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(F)=C2)=NN1 F13759 [0,0,0,0,0,0|3,0,1]=4 4 B14R2.22 NC1=CC(C2=CC=CC(F)=C2)=NO1 32446 [0,0,0,0,0,0|2,0,1]=3 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 O=C1C[C@H](C2=CC=CC(Br)=C2)CN1 SC1221 [0,0,0,0,0,0|3,1,0]=4 7 B13R2.10 BrC1=NC(C2=CC=CC=C2)=NO1 27773 [1,0,0,0,0,0|2,0,1]=4 8 B13R2.10 NC1=NC(C2=CC=CC=C2)=CO1 78069 [1,0,0,0,0,0|0,0,2]=3 9 B13R2.10 O=C1CC[C@@H](C2=CC=CC=C2)N1 P18707 [1,0,0,0,0,0|2,0,1]=4 10 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 53458 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.10 O=C1CC[C@H](C2=CC=CC=C2)C1 94449 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.10 O=C1NC[C@@H](C2=CC=CC=C2)O1 W13319 [1,0,0,0,0,0|3,0,0]=4 13 B13R2.10 O=C1N[C@H](C2=CC=CC=C2)CS1 39089 [1,0,0,0,0,0|1,1,1]=4 14 B13R2.10 OC1=NC(C2=CC=CC=C2)=NO1 25676 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 P10376 [1,0,0,0,0,0|1,1,1]=4 16 B13R2.10 S=C1N[C@H](C2=CC=CC=C2)CS1 T71985 [1,0,0,0,0,0|1,1,1]=4 17 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 23431 [1,0,0,0,0,0|1,0,2]=4 18 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 31645 [1,0,0,0,0,0|1,0,2]=4 19 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 N10969 [1,0,0,0,0,0|1,0,2]=4 20 B13R2.13 FC1=CC([C@@H]2CCCN2)=CC=C1 Y11221 [1,0,0,0,0,0|1,0,2]=4 21 B13R2.13 FC1=CC([C@H]2CCNC2)=CC=C1 65765 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.14 FC1=CC=CC(C2=NOC(CCl)=N2)=C1 71811 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.299 NC1=CC(C2=CC(F)=C(F)C=C2)=NO1 71656 [0,1,0,0,0,0|2,0,1]=4 24 B15R2.303 CC1=C(F)C=CC=C1[C@@H]2COC(N)=N2 90497 [0,1,0,0,0,0|0,0,0]=1 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|2,0,0]=3 27 B13R1.147 N[C@@H](CC(=O)O)C1=CC=CC(F)=C1 61005 [0,0,1,0,0,0|3,0,0]=4 28 B13R1.149 O=C(O)CCCC1=CC=CC(F)=C1 AB9372 [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|2,1,0]=4 31 B15R2.28 O=C1CCC(C2=CC=CC(F)=C2)CC1 C75049 [0,0,0,0,0,1|3,0,0]=4 32 B12R1.27 COC(=O)NCC1=CC=CC=C1 C75727 [1,0,1,0,0,0|1,0,1]=4 33 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC1152 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.107 C[C@@H](CC(=O)O)C1=CC=CC=C1 AC6792 [1,0,1,0,0,0|2,0,0]=4 35 B12R2.2 C1=CC=C(C2=COC=N2)C=C1 50592 [2,0,0,0,0,0|0,0,2]=4 36 B14R1.135 COC(=O)[C@@H](N)CC1=CC=CC(F)=C1 Y14045 [0,1,1,0,0,0|2,0,0]=4 37 B14R2.20 O=C1N[C@H](C2=CC=C(Cl)C=C2)CO1 11502 [1,1,0,0,0,0|1,0,1]=4 38 B14R2.390 O=C1CCCC2=CC=CC(F)=C2N1 I10673 [0,0,1,1,0,0|2,0,0]=4 39 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 D85965 [0,0,1,0,1,0|2,0,0]=4 40 B12R1.225 CC1=CC=CC([C@@H](C)C(=O)O)=C1 F20906 [0,0,1,0,1,0|2,0,0]=4 41 B12R1.225 NC(=O)[C@H](N)C1=CC=CC(F)=C1 D80946 [0,0,1,0,1,0|1,0,1]=4 42 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 52230 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23986 [0,0,1,0,1,0|2,0,0]=4 44 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 AT23988 [0,0,1,0,1,0|2,0,0]=4 45 B12R1.225 N[C@@H](C(=O)O)C1=CC=CC(F)=C1 Y11806 [0,0,1,0,1,0|2,0,0]=4 46 B12R1.225 O=C(O)[C@H](O)C1=CC=CC(F)=C1 C75007 [0,0,1,0,1,0|2,0,0]=4 47 B12R2.22 N[C@H]1C[C@H](C2=CC=CC=C2)C1 38954 [1,0,0,0,1,0|1,0,1]=4 48 B12R2.23 NC1CCC1C2=CC=CC=C2 84062 [1,0,0,0,1,0|1,0,1]=4 49 B12R2.23 O=C1CC[C@@H]1C2=CC=CC=C2 84064 [1,0,0,0,1,0|2,0,0]=4 50 B12R2.2313 FC1=CC(C2CNC2)=CC=C1 85611 [1,0,0,0,1,0|1,0,1]=4 51 B12R2.80 NC1CC1C2=CC=CC(Cl)=C2 Y10415 [0,0,0,0,2,0|0,1,1]=4 52 B12R2.80 NC1CC1C2=CC=CC(F)=C2 F31083 [0,0,0,0,2,0|0,0,1]=3 53 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 77666 [1,0,0,0,0,1|1,0,1]=4 54 B14R2.68 O=C1CN[C@H](C2=CC=CC=C2)CO1 P17213 [1,0,0,0,0,1|1,0,1]=4