 O=C(O)C1=NC=C(C(F)F)C=C1 55086 [0,0,0,0,0,0|4,0,0]=4 5 B11R1.3 CC(=O)C1=CC=C(CN)C=C1 C76094 [1,0,0,0,0,0|1,0,0]=2 6 B11R1.3 CCC1=CN=C(C(=O)O)C=N1 D79974 [1,0,0,0,0,0|3,0,0]=4 7 B11R1.3 CN(C)C1=CC=C(NN)C=C1 C74403 [1,0,0,0,0,0|3,0,0]=4 8 B11R1.3 COC1=NC=C([C@H](C)N)C=C1 90832 [1,0,0,0,0,0|3,0,0]=4 9 B11R1.3 C[C@H](N)C1=CC=C(C#N)C=C1 I11173 [1,0,0,0,0,0|2,0,1]=4 10 B13R1.120 CC(=O)C1=C(O)C=C(C(=O)O)C=C1 D72155 [0,1,0,0,0,0|2,0,1]=4 11 B13R1.120 CC(=O)C1=CC(N)=C([N+](=O)[O-])C=C1 D83872 [0,1,0,0,0,0|3,0,0]=4 12 B13R1.120 C[C@H](N)C1=CC(F)=C(C(=O)O)C=C1 Y10798 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.338 CN(C)C1=CC=C(S(N)(=O)=O)C=C1 79575 [0,1,0,0,0,0|3,0,0]=4 14 B13R1.338 C[C@H](N)C1=CC=C(C(C)(C)C)C=C1 D96366 [0,1,0,0,0,0|1,0,1]=3 15 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 67487 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.338 C[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 Y14812 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.537 COC(=O)C1=CN=C([C@H](C)N)C=C1 Y14865 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y13818 [0,1,0,0,0,0|2,0,0]=3 19 B13R1.537 N[C@@H](CO)C1=CC=C(C(=O)O)C=C1 Y13819 [0,1,0,0,0,0|2,0,0]=3 20 B13R1.585 CC(C)CC1=CC=C([C@H](C)N)C=C1 D85217 [0,0,0,0,0,1|1,0,1]=3 21 B13R1.585 CC(C)OC1=CC=C([C@H](C)N)C=C1 D96432 [0,0,0,0,0,1|1,0,1]=3 22 B10R1.13 CC(C)C1=NC=C(N)C=C1 Y14829 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.13 CC1=NC=C([C@H](C)N)C=C1 D96455 [2,0,0,0,0,0|2,0,0]=4 24 B12R1.5 CCC(=O)C1=CN=C(OC)C=C1 W11395 [1,1,0,0,0,0|2,0,0]=4 25 B12R1.5 CNC(=O)C1=CC=C(C=O)C=C1 D79835 [1,1,0,0,0,0|1,0,1]=4 26 B12R1.5 COC(=O)C1=NC=C(CBr)C=C1 C75626 [1,1,0,0,0,0|2,0,0]=4 27 B12R1.6 CC(C)(O)C1=CC=C(CN)C=C1 D86357 [1,1,0,0,0,0|1,0,1]=4 28 B12R1.48 COC1=C(Cl)C=C([C@H](C)N)C=C1 Y14818 [1,1,0,0,0,0|2,0,0]=4 29 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13735 [1,1,0,0,0,0|2,0,0]=4 30 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y13736 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.48 COC1=C(O)C=C([C@H](C)N)C=C1 Y14318 [1,1,0,0,0,0|2,0,0]=4 32 B12R1.113 CCCC1=NC=C(C(=O)O)C=C1 AC9553 [1,1,0,0,0,0|2,0,0]=4 33 B12R1.452 COC1=CC(Cl)=C([C@H](C)N)C=C1 Y12288 [1,1,0,0,0,0|2,0,0]=4 34 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13671 [1,1,0,0,0,0|2,0,0]=4 35 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13674 [1,1,0,0,0,0|2,0,0]=4 36 B12R1.452 COC1=CC(O)=C([C@H](C)N)C=C1 Y13965 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.452 O=C(O)C1=C(F)C=C(CO)C=C1 Y13791 [1,1,0,0,0,0|2,0,0]=4 38 B14R1.717 CC(C)CC1=CC=C([C@@H](C)CO)C=C1 F19318 [0,1,0,0,0,1|0,0,2]=4 39 B14R1.43 COC1=C(C(=O)O)C=CC([C@H](C)N)=C1 C74130 [0,2,0,0,0,0|2,0,0]=4 40 B14R1.4227 CC(C)(C)C1=CC(Br)=C(C(=O)O)C=C1 36476 [0,2,0,0,0,0|1,0,0]=3 41 B14R1.4227 CC(C)(C)C1=CC(O)=C(C(=O)O)C=N1 81043 [0,2,0,0,0,0|2,0,0]=4 42 B14R1.719 CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 Y11977 [0,2,0,0,0,0|2,0,0]=4 43 B14R1.719 CC[C@H](N)C1=CC=C(S(C)(=O)=O)C=C1 Y11978 [0,2,0,0,0,0|2,0,0]=4 44 B14R1.719 COC(=O)C1=CC=C(C(C)(C)O)C=C1 Y14706 [0,2,0,0,0,0|0,0,0]=2 45 B14R1.719 COC(=O)C1=NC=C(C(C)(C)C)C=C1 D85975 [0,2,0,0,0,0|1,0,0]=3 46 B14R1.719 CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1 Y12075 [0,2,0,0,0,0|2,0,0]=4 47 B14R1.719 CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1 Y12076 [0,2,0,0,0,0|2,0,0]=4 48 B14R1.719 CS(=O)(=O)C1=CC=C([C@@H](N)CO)C=C1 Y12946 [0,2,0,0,0,0|2,0,0]=4 49 B14R1.3332 CC(C)(O)C1=CC=C(C(C)(C)O)C=C1 Y14692 [0,2,0,0,0,0|0,0,2]=4 50 B14R2.5719 N[C@H]1CCC2=C1C=CC(C(=O)O)=C2 Y14787 [0,1,0,1,0,0|2,0,0]=4 51 B14R2.9475 O=C(O)C1=CC=C(C2COC2)C=C1 85371 [0,1,0,1,0,0|1,0,0]=3 52 B10R1.31 CC(C)C1=COC(C=O)=C1 C11550 [1,0,0,0,1,0|1,0,0]=3 53 B10R1.31 CCC1=CNC(C(=O)O)=C1 E70419 [1,0,0,0,1,0|2,0,0]=4 54 B12R1.4 COC1=CC=C(C[C@H](C)N)C=C1 F13086 [1,0,0,0,0,1|2,0,0]=4 55 B12R1.258 CC(=O)C1=CC([C@H](C)N)=CC=C1 Y13934 [0,0,0,0,1,1|1,0,0]=3