├── .clang-format ├── .github └── workflows │ └── main.yaml ├── .gitignore ├── ACKNOWLEDGEMENTS.txt ├── CHANGELOG.md ├── CMakeLists.txt ├── CONTRIBUTING.md ├── LICENSE.txt ├── README.md ├── cmake ├── Modules │ └── FindComputeCpp.cmake ├── extract_compile_command.cmake ├── git_watcher.cmake ├── register_models.cmake └── toolchains │ ├── arm-gcc-poky.cmake │ └── gcc-generic.cmake ├── data ├── .gitignore ├── README.md ├── bm1 │ ├── forcefield.in │ ├── ligand.in │ ├── poses.in │ ├── protein.in │ └── ref_energies.out ├── bm2 │ ├── forcefield.in │ ├── ligand.in │ ├── params.txt │ ├── poses.in │ ├── protein.in │ └── ref_energies.out └── bm2_long │ ├── forcefield.in │ ├── ligand.in │ ├── params.txt │ ├── poses.in │ ├── protein.in │ └── ref_energies.out ├── heatmap.py ├── makedeck ├── .gitignore ├── CMakeLists.txt ├── README.md ├── input-utils.cpp ├── input-utils.h ├── main.cpp ├── make-bude-input.cpp ├── make-bude-input.h ├── make-bude-kernel.cpp ├── make-bude-kernel.h ├── raw │ ├── bhffs │ │ ├── 0_force_field.bhff │ │ ├── 1_heavy_atom_060813.bhff │ │ ├── 2_heavy_by-atom_2016-v1.bhff │ │ ├── 3_heavy_by-atom_2017-v1.bhff │ │ ├── 4_heavy_by-residue_2016-v1.bhff │ │ ├── 5_heavy_by-residue_2017-v1.bhff │ │ ├── 6_heavy_hybrid_2016-v1.bhff │ │ └── 7_heavy_hybrid_2017-v1.bhff │ └── mol2s │ │ ├── 0_1GCZ_R01_S0001_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1000_1GCZ_R01_S0001_C0000_L00017_S0001_C0029_G0010_E0001.mol2 │ │ ├── 1001_1GCZ_R01_S0001_C0000_L00017_S0001_C0029_G0010_E0001.mol2 │ │ ├── 1002_1GCZ_R01_S0001_C0000_L00017_S0001_C0030_G0010_E0001.mol2 │ │ ├── 1003_1GCZ_R01_S0001_C0000_L00017_S0001_C0030_G0010_E0001.mol2 │ │ ├── 1004_1GCZ_R01_S0001_C0000_L00017_S0001_C0031_G0010_E0001.mol2 │ │ ├── 1005_1GCZ_R01_S0001_C0000_L00017_S0001_C0031_G0010_E0001.mol2 │ │ ├── 1006_1GCZ_R01_S0001_C0000_L00017_S0001_C0032_G0010_E0001.mol2 │ │ ├── 1007_1GCZ_R01_S0001_C0000_L00017_S0001_C0032_G0010_E0001.mol2 │ │ ├── 1008_1GCZ_R01_S0001_C0000_L00017_S0001_C0033_G0010_E0001.mol2 │ │ ├── 1009_1GCZ_R01_S0001_C0000_L00017_S0001_C0033_G0010_E0001.mol2 │ │ ├── 100_1GCZ_R01_S0001_C0000_L00003_S0001_C0038_G0010_E0001.mol2 │ │ ├── 1010_1GCZ_R01_S0001_C0000_L00017_S0001_C0034_G0010_E0001.mol2 │ │ ├── 1011_1GCZ_R01_S0001_C0000_L00017_S0001_C0034_G0010_E0001.mol2 │ │ ├── 1012_1GCZ_R01_S0001_C0000_L00017_S0001_C0035_G0010_E0001.mol2 │ │ ├── 1013_1GCZ_R01_S0001_C0000_L00017_S0001_C0035_G0010_E0001.mol2 │ │ ├── 1014_1GCZ_R01_S0001_C0000_L00017_S0001_C0036_G0010_E0001.mol2 │ │ ├── 1015_1GCZ_R01_S0001_C0000_L00017_S0001_C0036_G0010_E0001.mol2 │ │ ├── 1016_1GCZ_R01_S0001_C0000_L00017_S0001_C0037_G0010_E0001.mol2 │ │ ├── 1017_1GCZ_R01_S0001_C0000_L00017_S0001_C0037_G0010_E0001.mol2 │ │ ├── 1018_1GCZ_R01_S0001_C0000_L00017_S0001_C0038_G0010_E0001.mol2 │ │ ├── 1019_1GCZ_R01_S0001_C0000_L00017_S0001_C0038_G0010_E0001.mol2 │ │ ├── 101_1GCZ_R01_S0001_C0000_L00003_S0001_C0038_G0010_E0001.mol2 │ │ ├── 1020_1GCZ_R01_S0001_C0000_L00017_S0001_C0039_G0010_E0001.mol2 │ │ ├── 1021_1GCZ_R01_S0001_C0000_L00017_S0001_C0039_G0010_E0001.mol2 │ │ ├── 1022_1GCZ_R01_S0001_C0000_L00017_S0001_C0040_G0010_E0001.mol2 │ │ ├── 1023_1GCZ_R01_S0001_C0000_L00017_S0001_C0040_G0010_E0001.mol2 │ │ ├── 1024_1GCZ_R01_S0001_C0000_L00017_S0001_C0041_G0010_E0001.mol2 │ │ ├── 1025_1GCZ_R01_S0001_C0000_L00017_S0001_C0041_G0010_E0001.mol2 │ │ ├── 1026_1GCZ_R01_S0001_C0000_L00017_S0001_C0042_G0010_E0001.mol2 │ │ ├── 1027_1GCZ_R01_S0001_C0000_L00017_S0001_C0042_G0010_E0001.mol2 │ │ ├── 1028_1GCZ_R01_S0001_C0000_L00017_S0001_C0043_G0010_E0001.mol2 │ │ ├── 1029_1GCZ_R01_S0001_C0000_L00017_S0001_C0043_G0010_E0001.mol2 │ │ ├── 102_1GCZ_R01_S0001_C0000_L00003_S0001_C0039_G0010_E0001.mol2 │ │ ├── 1030_1GCZ_R01_S0001_C0000_L00017_S0001_C0044_G0010_E0001.mol2 │ │ ├── 1031_1GCZ_R01_S0001_C0000_L00017_S0001_C0044_G0010_E0001.mol2 │ │ ├── 1032_1GCZ_R01_S0001_C0000_L00017_S0001_C0045_G0010_E0001.mol2 │ │ ├── 1033_1GCZ_R01_S0001_C0000_L00017_S0001_C0045_G0010_E0001.mol2 │ │ ├── 1034_1GCZ_R01_S0001_C0000_L00017_S0001_C0046_G0010_E0001.mol2 │ │ ├── 1035_1GCZ_R01_S0001_C0000_L00017_S0001_C0046_G0010_E0001.mol2 │ │ ├── 1036_1GCZ_R01_S0001_C0000_L00017_S0001_C0047_G0010_E0001.mol2 │ │ ├── 1037_1GCZ_R01_S0001_C0000_L00017_S0001_C0047_G0010_E0001.mol2 │ │ ├── 1038_1GCZ_R01_S0001_C0000_L00017_S0001_C0048_G0010_E0001.mol2 │ │ ├── 1039_1GCZ_R01_S0001_C0000_L00017_S0001_C0048_G0010_E0001.mol2 │ │ ├── 103_1GCZ_R01_S0001_C0000_L00003_S0001_C0039_G0010_E0001.mol2 │ │ ├── 1040_1GCZ_R01_S0001_C0000_L00017_S0001_C0049_G0010_E0001.mol2 │ │ ├── 1041_1GCZ_R01_S0001_C0000_L00017_S0001_C0049_G0010_E0001.mol2 │ │ ├── 1042_1GCZ_R01_S0001_C0000_L00017_S0001_C0050_G0010_E0001.mol2 │ │ ├── 1043_1GCZ_R01_S0001_C0000_L00017_S0001_C0050_G0010_E0001.mol2 │ │ ├── 1044_1GCZ_R01_S0001_C0000_L00018_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1045_1GCZ_R01_S0001_C0000_L00018_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1046_1GCZ_R01_S0001_C0000_L00018_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1047_1GCZ_R01_S0001_C0000_L00018_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1048_1GCZ_R01_S0001_C0000_L00018_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1049_1GCZ_R01_S0001_C0000_L00018_S0001_C0002_G0010_E0001.mol2 │ │ ├── 104_1GCZ_R01_S0001_C0000_L00003_S0001_C0040_G0010_E0001.mol2 │ │ ├── 1050_1GCZ_R01_S0001_C0000_L00019_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1051_1GCZ_R01_S0001_C0000_L00019_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1052_1GCZ_R01_S0001_C0000_L00019_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1053_1GCZ_R01_S0001_C0000_L00019_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1054_1GCZ_R01_S0001_C0000_L00019_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1055_1GCZ_R01_S0001_C0000_L00019_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1056_1GCZ_R01_S0001_C0000_L00019_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1057_1GCZ_R01_S0001_C0000_L00019_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1058_1GCZ_R01_S0001_C0000_L00019_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1059_1GCZ_R01_S0001_C0000_L00019_S0001_C0004_G0010_E0001.mol2 │ │ ├── 105_1GCZ_R01_S0001_C0000_L00003_S0001_C0040_G0010_E0001.mol2 │ │ ├── 1060_1GCZ_R01_S0001_C0000_L00019_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1061_1GCZ_R01_S0001_C0000_L00019_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1062_1GCZ_R01_S0001_C0000_L00019_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1063_1GCZ_R01_S0001_C0000_L00019_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1064_1GCZ_R01_S0001_C0000_L00020_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1065_1GCZ_R01_S0001_C0000_L00020_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1066_1GCZ_R01_S0001_C0000_L00020_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1067_1GCZ_R01_S0001_C0000_L00020_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1068_1GCZ_R01_S0001_C0000_L00020_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1069_1GCZ_R01_S0001_C0000_L00020_S0001_C0002_G0010_E0001.mol2 │ │ ├── 106_1GCZ_R01_S0001_C0000_L00003_S0001_C0041_G0010_E0001.mol2 │ │ ├── 1070_1GCZ_R01_S0001_C0000_L00020_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1071_1GCZ_R01_S0001_C0000_L00020_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1072_1GCZ_R01_S0001_C0000_L00020_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1073_1GCZ_R01_S0001_C0000_L00020_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1074_1GCZ_R01_S0001_C0000_L00020_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1075_1GCZ_R01_S0001_C0000_L00020_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1076_1GCZ_R01_S0001_C0000_L00020_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1077_1GCZ_R01_S0001_C0000_L00020_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1078_1GCZ_R01_S0001_C0000_L00020_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1079_1GCZ_R01_S0001_C0000_L00020_S0001_C0007_G0010_E0001.mol2 │ │ ├── 107_1GCZ_R01_S0001_C0000_L00003_S0001_C0041_G0010_E0001.mol2 │ │ ├── 1080_1GCZ_R01_S0001_C0000_L00021_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1081_1GCZ_R01_S0001_C0000_L00021_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1082_1GCZ_R01_S0001_C0000_L00021_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1083_1GCZ_R01_S0001_C0000_L00021_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1084_1GCZ_R01_S0001_C0000_L00021_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1085_1GCZ_R01_S0001_C0000_L00021_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1086_1GCZ_R01_S0001_C0000_L00021_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1087_1GCZ_R01_S0001_C0000_L00021_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1088_1GCZ_R01_S0001_C0000_L00021_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1089_1GCZ_R01_S0001_C0000_L00021_S0001_C0004_G0010_E0001.mol2 │ │ ├── 108_1GCZ_R01_S0001_C0000_L00003_S0001_C0042_G0010_E0001.mol2 │ │ ├── 1090_1GCZ_R01_S0001_C0000_L00021_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1091_1GCZ_R01_S0001_C0000_L00021_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1092_1GCZ_R01_S0001_C0000_L00021_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1093_1GCZ_R01_S0001_C0000_L00021_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1094_1GCZ_R01_S0001_C0000_L00022_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1095_1GCZ_R01_S0001_C0000_L00022_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1096_1GCZ_R01_S0001_C0000_L00022_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1097_1GCZ_R01_S0001_C0000_L00022_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1098_1GCZ_R01_S0001_C0000_L00022_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1099_1GCZ_R01_S0001_C0000_L00022_S0001_C0002_G0010_E0001.mol2 │ │ ├── 109_1GCZ_R01_S0001_C0000_L00003_S0001_C0042_G0010_E0001.mol2 │ │ ├── 10_1GCZ_R01_S0001_C0000_L00002_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1100_1GCZ_R01_S0001_C0000_L00022_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1101_1GCZ_R01_S0001_C0000_L00022_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1102_1GCZ_R01_S0001_C0000_L00023_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1103_1GCZ_R01_S0001_C0000_L00023_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1104_1GCZ_R01_S0001_C0000_L00023_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1105_1GCZ_R01_S0001_C0000_L00023_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1106_1GCZ_R01_S0001_C0000_L00024_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1107_1GCZ_R01_S0001_C0000_L00024_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1108_1GCZ_R01_S0001_C0000_L00024_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1109_1GCZ_R01_S0001_C0000_L00024_S0001_C0001_G0010_E0001.mol2 │ │ ├── 110_1GCZ_R01_S0001_C0000_L00003_S0001_C0043_G0010_E0001.mol2 │ │ ├── 1110_1GCZ_R01_S0001_C0000_L00024_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1111_1GCZ_R01_S0001_C0000_L00024_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1112_1GCZ_R01_S0001_C0000_L00024_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1113_1GCZ_R01_S0001_C0000_L00024_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1114_1GCZ_R01_S0001_C0000_L00024_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1115_1GCZ_R01_S0001_C0000_L00024_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1116_1GCZ_R01_S0001_C0000_L00025_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1117_1GCZ_R01_S0001_C0000_L00025_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1118_1GCZ_R01_S0001_C0000_L00025_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1119_1GCZ_R01_S0001_C0000_L00025_S0001_C0001_G0010_E0001.mol2 │ │ ├── 111_1GCZ_R01_S0001_C0000_L00003_S0001_C0043_G0010_E0001.mol2 │ │ ├── 1120_1GCZ_R01_S0001_C0000_L00025_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1121_1GCZ_R01_S0001_C0000_L00025_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1122_1GCZ_R01_S0001_C0000_L00025_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1123_1GCZ_R01_S0001_C0000_L00025_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1124_1GCZ_R01_S0001_C0000_L00026_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1125_1GCZ_R01_S0001_C0000_L00026_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1126_1GCZ_R01_S0001_C0000_L00026_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1127_1GCZ_R01_S0001_C0000_L00026_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1128_1GCZ_R01_S0001_C0000_L00026_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1129_1GCZ_R01_S0001_C0000_L00026_S0001_C0002_G0010_E0001.mol2 │ │ ├── 112_1GCZ_R01_S0001_C0000_L00003_S0001_C0044_G0010_E0001.mol2 │ │ ├── 1130_1GCZ_R01_S0001_C0000_L00026_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1131_1GCZ_R01_S0001_C0000_L00026_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1132_1GCZ_R01_S0001_C0000_L00026_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1133_1GCZ_R01_S0001_C0000_L00026_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1134_1GCZ_R01_S0001_C0000_L00026_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1135_1GCZ_R01_S0001_C0000_L00026_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1136_1GCZ_R01_S0001_C0000_L00026_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1137_1GCZ_R01_S0001_C0000_L00026_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1138_1GCZ_R01_S0001_C0000_L00026_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1139_1GCZ_R01_S0001_C0000_L00026_S0001_C0007_G0010_E0001.mol2 │ │ ├── 113_1GCZ_R01_S0001_C0000_L00003_S0001_C0044_G0010_E0001.mol2 │ │ ├── 1140_1GCZ_R01_S0001_C0000_L00026_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1141_1GCZ_R01_S0001_C0000_L00026_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1142_1GCZ_R01_S0001_C0000_L00026_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1143_1GCZ_R01_S0001_C0000_L00026_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1144_1GCZ_R01_S0001_C0000_L00026_S0001_C0010_G0010_E0001.mol2 │ │ ├── 1145_1GCZ_R01_S0001_C0000_L00026_S0001_C0010_G0010_E0001.mol2 │ │ ├── 1146_1GCZ_R01_S0001_C0000_L00026_S0001_C0011_G0010_E0001.mol2 │ │ ├── 1147_1GCZ_R01_S0001_C0000_L00026_S0001_C0011_G0010_E0001.mol2 │ │ ├── 1148_1GCZ_R01_S0001_C0000_L00026_S0001_C0012_G0010_E0001.mol2 │ │ ├── 1149_1GCZ_R01_S0001_C0000_L00026_S0001_C0012_G0010_E0001.mol2 │ │ ├── 114_1GCZ_R01_S0001_C0000_L00003_S0001_C0045_G0010_E0001.mol2 │ │ ├── 1150_1GCZ_R01_S0001_C0000_L00026_S0001_C0013_G0010_E0001.mol2 │ │ ├── 1151_1GCZ_R01_S0001_C0000_L00026_S0001_C0013_G0010_E0001.mol2 │ │ ├── 1152_1GCZ_R01_S0001_C0000_L00026_S0001_C0014_G0010_E0001.mol2 │ │ ├── 1153_1GCZ_R01_S0001_C0000_L00026_S0001_C0014_G0010_E0001.mol2 │ │ ├── 1154_1GCZ_R01_S0001_C0000_L00026_S0001_C0015_G0010_E0001.mol2 │ │ ├── 1155_1GCZ_R01_S0001_C0000_L00026_S0001_C0015_G0010_E0001.mol2 │ │ ├── 1156_1GCZ_R01_S0001_C0000_L00026_S0001_C0016_G0010_E0001.mol2 │ │ ├── 1157_1GCZ_R01_S0001_C0000_L00026_S0001_C0016_G0010_E0001.mol2 │ │ ├── 1158_1GCZ_R01_S0001_C0000_L00026_S0001_C0017_G0010_E0001.mol2 │ │ ├── 1159_1GCZ_R01_S0001_C0000_L00026_S0001_C0017_G0010_E0001.mol2 │ │ ├── 