0 B16R2.23521 CC1=CC2=C(C=C1)NC(=O)C(C(=O)O)=C2 M15851 [0,0,0,0,0,0|2,0,1]=3 1 B16R2.23521 O=C(O)C1=C(O)C=C2C=CC(O)=CC2=C1 D11406 [0,0,0,0,0,0|3,0,0]=3 2 B15R2.984 CC(=O)C1=C(C)N=C2C=CN=CC2=C1 A8452 [1,0,0,0,0,0|2,0,0]=3 3 B15R2.984 NC1=C(C(=O)O)C=C2C=CC=CC2=C1 A8475 [1,0,0,0,0,0|2,0,0]=3 4 B15R2.984 O=C(O)C1=CC2=C(C=CC=C2)N=C1Cl C15768 [1,0,0,0,0,0|1,0,0]=2 5 B15R2.984 O=C(O)C1=CC2=CC=CC=C2C=C1O H4990 [1,0,0,0,0,0|2,0,0]=3 6 B15R2.984 O=C(O)C1=CC2=CC=CC=C2NC1=O O14972 [1,0,0,0,0,0|1,0,1]=3 7 B15R2.1824 CC1=CC2=C(C=C1)N=C(Cl)C(C=O)=C2 C9256 [1,0,0,0,0,0|2,0,0]=3 8 B15R2.7174 O=C(O)C1=CC2=C(C=CC(Cl)=C2)OC1 C9471 [1,0,0,0,0,0|1,0,1]=3 9 B17R2.64948 COC1=CC2=C(C=C1)NC(=O)C(C(=O)O)=C2 M15859 [0,1,0,0,0,0|2,0,1]=4 10 B17R2.64948 COC1=CC2=CC(C(=O)O)=C(O)C=C2C=C1 H11407 [0,1,0,0,0,0|3,0,0]=4 11 B14R2.781 CC(=O)C1=CC2=CC=CC=C2C=C1 A2208 [2,0,0,0,0,0|2,0,0]=4 12 B14R2.781 N=C(N)C1=CC2=CC=CC=C2N=C1 Q13929 [2,0,0,0,0,0|2,0,0]=4 13 B14R2.781 O=C(Cl)C1=CC=C2C=CC=CC2=C1 N8626 [2,0,0,0,0,0|2,0,0]=4 14 B14R2.781 O=C(O)C1=CC2=CC=CC=C2C=C1 N0909 [2,0,0,0,0,0|1,0,0]=3 15 B14R2.781 O=C(O)C1=CC2=CC=CN=C2C=C1 Q7944 [2,0,0,0,0,0|2,0,0]=4 16 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [2,0,0,0,0,0|1,0,0]=3 17 B14R2.781 O=C(O)C1=CN=C2C=CC=CC2=N1 Q7983 [2,0,0,0,0,0|1,0,0]=3 18 B14R2.781 O=C(O)C1=NC2=CC=CC=C2C=C1 Q4977 [2,0,0,0,0,0|2,0,0]=4 19 B14R2.781 O=[N+]([O-])C1=CC2=C(C=CC=C2)N=C1 N7986 [2,0,0,0,0,0|1,0,1]=4 20 B16R2.8614 NC1=C(C=O)C(=O)C2=C(C=CC(Cl)=C2)O1 A10050 [1,1,0,0,0,0|2,0,0]=4 21 B16R2.37661 COC1=CC2=CC(C=O)=C(Cl)N=C2C=C1 C9959 [1,1,0,0,0,0|2,0,0]=4 22 B16R2.12044 CC1=CC2=C(C=C1)OC=C(C(=O)O)C2=O M9194 [1,1,0,0,0,0|2,0,0]=4 23 B16R2.12044 CC1=CC2=C(O)C(C(=O)O)=CN=C2C=C1 H15777 [1,1,0,0,0,0|1,0,0]=3 24 B16R2.12044 O=C(O)C1=CN=C2C=CC(Cl)=CC2=C1O C15650 [1,1,0,0,0,0|0,0,0]=2 25 B16R2.12044 O=C(O)C1=CNC2=C(C=C(Cl)C=C2)C1=O C13065 [1,1,0,0,0,0|0,0,1]=3 26 B16R2.12044 O=C(O)C1=COC2=C(C=C(Cl)C=C2)C1=O C10101 [1,1,0,0,0,0|1,0,0]=3 27 B16R2.133406 