Compound;SMILES;beta-hematin inhibition IC50 (µM);NF54 parasite IC50 (µM);D10 parasite IC50 (µM);D6 parasite IC50 (µM);K1 parasite IC50 (µM);CHO IC50 (µM);Kinetic solubility (µM) pH 2 /  6.5 / FaSSIF;Degradation half-life (min) h/r/m;In vitro clearance (µL/min/mg protein) h/r/m;Hepatic extraction (EH) h/r/m
12a;O=C(NC1=CC=CC=C1)C2=C([N+]([O-])=O)C=CC=C2;>1000;>41.3 ± ND;;;;;;;;
12b;[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=CC=C2)=O)=C1)=O;22 ± 1;5 ± 1;;;;;;;;
12c;[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=NC=C2)=O)=C1)=O;10.9 ± 0.3;2.3 ± 0.3;2.4 ± ND;4.76;;;;;;
12d;[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=CN=C2)=O)=C1)=O;13 ± 1;5 ± 1;2.3 ±ND;;;;;;;
12e;[O-][N+](C1=CC([N+]([O-])=O)=CC(C(NC2=CC=CC=N2)=O)=C1)=O;134 ± 8;22 ± 4;24 ± 5;;;;;;;
15a;O=[N+]([O-])C1=CC(C(NC2=CC=NC=C2)=O)=CC(C(NC3=CC=NC=C3)=O)=C1;4.3 ± 0.1;0.7 ± 0.2;0.9 ± 0.1;0.19;2.86 ± 0.08 ;>275;199.7 / <5 / 13;>150/>150/>150;<11.6/<11.6/<11.6;<0.42/<0.30/<0.33
15b;O=[N+]([O-])C1=CC(C(NC2=CN=CC=C2)=O)=CC(C(NC3=CC=CN=C3)=O)=C1;4.7 ± 0.7;1.32 ± 0.04;;;;;;;;
15c;O=[N+]([O-])C1=CC(C(NC2=CC=CC=C2)=O)=CC(C(NC3=CC=CC=C3)=O)=C1;7.0 ± 0.2;1.4 ± 0.2;;;;;;;;
15d;O=C(NC1=CC=NC=C1)C2=CC(C#N)=CC(C(NC3=CC=NC=C3)=O)=C2;6.34 ± 0.09;1.9 ± 0.2;2.0 ± 0.2;;;;;;;
15e;O=C(NC1=CC=CC=C1)C2=CC(C#N)=CC(C(NC3=CC=CC=C3)=O)=C2;4.4 ± 0.2;;5.2 ± ND;;;;;;;
15f;CC1=CC(C(NC2=CC=NC=C2)=O)=CC(C(NC3=CC=NC=C3)=O)=C1;8 ± 1;2.5 ± 0.6;;;;;;;;
15g;CC1=CC(C(NC2=CC=CC=C2)=O)=CC(C(NC3=CC=CC=C3)=O)=C1;>1000;146 ± 1;;;;;;;;
15h;O=C(NC1=CC=NC=C1)C2=CC(C(C)(C)C)=CC(C(NC3=CC=NC=C3)=O)=C2;13.3 ±  0.7;1.6 ± 0.2;;;;;;;;
15i;O=C(NC1=CC=CN=C1)C2=CC(C(C)(C)C)=CC(C(NC3=CN=CC=C3)=O)=C2;6.8 ± 0.1;0.6 ± 0.1;0.7 ± 0.1;;1.7 ± 0.4;185;197.2 / 92.7 / 153.6;141.9/93.2/52.4;14.1/33.5/130.3;0.4/0.4/0.6
15j;O=C(NC1=CC=CC=C1)C2=CC(C(C)(C)C)=CC(C(NC3=CC=CC=C3)=O)=C2;>1000;8.1 ± 0.5;;;;;;;;
15k;[H]C1=CC(C(NC2=CC=NC=C2)=O)=CC(C(NC3=CC=NC=C3)=O)=C1;507 ± 33;9 ± 4;;;;;;;;
15l;[H]C1=CC(C(NC2=CC=CC=C2)=O)=CC(C(NC3=CC=CC=C3)=O)=C1;>1000;>314 ;;;;;;;;
15m;O=C(NC1=CC=NC=C1)C2=CC(OC)=CC(C(NC3=CC=NC=C3)=O)=C2;22 ±  1;3.0 ± 0.5;;;;;;;;
15n;O=C(NC1=CC=CC=C1)C2=CC(OC)=CC(C(NC3=CC=CC=C3)=O)=C2;> 1000;37 ± 13;;;;;;;;
15o;[H]C1=CC(C(NC2=CC=NC=C2)=O)=NC(C(NC3=CC=NC=C3)=O)=C1;260 ± 7;>315 ;;;;;;;;
15p;[H]C1=CC(C(NC2=CC=CC=C2)=O)=NC(C(NC3=CC=CC=C3)=O)=C1;>1000;>315 ;;;;;;;;
17;O=C(NC1=CC=C(CN(C)C)C=C1)C2=CC(C(NC3=CC=C(CN(C)C)C=C3)=O)=CC([N+]([O-])=O)=C2;7.9 ± 0.2;1.5 ± 0.2;;;;;;;;
18;O=C(NC1=NC(C=CC=C2)=C2N1)C3=CC(C(NC4=CC=CC=C4)=O)=CC([N+]([O-])=O)=C3;68;>249;;;;;;;;
20;O=C(NC1=CC=CC=C1)C2=CC(C(NC3=CC=CC=C3)=O)=CC(C(NC4=CC=CC=C4)=O)=C2;21 ± 1;81 ± 12;>42 ;;;;;;;