0 B14R1.744 CC(=O)NC1=CC=CC=C1C(=O)NN DP01060 [0,0,0,0,0,0|2,0,0]=2 1 B13R1.589 CC(=O)NC1=C(C(C)C)C=CC=C1 TL00848 [1,0,0,0,0,0|1,0,1]=3 2 B13R1.589 CC(=O)NC1=CC=CC=C1[N+](=O)[O-] TL00610 [1,0,0,0,0,0|1,0,1]=3 3 B13R1.589 CC(=O)OC1=C(C(C)=O)C=CC=C1 CD02515 [1,0,0,0,0,0|1,0,0]=2 4 B15R1.3847 COC(=O)C1=CC=CC=C1NC(=S)OC EN00195 [0,1,0,0,0,0|0,1,0]=2 5 B15R1.11372 COC(=O)C1=CC=CC=C1CS(C)(=O)=O CD05665 [0,1,0,0,0,0|2,0,0]=3 6 B15R1.11372 COC(=O)C1=CC=CC=C1NS(C)(=O)=O BTB06819 [0,1,0,0,0,0|1,0,0]=2 7 B15R1.11677 COC(=O)C1=CC=C(Cl)C=C1NC(C)=O BTB07262 [0,1,0,0,0,0|0,0,0]=1 8 B15R2.24965 CC(=O)N1C(=O)C(=O)C2=C1C=CC=C2 S04457 [0,0,0,1,0,0|2,0,0]=3 9 B13R1.547 COC(=O)C1=CC=NC=C1C(=O)O BTB07951 [0,0,0,0,1,0|2,0,0]=3 10 B13R1.551 COC(=O)C1=C(NC(C)=O)C=CS1 CD08704 [0,0,0,0,1,0|1,0,0]=2 11 B15R1.985 COC(=O)C1=CC=CC=C1SCC(C)=O KM07591 [0,0,0,0,0,1|1,0,0]=2 12 B12R1.75 CCC1=CC=CC=C1NC(C)=O TL00639 [2,0,0,0,0,0|0,0,1]=3 13 B12R1.75 COC1=C(NC(N)=S)C=CC=C1 SPB06629 [2,0,0,0,0,0|1,1,0]=4 14 B12R1.75 COC1=CC=CC=C1NC(N)=O JA00157 [2,0,0,0,0,0|1,0,0]=3 15 B12R1.77 CNC1=CC=CC=C1C(=O)NN DP01747 [2,0,0,0,0,0|2,0,0]=4 16 B12R1.77 COC(=O)C1=CC=CN=C1SC BTB06827 [2,0,0,0,0,0|2,0,0]=4 17 B14R1.814 CC(=O)NC1=CC=CC=C1NC(C)=O TL00809 [1,1,0,0,0,0|2,0,0]=4 18 B14R1.789 COC(=O)C1=CC=CC=C1N\C=N\O CD11684 [1,1,0,0,0,0|0,0,1]=3 19 B14R1.164 CC(=O)NC1=C(C(=O)O)C=CC(Cl)=C1 BTB00691 [1,1,0,0,0,0|0,0,0]=2 20 B14R1.4894 CC(=O)OC1=C(C(=O)O)C=CC=C1C SB01734 [1,1,0,0,0,0|1,0,0]=3 21 B14R1.4926 CC(=O)NC1=CC=CC(C)=C1C(=O)O BTB09608 [1,1,0,0,0,0|0,0,0]=2 22 B14R1.4926 CC(=O)NC1=CC=CC(F)=C1C(=O)O BTB04253 [1,1,0,0,0,0|0,0,0]=2 23 B14R1.6074 CC(=O)NC1=C([N+](=O)[O-])C=C(Br)C=C1 KM06404 [1,1,0,0,0,0|1,0,1]=4 24 B14R1.6074 CC(=O)NC1=C([N+](=O)[O-])C=C(F)C=C1 DP01929 [1,1,0,0,0,0|1,0,1]=4 25 B14R1.6074 CC(=O)NC1=CC=C(C)C=C1C(=O)O HTS13970 [1,1,0,0,0,0|0,0,0]=2 26 B14R1.6074 CC(=O)NC1=CC=C(C)C=C1[N+](=O)[O-] BTB00582 [1,1,0,0,0,0|1,0,1]=4 27 B14R1.6074 CC(=O)OC1=C(C(=O)O)C=C(Cl)C=C1 KM04902 [1,1,0,0,0,0|1,0,0]=3 28 B14R1.1166 COC(=O)C1=C(C)SC=C1NC(C)=O GK02321 [0,1,0,0,1,0|1,0,0]=3 