115_1GCZ_R01_S0001_C0000_L00003_S0001_C0045_G0010_E0001.mol2 │ │ ├── 1160_1GCZ_R01_S0001_C0000_L00026_S0001_C0018_G0010_E0001.mol2 │ │ ├── 1161_1GCZ_R01_S0001_C0000_L00026_S0001_C0018_G0010_E0001.mol2 │ │ ├── 1162_1GCZ_R01_S0001_C0000_L00026_S0001_C0019_G0010_E0001.mol2 │ │ ├── 1163_1GCZ_R01_S0001_C0000_L00026_S0001_C0019_G0010_E0001.mol2 │ │ ├── 1164_1GCZ_R01_S0001_C0000_L00026_S0001_C0020_G0010_E0001.mol2 │ │ ├── 1165_1GCZ_R01_S0001_C0000_L00026_S0001_C0020_G0010_E0001.mol2 │ │ ├── 1166_1GCZ_R01_S0001_C0000_L00026_S0001_C0021_G0010_E0001.mol2 │ │ ├── 1167_1GCZ_R01_S0001_C0000_L00026_S0001_C0021_G0010_E0001.mol2 │ │ ├── 1168_1GCZ_R01_S0001_C0000_L00026_S0001_C0023_G0010_E0001.mol2 │ │ ├── 1169_1GCZ_R01_S0001_C0000_L00026_S0001_C0023_G0010_E0001.mol2 │ │ ├── 116_1GCZ_R01_S0001_C0000_L00003_S0001_C0046_G0010_E0001.mol2 │ │ ├── 1170_1GCZ_R01_S0001_C0000_L00026_S0001_C0024_G0010_E0001.mol2 │ │ ├── 1171_1GCZ_R01_S0001_C0000_L00026_S0001_C0024_G0010_E0001.mol2 │ │ ├── 1172_1GCZ_R01_S0001_C0000_L00026_S0001_C0025_G0010_E0001.mol2 │ │ ├── 1173_1GCZ_R01_S0001_C0000_L00026_S0001_C0025_G0010_E0001.mol2 │ │ ├── 1174_1GCZ_R01_S0001_C0000_L00026_S0001_C0026_G0010_E0001.mol2 │ │ ├── 1175_1GCZ_R01_S0001_C0000_L00026_S0001_C0026_G0010_E0001.mol2 │ │ ├── 1176_1GCZ_R01_S0001_C0000_L00026_S0001_C0027_G0010_E0001.mol2 │ │ ├── 1177_1GCZ_R01_S0001_C0000_L00026_S0001_C0027_G0010_E0001.mol2 │ │ ├── 1178_1GCZ_R01_S0001_C0000_L00026_S0001_C0028_G0010_E0001.mol2 │ │ ├── 1179_1GCZ_R01_S0001_C0000_L00026_S0001_C0028_G0010_E0001.mol2 │ │ ├── 117_1GCZ_R01_S0001_C0000_L00003_S0001_C0046_G0010_E0001.mol2 │ │ ├── 1180_1GCZ_R01_S0001_C0000_L00026_S0001_C0029_G0010_E0001.mol2 │ │ ├── 1181_1GCZ_R01_S0001_C0000_L00026_S0001_C0029_G0010_E0001.mol2 │ │ ├── 1182_1GCZ_R01_S0001_C0000_L00026_S0001_C0030_G0010_E0001.mol2 │ │ ├── 1183_1GCZ_R01_S0001_C0000_L00026_S0001_C0030_G0010_E0001.mol2 │ │ ├── 1184_2ZTA_chainA_syb.mol2 │ │ ├── 1185_2ZTA_chainB_syb.mol2 │ │ ├── 1186_EXPERIMENTAL.mol2 │ │ ├── 1187_ZINC01456998.mol2 │ │ ├── 1188_ZINC02096229.mol2 │ │ ├── 1189_ZINC02227500.mol2 │ │ ├── 118_1GCZ_R01_S0001_C0000_L00003_S0001_C0047_G0010_E0001.mol2 │ │ ├── 1190_ZINC02437791.mol2 │ │ ├── 1191_ZINC03040181.mol2 │ │ ├── 1192_ZINC04389476.mol2 │ │ ├── 1193_ZINC04900664.mol2 │ │ ├── 1194_ZINC51162372.mol2 │ │ ├── 1195_ZINC61153122.mol2 │ │ ├── 1196_ZINC61234762.mol2 │ │ ├── 1197_ZINC61234769.mol2 │ │ ├── 1198_ZINC61282001.mol2 │ │ ├── 1199_ZINC61282005.mol2 │ │ ├── 119_1GCZ_R01_S0001_C0000_L00003_S0001_C0047_G0010_E0001.mol2 │ │ ├── 11_1GCZ_R01_S0001_C0000_L00002_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1200_ZINC61282011.mol2 │ │ ├── 1201_ZINC61303593.mol2 │ │ ├── 1202_ZINC61332986.mol2 │ │ ├── 1203_ZINC61352350.mol2 │ │ ├── 1204_ZINC61400536.mol2 │ │ ├── 1205_ZINC61408927.mol2 │ │ ├── 1206_ZINC61419927.mol2 │ │ ├── 1207_ZINC61464195.mol2 │ │ ├── 1208_ZINC61563277.mol2 │ │ ├── 1209_ZINC61580633.mol2 │ │ ├── 120_1GCZ_R01_S0001_C0000_L00003_S0001_C0048_G0010_E0001.mol2 │ │ ├── 1210_ZINC61597528.mol2 │ │ ├── 1211_ZINC61646583.mol2 │ │ ├── 1212_bude_1gcz_proA.mol2 │ │ ├── 1213_bude_1gcz_proA_syb.mol2 │ │ ├── 1214_complex_1.mol2 │ │ ├── 1215_complex_1.mol2 │ │ ├── 1216_complex_1.mol2 │ │ ├── 1217_complex_1.mol2 │ │ ├── 1218_complex_10.mol2 │ │ ├── 1219_complex_10.mol2 │ │ ├── 121_1GCZ_R01_S0001_C0000_L00003_S0001_C0048_G0010_E0001.mol2 │ │ ├── 1220_complex_10.mol2 │ │ ├── 1221_complex_10.mol2 │ │ ├── 1222_complex_2.mol2 │ │ ├── 1223_complex_2.mol2 │ │ ├── 1224_complex_2.mol2 │ │ ├── 1225_complex_2.mol2 │ │ ├── 1226_complex_3.mol2 │ │ ├── 1227_complex_3.mol2 │ │ ├── 1228_complex_3.mol2 │ │ ├── 1229_complex_3.mol2 │ │ ├── 122_1GCZ_R01_S0001_C0000_L00003_S0001_C0049_G0010_E0001.mol2 │ │ ├── 1230_complex_4.mol2 │ │ ├── 1231_complex_4.mol2 │ │ ├── 1232_complex_4.mol2 │ │ ├── 1233_complex_4.mol2 │ │ ├── 1234_complex_5.mol2 │ │ ├── 1235_complex_5.mol2 │ │ ├── 1236_complex_5.mol2 │ │ ├── 1237_complex_5.mol2 │ │ ├── 1238_complex_6.mol2 │ │ ├── 1239_complex_6.mol2 │ │ ├── 123_1GCZ_R01_S0001_C0000_L00003_S0001_C0049_G0010_E0001.mol2 │ │ ├── 1240_complex_6.mol2 │ │ ├── 1241_complex_6.mol2 │ │ ├── 1242_complex_7.mol2 │ │ ├── 1243_complex_7.mol2 │ │ ├── 1244_complex_7.mol2 │ │ ├── 1245_complex_7.mol2 │ │ ├── 1246_complex_8.mol2 │ │ ├── 1247_complex_8.mol2 │ │ ├── 1248_complex_8.mol2 │ │ ├── 1249_complex_8.mol2 │ │ ├── 124_1GCZ_R01_S0001_C0000_L00003_S0001_C0050_G0010_E0001.mol2 │ │ ├── 1250_complex_9.mol2 │ │ ├── 1251_complex_9.mol2 │ │ ├── 1252_complex_9.mol2 │ │ ├── 1253_complex_9.mol2 │ │ ├── 1254_ligA_bude_3_confs.mol2 │ │ ├── 1255_scan_R01_S0001_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1256_scan_R01_S0001_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1257_scan_R01_S0001_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1258_scan_R01_S0001_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1259_scan_R01_S0001_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 125_1GCZ_R01_S0001_C0000_L00003_S0001_C0050_G0010_E0001.mol2 │ │ ├── 1260_scan_R01_S0001_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1261_scan_R01_S0002_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1262_scan_R01_S0002_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1263_scan_R01_S0002_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1264_scan_R01_S0002_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1265_scan_R01_S0002_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1266_scan_R01_S0002_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1267_scan_R01_S0003_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1268_scan_R01_S0003_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1269_scan_R01_S0003_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 126_1GCZ_R01_S0001_C0000_L00004_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1270_scan_R01_S0003_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1271_scan_R01_S0003_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1272_scan_R01_S0003_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1273_scan_R01_S0004_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1274_scan_R01_S0004_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1275_scan_R01_S0004_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1276_scan_R01_S0004_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1277_scan_R01_S0004_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1278_scan_R01_S0004_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1279_scan_R01_S0005_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 127_1GCZ_R01_S0001_C0000_L00004_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1280_scan_R01_S0005_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1281_scan_R01_S0005_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1282_scan_R01_S0005_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1283_scan_R01_S0005_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1284_scan_R01_S0005_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1285_scan_R01_S0006_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1286_scan_R01_S0006_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1287_scan_R01_S0006_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1288_scan_R01_S0006_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1289_scan_R01_S0006_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 128_1GCZ_R01_S0001_C0000_L00004_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1290_scan_R01_S0006_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1291_scan_R01_S0007_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1292_scan_R01_S0007_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1293_scan_R01_S0007_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1294_scan_R01_S0007_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1295_scan_R01_S0007_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1296_scan_R01_S0007_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1297_scan_R01_S0008_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1298_scan_R01_S0008_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1299_scan_R01_S0008_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 129_1GCZ_R01_S0001_C0000_L00004_S0001_C0001_G0010_E0001.mol2 │ │ ├── 12_1GCZ_R01_S0001_C0000_L00002_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1300_scan_R01_S0008_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1301_scan_R01_S0008_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1302_scan_R01_S0008_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1303_scan_R01_S0009_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1304_scan_R01_S0009_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1305_scan_R01_S0009_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1306_scan_R01_S0009_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1307_scan_R01_S0009_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1308_scan_R01_S0009_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1309_scan_R01_S0010_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 130_1GCZ_R01_S0001_C0000_L00004_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1310_scan_R01_S0010_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1311_scan_R01_S0010_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1312_scan_R01_S0010_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1313_scan_R01_S0010_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1314_scan_R01_S0010_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1315_scan_R01_S0011_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1316_scan_R01_S0011_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1317_scan_R01_S0011_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1318_scan_R01_S0011_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1319_scan_R01_S0011_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 131_1GCZ_R01_S0001_C0000_L00004_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1320_scan_R01_S0011_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1321_scan_R01_S0012_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1322_scan_R01_S0012_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1323_scan_R01_S0012_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1324_scan_R01_S0012_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1325_scan_R01_S0012_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1326_scan_R01_S0012_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1327_scan_R01_S0012_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1328_scan_R01_S0012_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1329_scan_R01_S0013_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 132_1GCZ_R01_S0001_C0000_L00004_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1330_scan_R01_S0013_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1331_scan_R01_S0013_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1332_scan_R01_S0013_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1333_scan_R01_S0013_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1334_scan_R01_S0013_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1335_scan_R01_S0014_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1336_scan_R01_S0014_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1337_scan_R01_S0014_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1338_scan_R01_S0014_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1339_scan_R01_S0014_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 133_1GCZ_R01_S0001_C0000_L00004_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1340_scan_R01_S0014_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1341_scan_R01_S0015_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1342_scan_R01_S0015_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1343_scan_R01_S0015_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1344_scan_R01_S0015_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1345_scan_R01_S0015_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1346_scan_R01_S0015_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1347_scan_R01_S0016_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1348_scan_R01_S0016_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1349_scan_R01_S0016_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 134_1GCZ_R01_S0001_C0000_L00004_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1350_scan_R01_S0016_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1351_scan_R01_S0016_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1352_scan_R01_S0016_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1353_scan_R01_S0017_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1354_scan_R01_S0017_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1355_scan_R01_S0017_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1356_scan_R01_S0017_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1357_scan_R01_S0017_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1358_scan_R01_S0017_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1359_scan_R01_S0018_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 135_1GCZ_R01_S0001_C0000_L00004_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1360_scan_R01_S0018_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1361_scan_R01_S0018_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1362_scan_R01_S0018_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1363_scan_R01_S0018_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1364_scan_R01_S0018_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1365_scan_R01_S0019_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1366_scan_R01_S0019_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1367_scan_R01_S0019_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1368_scan_R01_S0019_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1369_scan_R01_S0019_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 136_1GCZ_R01_S0001_C0000_L00004_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1370_scan_R01_S0019_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1371_scan_R01_S0020_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1372_scan_R01_S0020_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1373_scan_R01_S0020_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1374_scan_R01_S0020_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1375_scan_R01_S0020_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1376_scan_R01_S0020_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1377_scan_R01_S0021_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1378_scan_R01_S0021_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1379_scan_R01_S0021_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 137_1GCZ_R01_S0001_C0000_L00004_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1380_scan_R01_S0021_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1381_scan_R01_S0021_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1382_scan_R01_S0021_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1383_scan_R01_S0022_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1384_scan_R01_S0022_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1385_scan_R01_S0022_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1386_scan_R01_S0022_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1387_scan_R01_S0022_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1388_scan_R01_S0022_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1389_scan_R01_S0023_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 