0 B12R2.252 O=C(O)C1=CC2=C(C=CS2)N1 4012315 [0,0,0,0,0,0|0,1,0]=1 1 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 4091219 [0,0,0,0,0,0|3,0,1]=4 2 B12R2.252 O=C(O)C1=CN2C=CSC2=N1 4401040 [0,0,0,0,0,0|3,0,1]=4 3 B13R2.531 COC(=O)C1=CC2=C(N=CS2)S1 4108203 [0,1,0,0,0,0|2,1,0]=4 4 B11R1.35 NC(CC1=CC=CO1)C(=O)O 4141555 [0,0,1,0,0,0|0,0,2]=3 5 B13R2.430 O=C(O)C1=CC2=C(N=C1)NC=N2 4110795 [0,0,0,0,0,1|2,0,1]=4 6 B13R2.430 O=C(O)C1=CC2=CC=NN2C=C1 4063095 [0,0,0,0,0,1|3,0,0]=4 7 B13R2.430 O=C(O)C1=CC=C2C=CNC2=N1 4039379 [0,0,0,0,0,1|2,0,1]=4 8 B13R2.430 O=C(O)C1=CC=C2SC=NC2=C1 4003349 [0,0,0,0,0,1|2,1,0]=4 9 B13R2.435 CC(=O)C1=NC2=CC=CC=C2N1 4009570 [0,0,0,0,0,1|3,0,0]=4 10 B13R2.435 NC(=O)C1=CC2=CC=CC=C2S1 4045182 [0,0,0,0,0,1|3,0,0]=4 11 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4088003 [0,0,0,0,0,1|2,0,1]=4 12 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4089063 [0,0,0,0,0,1|2,0,1]=4 13 B13R2.435 O=C(O)C1=CN2C=CC=CC2=N1 4401038 [0,0,0,0,0,1|2,0,1]=4 14 B13R2.435 O=C(O)C1=CN2C=CC=NC2=N1 4014386 [0,0,0,0,0,1|2,0,1]=4 15 B13R2.435 O=C(O)C1=NC2=C(N=CC=C2)N1 4108215 [0,0,0,0,0,1|2,0,0]=3 16 B13R2.435 O=C(O)C1=NC2=CC=CC=C2S1 4400806 [0,0,0,0,0,1|2,0,1]=4 17 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4088002 [0,0,0,0,0,1|2,0,1]=4 18 B13R2.435 O=C(O)C1=NN2C=CC=NC2=C1 4400923 [0,0,0,0,0,1|2,0,1]=4 19 B10R1.66 O=C(O)\C=C\C1=CC=CS1 3002329 [1,0,1,0,0,0|0,1,0]=3 20 B10R1.31 N#CC1=CNC(C(=O)O)=C1 4045693 [1,0,1,0,0,0|1,0,1]=4 21 B10R1.31 O=C(O)C1=CC=C(CO)O1 4004044 [1,0,1,0,0,0|1,0,1]=4 22 B14R2.601 CC1=CC2=C(C=CC(C(=O)O)=C2)O1 4013749 [0,1,0,0,0,1|1,0,0]=3 23 B14R2.601 CC1=NC2=CC=C(C(=O)O)C=C2O1 4042992 [0,1,0,0,0,1|2,0,0]=4 24 B14R2.24358 CN1C=CC2=C1C=C(C(=O)O)C=C2 4029335 [0,1,0,0,0,1|2,0,0]=4 25 B14R2.450 NC1=C(C(=O)O)SC2=NC=CC=C21 4033010 [0,1,0,0,0,1|2,0,0]=4 26 B14R2.450 O=C(O)C1=C(Cl)C2=C(C=CC=C2)S1 3003092 [0,1,0,0,0,1|2,0,0]=4 27 B14R2.450 O=C(O)C1=C(Cl)C2=CC=CC=C2N1 4042558 [0,1,0,0,0,1|1,0,0]=3 28 B14R2.4529 CC1=CC2=C(C=C1)NC(C(=O)O)=N2 4012864 [0,1,0,0,0,1|2,0,0]=4 29 B14R2.4529 CC1=CC2=C(C=C1)OC(C(=O)O)=C2 4008763 [0,1,0,0,0,1|2,0,0]=4 30 B14R2.7969 CC1=CC=CC2=C1OC(C(=O)O)=C2 4041510 [0,1,0,0,0,1|2,0,0]=4 31 B14R2.7969 O=C(O)C1=CC2=C(C=CC=C2Cl)N1 4402643 [0,1,0,0,0,1|1,0,0]=3 32 B14R2.7969 O=C(O)C1=CC2=CC=CC(Cl)=C2N1 4023476 [0,1,0,0,0,1|1,0,0]=3 33 B12R1.43 O=C(O)C(=O)NC1=CC=CC=C1 4027804 [0,0,1,0,0,1|2,0,0]=4 34 B12R1.226 NC1=CC=CC(\C=C\C(=O)O)=C1 5139503 [0,0,1,0,0,1|1,0,0]=3 35 B12R2.32 O=CC1=CC2=CC=CC=C2N1 4130840 [1,0,0,0,0,1|1,0,0]=3 36 B12R2.32 O=CC1=CC2=CC=CC=C2S1 4300821 [1,0,0,0,0,1|2,0,0]=4 37 B12R2.32 O=CC1=NC2=C(C=CC=C2)N1 4300303 [1,0,0,0,0,1|2,0,0]=4 38 B14R2.768 O=C(O)CC1=NC2=C(C=CC=C2)N1 4400292 [0,0,0,0,0,2|2,0,0]=4