O=C(O)C1=NC2=CC(Cl)=CC=C2C(O)=C1 C17463 [1,1,0,0,0,0|2,0,0]=4 28 B16R2.7527 COC1=CC2=C(C=C1)NC(C)=C2C(=O)O M14371 [0,1,0,0,1,0|1,0,1]=4 29 B16R2.453115 COC(=O)C1=C(C)NC2=CC=C(O)C=C21 H15778 [0,1,0,0,1,0|1,0,1]=4 30 B14R2.450 CC1=C(C(=O)O)NC2=CC=CC=C21 M15872 [1,0,0,0,1,0|1,0,0]=3 31 B14R2.450 CC1=C(C(=O)O)OC2=CC=CC=C21 M14783 [1,0,0,0,1,0|1,0,0]=3 32 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 C9577 [1,0,0,0,1,0|2,0,0]=4 33 B14R2.642 CC(=O)C1=C(C)N=C2C=CC=CN21 A7993 [1,0,0,0,1,0|2,0,0]=4 34 B14R2.19008 CC1=C(C=O)N2C=C(Br)C=CC2=N1 B10616 [1,0,0,0,1,0|1,1,0]=4 35 B14R2.19008 CC1=CN2C(=NC(C)=C2C=O)C=C1 D7998 [1,0,0,0,1,0|2,0,0]=4 36 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=C2 M19353 [1,0,0,0,1,0|1,0,1]=4 37 B14R2.4529 CC1=CC=C2C=C(C(=O)O)NC2=C1 M11952 [1,0,0,0,1,0|2,0,0]=4 38 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [1,0,0,0,1,0|1,0,0]=3 39 B14R2.4529 O=C(O)C1=CC2=C(C=C(Cl)C=C2)N1 C6672 [1,0,0,0,1,0|1,0,0]=3 40 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [1,0,0,0,1,0|1,1,0]=4 41 B14R2.4529 O=C(O)C1=CC2=C(C=C(F)C=C2)N1 F8163 [1,0,0,0,1,0|1,1,0]=4 42 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)N1 C3244 [1,0,0,0,1,0|0,0,1]=3 43 B14R2.4529 O=C(O)C1=CC2=C(C=CC(Cl)=C2)O1 C8872 [1,0,0,0,1,0|1,0,0]=3 44 B14R2.4529 O=C(O)C1=CC2=C(C=CC(O)=C2)N1 H8087 [1,0,0,0,1,0|1,0,1]=4 45 B14R2.4529 O=C(O)C1=CC2=CC(Br)=CC=C2N1 B1098 [1,0,0,0,1,0|0,1,1]=4 46 B14R2.4529 O=C(O)C1=CN2C=C(Br)C=CC2=N1 B10682 [1,0,0,0,1,0|1,1,0]=4 47 B14R2.4529 O=C(O)C1=NC2=CC(Cl)=CC=C2S1 C17837 [1,0,0,0,1,0|2,0,0]=4 48 B14R2.4529 O=C(O)C1=NC2=CC=C(Cl)C=C2N1 C16715 [1,0,0,0,1,0|1,0,0]=3 49 B14R2.5816 O=C(O)C1=CNC2=C1C=C(Cl)C=C2 C14281 [1,0,0,0,1,0|0,0,1]=3 50 B14R2.5816 O=C(O)C1=CNC2=CC=C(Br)C=C21 B12337 [1,0,0,0,1,0|0,1,1]=4 51 B14R2.5816 O=C(O)C1=CNC2=CC=C(F)C=C21 F12325 [1,0,0,0,1,0|0,1,1]=4 52 B14R2.5816 O=C(O)C1=NNC2=CC=C(Cl)C=C21 C4465 [1,0,0,0,1,0|1,0,1]=4 53 B16R2.133456 O=C(O)C1=C(O)C2=CC=C(Cl)C=C2N=C1 C6762 [0,0,0,0,1,1|1,0,0]=3