138_1GCZ_R01_S0001_C0000_L00004_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1390_scan_R01_S0023_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1391_scan_R01_S0023_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1392_scan_R01_S0023_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1393_scan_R01_S0023_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1394_scan_R01_S0023_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1395_scan_R01_S0024_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1396_scan_R01_S0024_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1397_scan_R01_S0024_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1398_scan_R01_S0024_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1399_scan_R01_S0024_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 139_1GCZ_R01_S0001_C0000_L00004_S0001_C0006_G0010_E0001.mol2 │ │ ├── 13_1GCZ_R01_S0001_C0000_L00002_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1400_scan_R01_S0024_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1401_scan_R01_S0025_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1402_scan_R01_S0025_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1403_scan_R01_S0025_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1404_scan_R01_S0025_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1405_scan_R01_S0025_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1406_scan_R01_S0025_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1407_scan_R01_S0026_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1408_scan_R01_S0026_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1409_scan_R01_S0026_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 140_1GCZ_R01_S0001_C0000_L00004_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1410_scan_R01_S0026_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1411_scan_R01_S0026_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1412_scan_R01_S0026_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1413_scan_R01_S0027_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1414_scan_R01_S0027_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1415_scan_R01_S0027_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1416_scan_R01_S0027_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1417_scan_R01_S0027_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1418_scan_R01_S0027_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1419_scan_R01_S0028_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 141_1GCZ_R01_S0001_C0000_L00004_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1420_scan_R01_S0028_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1421_scan_R01_S0028_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1422_scan_R01_S0028_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1423_scan_R01_S0028_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1424_scan_R01_S0028_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1425_scan_R01_S0029_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1426_scan_R01_S0029_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1427_scan_R01_S0029_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1428_scan_R01_S0029_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1429_scan_R01_S0029_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 142_1GCZ_R01_S0001_C0000_L00004_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1430_scan_R01_S0029_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1431_scan_R01_S0030_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1432_scan_R01_S0030_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1433_scan_R01_S0030_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1434_scan_R01_S0030_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1435_scan_R01_S0030_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1436_scan_R01_S0030_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1437_scan_R01_S0031_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1438_scan_R01_S0031_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1439_scan_R01_S0031_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 143_1GCZ_R01_S0001_C0000_L00004_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1440_scan_R01_S0031_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1441_scan_R01_S0031_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1442_scan_R01_S0031_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1443_scan_R01_S0032_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1444_scan_R01_S0032_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1445_scan_R01_S0032_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1446_scan_R01_S0032_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1447_scan_R01_S0032_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1448_scan_R01_S0032_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1449_scan_R01_S0033_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 144_1GCZ_R01_S0001_C0000_L00004_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1450_scan_R01_S0033_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1451_scan_R01_S0033_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1452_scan_R01_S0033_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1453_scan_R01_S0033_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1454_scan_R01_S0033_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1455_scan_R01_S0034_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1456_scan_R01_S0034_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1457_scan_R01_S0034_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1458_scan_R01_S0034_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1459_scan_R01_S0034_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 145_1GCZ_R01_S0001_C0000_L00004_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1460_scan_R01_S0034_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1461_scan_R01_S0035_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1462_scan_R01_S0035_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1463_scan_R01_S0035_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1464_scan_R01_S0035_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1465_scan_R01_S0035_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1466_scan_R01_S0035_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1467_scan_R01_S0036_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1468_scan_R01_S0036_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1469_scan_R01_S0036_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 146_1GCZ_R01_S0001_C0000_L00004_S0001_C0010_G0010_E0001.mol2 │ │ ├── 1470_scan_R01_S0036_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1471_scan_R01_S0036_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1472_scan_R01_S0036_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1473_scan_R01_S0037_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1474_scan_R01_S0037_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1475_scan_R01_S0037_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1476_scan_R01_S0037_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1477_scan_R01_S0037_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1478_scan_R01_S0037_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1479_scan_R01_S0037_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 147_1GCZ_R01_S0001_C0000_L00004_S0001_C0010_G0010_E0001.mol2 │ │ ├── 1480_scan_R01_S0038_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1481_scan_R01_S0038_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1482_scan_R01_S0038_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1483_scan_R01_S0038_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1484_scan_R01_S0038_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1485_scan_R01_S0038_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1486_scan_R01_S0039_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1487_scan_R01_S0039_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1488_scan_R01_S0039_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1489_scan_R01_S0039_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 148_1GCZ_R01_S0001_C0000_L00005_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1490_scan_R01_S0039_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1491_scan_R01_S0039_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1492_scan_R01_S0040_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1493_scan_R01_S0040_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1494_scan_R01_S0040_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1495_scan_R01_S0040_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1496_scan_R01_S0040_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1497_scan_R01_S0040_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1498_scan_R01_S0041_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1499_scan_R01_S0041_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 149_1GCZ_R01_S0001_C0000_L00005_S0001_C0000_G0010_E0001.mol2 │ │ ├── 14_1GCZ_R01_S0001_C0000_L00002_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1500_scan_R01_S0041_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1501_scan_R01_S0041_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1502_scan_R01_S0041_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1503_scan_R01_S0041_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1504_scan_R01_S0042_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1505_scan_R01_S0042_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1506_scan_R01_S0042_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1507_scan_R01_S0042_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1508_scan_R01_S0042_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1509_scan_R01_S0042_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 150_1GCZ_R01_S0001_C0000_L00005_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1510_scan_R01_S0043_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1511_scan_R01_S0043_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1512_scan_R01_S0043_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1513_scan_R01_S0043_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1514_scan_R01_S0043_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1515_scan_R01_S0043_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1516_scan_R01_S0044_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1517_scan_R01_S0044_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1518_scan_R01_S0044_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1519_scan_R01_S0044_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 151_1GCZ_R01_S0001_C0000_L00005_S0001_C0001_G0010_E0001.mol2 │ │ ├── 1520_scan_R01_S0044_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1521_scan_R01_S0044_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1522_scan_R01_S0045_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1523_scan_R01_S0045_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1524_scan_R01_S0045_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1525_scan_R01_S0045_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1526_scan_R01_S0045_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1527_scan_R01_S0045_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1528_scan_R01_S0045_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1529_scan_R01_S0045_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 152_1GCZ_R01_S0001_C0000_L00005_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1530_scan_R01_S0045_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1531_scan_R01_S0045_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1532_scan_R01_S0045_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1533_scan_R01_S0046_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1534_scan_R01_S0046_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1535_scan_R01_S0046_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1536_scan_R01_S0046_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1537_scan_R01_S0046_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1538_scan_R01_S0046_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1539_scan_R01_S0047_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 153_1GCZ_R01_S0001_C0000_L00005_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1540_scan_R01_S0047_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1541_scan_R01_S0047_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1542_scan_R01_S0047_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1543_scan_R01_S0047_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1544_scan_R01_S0047_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1545_scan_R01_S0048_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1546_scan_R01_S0048_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1547_scan_R01_S0048_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1548_scan_R01_S0048_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1549_scan_R01_S0048_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 154_1GCZ_R01_S0001_C0000_L00005_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1550_scan_R01_S0048_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1551_scan_R01_S0049_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1552_scan_R01_S0049_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1553_scan_R01_S0049_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1554_scan_R01_S0049_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1555_scan_R01_S0049_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1556_scan_R01_S0049_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1557_scan_R01_S0050_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1558_scan_R01_S0050_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1559_scan_R01_S0050_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 155_1GCZ_R01_S0001_C0000_L00005_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1560_scan_R01_S0050_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1561_scan_R01_S0050_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1562_scan_R01_S0050_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1563_scan_R01_S0051_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1564_scan_R01_S0051_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1565_scan_R01_S0051_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1566_scan_R01_S0051_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1567_scan_R01_S0051_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1568_scan_R01_S0051_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1569_scan_R01_S0052_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 