0 B14R2.20 C1=CC(=CC=C1C2=CC(=NN2)N)Cl A151518 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)Br A140256 [0,0,0,0,0,0|0,2,2]=4 2 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)Cl A151219 [0,0,0,0,0,0|0,1,2]=3 3 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)F A186592 [0,0,0,0,0,0|0,2,2]=4 4 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)I I294184 [0,0,0,0,0,0|0,2,2]=4 5 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)N A299472 [0,0,0,0,0,0|1,1,2]=4 6 B14R2.20 C1=CC(=CC=C1C2=CSC(=N2)N)O B301318 [0,0,0,0,0,0|1,1,2]=4 7 B14R2.20 C1=CC(=CC=C1C2=NC(=S)NN2)Cl C169108 [0,0,0,0,0,0|3,0,1]=4 8 B14R2.20 C1=CC(=CC=C1C2=NN=C(O2)N)Cl A467245 [0,0,0,0,0,0|3,0,1]=4 9 B14R2.20 C1=CC(=CC=C1C2=NOC(=C2)N)Cl A169693 [0,0,0,0,0,0|2,0,1]=3 10 B14R2.20 C1=CC(=CC=C1C2=NOC(=C2)N)F A405691 [0,0,0,0,0,0|2,1,1]=4 11 B14R2.20 CC1=CC=C(C=C1)C2=CSC(=N2)N A151217 [0,0,0,0,0,0|1,1,2]=4 12 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)N A113932 [1,0,0,0,0,0|0,1,2]=4 13 B13R2.10 C1=CC=C(C=C1)C2=CSC(=N2)N A170774 [1,0,0,0,0,0|0,1,2]=4 14 B13R2.10 C1=CC=C(C=C1)C2=NC(=NN2)N P341759 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.10 C1=CC=C(C=C1)C2=NOC(=C2)N A138839 [1,0,0,0,0,0|2,0,1]=4 16 B13R2.10 C1C(CNC1=O)C2=CC=CC=C2 P190023 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P107587 [1,0,0,0,0,0|1,0,1]=3 18 B13R2.10 C1C(NC(=O)O1)C2=CC=CC=C2 P111345 [1,0,0,0,0,0|1,0,1]=3 19 B13R2.10 C1C(NC(=S)O1)C2=CC=CC=C2 R131929 [1,0,0,0,0,0|1,0,1]=3 20 B13R2.10 C1C(NC(=S)S1)C2=CC=CC=C2 S161095 [1,0,0,0,0,0|1,1,1]=4 21 B13R2.10 CC1=NC(=NO1)C2=CC=CC=C2 M341768 [1,0,0,0,0,0|2,0,1]=4 22 B15R2.275 C1=CC(=CC=C1C2=NOC(=N2)CO)Cl C356562 [0,1,0,0,0,0|2,0,1]=4 23 B15R2.299 C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)Cl A151221 [0,1,0,0,0,0|0,1,2]=4 24 B15R2.309 CC1=C(N=C(S1)N)C2=CC=C(C=C2)Cl A405627 [0,1,0,0,0,0|0,1,2]=4 25 B13R1.14 COC(=O)C#CC1=CC=C(C=C1)Cl M404670 [0,0,1,0,0,0|2,0,1]=4 26 B13R1.14 COC(=O)C=CC1=CC=C(C=C1)Cl M102141 [0,0,1,0,0,0|2,0,1]=4 27 B13R1.14 COC(=O)CCC1=CC=C(C=C1)Br M139243 [0,0,1,0,0,0|2,1,0]=4 28 B13R1.14 COC(=O)CCC1=CC=C(C=C1)O M115480 [0,0,1,0,0,0|3,0,0]=4 29 B13R1.132 C1=CC(=CC=C1C(CC(=O)O)N)Cl A151555 [0,0,1,0,0,0|3,0,0]=4 30 B15R2.3 