0 B14R2.22 CC1=CC=CC([C@@H]2CNC(=O)C2)=C1 58201 [0,0,0,0,0,0|4,0,0]=4 1 B14R2.22 CC1=CC=CC([C@H]2CCC(=O)C2)=C1 53462 [0,0,0,0,0,0|4,0,0]=4 2 B14R2.22 NC1=CC(C2=CC=CC(Br)=C2)=NO1 30623 [0,0,0,0,0,0|2,1,1]=4 3 B14R2.22 NC1=CC(C2=CC=CC(Cl)=C2)=CS1 88679 [0,0,0,0,0,0|1,1,2]=4 4 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 32446 [0,0,0,0,0,0|2,1,1]=4 5 B14R2.22 NC1=CC=CC([C@@H]2CNC(=O)C2)=C1 SC1181 [0,0,0,0,0,0|4,0,0]=4 6 B14R2.22 NC1=NN=C(C2=CC=CC(Cl)=C2)S1 90882 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.22 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 SC1221 [0,0,0,0,0,0|3,1,0]=4 8 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [1,0,0,0,0,0|2,0,1]=4 9 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [1,0,0,0,0,0|0,0,2]=3 10 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,0,0,0|2,0,1]=4 11 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,0,0,0|1,1,1]=4 15 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [1,0,0,0,0,0|1,1,1]=4 18 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N10479 [1,0,0,0,0,0|1,0,2]=4 19 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 N12897 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.13 ClC1=CC([C@@H]2CCCN2)=CC=C1 Y10468 [1,0,0,0,0,0|1,0,2]=4 21 B15R2.14 NCC1=NC(C2=CC=CC(Cl)=C2)=CN1 68075 [0,1,0,0,0,0|1,0,2]=4 22 B15R2.299 O=C1C[C@H](C2=CC(Cl)=C(Cl)C=C2)CN1 65732 [0,1,0,0,0,0|3,0,0]=4 23 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90497 [0,1,0,0,0,0|0,1,0]=2 24 B15R2.334 NC1=NN(C2=CC=CC(Cl)=C2)C(=O)C1 F53366 [0,1,0,0,0,0|2,0,1]=4 25 B13R1.15 COC(=O)CCC1=CC(O)=CC=C1 Y10606 [0,0,1,0,0,0|3,0,0]=4 26 B13R1.15 COC(=O)CCC1=CC=CC(F)=C1 AB9718 [0,0,1,0,0,0|2,1,0]=4 27 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(Cl)=C1 58168 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.147 O=C(O)C[C@H](O)C1=CC=CC(Cl)=C1 D80731 [0,0,1,0,0,0|3,0,0]=4 29 B13R2.151 O=C1CC(C2=CC=CC(Br)=C2)C1 91866 [0,0,0,0,1,0|2,1,0]=4 30 B13R2.151 O=C1CC(C2=CC=CC(Cl)=C2)C1 91865 [0,0,0,0,1,0|2,0,0]=3 31 B15R2.28 O=C1CCC(C2=CC=CC(Cl)=C2)CC1 C71200 [0,0,0,0,0,1|3,0,0]=4 32 B15R2.28 O=C1CC[C@H](C2=CC=CC(Cl)=C2)CN1 AC1991 [0,0,0,0,0,1|2,0,1]=4 33 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,1,0,0,0|1,0,1]=4 34 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,0,1,0,0,0|2,0,0]=4 36 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [2,0,0,0,0,0|0,0,2]=4 37 B14R1.32 CCOC(=O)CCC1=CC=CC(Cl)=C1 D84518 [0,1,1,0,0,0|2,0,0]=4 38 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [1,1,0,0,0,0|1,0,1]=4 39 B14R2.4476 O=C(O)C1CC1C2=CC=CC(Cl)=C2 Y10404 [0,0,1,1,0,0|2,0,0]=4 40 B14R2.8235 C[C@H]1CC(=O)NC2=C1C=C(Cl)C=C2 P16869 [0,0,1,1,0,0|1,0,1]=4 41 B12R1.50 CCC(=O)CC1=CC=CC(Cl)=C1 N14150 [0,0,1,0,1,0|2,0,0]=4 42 B12R1.50 COC(=O)CC1=CC=CC(Cl)=N1 C73088 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 57493 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 N10486 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(Cl)=C1 Y10477 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.225 O=C(O)[C@H](F)C1=CC=CC(Cl)=C1 98548 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(Cl)=C1 SC4021 [0,0,1,0,1,0|2,0,0]=4 50 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,0,1,0|1,0,1]=4 51 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,0,1,0|1,0,1]=4 52 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,0,1,0|2,0,0]=4 53 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,0,0,0,2,0|0,0,1]=3 54 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,0,0,0,2,0|0,1,1]=4 55 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [1,0,0,0,0,1|1,0,1]=4 56 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [1,0,0,0,0,1|1,0,1]=4