156_1GCZ_R01_S0001_C0000_L00005_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1570_scan_R01_S0052_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1571_scan_R01_S0052_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1572_scan_R01_S0052_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1573_scan_R01_S0052_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1574_scan_R01_S0052_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1575_scan_R01_S0053_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1576_scan_R01_S0053_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1577_scan_R01_S0053_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1578_scan_R01_S0053_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1579_scan_R01_S0053_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 157_1GCZ_R01_S0001_C0000_L00005_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1580_scan_R01_S0053_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1581_scan_R01_S0054_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1582_scan_R01_S0054_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1583_scan_R01_S0054_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1584_scan_R01_S0054_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1585_scan_R01_S0054_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1586_scan_R01_S0054_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1587_scan_R01_S0055_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1588_scan_R01_S0055_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1589_scan_R01_S0055_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 158_1GCZ_R01_S0001_C0000_L00005_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1590_scan_R01_S0055_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1591_scan_R01_S0055_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1592_scan_R01_S0055_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1593_scan_R01_S0056_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1594_scan_R01_S0056_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1595_scan_R01_S0056_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1596_scan_R01_S0056_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1597_scan_R01_S0056_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1598_scan_R01_S0056_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1599_scan_R01_S0057_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 159_1GCZ_R01_S0001_C0000_L00005_S0001_C0005_G0010_E0001.mol2 │ │ ├── 15_1GCZ_R01_S0001_C0000_L00002_S0001_C0004_G0010_E0001.mol2 │ │ ├── 1600_scan_R01_S0057_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1601_scan_R01_S0057_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1602_scan_R01_S0057_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1603_scan_R01_S0057_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1604_scan_R01_S0057_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1605_scan_R01_S0058_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1606_scan_R01_S0058_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1607_scan_R01_S0058_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1608_scan_R01_S0058_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1609_scan_R01_S0058_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 160_1GCZ_R01_S0001_C0000_L00005_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1610_scan_R01_S0058_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1611_scan_R01_S0059_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1612_scan_R01_S0059_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1613_scan_R01_S0059_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1614_scan_R01_S0059_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1615_scan_R01_S0059_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1616_scan_R01_S0059_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1617_scan_R01_S0060_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1618_scan_R01_S0060_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1619_scan_R01_S0060_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 161_1GCZ_R01_S0001_C0000_L00005_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1620_scan_R01_S0060_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1621_scan_R01_S0060_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1622_scan_R01_S0060_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1623_scan_R01_S0061_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1624_scan_R01_S0061_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1625_scan_R01_S0061_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1626_scan_R01_S0061_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1627_scan_R01_S0061_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1628_scan_R01_S0061_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1629_scan_R01_S0062_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 162_1GCZ_R01_S0001_C0000_L00005_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1630_scan_R01_S0062_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1631_scan_R01_S0062_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1632_scan_R01_S0062_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1633_scan_R01_S0062_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1634_scan_R01_S0062_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1635_scan_R01_S0063_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1636_scan_R01_S0063_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1637_scan_R01_S0063_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1638_scan_R01_S0063_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1639_scan_R01_S0063_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 163_1GCZ_R01_S0001_C0000_L00005_S0001_C0007_G0010_E0001.mol2 │ │ ├── 1640_scan_R01_S0063_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1641_scan_R01_S0064_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1642_scan_R01_S0064_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1643_scan_R01_S0064_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1644_scan_R01_S0064_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1645_scan_R01_S0064_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1646_scan_R01_S0064_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1647_scan_R01_S0065_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1648_scan_R01_S0065_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1649_scan_R01_S0065_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 164_1GCZ_R01_S0001_C0000_L00005_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1650_scan_R01_S0065_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1651_scan_R01_S0065_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1652_scan_R01_S0065_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1653_scan_R01_S0066_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1654_scan_R01_S0066_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1655_scan_R01_S0066_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1656_scan_R01_S0066_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1657_scan_R01_S0066_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1658_scan_R01_S0066_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1659_scan_R01_S0067_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 165_1GCZ_R01_S0001_C0000_L00005_S0001_C0008_G0010_E0001.mol2 │ │ ├── 1660_scan_R01_S0067_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1661_scan_R01_S0067_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1662_scan_R01_S0067_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1663_scan_R01_S0067_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1664_scan_R01_S0067_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1665_scan_R01_S0068_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1666_scan_R01_S0068_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1667_scan_R01_S0068_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1668_scan_R01_S0068_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1669_scan_R01_S0068_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 166_1GCZ_R01_S0001_C0000_L00005_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1670_scan_R01_S0068_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1671_scan_R01_S0069_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1672_scan_R01_S0069_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1673_scan_R01_S0069_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1674_scan_R01_S0069_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1675_scan_R01_S0069_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1676_scan_R01_S0069_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1677_scan_R01_S0070_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1678_scan_R01_S0070_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1679_scan_R01_S0070_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 167_1GCZ_R01_S0001_C0000_L00005_S0001_C0009_G0010_E0001.mol2 │ │ ├── 1680_scan_R01_S0070_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1681_scan_R01_S0070_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1682_scan_R01_S0070_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1683_scan_R01_S0071_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1684_scan_R01_S0071_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1685_scan_R01_S0071_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1686_scan_R01_S0071_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1687_scan_R01_S0071_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1688_scan_R01_S0071_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1689_scan_R01_S0072_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 168_1GCZ_R01_S0001_C0000_L00005_S0001_C0010_G0010_E0001.mol2 │ │ ├── 1690_scan_R01_S0072_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1691_scan_R01_S0072_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1692_scan_R01_S0072_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1693_scan_R01_S0072_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1694_scan_R01_S0072_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1695_scan_R01_S0073_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1696_scan_R01_S0073_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1697_scan_R01_S0073_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1698_scan_R01_S0073_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1699_scan_R01_S0073_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 169_1GCZ_R01_S0001_C0000_L00005_S0001_C0010_G0010_E0001.mol2 │ │ ├── 16_1GCZ_R01_S0001_C0000_L00002_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1700_scan_R01_S0073_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1701_scan_R01_S0074_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1702_scan_R01_S0074_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1703_scan_R01_S0074_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1704_scan_R01_S0074_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1705_scan_R01_S0074_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1706_scan_R01_S0074_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1707_scan_R01_S0075_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1708_scan_R01_S0075_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1709_scan_R01_S0075_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 170_1GCZ_R01_S0001_C0000_L00005_S0001_C0011_G0010_E0001.mol2 │ │ ├── 1710_scan_R01_S0075_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1711_scan_R01_S0075_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1712_scan_R01_S0075_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1713_scan_R01_S0075_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1714_scan_R01_S0075_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1715_scan_R01_S0075_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1716_scan_R01_S0075_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1717_scan_R01_S0075_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1718_scan_R01_S0075_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1719_scan_R01_S0076_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 171_1GCZ_R01_S0001_C0000_L00005_S0001_C0011_G0010_E0001.mol2 │ │ ├── 1720_scan_R01_S0076_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1721_scan_R01_S0076_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1722_scan_R01_S0076_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1723_scan_R01_S0076_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1724_scan_R01_S0076_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1725_scan_R01_S0076_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1726_scan_R01_S0076_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1727_scan_R01_S0076_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1728_scan_R01_S0076_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1729_scan_R01_S0076_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 172_1GCZ_R01_S0001_C0000_L00005_S0001_C0012_G0010_E0001.mol2 │ │ ├── 1730_scan_R01_S0076_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1731_scan_R01_S0077_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1732_scan_R01_S0077_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1733_scan_R01_S0077_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1734_scan_R01_S0077_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1735_scan_R01_S0077_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1736_scan_R01_S0077_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1737_scan_R01_S0078_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1738_scan_R01_S0078_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1739_scan_R01_S0078_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 173_1GCZ_R01_S0001_C0000_L00005_S0001_C0012_G0010_E0001.mol2 │ │ ├── 1740_scan_R01_S0078_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1741_scan_R01_S0078_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1742_scan_R01_S0078_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1743_scan_R01_S0079_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1744_scan_R01_S0079_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1745_scan_R01_S0079_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1746_scan_R01_S0079_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1747_scan_R01_S0079_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1748_scan_R01_S0079_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1749_scan_R01_S0080_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 174_1GCZ_R01_S0001_C0000_L00005_S0001_C0013_G0010_E0001.mol2 │ │ ├── 1750_scan_R01_S0080_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1751_scan_R01_S0080_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1752_scan_R01_S0080_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1753_scan_R01_S0080_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1754_scan_R01_S0080_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1755_scan_R01_S0081_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1756_scan_R01_S0081_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1757_scan_R01_S0081_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1758_scan_R01_S0081_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1759_scan_R01_S0081_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 