C1CC(=O)CCC1C2=CC=C(C=C2)Cl C190953 [0,0,0,0,0,1|3,0,0]=4 31 B15R2.98 C1C(NC(=O)O1)CC2=CC=C(C=C2)N A102249 [0,0,0,0,0,1|2,0,1]=4 32 B12R1.16 C=CCC(C1=CC=C(C=C1)Cl)O C468752 [1,0,1,0,0,0|2,0,0]=4 33 B12R1.21 C1=CC(=CC=C1CCC(=O)O)Cl C138442 [1,0,1,0,0,0|2,0,0]=4 34 B12R1.27 COC(=O)CCC1=CC=CC=C1 M103601 [1,0,1,0,0,0|2,0,0]=4 35 B12R1.27 COC(=O)CCC1=CC=CC=C1 M140616 [1,0,1,0,0,0|2,0,0]=4 36 B12R1.107 CC(CC(=O)O)C1=CC=CC=C1 P133853 [1,0,1,0,0,0|2,0,0]=4 37 B12R1.252 CC(=O)OCCC1=CC=CC=C1 P160150 [1,0,1,0,0,0|2,0,0]=4 38 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117071 [0,1,1,0,0,0|2,0,0]=4 39 B14R1.134 COC(=O)C(CC1=CC=C(C=C1)Cl)N C117072 [0,1,1,0,0,0|2,0,0]=4 40 B14R1.502 CCOC(=O)CCC1=CC=C(C=C1)Cl E589967 [0,1,1,0,0,0|2,0,0]=4 41 B14R2.4402 C1C(C1C(=O)O)C2=CC=C(C=C2)Cl C590683 [0,0,1,1,0,0|2,0,0]=4 42 B12R1.49 CC1=CC=C(C=C1)CC(=O)OC M158718 [0,0,1,0,1,0|2,0,0]=4 43 B12R1.49 COC(=O)CC1=CC=C(C=C1)Br M176451 [0,0,1,0,1,0|1,1,0]=4 44 B12R1.49 COC(=O)CC1=CC=C(C=C1)Cl M158186 [0,0,1,0,1,0|1,0,0]=3 45 B12R1.49 COC(=O)CC1=CC=C(C=C1)I M589746 [0,0,1,0,1,0|1,1,0]=4 46 B12R1.49 COC(=O)CC1=CC=C(C=C1)O M117442 [0,0,1,0,1,0|2,0,0]=4 47 B12R1.20 C1=CC(=CC=C1C(C(=O)O)Br)Cl B138689 [0,0,1,0,1,0|2,0,0]=4 48 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl H194523 [0,0,1,0,1,0|2,0,0]=4 49 B12R1.20 C1=CC(=CC=C1C(C(=O)O)N)Cl S161342 [0,0,1,0,1,0|2,0,0]=4 50 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153313 [0,0,1,0,1,0|2,0,0]=4 51 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl C153759 [0,0,1,0,1,0|2,0,0]=4 52 B12R1.20 C1=CC(=CC=C1C(C(=O)O)O)Cl S194966 [0,0,1,0,1,0|2,0,0]=4 53 B12R1.20 CC(C1=CC=C(C=C1)O)C(=O)O H156996 [0,0,1,0,1,0|2,0,0]=4 54 B12R1.20 CC1=CC=C(C=C1)C(C)C(=O)O P195954 [0,0,1,0,1,0|2,0,0]=4 55 B12R2.2302 C1C(CO1)C2=CC=C(C=C2)Br B587155 [1,0,0,0,1,0|0,1,1]=4 56 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117491 [1,0,0,0,0,1|1,0,1]=4 57 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117536 [1,0,0,0,0,1|1,0,1]=4 58 B14R2.19 C1C(NC(=O)O1)CC2=CC=CC=C2 B117537 [1,0,0,0,0,1|1,0,1]=4 59 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 R464185 [1,0,0,0,0,1|1,0,1]=4 60 B14R2.19 C1C(NC(=S)O1)CC2=CC=CC=C2 S464396 [1,0,0,0,0,1|1,0,1]=4