29 B14R1.3308 CCC(=O)NC1=C(C(=O)OC)SC=C1 GK02516 [0,1,0,0,1,0|1,0,0]=3 30 B14R1.3308 COC(=O)C1=C(NC(=S)OC)C=CS1 GK02355 [0,1,0,0,1,0|1,1,0]=4 31 B14R1.7637 COC(=O)C1=C(NS(C)(=O)=O)C=CS1 KM03307 [0,1,0,0,1,0|2,0,0]=4 32 B16R1.1332 COC(=O)CSC1=NC=CC=C1C(=O)OC RH00714 [0,1,0,0,0,1|2,0,0]=4 33 B16R1.16698 COC(=O)C1=C(NC(=S)N(C)C)C=CC=C1 S03902 [0,1,0,0,0,1|2,0,0]=4 34 B16R1.16698 COC(=O)C1=C(NC(=S)N(C)N)C=CC=C1 DP01635 [0,1,0,0,0,1|2,0,0]=4 35 B16R1.1556 CCOC(=O)NC1=CC=CC=C1C(=O)OC P00099 [0,2,0,0,0,0|0,0,0]=2 36 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)CC#N GK00171 [0,2,0,0,0,0|0,0,0]=2 37 B16R1.1556 COC(=O)C1=CC=CC=C1NC(=O)\C=N\O KM10109 [0,2,0,0,0,0|0,0,1]=3 38 B16R1.75818 COC(=O)C1=CC=C(Cl)C=C1NS(C)(=O)=O BTB06700 [0,2,0,0,0,0|1,0,0]=3 39 B14R2.738 CC1CC(=O)NC2=C(C=CC=C2)S1 RJC00303 [1,0,0,1,0,0|2,0,0]=4 40 B14R2.738 CC1CC(=O)NC2=CC=CC=C2O1 JFD00283 [1,0,0,1,0,0|2,0,0]=4 41 B14R2.1146 COC1=CC(=O)OC2=CC=CC=C12 S11995 [1,0,0,1,0,0|1,0,1]=4 42 B14R2.287 O=C1CNC(=O)C2=CC=CC=C2N1 BTB01794 [1,0,0,1,0,0|1,0,0]=3 43 B14R2.8188 CN1C(=O)CC2=CC=CC=C2C1=O RJC04083 [1,0,0,1,0,0|2,0,0]=4 44 B14R2.10782 COC(=O)C1=CC=CC2=C1NC=C2 BTB12321 [1,0,0,1,0,0|0,0,1]=3 45 B14R2.25733 O=C1CC(C(=O)O)C2=C1C=CC=C2 BTB10091 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.7724 CC1=CC(=O)C2=CC=CC=C2C1=O SB01122 [0,0,0,1,1,0|1,0,1]=4 47 B16R2.12279 CC(=O)N1CCC(=O)NC2=C1C=CC=C2 NRB00838 [0,0,0,1,0,1|1,0,0]=3 48 B16R2.3155 O=C1CCCCC(=O)C2=CC=CC=C2N1 RH00729 [0,1,0,1,0,0|1,0,0]=3 49 B16R2.173205 COC(=O)C1=C2NS(=O)SC2=CC(Cl)=C1 RF03420 [0,1,0,1,0,0|2,0,0]=4 50 B12R1.261 O=C(O)C1=C(C(=O)O)C=NC=C1 SB02021 [1,0,0,0,1,0|2,0,0]=4 51 B12R1.392 CC(=O)NC1=C(C(=O)O)SC=C1 GK00015 [1,0,0,0,1,0|1,0,0]=3 52 B14R1.4522 CC(=O)C1=C(OCC(=O)O)C=CC=C1 CD02486 [1,0,0,0,0,1|2,0,0]=4 53 B14R1.4522 O=C(O)CNC1=C(C(=O)O)C=CC=C1 JFD03681 [1,0,0,0,0,1|1,0,0]=3 54 B14R1.4522 O=C(O)CSC1=CC=CC=C1C(=O)O BTB07338 [1,0,0,0,0,1|2,0,0]=4 55 B14R1.733 COC(=O)C1=CC(NC(C)=O)=CC=C1 DFP00258 [0,0,0,0,1,1|0,0,0]=2 56 B14R1.733 COC(=O)C1=CC=CC(NC(N)=O)=C1 KM09276 [0,0,0,0,1,1|1,0,0]=3