175_1GCZ_R01_S0001_C0000_L00005_S0001_C0013_G0010_E0001.mol2 │ │ ├── 1760_scan_R01_S0081_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1761_scan_R01_S0082_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1762_scan_R01_S0082_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1763_scan_R01_S0082_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1764_scan_R01_S0082_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1765_scan_R01_S0082_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1766_scan_R01_S0082_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1767_scan_R01_S0083_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1768_scan_R01_S0083_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1769_scan_R01_S0083_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 176_1GCZ_R01_S0001_C0000_L00005_S0001_C0014_G0010_E0001.mol2 │ │ ├── 1770_scan_R01_S0083_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1771_scan_R01_S0083_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1772_scan_R01_S0083_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1773_scan_R01_S0084_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1774_scan_R01_S0084_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1775_scan_R01_S0084_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1776_scan_R01_S0084_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1777_scan_R01_S0084_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1778_scan_R01_S0084_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1779_scan_R01_S0085_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 177_1GCZ_R01_S0001_C0000_L00005_S0001_C0014_G0010_E0001.mol2 │ │ ├── 1780_scan_R01_S0085_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1781_scan_R01_S0085_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1782_scan_R01_S0085_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1783_scan_R01_S0085_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1784_scan_R01_S0085_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1785_scan_R01_S0086_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1786_scan_R01_S0086_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1787_scan_R01_S0086_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1788_scan_R01_S0086_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1789_scan_R01_S0086_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 178_1GCZ_R01_S0001_C0000_L00005_S0001_C0015_G0010_E0001.mol2 │ │ ├── 1790_scan_R01_S0086_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1791_scan_R01_S0087_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1792_scan_R01_S0087_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1793_scan_R01_S0087_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1794_scan_R01_S0087_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1795_scan_R01_S0087_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1796_scan_R01_S0087_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1797_scan_R01_S0088_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1798_scan_R01_S0088_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1799_scan_R01_S0088_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 179_1GCZ_R01_S0001_C0000_L00005_S0001_C0015_G0010_E0001.mol2 │ │ ├── 17_1GCZ_R01_S0001_C0000_L00002_S0001_C0005_G0010_E0001.mol2 │ │ ├── 1800_scan_R01_S0088_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1801_scan_R01_S0088_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1802_scan_R01_S0088_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1803_scan_R01_S0089_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1804_scan_R01_S0089_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1805_scan_R01_S0089_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1806_scan_R01_S0089_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1807_scan_R01_S0089_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1808_scan_R01_S0089_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1809_scan_R01_S0090_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 180_1GCZ_R01_S0001_C0000_L00005_S0001_C0016_G0010_E0001.mol2 │ │ ├── 1810_scan_R01_S0090_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1811_scan_R01_S0090_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1812_scan_R01_S0090_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1813_scan_R01_S0090_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1814_scan_R01_S0090_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1815_scan_R01_S0091_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1816_scan_R01_S0091_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1817_scan_R01_S0091_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1818_scan_R01_S0091_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1819_scan_R01_S0091_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 181_1GCZ_R01_S0001_C0000_L00005_S0001_C0016_G0010_E0001.mol2 │ │ ├── 1820_scan_R01_S0091_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1821_scan_R01_S0092_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1822_scan_R01_S0092_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1823_scan_R01_S0092_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1824_scan_R01_S0092_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1825_scan_R01_S0092_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1826_scan_R01_S0092_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1827_scan_R01_S0093_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1828_scan_R01_S0093_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1829_scan_R01_S0093_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 182_1GCZ_R01_S0001_C0000_L00005_S0001_C0017_G0010_E0001.mol2 │ │ ├── 1830_scan_R01_S0093_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1831_scan_R01_S0093_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1832_scan_R01_S0093_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1833_scan_R01_S0094_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1834_scan_R01_S0094_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1835_scan_R01_S0094_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1836_scan_R01_S0094_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1837_scan_R01_S0094_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1838_scan_R01_S0094_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1839_scan_R01_S0095_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 183_1GCZ_R01_S0001_C0000_L00005_S0001_C0017_G0010_E0001.mol2 │ │ ├── 1840_scan_R01_S0095_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1841_scan_R01_S0095_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1842_scan_R01_S0095_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1843_scan_R01_S0095_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1844_scan_R01_S0095_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1845_scan_R01_S0096_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1846_scan_R01_S0096_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1847_scan_R01_S0096_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1848_scan_R01_S0096_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1849_scan_R01_S0096_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 184_1GCZ_R01_S0001_C0000_L00005_S0001_C0018_G0010_E0001.mol2 │ │ ├── 1850_scan_R01_S0096_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1851_scan_R01_S0097_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1852_scan_R01_S0097_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1853_scan_R01_S0097_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1854_scan_R01_S0097_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1855_scan_R01_S0097_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1856_scan_R01_S0097_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1857_scan_R01_S0098_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1858_scan_R01_S0098_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1859_scan_R01_S0098_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 185_1GCZ_R01_S0001_C0000_L00005_S0001_C0018_G0010_E0001.mol2 │ │ ├── 1860_scan_R01_S0098_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1861_scan_R01_S0098_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1862_scan_R01_S0098_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1863_scan_R01_S0099_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1864_scan_R01_S0099_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1865_scan_R01_S0099_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1866_scan_R01_S0099_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1867_scan_R01_S0099_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1868_scan_R01_S0099_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1869_scan_R01_S0100_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 186_1GCZ_R01_S0001_C0000_L00005_S0001_C0019_G0010_E0001.mol2 │ │ ├── 1870_scan_R01_S0100_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 1871_scan_R01_S0100_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1872_scan_R01_S0100_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 1873_scan_R01_S0100_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1874_scan_R01_S0100_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 1875_scan_receptorSurfPoint00000001.mol2 │ │ ├── 1876_scan_receptorSurfPoint00000001.mol2 │ │ ├── 1877_scan_receptorSurfPoint00000002.mol2 │ │ ├── 1878_scan_receptorSurfPoint00000002.mol2 │ │ ├── 1879_scan_receptorSurfPoint00000003.mol2 │ │ ├── 187_1GCZ_R01_S0001_C0000_L00005_S0001_C0019_G0010_E0001.mol2 │ │ ├── 1880_scan_receptorSurfPoint00000003.mol2 │ │ ├── 1881_scan_receptorSurfPoint00000004.mol2 │ │ ├── 1882_scan_receptorSurfPoint00000004.mol2 │ │ ├── 1883_scan_receptorSurfPoint00000005.mol2 │ │ ├── 1884_scan_receptorSurfPoint00000005.mol2 │ │ ├── 1885_scan_receptorSurfPoint00000006.mol2 │ │ ├── 1886_scan_receptorSurfPoint00000006.mol2 │ │ ├── 1887_scan_receptorSurfPoint00000007.mol2 │ │ ├── 1888_scan_receptorSurfPoint00000007.mol2 │ │ ├── 1889_scan_receptorSurfPoint00000008.mol2 │ │ ├── 188_1GCZ_R01_S0001_C0000_L00005_S0001_C0020_G0010_E0001.mol2 │ │ ├── 1890_scan_receptorSurfPoint00000008.mol2 │ │ ├── 1891_scan_receptorSurfPoint00000009.mol2 │ │ ├── 1892_scan_receptorSurfPoint00000009.mol2 │ │ ├── 1893_scan_receptorSurfPoint00000010.mol2 │ │ ├── 1894_scan_receptorSurfPoint00000010.mol2 │ │ ├── 1895_scan_receptorSurfPoint00000011.mol2 │ │ ├── 1896_scan_receptorSurfPoint00000011.mol2 │ │ ├── 1897_scan_receptorSurfPoint00000012.mol2 │ │ ├── 1898_scan_receptorSurfPoint00000012.mol2 │ │ ├── 1899_scan_receptorSurfPoint00000013.mol2 │ │ ├── 189_1GCZ_R01_S0001_C0000_L00005_S0001_C0020_G0010_E0001.mol2 │ │ ├── 18_1GCZ_R01_S0001_C0000_L00002_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1900_scan_receptorSurfPoint00000013.mol2 │ │ ├── 1901_scan_receptorSurfPoint00000014.mol2 │ │ ├── 1902_scan_receptorSurfPoint00000014.mol2 │ │ ├── 1903_scan_receptorSurfPoint00000015.mol2 │ │ ├── 1904_scan_receptorSurfPoint00000015.mol2 │ │ ├── 1905_scan_receptorSurfPoint00000016.mol2 │ │ ├── 1906_scan_receptorSurfPoint00000016.mol2 │ │ ├── 1907_scan_receptorSurfPoint00000017.mol2 │ │ ├── 1908_scan_receptorSurfPoint00000017.mol2 │ │ ├── 1909_scan_receptorSurfPoint00000018.mol2 │ │ ├── 190_1GCZ_R01_S0001_C0000_L00005_S0001_C0021_G0010_E0001.mol2 │ │ ├── 1910_scan_receptorSurfPoint00000018.mol2 │ │ ├── 1911_scan_receptorSurfPoint00000019.mol2 │ │ ├── 1912_scan_receptorSurfPoint00000019.mol2 │ │ ├── 1913_scan_receptorSurfPoint00000020.mol2 │ │ ├── 1914_scan_receptorSurfPoint00000020.mol2 │ │ ├── 1915_scan_receptorSurfPoint00000021.mol2 │ │ ├── 1916_scan_receptorSurfPoint00000021.mol2 │ │ ├── 1917_scan_receptorSurfPoint00000022.mol2 │ │ ├── 1918_scan_receptorSurfPoint00000022.mol2 │ │ ├── 1919_scan_receptorSurfPoint00000023.mol2 │ │ ├── 191_1GCZ_R01_S0001_C0000_L00005_S0001_C0021_G0010_E0001.mol2 │ │ ├── 1920_scan_receptorSurfPoint00000023.mol2 │ │ ├── 1921_scan_receptorSurfPoint00000024.mol2 │ │ ├── 1922_scan_receptorSurfPoint00000024.mol2 │ │ ├── 1923_scan_receptorSurfPoint00000025.mol2 │ │ ├── 1924_scan_receptorSurfPoint00000025.mol2 │ │ ├── 1925_scan_receptorSurfPoint00000026.mol2 │ │ ├── 1926_scan_receptorSurfPoint00000026.mol2 │ │ ├── 1927_scan_receptorSurfPoint00000027.mol2 │ │ ├── 1928_scan_receptorSurfPoint00000027.mol2 │ │ ├── 1929_scan_receptorSurfPoint00000028.mol2 │ │ ├── 192_1GCZ_R01_S0001_C0000_L00005_S0001_C0022_G0010_E0001.mol2 │ │ ├── 1930_scan_receptorSurfPoint00000028.mol2 │ │ ├── 1931_scan_receptorSurfPoint00000029.mol2 │ │ ├── 1932_scan_receptorSurfPoint00000029.mol2 │ │ ├── 1933_scan_receptorSurfPoint00000030.mol2 │ │ ├── 1934_scan_receptorSurfPoint00000030.mol2 │ │ ├── 1935_scan_receptorSurfPoint00000031.mol2 │ │ ├── 1936_scan_receptorSurfPoint00000031.mol2 │ │ ├── 1937_scan_receptorSurfPoint00000032.mol2 │ │ ├── 1938_scan_receptorSurfPoint00000032.mol2 │ │ ├── 1939_scan_receptorSurfPoint00000033.mol2 │ │ ├── 193_1GCZ_R01_S0001_C0000_L00005_S0001_C0022_G0010_E0001.mol2 │ │ ├── 1940_scan_receptorSurfPoint00000033.mol2 │ │ ├── 1941_scan_receptorSurfPoint00000034.mol2 │ │ ├── 1942_scan_receptorSurfPoint00000034.mol2 │ │ ├── 1943_scan_receptorSurfPoint00000035.mol2 │ │ ├── 1944_scan_receptorSurfPoint00000035.mol2 │ │ ├── 1945_scan_receptorSurfPoint00000036.mol2 │ │ ├── 1946_scan_receptorSurfPoint00000036.mol2 │ │ ├── 1947_scan_receptorSurfPoint00000037.mol2 │ │ ├── 1948_scan_receptorSurfPoint00000037.mol2 │ │ ├── 1949_scan_receptorSurfPoint00000038.mol2 │ │ ├── 194_1GCZ_R01_S0001_C0000_L00005_S0001_C0023_G0010_E0001.mol2 │ │ ├── 1950_scan_receptorSurfPoint00000038.mol2 │ │ ├── 1951_scan_receptorSurfPoint00000039.mol2 │ │ ├── 1952_scan_receptorSurfPoint00000039.mol2 │ │ ├── 1953_scan_receptorSurfPoint00000040.mol2 │ │ ├── 1954_scan_receptorSurfPoint00000040.mol2 │ │ ├── 1955_scan_receptorSurfPoint00000041.mol2 │ │ ├── 1956_scan_receptorSurfPoint00000041.mol2 │ │ ├── 1957_scan_receptorSurfPoint00000042.mol2 │ │ ├── 1958_scan_receptorSurfPoint00000042.mol2 │ │ ├── 1959_scan_receptorSurfPoint00000043.mol2 │ │ ├── 195_1GCZ_R01_S0001_C0000_L00005_S0001_C0023_G0010_E0001.mol2 │ │ ├── 1960_scan_receptorSurfPoint00000043.mol2 │ │ ├── 1961_scan_receptorSurfPoint00000044.mol2 │ │ ├── 1962_scan_receptorSurfPoint00000044.mol2 │ │ ├── 1963_scan_receptorSurfPoint00000045.mol2 │ │ ├── 1964_scan_receptorSurfPoint00000045.mol2 │ │ ├── 1965_scan_receptorSurfPoint00000046.mol2 │ │ ├── 1966_scan_receptorSurfPoint00000046.mol2 │ │ ├── 1967_scan_receptorSurfPoint00000047.mol2 │ │ ├── 1968_scan_receptorSurfPoint00000047.mol2 │ │ ├── 1969_scan_receptorSurfPoint00000048.mol2 │ │ ├── 196_1GCZ_R01_S0001_C0000_L00005_S0001_C0024_G0010_E0001.mol2 │ │ ├── 1970_scan_receptorSurfPoint00000048.mol2 │ │ ├── 1971_scan_receptorSurfPoint00000049.mol2 │ │ ├── 1972_scan_receptorSurfPoint00000049.mol2 │ │ ├── 1973_scan_receptorSurfPoint00000050.mol2 │ │ ├── 1974_scan_receptorSurfPoint00000050.mol2 │ │ ├── 1975_scan_receptorSurfPoint00000051.mol2 │ │ ├── 1976_scan_receptorSurfPoint00000051.mol2 │ │ ├── 1977_scan_receptorSurfPoint00000052.mol2 │ │ ├── 1978_scan_receptorSurfPoint00000052.mol2 │ │ ├── 1979_scan_receptorSurfPoint00000053.mol2 │ │ ├── 197_1GCZ_R01_S0001_C0000_L00005_S0001_C0024_G0010_E0001.mol2 │ │ ├── 1980_scan_receptorSurfPoint00000053.mol2 │ │ ├── 1981_scan_receptorSurfPoint00000054.mol2 │ │ ├── 1982_scan_receptorSurfPoint00000054.mol2 │ │ ├── 1983_scan_receptorSurfPoint00000055.mol2 │ │ ├── 1984_scan_receptorSurfPoint00000055.mol2 │ │ ├── 1985_scan_receptorSurfPoint00000056.mol2 │ │ ├── 1986_scan_receptorSurfPoint00000056.mol2 │ │ ├── 1987_scan_receptorSurfPoint00000057.mol2 │ │ ├── 1988_scan_receptorSurfPoint00000057.mol2 │ │ ├── 1989_scan_receptorSurfPoint00000058.mol2 │ │ ├── 198_1GCZ_R01_S0001_C0000_L00005_S0001_C0025_G0010_E0001.mol2 │ │ ├── 1990_scan_receptorSurfPoint00000058.mol2 │ │ ├── 1991_scan_receptorSurfPoint00000059.mol2 │ │ ├── 1992_scan_receptorSurfPoint00000059.mol2 │ │ ├── 1993_scan_receptorSurfPoint00000060.mol2 │ │ ├── 1994_scan_receptorSurfPoint00000060.mol2 │ │ ├── 1995_scan_receptorSurfPoint00000061.mol2 │ │ ├── 1996_scan_receptorSurfPoint00000061.mol2 │ │ ├── 1997_scan_receptorSurfPoint00000062.mol2 │ │ ├── 1998_scan_receptorSurfPoint00000062.mol2 │ │ ├── 1999_scan_receptorSurfPoint00000063.mol2 │ │ ├── 199_1GCZ_R01_S0001_C0000_L00005_S0001_C0025_G0010_E0001.mol2 │ │ ├── 19_1GCZ_R01_S0001_C0000_L00002_S0001_C0006_G0010_E0001.mol2 │ │ ├── 1_1GCZ_R01_S0001_C0000_L00001_S0001_C0000_G0010_E0001.mol2 │ │ ├── 2000_scan_receptorSurfPoint00000063.mol2 │ │ ├── 2001_scan_receptorSurfPoint00000064.mol2 │ │ ├── 2002_scan_receptorSurfPoint00000064.mol2 │ │ ├── 2003_scan_receptorSurfPoint00000065.mol2 │ │ ├── 2004_scan_receptorSurfPoint00000065.mol2 │ │ ├── 2005_scan_receptorSurfPoint00000066.mol2 │ │ ├── 2006_scan_receptorSurfPoint00000066.mol2 │ │ ├── 2007_scan_receptorSurfPoint00000067.mol2 │ │ ├── 2008_scan_receptorSurfPoint00000067.mol2 │ │ ├── 2009_scan_receptorSurfPoint00000068.mol2 │ │ ├── 200_1GCZ_R01_S0001_C0000_L00005_S0001_C0026_G0010_E0001.mol2 │ │ ├── 2010_scan_receptorSurfPoint00000068.mol2 │ │ ├── 2011_scan_receptorSurfPoint00000069.mol2 │ │ ├── 2012_scan_receptorSurfPoint00000069.mol2 │ │ ├── 2013_scan_receptorSurfPoint00000070.mol2 │ │ ├── 2014_scan_receptorSurfPoint00000070.mol2 │ │ ├── 2015_scan_receptorSurfPoint00000071.mol2 │ │ ├── 2016_scan_receptorSurfPoint00000071.mol2 │ │ ├── 2017_scan_receptorSurfPoint00000072.mol2 │ │ ├── 2018_scan_receptorSurfPoint00000072.mol2 │ │ ├── 2019_scan_receptorSurfPoint00000073.mol2 │ │ ├── 201_1GCZ_R01_S0001_C0000_L00005_S0001_C0026_G0010_E0001.mol2 │ │ ├── 2020_scan_receptorSurfPoint00000073.mol2 │ │ ├── 2021_scan_receptorSurfPoint00000074.mol2 │ │ ├── 2022_scan_receptorSurfPoint00000074.mol2 │ │ ├── 2023_scan_receptorSurfPoint00000075.mol2 │ │ ├── 2024_scan_receptorSurfPoint00000075.mol2 │ │ ├── 2025_scan_receptorSurfPoint00000076.mol2 │ │ ├── 2026_scan_receptorSurfPoint00000076.mol2 │ │ ├── 2027_scan_receptorSurfPoint00000077.mol2 │ │ ├── 2028_scan_receptorSurfPoint00000077.mol2 │ │ ├── 2029_scan_receptorSurfPoint00000078.mol2 │ │ ├── 202_1GCZ_R01_S0001_C0000_L00005_S0001_C0027_G0010_E0001.mol2 │ │ ├── 2030_scan_receptorSurfPoint00000078.mol2 │ │ ├── 2031_scan_receptorSurfPoint00000079.mol2 │ │ ├── 2032_scan_receptorSurfPoint00000079.mol2 │ │ ├── 2033_scan_receptorSurfPoint00000080.mol2 │ │ ├── 2034_scan_receptorSurfPoint00000080.mol2 │ │ ├── 2035_scan_receptorSurfPoint00000081.mol2 │ │ ├── 2036_scan_receptorSurfPoint00000081.mol2 │ │ ├── 2037_scan_receptorSurfPoint00000082.mol2 │ │ ├── 2038_scan_receptorSurfPoint00000082.mol2 │ │ ├── 2039_scan_receptorSurfPoint00000083.mol2 │ │ ├── 203_1GCZ_R01_S0001_C0000_L00005_S0001_C0027_G0010_E0001.mol2 │ │ ├── 2040_scan_receptorSurfPoint00000083.mol2 │ │ ├── 2041_scan_receptorSurfPoint00000084.mol2 │ │ ├── 2042_scan_receptorSurfPoint00000084.mol2 │ │ ├── 2043_scan_receptorSurfPoint00000085.mol2 │ │ ├── 2044_scan_receptorSurfPoint00000085.mol2 │ │ ├── 2045_scan_receptorSurfPoint00000086.mol2 │ │ ├── 2046_scan_receptorSurfPoint00000086.mol2 │ │ ├── 2047_scan_receptorSurfPoint00000087.mol2 │ │ ├── 2048_scan_receptorSurfPoint00000087.mol2 │ │ ├── 2049_scan_receptorSurfPoint00000088.mol2 │ │ ├── 204_1GCZ_R01_S0001_C0000_L00005_S0001_C0028_G0010_E0001.mol2 │ │ ├── 2050_scan_receptorSurfPoint00000088.mol2 │ │ ├── 2051_scan_receptorSurfPoint00000089.mol2 │ │ ├── 2052_scan_receptorSurfPoint00000089.mol2 │ │ ├── 2053_scan_receptorSurfPoint00000090.mol2 │ │ ├── 2054_scan_receptorSurfPoint00000090.mol2 │ │ ├── 2055_scan_receptorSurfPoint00000091.mol2 │ │ ├── 2056_scan_receptorSurfPoint00000091.mol2 │ │ ├── 2057_scan_receptorSurfPoint00000092.mol2 │ │ ├── 2058_scan_receptorSurfPoint00000092.mol2 │ │ ├── 2059_scan_receptorSurfPoint00000093.mol2 │ │ ├── 205_1GCZ_R01_S0001_C0000_L00005_S0001_C0028_G0010_E0001.mol2 │ │ ├── 2060_scan_receptorSurfPoint00000093.mol2 │ │ ├── 2061_scan_receptorSurfPoint00000094.mol2 │ │ ├── 2062_scan_receptorSurfPoint00000094.mol2 │ │ ├── 2063_scan_receptorSurfPoint00000095.mol2 │ │ ├── 2064_scan_receptorSurfPoint00000095.mol2 │ │ ├── 2065_scan_receptorSurfPoint00000096.mol2 │ │ ├── 2066_scan_receptorSurfPoint00000096.mol2 │ │ ├── 2067_scan_receptorSurfPoint00000097.mol2 │ │ ├── 2068_scan_receptorSurfPoint00000097.mol2 │ │ ├── 2069_scan_receptorSurfPoint00000098.mol2 │ │ ├── 206_1GCZ_R01_S0001_C0000_L00005_S0001_C0029_G0010_E0001.mol2 │ │ ├── 2070_scan_receptorSurfPoint00000098.mol2 │ │ ├── 2071_scan_receptorSurfPoint00000099.mol2 │ │ ├── 2072_scan_receptorSurfPoint00000099.mol2 │ │ ├── 2073_scan_receptorSurfPoint00000100.mol2 │ │ ├── 2074_scan_receptorSurfPoint00000100.mol2 │ │ ├── 207_1GCZ_R01_S0001_C0000_L00005_S0001_C0029_G0010_E0001.mol2 │ │ ├── 208_1GCZ_R01_S0001_C0000_L00005_S0001_C0030_G0010_E0001.mol2 │ │ ├── 209_1GCZ_R01_S0001_C0000_L00005_S0001_C0030_G0010_E0001.mol2 │ │ ├── 20_1GCZ_R01_S0001_C0000_L00002_S0001_C0007_G0010_E0001.mol2 │ │ ├── 210_1GCZ_R01_S0001_C0000_L00005_S0001_C0031_G0010_E0001.mol2 │ │ ├── 211_1GCZ_R01_S0001_C0000_L00005_S0001_C0031_G0010_E0001.mol2 │ │ ├── 212_1GCZ_R01_S0001_C0000_L00005_S0001_C0032_G0010_E0001.mol2 │ │ ├── 213_1GCZ_R01_S0001_C0000_L00005_S0001_C0032_G0010_E0001.mol2 │ │ ├── 214_1GCZ_R01_S0001_C0000_L00005_S0001_C0033_G0010_E0001.mol2 │ │ ├── 215_1GCZ_R01_S0001_C0000_L00005_S0001_C0033_G0010_E0001.mol2 │ │ ├── 216_1GCZ_R01_S0001_C0000_L00005_S0001_C0034_G0010_E0001.mol2 │ │ ├── 217_1GCZ_R01_S0001_C0000_L00005_S0001_C0034_G0010_E0001.mol2 │ │ ├── 218_1GCZ_R01_S0001_C0000_L00005_S0001_C0035_G0010_E0001.mol2 │ │ ├── 219_1GCZ_R01_S0001_C0000_L00005_S0001_C0035_G0010_E0001.mol2 │ │ ├── 21_1GCZ_R01_S0001_C0000_L00002_S0001_C0007_G0010_E0001.mol2 │ │ ├── 220_1GCZ_R01_S0001_C0000_L00005_S0001_C0036_G0010_E0001.mol2 │ │ ├── 221_1GCZ_R01_S0001_C0000_L00005_S0001_C0036_G0010_E0001.mol2 │ │ ├── 222_1GCZ_R01_S0001_C0000_L00005_S0001_C0037_G0010_E0001.mol2 │ │ ├── 223_1GCZ_R01_S0001_C0000_L00005_S0001_C0037_G0010_E0001.mol2 │ │ ├── 224_1GCZ_R01_S0001_C0000_L00005_S0001_C0038_G0010_E0001.mol2 │ │ ├── 225_1GCZ_R01_S0001_C0000_L00005_S0001_C0038_G0010_E0001.mol2 │ │ ├── 226_1GCZ_R01_S0001_C0000_L00005_S0001_C0039_G0010_E0001.mol2 │ │ ├── 227_1GCZ_R01_S0001_C0000_L00005_S0001_C0039_G0010_E0001.mol2 │ │ ├── 228_1GCZ_R01_S0001_C0000_L00005_S0001_C0040_G0010_E0001.mol2 │ │ ├── 229_1GCZ_R01_S0001_C0000_L00005_S0001_C0040_G0010_E0001.mol2 │ │ ├── 22_1GCZ_R01_S0001_C0000_L00002_S0001_C0008_G0010_E0001.mol2 │ │ ├── 230_1GCZ_R01_S0001_C0000_L00005_S0001_C0041_G0010_E0001.mol2 │ │ ├── 231_1GCZ_R01_S0001_C0000_L00005_S0001_C0041_G0010_E0001.mol2 │ │ ├── 232_1GCZ_R01_S0001_C0000_L00005_S0001_C0042_G0010_E0001.mol2 │ │ ├── 233_1GCZ_R01_S0001_C0000_L00005_S0001_C0042_G0010_E0001.mol2 │ │ ├── 234_1GCZ_R01_S0001_C0000_L00005_S0001_C0043_G0010_E0001.mol2 │ │ ├── 235_1GCZ_R01_S0001_C0000_L00005_S0001_C0043_G0010_E0001.mol2 │ │ ├── 236_1GCZ_R01_S0001_C0000_L00005_S0001_C0044_G0010_E0001.mol2 │ │ ├── 237_1GCZ_R01_S0001_C0000_L00005_S0001_C0044_G0010_E0001.mol2 │ │ ├── 238_1GCZ_R01_S0001_C0000_L00005_S0001_C0045_G0010_E0001.mol2 │ │ ├── 239_1GCZ_R01_S0001_C0000_L00005_S0001_C0045_G0010_E0001.mol2 │ │ ├── 23_1GCZ_R01_S0001_C0000_L00002_S0001_C0008_G0010_E0001.mol2 │ │ ├── 240_1GCZ_R01_S0001_C0000_L00005_S0001_C0046_G0010_E0001.mol2 │ │ ├── 241_1GCZ_R01_S0001_C0000_L00005_S0001_C0046_G0010_E0001.mol2 │ │ ├── 242_1GCZ_R01_S0001_C0000_L00005_S0001_C0047_G0010_E0001.mol2 │ │ ├── 243_1GCZ_R01_S0001_C0000_L00005_S0001_C0047_G0010_E0001.mol2 │ │ ├── 244_1GCZ_R01_S0001_C0000_L00005_S0001_C0048_G0010_E0001.mol2 │ │ ├── 245_1GCZ_R01_S0001_C0000_L00005_S0001_C0048_G0010_E0001.mol2 │ │ ├── 246_1GCZ_R01_S0001_C0000_L00005_S0001_C0049_G0010_E0001.mol2 │ │ ├── 247_1GCZ_R01_S0001_C0000_L00005_S0001_C0049_G0010_E0001.mol2 │ │ ├── 248_1GCZ_R01_S0001_C0000_L00005_S0001_C0050_G0010_E0001.mol2 │ │ ├── 249_1GCZ_R01_S0001_C0000_L00005_S0001_C0050_G0010_E0001.mol2 │ │ ├── 24_1GCZ_R01_S0001_C0000_L00003_S0001_C0000_G0010_E0001.mol2 │ │ ├── 250_1GCZ_R01_S0001_C0000_L00006_S0001_C0000_G0010_E0001.mol2 │ │ ├── 251_1GCZ_R01_S0001_C0000_L00006_S0001_C0000_G0010_E0001.mol2 │ │ ├── 252_1GCZ_R01_S0001_C0000_L00006_S0001_C0001_G0010_E0001.mol2 │ │ ├── 253_1GCZ_R01_S0001_C0000_L00006_S0001_C0001_G0010_E0001.mol2 │ │ ├── 254_1GCZ_R01_S0001_C0000_L00006_S0001_C0002_G0010_E0001.mol2 │ │ ├── 255_1GCZ_R01_S0001_C0000_L00006_S0001_C0002_G0010_E0001.mol2 │ │ ├── 256_1GCZ_R01_S0001_C0000_L00006_S0001_C0003_G0010_E0001.mol2 │ │ ├── 257_1GCZ_R01_S0001_C0000_L00006_S0001_C0003_G0010_E0001.mol2 │ │ ├── 258_1GCZ_R01_S0001_C0000_L00006_S0001_C0004_G0010_E0001.mol2 │ │ ├── 259_1GCZ_R01_S0001_C0000_L00006_S0001_C0004_G0010_E0001.mol2 │ │ ├── 25_1GCZ_R01_S0001_C0000_L00003_S0001_C0000_G0010_E0001.mol2 │ │ ├── 260_1GCZ_R01_S0001_C0000_L00006_S0001_C0005_G0010_E0001.mol2 │ │ ├── 261_1GCZ_R01_S0001_C0000_L00006_S0001_C0005_G0010_E0001.mol2 │ │ ├── 262_1GCZ_R01_S0001_C0000_L00006_S0001_C0006_G0010_E0001.mol2 │ │ ├── 263_1GCZ_R01_S0001_C0000_L00006_S0001_C0006_G0010_E0001.mol2 │ │ ├── 264_1GCZ_R01_S0001_C0000_L00006_S0001_C0007_G0010_E0001.mol2 │ │ ├── 265_1GCZ_R01_S0001_C0000_L00006_S0001_C0007_G0010_E0001.mol2 │ │ ├── 266_1GCZ_R01_S0001_C0000_L00006_S0001_C0008_G0010_E0001.mol2 │ │ ├── 267_1GCZ_R01_S0001_C0000_L00006_S0001_C0008_G0010_E0001.mol2 │ │ ├── 268_1GCZ_R01_S0001_C0000_L00006_S0001_C0009_G0010_E0001.mol2 │ │ ├── 269_1GCZ_R01_S0001_C0000_L00006_S0001_C0009_G0010_E0001.mol2 │ │ ├── 26_1GCZ_R01_S0001_C0000_L00003_S0001_C0001_G0010_E0001.mol2 │ │ ├── 270_1GCZ_R01_S0001_C0000_L00006_S0001_C0010_G0010_E0001.mol2 │ │ ├── 271_1GCZ_R01_S0001_C0000_L00006_S0001_C0010_G0010_E0001.mol2 │ │ ├── 272_1GCZ_R01_S0001_C0000_L00006_S0001_C0011_G0010_E0001.mol2 │ │ ├── 273_1GCZ_R01_S0001_C0000_L00006_S0001_C0011_G0010_E0001.mol2 │ │ ├── 274_1GCZ_R01_S0001_C0000_L00006_S0001_C0012_G0010_E0001.mol2 │ │ ├── 275_1GCZ_R01_S0001_C0000_L00006_S0001_C0012_G0010_E0001.mol2 │ │ ├── 276_1GCZ_R01_S0001_C0000_L00007_S0001_C0000_G0010_E0001.mol2 │ │ ├── 277_1GCZ_R01_S0001_C0000_L00007_S0001_C0000_G0010_E0001.mol2 │ │ ├── 278_1GCZ_R01_S0001_C0000_L00007_S0001_C0001_G0010_E0001.mol2 │ │ ├── 279_1GCZ_R01_S0001_C0000_L00007_S0001_C0001_G0010_E0001.mol2 │ │ ├── 27_1GCZ_R01_S0001_C0000_L00003_S0001_C0001_G0010_E0001.mol2 │ │ ├── 280_1GCZ_R01_S0001_C0000_L00007_S0001_C0002_G0010_E0001.mol2 │ │ ├── 281_1GCZ_R01_S0001_C0000_L00007_S0001_C0002_G0010_E0001.mol2 │ │ ├── 282_1GCZ_R01_S0001_C0000_L00007_S0001_C0003_G0010_E0001.mol2 │ │ ├── 283_1GCZ_R01_S0001_C0000_L00007_S0001_C0003_G0010_E0001.mol2 │ │ ├── 284_1GCZ_R01_S0001_C0000_L00007_S0001_C0004_G0010_E0001.mol2 │ │ ├── 285_1GCZ_R01_S0001_C0000_L00007_S0001_C0004_G0010_E0001.mol2 │ │ ├── 286_1GCZ_R01_S0001_C0000_L00007_S0001_C0005_G0010_E0001.mol2 │ │ ├── 287_1GCZ_R01_S0001_C0000_L00007_S0001_C0005_G0010_E0001.mol2 │ │ ├── 288_1GCZ_R01_S0001_C0000_L00007_S0001_C0006_G0010_E0001.mol2 │ │ ├── 289_1GCZ_R01_S0001_C0000_L00007_S0001_C0006_G0010_E0001.mol2 │ │ ├── 28_1GCZ_R01_S0001_C0000_L00003_S0001_C0002_G0010_E0001.mol2 │ │ ├── 290_1GCZ_R01_S0001_C0000_L00007_S0001_C0007_G0010_E0001.mol2 │ │ ├── 291_1GCZ_R01_S0001_C0000_L00007_S0001_C0007_G0010_E0001.mol2 │ │ ├── 292_1GCZ_R01_S0001_C0000_L00007_S0001_C0008_G0010_E0001.mol2 │ │ ├── 293_1GCZ_R01_S0001_C0000_L00007_S0001_C0008_G0010_E0001.mol2 │ │ ├── 294_1GCZ_R01_S0001_C0000_L00007_S0001_C0009_G0010_E0001.mol2 │ │ ├── 295_1GCZ_R01_S0001_C0000_L00007_S0001_C0009_G0010_E0001.mol2 │ │ ├── 296_1GCZ_R01_S0001_C0000_L00007_S0001_C0010_G0010_E0001.mol2 │ │ ├── 297_1GCZ_R01_S0001_C0000_L00007_S0001_C0010_G0010_E0001.mol2 │ │ ├── 298_1GCZ_R01_S0001_C0000_L00007_S0001_C0011_G0010_E0001.mol2 │ │ ├── 299_1GCZ_R01_S0001_C0000_L00007_S0001_C0011_G0010_E0001.mol2 │ │ ├── 29_1GCZ_R01_S0001_C0000_L00003_S0001_C0002_G0010_E0001.mol2 │ │ ├── 2_1GCZ_R01_S0001_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 300_1GCZ_R01_S0001_C0000_L00007_S0001_C0012_G0010_E0001.mol2 │ │ ├── 301_1GCZ_R01_S0001_C0000_L00007_S0001_C0012_G0010_E0001.mol2 │ │ ├── 302_1GCZ_R01_S0001_C0000_L00007_S0001_C0013_G0010_E0001.mol2 │ │ ├── 303_1GCZ_R01_S0001_C0000_L00007_S0001_C0013_G0010_E0001.mol2 │ │ ├── 304_1GCZ_R01_S0001_C0000_L00007_S0001_C0014_G0010_E0001.mol2 │ │ ├── 305_1GCZ_R01_S0001_C0000_L00007_S0001_C0014_G0010_E0001.mol2 │ │ ├── 306_1GCZ_R01_S0001_C0000_L00007_S0001_C0015_G0010_E0001.mol2 │ │ ├── 307_1GCZ_R01_S0001_C0000_L00007_S0001_C0015_G0010_E0001.mol2 │ │ ├── 308_1GCZ_R01_S0001_C0000_L00007_S0001_C0016_G0010_E0001.mol2 │ │ ├── 309_1GCZ_R01_S0001_C0000_L00007_S0001_C0016_G0010_E0001.mol2 │ │ ├── 30_1GCZ_R01_S0001_C0000_L00003_S0001_C0003_G0010_E0001.mol2 │ │ ├── 310_1GCZ_R01_S0001_C0000_L00007_S0001_C0017_G0010_E0001.mol2 │ │ ├── 311_1GCZ_R01_S0001_C0000_L00007_S0001_C0017_G0010_E0001.mol2 │ │ ├── 312_1GCZ_R01_S0001_C0000_L00007_S0001_C0018_G0010_E0001.mol2 │ │ ├── 313_1GCZ_R01_S0001_C0000_L00007_S0001_C0018_G0010_E0001.mol2 │ │ ├── 314_1GCZ_R01_S0001_C0000_L00007_S0001_C0019_G0010_E0001.mol2 │ │ ├── 315_1GCZ_R01_S0001_C0000_L00007_S0001_C0019_G0010_E0001.mol2 │ │ ├── 316_1GCZ_R01_S0001_C0000_L00007_S0001_C0020_G0010_E0001.mol2 │ │ ├── 317_1GCZ_R01_S0001_C0000_L00007_S0001_C0020_G0010_E0001.mol2 │ │ ├── 318_1GCZ_R01_S0001_C0000_L00007_S0001_C0021_G0010_E0001.mol2 │ │ ├── 319_1GCZ_R01_S0001_C0000_L00007_S0001_C0021_G0010_E0001.mol2 │ │ ├── 31_1GCZ_R01_S0001_C0000_L00003_S0001_C0003_G0010_E0001.mol2 │ │ ├── 320_1GCZ_R01_S0001_C0000_L00007_S0001_C0022_G0010_E0001.mol2 │ │ ├── 321_1GCZ_R01_S0001_C0000_L00007_S0001_C0022_G0010_E0001.mol2 │ │ ├── 322_1GCZ_R01_S0001_C0000_L00007_S0001_C0023_G0010_E0001.mol2 │ │ ├── 323_1GCZ_R01_S0001_C0000_L00007_S0001_C0023_G0010_E0001.mol2 │ │ ├── 324_1GCZ_R01_S0001_C0000_L00007_S0001_C0024_G0010_E0001.mol2 │ │ ├── 325_1GCZ_R01_S0001_C0000_L00007_S0001_C0024_G0010_E0001.mol2 │ │ ├── 326_1GCZ_R01_S0001_C0000_L00007_S0001_C0025_G0010_E0001.mol2 │ │ ├── 327_1GCZ_R01_S0001_C0000_L00007_S0001_C0025_G0010_E0001.mol2 │ │ ├── 328_1GCZ_R01_S0001_C0000_L00007_S0001_C0026_G0010_E0001.mol2 │ │ ├── 329_1GCZ_R01_S0001_C0000_L00007_S0001_C0026_G0010_E0001.mol2 │ │ ├── 32_1GCZ_R01_S0001_C0000_L00003_S0001_C0004_G0010_E0001.mol2 │ │ ├── 330_1GCZ_R01_S0001_C0000_L00007_S0001_C0027_G0010_E0001.mol2 │ │ ├── 331_1GCZ_R01_S0001_C0000_L00007_S0001_C0027_G0010_E0001.mol2 │ │ ├── 332_1GCZ_R01_S0001_C0000_L00007_S0001_C0028_G0010_E0001.mol2 │ │ ├── 333_1GCZ_R01_S0001_C0000_L00007_S0001_C0028_G0010_E0001.mol2 │ │ ├── 334_1GCZ_R01_S0001_C0000_L00007_S0001_C0029_G0010_E0001.mol2 │ │ ├── 335_1GCZ_R01_S0001_C0000_L00007_S0001_C0029_G0010_E0001.mol2 │ │ ├── 336_1GCZ_R01_S0001_C0000_L00007_S0001_C0030_G0010_E0001.mol2 │ │ ├── 337_1GCZ_R01_S0001_C0000_L00007_S0001_C0030_G0010_E0001.mol2 │ │ ├── 338_1GCZ_R01_S0001_C0000_L00007_S0001_C0031_G0010_E0001.mol2 │ │ ├── 339_1GCZ_R01_S0001_C0000_L00007_S0001_C0031_G0010_E0001.mol2 │ │ ├── 33_1GCZ_R01_S0001_C0000_L00003_S0001_C0004_G0010_E0001.mol2 │ │ ├── 340_1GCZ_R01_S0001_C0000_L00007_S0001_C0032_G0010_E0001.mol2 │ │ ├── 341_1GCZ_R01_S0001_C0000_L00007_S0001_C0032_G0010_E0001.mol2 │ │ ├── 342_1GCZ_R01_S0001_C0000_L00007_S0001_C0033_G0010_E0001.mol2 │ │ ├── 343_1GCZ_R01_S0001_C0000_L00007_S0001_C0033_G0010_E0001.mol2 │ │ ├── 344_1GCZ_R01_S0001_C0000_L00007_S0001_C0034_G0010_E0001.mol2 │ │ ├── 345_1GCZ_R01_S0001_C0000_L00007_S0001_C0034_G0010_E0001.mol2 │ │ ├── 346_1GCZ_R01_S0001_C0000_L00007_S0001_C0035_G0010_E0001.mol2 │ │ ├── 347_1GCZ_R01_S0001_C0000_L00007_S0001_C0035_G0010_E0001.mol2 │ │ ├── 348_1GCZ_R01_S0001_C0000_L00007_S0001_C0036_G0010_E0001.mol2 │ │ ├── 349_1GCZ_R01_S0001_C0000_L00007_S0001_C0036_G0010_E0001.mol2 │ │ ├── 34_1GCZ_R01_S0001_C0000_L00003_S0001_C0005_G0010_E0001.mol2 │ │ ├── 350_1GCZ_R01_S0001_C0000_L00007_S0001_C0037_G0010_E0001.mol2 │ │ ├── 351_1GCZ_R01_S0001_C0000_L00007_S0001_C0037_G0010_E0001.mol2 │ │ ├── 352_1GCZ_R01_S0001_C0000_L00007_S0001_C0038_G0010_E0001.mol2 │ │ ├── 353_1GCZ_R01_S0001_C0000_L00007_S0001_C0038_G0010_E0001.mol2 │ │ ├── 354_1GCZ_R01_S0001_C0000_L00007_S0001_C0039_G0010_E0001.mol2 │ │ ├── 355_1GCZ_R01_S0001_C0000_L00007_S0001_C0039_G0010_E0001.mol2 │ │ ├── 356_1GCZ_R01_S0001_C0000_L00007_S0001_C0040_G0010_E0001.mol2 │ │ ├── 357_1GCZ_R01_S0001_C0000_L00007_S0001_C0040_G0010_E0001.mol2 │ │ ├── 358_1GCZ_R01_S0001_C0000_L00007_S0001_C0041_G0010_E0001.mol2 │ │ ├── 359_1GCZ_R01_S0001_C0000_L00007_S0001_C0041_G0010_E0001.mol2 │ │ ├── 35_1GCZ_R01_S0001_C0000_L00003_S0001_C0005_G0010_E0001.mol2 │ │ ├── 360_1GCZ_R01_S0001_C0000_L00007_S0001_C0042_G0010_E0001.mol2 │ │ ├── 361_1GCZ_R01_S0001_C0000_L00007_S0001_C0042_G0010_E0001.mol2 │ │ ├── 362_1GCZ_R01_S0001_C0000_L00007_S0001_C0043_G0010_E0001.mol2 │ │ ├── 363_1GCZ_R01_S0001_C0000_L00007_S0001_C0043_G0010_E0001.mol2 │ │ ├── 364_1GCZ_R01_S0001_C0000_L00007_S0001_C0044_G0010_E0001.mol2 │ │ ├── 365_1GCZ_R01_S0001_C0000_L00007_S0001_C0044_G0010_E0001.mol2 │ │ ├── 366_1GCZ_R01_S0001_C0000_L00007_S0001_C0045_G0010_E0001.mol2 │ │ ├── 367_1GCZ_R01_S0001_C0000_L00007_S0001_C0045_G0010_E0001.mol2 │ │ ├── 368_1GCZ_R01_S0001_C0000_L00007_S0001_C0046_G0010_E0001.mol2 │ │ ├── 369_1GCZ_R01_S0001_C0000_L00007_S0001_C0046_G0010_E0001.mol2 │ │ ├── 36_1GCZ_R01_S0001_C0000_L00003_S0001_C0006_G0010_E0001.mol2 │ │ ├── 370_1GCZ_R01_S0001_C0000_L00007_S0001_C0047_G0010_E0001.mol2 │ │ ├── 371_1GCZ_R01_S0001_C0000_L00007_S0001_C0047_G0010_E0001.mol2 │ │ ├── 372_1GCZ_R01_S0001_C0000_L00007_S0001_C0048_G0010_E0001.mol2 │ │ ├── 373_1GCZ_R01_S0001_C0000_L00007_S0001_C0048_G0010_E0001.mol2 │ │ ├── 374_1GCZ_R01_S0001_C0000_L00007_S0001_C0049_G0010_E0001.mol2 │ │ ├── 375_1GCZ_R01_S0001_C0000_L00007_S0001_C0049_G0010_E0001.mol2 │ │ ├── 376_1GCZ_R01_S0001_C0000_L00007_S0001_C0050_G0010_E0001.mol2 │ │ ├── 377_1GCZ_R01_S0001_C0000_L00007_S0001_C0050_G0010_E0001.mol2 │ │ ├── 378_1GCZ_R01_S0001_C0000_L00008_S0001_C0000_G0010_E0001.mol2 │ │ ├── 379_1GCZ_R01_S0001_C0000_L00008_S0001_C0000_G0010_E0001.mol2 │ │ ├── 37_1GCZ_R01_S0001_C0000_L00003_S0001_C0006_G0010_E0001.mol2 │ │ ├── 380_1GCZ_R01_S0001_C0000_L00008_S0001_C0001_G0010_E0001.mol2 │ │ ├── 381_1GCZ_R01_S0001_C0000_L00008_S0001_C0001_G0010_E0001.mol2 │ │ ├── 382_1GCZ_R01_S0001_C0000_L00008_S0001_C0002_G0010_E0001.mol2 │ │ ├── 383_1GCZ_R01_S0001_C0000_L00008_S0001_C0002_G0010_E0001.mol2 │ │ ├── 384_1GCZ_R01_S0001_C0000_L00008_S0001_C0003_G0010_E0001.mol2 │ │ ├── 385_1GCZ_R01_S0001_C0000_L00008_S0001_C0003_G0010_E0001.mol2 │ │ ├── 386_1GCZ_R01_S0001_C0000_L00008_S0001_C0004_G0010_E0001.mol2 │ │ ├── 387_1GCZ_R01_S0001_C0000_L00008_S0001_C0004_G0010_E0001.mol2 │ │ ├── 388_1GCZ_R01_S0001_C0000_L00008_S0001_C0005_G0010_E0001.mol2 │ │ ├── 389_1GCZ_R01_S0001_C0000_L00008_S0001_C0005_G0010_E0001.mol2 │ │ ├── 38_1GCZ_R01_S0001_C0000_L00003_S0001_C0007_G0010_E0001.mol2 │ │ ├── 390_1GCZ_R01_S0001_C0000_L00008_S0001_C0006_G0010_E0001.mol2 │ │ ├── 391_1GCZ_R01_S0001_C0000_L00008_S0001_C0006_G0010_E0001.mol2 │ │ ├── 392_1GCZ_R01_S0001_C0000_L00008_S0001_C0007_G0010_E0001.mol2 │ │ ├── 393_1GCZ_R01_S0001_C0000_L00008_S0001_C0007_G0010_E0001.mol2 │ │ ├── 394_1GCZ_R01_S0001_C0000_L00008_S0001_C0008_G0010_E0001.mol2 │ │ ├── 395_1GCZ_R01_S0001_C0000_L00008_S0001_C0008_G0010_E0001.mol2 │ │ ├── 396_1GCZ_R01_S0001_C0000_L00008_S0001_C0009_G0010_E0001.mol2 │ │ ├── 397_1GCZ_R01_S0001_C0000_L00008_S0001_C0009_G0010_E0001.mol2 │ │ ├── 398_1GCZ_R01_S0001_C0000_L00008_S0001_C0010_G0010_E0001.mol2 │ │ ├── 399_1GCZ_R01_S0001_C0000_L00008_S0001_C0010_G0010_E0001.mol2 │ │ ├── 39_1GCZ_R01_S0001_C0000_L00003_S0001_C0007_G0010_E0001.mol2 │ │ ├── 3_1GCZ_R01_S0001_C0000_L00001_S0001_C0002_G0010_E0001.mol2 │ │ ├── 400_1GCZ_R01_S0001_C0000_L00008_S0001_C0011_G0010_E0001.mol2 │ │ ├── 401_1GCZ_R01_S0001_C0000_L00008_S0001_C0011_G0010_E0001.mol2 │ │ ├── 402_1GCZ_R01_S0001_C0000_L00008_S0001_C0012_G0010_E0001.mol2 │ │ ├── 403_1GCZ_R01_S0001_C0000_L00008_S0001_C0012_G0010_E0001.mol2 │ │ ├── 404_1GCZ_R01_S0001_C0000_L00008_S0001_C0013_G0010_E0001.mol2 │ │ ├── 405_1GCZ_R01_S0001_C0000_L00008_S0001_C0013_G0010_E0001.mol2 │ │ ├── 406_1GCZ_R01_S0001_C0000_L00008_S0001_C0014_G0010_E0001.mol2 │ │ ├── 407_1GCZ_R01_S0001_C0000_L00008_S0001_C0014_G0010_E0001.mol2 │ │ ├── 408_1GCZ_R01_S0001_C0000_L00008_S0001_C0015_G0010_E0001.mol2 │ │ ├── 409_1GCZ_R01_S0001_C0000_L00008_S0001_C0015_G0010_E0001.mol2 │ │ ├── 40_1GCZ_R01_S0001_C0000_L00003_S0001_C0008_G0010_E0001.mol2 │ │ ├── 410_1GCZ_R01_S0001_C0000_L00008_S0001_C0016_G0010_E0001.mol2 │ │ ├── 411_1GCZ_R01_S0001_C0000_L00008_S0001_C0016_G0010_E0001.mol2 │ │ ├── 412_1GCZ_R01_S0001_C0000_L00008_S0001_C0017_G0010_E0001.mol2 │ │ ├── 413_1GCZ_R01_S0001_C0000_L00008_S0001_C0017_G0010_E0001.mol2 │ │ ├── 414_1GCZ_R01_S0001_C0000_L00008_S0001_C0018_G0010_E0001.mol2 │ │ ├── 415_1GCZ_R01_S0001_C0000_L00008_S0001_C0018_G0010_E0001.mol2 │ │ ├── 416_1GCZ_R01_S0001_C0000_L00008_S0001_C0019_G0010_E0001.mol2 │ │ ├── 417_1GCZ_R01_S0001_C0000_L00008_S0001_C0019_G0010_E0001.mol2 │ │ ├── 418_1GCZ_R01_S0001_C0000_L00008_S0001_C0020_G0010_E0001.mol2 │ │ ├── 419_1GCZ_R01_S0001_C0000_L00008_S0001_C0020_G0010_E0001.mol2 │ │ ├── 41_1GCZ_R01_S0001_C0000_L00003_S0001_C0008_G0010_E0001.mol2 │ │ ├── 420_1GCZ_R01_S0001_C0000_L00008_S0001_C0021_G0010_E0001.mol2 │ │ ├── 421_1GCZ_R01_S0001_C0000_L00008_S0001_C0021_G0010_E0001.mol2 │ │ ├── 422_1GCZ_R01_S0001_C0000_L00008_S0001_C0022_G0010_E0001.mol2 │ │ ├── 423_1GCZ_R01_S0001_C0000_L00008_S0001_C0022_G0010_E0001.mol2 │ │ ├── 424_1GCZ_R01_S0001_C0000_L00008_S0001_C0023_G0010_E0001.mol2 │ │ ├── 425_1GCZ_R01_S0001_C0000_L00008_S0001_C0023_G0010_E0001.mol2 │ │ ├── 426_1GCZ_R01_S0001_C0000_L00008_S0001_C0024_G0010_E0001.mol2 │ │ ├── 427_1GCZ_R01_S0001_C0000_L00008_S0001_C0024_G0010_E0001.mol2 │ │ ├── 428_1GCZ_R01_S0001_C0000_L00008_S0001_C0025_G0010_E0001.mol2 │ │ ├── 429_1GCZ_R01_S0001_C0000_L00008_S0001_C0025_G0010_E0001.mol2 │ │ ├── 42_1GCZ_R01_S0001_C0000_L00003_S0001_C0009_G0010_E0001.mol2 │ │ ├── 430_1GCZ_R01_S0001_C0000_L00008_S0001_C0026_G0010_E0001.mol2 │ │ ├── 431_1GCZ_R01_S0001_C0000_L00008_S0001_C0026_G0010_E0001.mol2 │ │ ├── 432_1GCZ_R01_S0001_C0000_L00008_S0001_C0027_G0010_E0001.mol2 │ │ ├── 433_1GCZ_R01_S0001_C0000_L00008_S0001_C0027_G0010_E0001.mol2 │ │ ├── 434_1GCZ_R01_S0001_C0000_L00008_S0001_C0028_G0010_E0001.mol2 │ │ ├── 435_1GCZ_R01_S0001_C0000_L00008_S0001_C0028_G0010_E0001.mol2 │ │ ├── 436_1GCZ_R01_S0001_C0000_L00008_S0001_C0029_G0010_E0001.mol2 │ │ ├── 437_1GCZ_R01_S0001_C0000_L00008_S0001_C0029_G0010_E0001.mol2 │ │ ├── 438_1GCZ_R01_S0001_C0000_L00008_S0001_C0030_G0010_E0001.mol2 │ │ ├── 439_1GCZ_R01_S0001_C0000_L00008_S0001_C0030_G0010_E0001.mol2 │ │ ├── 43_1GCZ_R01_S0001_C0000_L00003_S0001_C0009_G0010_E0001.mol2 │ │ ├── 440_1GCZ_R01_S0001_C0000_L00008_S0001_C0031_G0010_E0001.mol2 │ │ ├── 441_1GCZ_R01_S0001_C0000_L00008_S0001_C0031_G0010_E0001.mol2 │ │ ├── 442_1GCZ_R01_S0001_C0000_L00008_S0001_C0032_G0010_E0001.mol2 │ │ ├── 443_1GCZ_R01_S0001_C0000_L00008_S0001_C0032_G0010_E0001.mol2 │ │ ├── 444_1GCZ_R01_S0001_C0000_L00008_S0001_C0033_G0010_E0001.mol2 │ │ ├── 445_1GCZ_R01_S0001_C0000_L00008_S0001_C0033_G0010_E0001.mol2 │ │ ├── 446_1GCZ_R01_S0001_C0000_L00008_S0001_C0034_G0010_E0001.mol2 │ │ ├── 447_1GCZ_R01_S0001_C0000_L00008_S0001_C0034_G0010_E0001.mol2 │ │ ├── 448_1GCZ_R01_S0001_C0000_L00008_S0001_C0035_G0010_E0001.mol2 │ │ ├── 449_1GCZ_R01_S0001_C0000_L00008_S0001_C0035_G0010_E0001.mol2 │ │ ├── 44_1GCZ_R01_S0001_C0000_L00003_S0001_C0010_G0010_E0001.mol2 │ │ ├── 450_1GCZ_R01_S0001_C0000_L00009_S0001_C0000_G0010_E0001.mol2 │ │ ├── 451_1GCZ_R01_S0001_C0000_L00009_S0001_C0000_G0010_E0001.mol2 │ │ ├── 452_1GCZ_R01_S0001_C0000_L00009_S0001_C0001_G0010_E0001.mol2 │ │ ├── 453_1GCZ_R01_S0001_C0000_L00009_S0001_C0001_G0010_E0001.mol2 │ │ ├── 454_1GCZ_R01_S0001_C0000_L00009_S0001_C0002_G0010_E0001.mol2 │ │ ├── 455_1GCZ_R01_S0001_C0000_L00009_S0001_C0002_G0010_E0001.mol2 │ │ ├── 456_1GCZ_R01_S0001_C0000_L00009_S0001_C0003_G0010_E0001.mol2 │ │ ├── 457_1GCZ_R01_S0001_C0000_L00009_S0001_C0003_G0010_E0001.mol2 │ │ ├── 458_1GCZ_R01_S0001_C0000_L00009_S0001_C0004_G0010_E0001.mol2 │ │ ├── 459_1GCZ_R01_S0001_C0000_L00009_S0001_C0004_G0010_E0001.mol2 │ │ ├── 45_1GCZ_R01_S0001_C0000_L00003_S0001_C0010_G0010_E0001.mol2 │ │ ├── 460_1GCZ_R01_S0001_C0000_L00009_S0001_C0005_G0010_E0001.mol2 │ │ ├── 461_1GCZ_R01_S0001_C0000_L00009_S0001_C0005_G0010_E0001.mol2 │ │ ├── 462_1GCZ_R01_S0001_C0000_L00009_S0001_C0006_G0010_E0001.mol2 │ │ ├── 463_1GCZ_R01_S0001_C0000_L00009_S0001_C0006_G0010_E0001.mol2 │ │ ├── 464_1GCZ_R01_S0001_C0000_L00009_S0001_C0007_G0010_E0001.mol2 │ │ ├── 465_1GCZ_R01_S0001_C0000_L00009_S0001_C0007_G0010_E0001.mol2 │ │ ├── 466_1GCZ_R01_S0001_C0000_L00009_S0001_C0008_G0010_E0001.mol2 │ │ ├── 467_1GCZ_R01_S0001_C0000_L00009_S0001_C0008_G0010_E0001.mol2 │ │ ├── 468_1GCZ_R01_S0001_C0000_L00009_S0001_C0009_G0010_E0001.mol2 │ │ ├── 469_1GCZ_R01_S0001_C0000_L00009_S0001_C0009_G0010_E0001.mol2 │ │ ├── 46_1GCZ_R01_S0001_C0000_L00003_S0001_C0011_G0010_E0001.mol2 │ │ ├── 470_1GCZ_R01_S0001_C0000_L00009_S0001_C0010_G0010_E0001.mol2 │ │ ├── 471_1GCZ_R01_S0001_C0000_L00009_S0001_C0010_G0010_E0001.mol2 │ │ ├── 472_1GCZ_R01_S0001_C0000_L00009_S0001_C0011_G0010_E0001.mol2 │ │ ├── 473_1GCZ_R01_S0001_C0000_L00009_S0001_C0011_G0010_E0001.mol2 │ │ ├── 474_1GCZ_R01_S0001_C0000_L00009_S0001_C0012_G0010_E0001.mol2 │ │ ├── 475_1GCZ_R01_S0001_C0000_L00009_S0001_C0012_G0010_E0001.mol2 │ │ ├── 476_1GCZ_R01_S0001_C0000_L00010_S0001_C0000_G0010_E0001.mol2 │ │ ├── 477_1GCZ_R01_S0001_C0000_L00010_S0001_C0000_G0010_E0001.mol2 │ │ ├── 478_1GCZ_R01_S0001_C0000_L00010_S0001_C0001_G0010_E0001.mol2 │ │ ├── 479_1GCZ_R01_S0001_C0000_L00010_S0001_C0001_G0010_E0001.mol2 │ │ ├── 47_1GCZ_R01_S0001_C0000_L00003_S0001_C0011_G0010_E0001.mol2 │ │ ├── 480_1GCZ_R01_S0001_C0000_L00010_S0001_C0002_G0010_E0001.mol2 │ │ ├── 481_1GCZ_R01_S0001_C0000_L00010_S0001_C0002_G0010_E0001.mol2 │ │ ├── 482_1GCZ_R01_S0001_C0000_L00010_S0001_C0003_G0010_E0001.mol2 │ │ ├── 483_1GCZ_R01_S0001_C0000_L00010_S0001_C0003_G0010_E0001.mol2 │ │ ├── 484_1GCZ_R01_S0001_C0000_L00010_S0001_C0004_G0010_E0001.mol2 │ │ ├── 485_1GCZ_R01_S0001_C0000_L00010_S0001_C0004_G0010_E0001.mol2 │ │ ├── 486_1GCZ_R01_S0001_C0000_L00011_S0001_C0000_G0010_E0001.mol2 │ │ ├── 487_1GCZ_R01_S0001_C0000_L00011_S0001_C0000_G0010_E0001.mol2 │ │ ├── 488_1GCZ_R01_S0001_C0000_L00011_S0001_C0001_G0010_E0001.mol2 │ │ ├── 489_1GCZ_R01_S0001_C0000_L00011_S0001_C0001_G0010_E0001.mol2 │ │ ├── 48_1GCZ_R01_S0001_C0000_L00003_S0001_C0012_G0010_E0001.mol2 │ │ ├── 490_1GCZ_R01_S0001_C0000_L00011_S0001_C0002_G0010_E0001.mol2 │ │ ├── 491_1GCZ_R01_S0001_C0000_L00011_S0001_C0002_G0010_E0001.mol2 │ │ ├── 492_1GCZ_R01_S0001_C0000_L00011_S0001_C0003_G0010_E0001.mol2 │ │ ├── 493_1GCZ_R01_S0001_C0000_L00011_S0001_C0003_G0010_E0001.mol2 │ │ ├── 494_1GCZ_R01_S0001_C0000_L00011_S0001_C0004_G0010_E0001.mol2 │ │ ├── 495_1GCZ_R01_S0001_C0000_L00011_S0001_C0004_G0010_E0001.mol2 │ │ ├── 496_1GCZ_R01_S0001_C0000_L00011_S0001_C0005_G0010_E0001.mol2 │ │ ├── 497_1GCZ_R01_S0001_C0000_L00011_S0001_C0005_G0010_E0001.mol2 │ │ ├── 498_1GCZ_R01_S0001_C0000_L00011_S0001_C0006_G0010_E0001.mol2 │ │ ├── 499_1GCZ_R01_S0001_C0000_L00011_S0001_C0006_G0010_E0001.mol2 │ │ ├── 49_1GCZ_R01_S0001_C0000_L00003_S0001_C0012_G0010_E0001.mol2 │ │ ├── 4_1GCZ_R01_S0001_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 500_1GCZ_R01_S0001_C0000_L00011_S0001_C0007_G0010_E0001.mol2 │ │ ├── 501_1GCZ_R01_S0001_C0000_L00011_S0001_C0007_G0010_E0001.mol2 │ │ ├── 502_1GCZ_R01_S0001_C0000_L00011_S0001_C0008_G0010_E0001.mol2 │ │ ├── 503_1GCZ_R01_S0001_C0000_L00011_S0001_C0008_G0010_E0001.mol2 │ │ ├── 504_1GCZ_R01_S0001_C0000_L00011_S0001_C0009_G0010_E0001.mol2 │ │ ├── 505_1GCZ_R01_S0001_C0000_L00011_S0001_C0009_G0010_E0001.mol2 │ │ ├── 506_1GCZ_R01_S0001_C0000_L00011_S0001_C0010_G0010_E0001.mol2 │ │ ├── 507_1GCZ_R01_S0001_C0000_L00011_S0001_C0010_G0010_E0001.mol2 │ │ ├── 508_1GCZ_R01_S0001_C0000_L00011_S0001_C0011_G0010_E0001.mol2 │ │ ├── 509_1GCZ_R01_S0001_C0000_L00011_S0001_C0011_G0010_E0001.mol2 │ │ ├── 50_1GCZ_R01_S0001_C0000_L00003_S0001_C0013_G0010_E0001.mol2 │ │ ├── 510_1GCZ_R01_S0001_C0000_L00011_S0001_C0012_G0010_E0001.mol2 │ │ ├── 511_1GCZ_R01_S0001_C0000_L00011_S0001_C0012_G0010_E0001.mol2 │ │ ├── 512_1GCZ_R01_S0001_C0000_L00011_S0001_C0013_G0010_E0001.mol2 │ │ ├── 513_1GCZ_R01_S0001_C0000_L00011_S0001_C0013_G0010_E0001.mol2 │ │ ├── 514_1GCZ_R01_S0001_C0000_L00011_S0001_C0014_G0010_E0001.mol2 │ │ ├── 515_1GCZ_R01_S0001_C0000_L00011_S0001_C0014_G0010_E0001.mol2 │ │ ├── 516_1GCZ_R01_S0001_C0000_L00011_S0001_C0015_G0010_E0001.mol2 │ │ ├── 517_1GCZ_R01_S0001_C0000_L00011_S0001_C0015_G0010_E0001.mol2 │ │ ├── 518_1GCZ_R01_S0001_C0000_L00011_S0001_C0016_G0010_E0001.mol2 │ │ ├── 519_1GCZ_R01_S0001_C0000_L00011_S0001_C0016_G0010_E0001.mol2 │ │ ├── 51_1GCZ_R01_S0001_C0000_L00003_S0001_C0013_G0010_E0001.mol2 │ │ ├── 520_1GCZ_R01_S0001_C0000_L00011_S0001_C0017_G0010_E0001.mol2 │ │ ├── 521_1GCZ_R01_S0001_C0000_L00011_S0001_C0017_G0010_E0001.mol2 │ │ ├── 522_1GCZ_R01_S0001_C0000_L00011_S0001_C0018_G0010_E0001.mol2 │ │ ├── 523_1GCZ_R01_S0001_C0000_L00011_S0001_C0018_G0010_E0001.mol2 │ │ ├── 524_1GCZ_R01_S0001_C0000_L00011_S0001_C0019_G0010_E0001.mol2 │ │ ├── 525_1GCZ_R01_S0001_C0000_L00011_S0001_C0019_G0010_E0001.mol2 │ │ ├── 526_1GCZ_R01_S0001_C0000_L00011_S0001_C0020_G0010_E0001.mol2 │ │ ├── 527_1GCZ_R01_S0001_C0000_L00011_S0001_C0020_G0010_E0001.mol2 │ │ ├── 528_1GCZ_R01_S0001_C0000_L00011_S0001_C0021_G0010_E0001.mol2 │ │ ├── 529_1GCZ_R01_S0001_C0000_L00011_S0001_C0021_G0010_E0001.mol2 │ │ ├── 52_1GCZ_R01_S0001_C0000_L00003_S0001_C0014_G0010_E0001.mol2 │ │ ├── 530_1GCZ_R01_S0001_C0000_L00011_S0001_C0022_G0010_E0001.mol2 │ │ ├── 531_1GCZ_R01_S0001_C0000_L00011_S0001_C0022_G0010_E0001.mol2 │ │ ├── 532_1GCZ_R01_S0001_C0000_L00011_S0001_C0023_G0010_E0001.mol2 │ │ ├── 533_1GCZ_R01_S0001_C0000_L00011_S0001_C0023_G0010_E0001.mol2 │ │ ├── 534_1GCZ_R01_S0001_C0000_L00011_S0001_C0024_G0010_E0001.mol2 │ │ ├── 535_1GCZ_R01_S0001_C0000_L00011_S0001_C0024_G0010_E0001.mol2 │ │ ├── 536_1GCZ_R01_S0001_C0000_L00011_S0001_C0025_G0010_E0001.mol2 │ │ ├── 537_1GCZ_R01_S0001_C0000_L00011_S0001_C0025_G0010_E0001.mol2 │ │ ├── 538_1GCZ_R01_S0001_C0000_L00011_S0001_C0026_G0010_E0001.mol2 │ │ ├── 539_1GCZ_R01_S0001_C0000_L00011_S0001_C0026_G0010_E0001.mol2 │ │ ├── 53_1GCZ_R01_S0001_C0000_L00003_S0001_C0014_G0010_E0001.mol2 │ │ ├── 540_1GCZ_R01_S0001_C0000_L00011_S0001_C0027_G0010_E0001.mol2 │ │ ├── 541_1GCZ_R01_S0001_C0000_L00011_S0001_C0027_G0010_E0001.mol2 │ │ ├── 542_1GCZ_R01_S0001_C0000_L00011_S0001_C0028_G0010_E0001.mol2 │ │ ├── 543_1GCZ_R01_S0001_C0000_L00011_S0001_C0028_G0010_E0001.mol2 │ │ ├── 544_1GCZ_R01_S0001_C0000_L00011_S0001_C0029_G0010_E0001.mol2 │ │ ├── 545_1GCZ_R01_S0001_C0000_L00011_S0001_C0029_G0010_E0001.mol2 │ │ ├── 546_1GCZ_R01_S0001_C0000_L00011_S0001_C0030_G0010_E0001.mol2 │ │ ├── 547_1GCZ_R01_S0001_C0000_L00011_S0001_C0030_G0010_E0001.mol2 │ │ ├── 548_1GCZ_R01_S0001_C0000_L00011_S0001_C0031_G0010_E0001.mol2 │ │ ├── 549_1GCZ_R01_S0001_C0000_L00011_S0001_C0031_G0010_E0001.mol2 │ │ ├── 54_1GCZ_R01_S0001_C0000_L00003_S0001_C0015_G0010_E0001.mol2 │ │ ├── 550_1GCZ_R01_S0001_C0000_L00011_S0001_C0032_G0010_E0001.mol2 │ │ ├── 551_1GCZ_R01_S0001_C0000_L00011_S0001_C0032_G0010_E0001.mol2 │ │ ├── 552_1GCZ_R01_S0001_C0000_L00011_S0001_C0033_G0010_E0001.mol2 │ │ ├── 553_1GCZ_R01_S0001_C0000_L00011_S0001_C0033_G0010_E0001.mol2 │ │ ├── 554_1GCZ_R01_S0001_C0000_L00011_S0001_C0034_G0010_E0001.mol2 │ │ ├── 555_1GCZ_R01_S0001_C0000_L00011_S0001_C0034_G0010_E0001.mol2 │ │ ├── 556_1GCZ_R01_S0001_C0000_L00011_S0001_C0035_G0010_E0001.mol2 │ │ ├── 557_1GCZ_R01_S0001_C0000_L00011_S0001_C0035_G0010_E0001.mol2 │ │ ├── 558_1GCZ_R01_S0001_C0000_L00011_S0001_C0036_G0010_E0001.mol2 │ │ ├── 559_1GCZ_R01_S0001_C0000_L00011_S0001_C0036_G0010_E0001.mol2 │ │ ├── 55_1GCZ_R01_S0001_C0000_L00003_S0001_C0015_G0010_E0001.mol2 │ │ ├── 560_1GCZ_R01_S0001_C0000_L00011_S0001_C0037_G0010_E0001.mol2 │ │ ├── 561_1GCZ_R01_S0001_C0000_L00011_S0001_C0037_G0010_E0001.mol2 │ │ ├── 562_1GCZ_R01_S0001_C0000_L00011_S0001_C0038_G0010_E0001.mol2 │ │ ├── 563_1GCZ_R01_S0001_C0000_L00011_S0001_C0038_G0010_E0001.mol2 │ │ ├── 564_1GCZ_R01_S0001_C0000_L00011_S0001_C0039_G0010_E0001.mol2 │ │ ├── 565_1GCZ_R01_S0001_C0000_L00011_S0001_C0039_G0010_E0001.mol2 │ │ ├── 566_1GCZ_R01_S0001_C0000_L00011_S0001_C0040_G0010_E0001.mol2 │ │ ├── 567_1GCZ_R01_S0001_C0000_L00011_S0001_C0040_G0010_E0001.mol2 │ │ ├── 568_1GCZ_R01_S0001_C0000_L00011_S0001_C0041_G0010_E0001.mol2 │ │ ├── 569_1GCZ_R01_S0001_C0000_L00011_S0001_C0041_G0010_E0001.mol2 │ │ ├── 56_1GCZ_R01_S0001_C0000_L00003_S0001_C0016_G0010_E0001.mol2 │ │ ├── 570_1GCZ_R01_S0001_C0000_L00011_S0001_C0042_G0010_E0001.mol2 │ │ ├── 571_1GCZ_R01_S0001_C0000_L00011_S0001_C0042_G0010_E0001.mol2 │ │ ├── 572_1GCZ_R01_S0001_C0000_L00011_S0001_C0043_G0010_E0001.mol2 │ │ ├── 573_1GCZ_R01_S0001_C0000_L00011_S0001_C0043_G0010_E0001.mol2 │ │ ├── 574_1GCZ_R01_S0001_C0000_L00011_S0001_C0044_G0010_E0001.mol2 │ │ ├── 575_1GCZ_R01_S0001_C0000_L00011_S0001_C0044_G0010_E0001.mol2 │ │ ├── 576_1GCZ_R01_S0001_C0000_L00011_S0001_C0045_G0010_E0001.mol2 │ │ ├── 577_1GCZ_R01_S0001_C0000_L00011_S0001_C0045_G0010_E0001.mol2 │ │ ├── 578_1GCZ_R01_S0001_C0000_L00011_S0001_C0046_G0010_E0001.mol2 │ │ ├── 579_1GCZ_R01_S0001_C0000_L00011_S0001_C0046_G0010_E0001.mol2 │ │ ├── 57_1GCZ_R01_S0001_C0000_L00003_S0001_C0016_G0010_E0001.mol2 │ │ ├── 580_1GCZ_R01_S0001_C0000_L00011_S0001_C0047_G0010_E0001.mol2 │ │ ├── 581_1GCZ_R01_S0001_C0000_L00011_S0001_C0047_G0010_E0001.mol2 │ │ ├── 582_1GCZ_R01_S0001_C0000_L00011_S0001_C0048_G0010_E0001.mol2 │ │ ├── 583_1GCZ_R01_S0001_C0000_L00011_S0001_C0048_G0010_E0001.mol2 │ │ ├── 584_1GCZ_R01_S0001_C0000_L00011_S0001_C0049_G0010_E0001.mol2 │ │ ├── 585_1GCZ_R01_S0001_C0000_L00011_S0001_C0049_G0010_E0001.mol2 │ │ ├── 586_1GCZ_R01_S0001_C0000_L00011_S0001_C0050_G0010_E0001.mol2 │ │ ├── 587_1GCZ_R01_S0001_C0000_L00011_S0001_C0050_G0010_E0001.mol2 │ │ ├── 588_1GCZ_R01_S0001_C0000_L00012_S0001_C0000_G0010_E0001.mol2 │ │ ├── 589_1GCZ_R01_S0001_C0000_L00012_S0001_C0000_G0010_E0001.mol2 │ │ ├── 58_1GCZ_R01_S0001_C0000_L00003_S0001_C0017_G0010_E0001.mol2 │ │ ├── 590_1GCZ_R01_S0001_C0000_L00012_S0001_C0001_G0010_E0001.mol2 │ │ ├── 591_1GCZ_R01_S0001_C0000_L00012_S0001_C0001_G0010_E0001.mol2 │ │ ├── 592_1GCZ_R01_S0001_C0000_L00012_S0001_C0002_G0010_E0001.mol2 │ │ ├── 593_1GCZ_R01_S0001_C0000_L00012_S0001_C0002_G0010_E0001.mol2 │ │ ├── 594_1GCZ_R01_S0001_C0000_L00012_S0001_C0003_G0010_E0001.mol2 │ │ ├── 595_1GCZ_R01_S0001_C0000_L00012_S0001_C0003_G0010_E0001.mol2 │ │ ├── 596_1GCZ_R01_S0001_C0000_L00012_S0001_C0004_G0010_E0001.mol2 │ │ ├── 597_1GCZ_R01_S0001_C0000_L00012_S0001_C0004_G0010_E0001.mol2 │ │ ├── 598_1GCZ_R01_S0001_C0000_L00012_S0001_C0005_G0010_E0001.mol2 │ │ ├── 599_1GCZ_R01_S0001_C0000_L00012_S0001_C0005_G0010_E0001.mol2 │ │ ├── 59_1GCZ_R01_S0001_C0000_L00003_S0001_C0017_G0010_E0001.mol2 │ │ ├── 5_1GCZ_R01_S0001_C0000_L00001_S0001_C0003_G0010_E0001.mol2 │ │ ├── 600_1GCZ_R01_S0001_C0000_L00012_S0001_C0006_G0010_E0001.mol2 │ │ ├── 601_1GCZ_R01_S0001_C0000_L00012_S0001_C0006_G0010_E0001.mol2 │ │ ├── 602_1GCZ_R01_S0001_C0000_L00012_S0001_C0007_G0010_E0001.mol2 │ │ ├── 603_1GCZ_R01_S0001_C0000_L00012_S0001_C0007_G0010_E0001.mol2 │ │ ├── 604_1GCZ_R01_S0001_C0000_L00012_S0001_C0008_G0010_E0001.mol2 │ │ ├── 605_1GCZ_R01_S0001_C0000_L00012_S0001_C0008_G0010_E0001.mol2 │ │ ├── 606_1GCZ_R01_S0001_C0000_L00012_S0001_C0009_G0010_E0001.mol2 │ │ ├── 607_1GCZ_R01_S0001_C0000_L00012_S0001_C0009_G0010_E0001.mol2 │ │ ├── 608_1GCZ_R01_S0001_C0000_L00012_S0001_C0010_G0010_E0001.mol2 │ │ ├── 609_1GCZ_R01_S0001_C0000_L00012_S0001_C0010_G0010_E0001.mol2 │ │ ├── 60_1GCZ_R01_S0001_C0000_L00003_S0001_C0018_G0010_E0001.mol2 │ │ ├── 610_1GCZ_R01_S0001_C0000_L00012_S0001_C0011_G0010_E0001.mol2 │ │ ├── 611_1GCZ_R01_S0001_C0000_L00012_S0001_C0011_G0010_E0001.mol2 │ │ ├── 612_1GCZ_R01_S0001_C0000_L00012_S0001_C0012_G0010_E0001.mol2 │ │ ├── 613_1GCZ_R01_S0001_C0000_L00012_S0001_C0012_G0010_E0001.mol2 │ │ ├── 614_1GCZ_R01_S0001_C0000_L00012_S0001_C0013_G0010_E0001.mol2 │ │ ├── 615_1GCZ_R01_S0001_C0000_L00012_S0001_C0013_G0010_E0001.mol2 │ │ ├── 616_1GCZ_R01_S0001_C0000_L00012_S0001_C0014_G0010_E0001.mol2 │ │ ├── 617_1GCZ_R01_S0001_C0000_L00012_S0001_C0014_G0010_E0001.mol2 │ │ ├── 618_1GCZ_R01_S0001_C0000_L00012_S0001_C0015_G0010_E0001.mol2 │ │ ├── 619_1GCZ_R01_S0001_C0000_L00012_S0001_C0015_G0010_E0001.mol2 │ │ ├── 61_1GCZ_R01_S0001_C0000_L00003_S0001_C0018_G0010_E0001.mol2 │ │ ├── 620_1GCZ_R01_S0001_C0000_L00012_S0001_C0016_G0010_E0001.mol2 │ │ ├── 621_1GCZ_R01_S0001_C0000_L00012_S0001_C0016_G0010_E0001.mol2 │ │ ├── 622_1GCZ_R01_S0001_C0000_L00012_S0001_C0017_G0010_E0001.mol2 │ │ ├── 623_1GCZ_R01_S0001_C0000_L00012_S0001_C0017_G0010_E0001.mol2 │ │ ├── 624_1GCZ_R01_S0001_C0000_L00012_S0001_C0018_G0010_E0001.mol2 │ │ ├── 625_1GCZ_R01_S0001_C0000_L00012_S0001_C0018_G0010_E0001.mol2 │ │ ├── 626_1GCZ_R01_S0001_C0000_L00012_S0001_C0019_G0010_E0001.mol2 │ │ ├── 627_1GCZ_R01_S0001_C0000_L00012_S0001_C0019_G0010_E0001.mol2 │ │ ├── 628_1GCZ_R01_S0001_C0000_L00012_S0001_C0020_G0010_E0001.mol2 │ │ ├── 629_1GCZ_R01_S0001_C0000_L00012_S0001_C0020_G0010_E0001.mol2 │ │ ├── 62_1GCZ_R01_S0001_C0000_L00003_S0001_C0019_G0010_E0001.mol2 │ │ ├── 630_1GCZ_R01_S0001_C0000_L00012_S0001_C0021_G0010_E0001.mol2 │ │ ├── 631_1GCZ_R01_S0001_C0000_L00012_S0001_C0021_G0010_E0001.mol2 │ │ ├── 632_1GCZ_R01_S0001_C0000_L00012_S0001_C0022_G0010_E0001.mol2 │ │ ├── 633_1GCZ_R01_S0001_C0000_L00012_S0001_C0022_G0010_E0001.mol2 │ │ ├── 634_1GCZ_R01_S0001_C0000_L00012_S0001_C0023_G0010_E0001.mol2 │ │ ├── 635_1GCZ_R01_S0001_C0000_L00012_S0001_C0023_G0010_E0001.mol2 │ │ ├── 636_1GCZ_R01_S0001_C0000_L00012_S0001_C0024_G0010_E0001.mol2 │ │ ├── 637_1GCZ_R01_S0001_C0000_L00012_S0001_C0024_G0010_E0001.mol2 │ │ ├── 638_1GCZ_R01_S0001_C0000_L00012_S0001_C0025_G0010_E0001.mol2 │ │ ├── 639_1GCZ_R01_S0001_C0000_L00012_S0001_C0025_G0010_E0001.mol2 │ │ ├── 63_1GCZ_R01_S0001_C0000_L00003_S0001_C0019_G0010_E0001.mol2 │ │ ├── 640_1GCZ_R01_S0001_C0000_L00012_S0001_C0026_G0010_E0001.mol2 │ │ ├── 641_1GCZ_R01_S0001_C0000_L00012_S0001_C0026_G0010_E0001.mol2 │ │ ├── 642_1GCZ_R01_S0001_C0000_L00012_S0001_C0027_G0010_E0001.mol2 │ │ ├── 643_1GCZ_R01_S0001_C0000_L00012_S0001_C0027_G0010_E0001.mol2 │ │ ├── 644_1GCZ_R01_S0001_C0000_L00012_S0001_C0028_G0010_E0001.mol2 │ │ ├── 645_1GCZ_R01_S0001_C0000_L00012_S0001_C0028_G0010_E0001.mol2 │ │ ├── 646_1GCZ_R01_S0001_C0000_L00012_S0001_C0029_G0010_E0001.mol2 │ │ ├── 647_1GCZ_R01_S0001_C0000_L00012_S0001_C0029_G0010_E0001.mol2 │ │ ├── 648_1GCZ_R01_S0001_C0000_L00012_S0001_C0030_G0010_E0001.mol2 │ │ ├── 649_1GCZ_R01_S0001_C0000_L00012_S0001_C0030_G0010_E0001.mol2 │ │ ├── 64_1GCZ_R01_S0001_C0000_L00003_S0001_C0020_G0010_E0001.mol2 │ │ ├── 650_1GCZ_R01_S0001_C0000_L00012_S0001_C0031_G0010_E0001.mol2 │ │ ├── 651_1GCZ_R01_S0001_C0000_L00012_S0001_C0031_G0010_E0001.mol2 │ │ ├── 652_1GCZ_R01_S0001_C0000_L00012_S0001_C0032_G0010_E0001.mol2 │ │ ├── 653_1GCZ_R01_S0001_C0000_L00012_S0001_C0032_G0010_E0001.mol2 │ │ ├── 654_1GCZ_R01_S0001_C0000_L00012_S0001_C0033_G0010_E0001.mol2 │ │ ├── 655_1GCZ_R01_S0001_C0000_L00012_S0001_C0033_G0010_E0001.mol2 │ │ ├── 656_1GCZ_R01_S0001_C0000_L00012_S0001_C0034_G0010_E0001.mol2 │ │ ├── 657_1GCZ_R01_S0001_C0000_L00012_S0001_C0034_G0010_E0001.mol2 │ │ ├── 658_1GCZ_R01_S0001_C0000_L00012_S0001_C0035_G0010_E0001.mol2 │ │ ├── 659_1GCZ_R01_S0001_C0000_L00012_S0001_C0035_G0010_E0001.mol2 │ │ ├── 65_1GCZ_R01_S0001_C0000_L00003_S0001_C0020_G0010_E0001.mol2 │ │ ├── 660_1GCZ_R01_S0001_C0000_L00012_S0001_C0036_G0010_E0001.mol2 │ │ ├── 661_1GCZ_R01_S0001_C0000_L00012_S0001_C0036_G0010_E0001.mol2 │ │ ├── 662_1GCZ_R01_S0001_C0000_L00012_S0001_C0037_G0010_E0001.mol2 │ │ ├── 663_1GCZ_R01_S0001_C0000_L00012_S0001_C0037_G0010_E0001.mol2 │ │ ├── 664_1GCZ_R01_S0001_C0000_L00012_S0001_C0038_G0010_E0001.mol2 │ │ ├── 665_1GCZ_R01_S0001_C0000_L00012_S0001_C0038_G0010_E0001.mol2 │ │ ├── 666_1GCZ_R01_S0001_C0000_L00012_S0001_C0039_G0010_E0001.mol2 │ │ ├── 667_1GCZ_R01_S0001_C0000_L00012_S0001_C0039_G0010_E0001.mol2 │ │ ├── 668_1GCZ_R01_S0001_C0000_L00012_S0001_C0040_G0010_E0001.mol2 │ │ ├── 669_1GCZ_R01_S0001_C0000_L00012_S0001_C0040_G0010_E0001.mol2 │ │ ├── 66_1GCZ_R01_S0001_C0000_L00003_S0001_C0021_G0010_E0001.mol2 │ │ ├── 670_1GCZ_R01_S0001_C0000_L00012_S0001_C0041_G0010_E0001.mol2 │ │ ├── 671_1GCZ_R01_S0001_C0000_L00012_S0001_C0041_G0010_E0001.mol2 │ │ ├── 672_1GCZ_R01_S0001_C0000_L00012_S0001_C0042_G0010_E0001.mol2 │ │ ├── 673_1GCZ_R01_S0001_C0000_L00012_S0001_C0042_G0010_E0001.mol2 │ │ ├── 674_1GCZ_R01_S0001_C0000_L00012_S0001_C0043_G0010_E0001.mol2 │ │ ├── 675_1GCZ_R01_S0001_C0000_L00012_S0001_C0043_G0010_E0001.mol2 │ │ ├── 676_1GCZ_R01_S0001_C0000_L00012_S0001_C0044_G0010_E0001.mol2 │ │ ├── 677_1GCZ_R01_S0001_C0000_L00012_S0001_C0044_G0010_E0001.mol2 │ │ ├── 678_1GCZ_R01_S0001_C0000_L00012_S0001_C0045_G0010_E0001.mol2 │ │ ├── 679_1GCZ_R01_S0001_C0000_L00012_S0001_C0045_G0010_E0001.mol2 │ │ ├── 67_1GCZ_R01_S0001_C0000_L00003_S0001_C0021_G0010_E0001.mol2 │ │ ├── 680_1GCZ_R01_S0001_C0000_L00012_S0001_C0046_G0010_E0001.mol2 │ │ ├── 681_1GCZ_R01_S0001_C0000_L00012_S0001_C0046_G0010_E0001.mol2 │ │ ├── 682_1GCZ_R01_S0001_C0000_L00012_S0001_C0047_G0010_E0001.mol2 │ │ ├── 683_1GCZ_R01_S0001_C0000_L00012_S0001_C0047_G0010_E0001.mol2 │ │ ├── 684_1GCZ_R01_S0001_C0000_L00012_S0001_C0048_G0010_E0001.mol2 │ │ ├── 685_1GCZ_R01_S0001_C0000_L00012_S0001_C0048_G0010_E0001.mol2 │ │ ├── 686_1GCZ_R01_S0001_C0000_L00012_S0001_C0049_G0010_E0001.mol2 │ │ ├── 687_1GCZ_R01_S0001_C0000_L00012_S0001_C0049_G0010_E0001.mol2 │ │ ├── 688_1GCZ_R01_S0001_C0000_L00012_S0001_C0050_G0010_E0001.mol2 │ │ ├── 689_1GCZ_R01_S0001_C0000_L00012_S0001_C0050_G0010_E0001.mol2 │ │ ├── 68_1GCZ_R01_S0001_C0000_L00003_S0001_C0022_G0010_E0001.mol2 │ │ ├── 690_1GCZ_R01_S0001_C0000_L00013_S0001_C0000_G0010_E0001.mol2 │ │ ├── 691_1GCZ_R01_S0001_C0000_L00013_S0001_C0000_G0010_E0001.mol2 │ │ ├── 692_1GCZ_R01_S0001_C0000_L00013_S0001_C0001_G0010_E0001.mol2 │ │ ├── 693_1GCZ_R01_S0001_C0000_L00013_S0001_C0001_G0010_E0001.mol2 │ │ ├── 694_1GCZ_R01_S0001_C0000_L00013_S0001_C0002_G0010_E0001.mol2 │ │ ├── 695_1GCZ_R01_S0001_C0000_L00013_S0001_C0002_G0010_E0001.mol2 │ │ ├── 696_1GCZ_R01_S0001_C0000_L00013_S0001_C0003_G0010_E0001.mol2 │ │ ├── 697_1GCZ_R01_S0001_C0000_L00013_S0001_C0003_G0010_E0001.mol2 │ │ ├── 698_1GCZ_R01_S0001_C0000_L00013_S0001_C0004_G0010_E0001.mol2 │ │ ├── 699_1GCZ_R01_S0001_C0000_L00013_S0001_C0004_G0010_E0001.mol2 │ │ ├── 69_1GCZ_R01_S0001_C0000_L00003_S0001_C0022_G0010_E0001.mol2 │ │ ├── 6_1GCZ_R01_S0001_C0000_L00002_S0001_C0000_G0010_E0001.mol2 │ │ ├── 700_1GCZ_R01_S0001_C0000_L00013_S0001_C0005_G0010_E0001.mol2 │ │ ├── 701_1GCZ_R01_S0001_C0000_L00013_S0001_C0005_G0010_E0001.mol2 │ │ ├── 702_1GCZ_R01_S0001_C0000_L00013_S0001_C0006_G0010_E0001.mol2 │ │ ├── 703_1GCZ_R01_S0001_C0000_L00013_S0001_C0006_G0010_E0001.mol2 │ │ ├── 704_1GCZ_R01_S0001_C0000_L00013_S0001_C0007_G0010_E0001.mol2 │ │ ├── 705_1GCZ_R01_S0001_C0000_L00013_S0001_C0007_G0010_E0001.mol2 │ │ ├── 706_1GCZ_R01_S0001_C0000_L00013_S0001_C0008_G0010_E0001.mol2 │ │ ├── 707_1GCZ_R01_S0001_C0000_L00013_S0001_C0008_G0010_E0001.mol2 │ │ ├── 708_1GCZ_R01_S0001_C0000_L00013_S0001_C0009_G0010_E0001.mol2 │ │ ├── 709_1GCZ_R01_S0001_C0000_L00013_S0001_C0009_G0010_E0001.mol2 │ │ ├── 70_1GCZ_R01_S0001_C0000_L00003_S0001_C0023_G0010_E0001.mol2 │ │ ├── 710_1GCZ_R01_S0001_C0000_L00014_S0001_C0000_G0010_E0001.mol2 │ │ ├── 711_1GCZ_R01_S0001_C0000_L00014_S0001_C0000_G0010_E0001.mol2 │ │ ├── 712_1GCZ_R01_S0001_C0000_L00014_S0001_C0001_G0010_E0001.mol2 │ │ ├── 713_1GCZ_R01_S0001_C0000_L00014_S0001_C0001_G0010_E0001.mol2 │ │ ├── 714_1GCZ_R01_S0001_C0000_L00014_S0001_C0002_G0010_E0001.mol2 │ │ ├── 715_1GCZ_R01_S0001_C0000_L00014_S0001_C0002_G0010_E0001.mol2 │ │ ├── 716_1GCZ_R01_S0001_C0000_L00014_S0001_C0003_G0010_E0001.mol2 │ │ ├── 717_1GCZ_R01_S0001_C0000_L00014_S0001_C0003_G0010_E0001.mol2 │ │ ├── 718_1GCZ_R01_S0001_C0000_L00014_S0001_C0004_G0010_E0001.mol2 │ │ ├── 719_1GCZ_R01_S0001_C0000_L00014_S0001_C0004_G0010_E0001.mol2 │ │ ├── 71_1GCZ_R01_S0001_C0000_L00003_S0001_C0023_G0010_E0001.mol2 │ │ ├── 720_1GCZ_R01_S0001_C0000_L00014_S0001_C0005_G0010_E0001.mol2 │ │ ├── 721_1GCZ_R01_S0001_C0000_L00014_S0001_C0005_G0010_E0001.mol2 │ │ ├── 722_1GCZ_R01_S0001_C0000_L00014_S0001_C0006_G0010_E0001.mol2 │ │ ├── 723_1GCZ_R01_S0001_C0000_L00014_S0001_C0006_G0010_E0001.mol2 │ │ ├── 724_1GCZ_R01_S0001_C0000_L00014_S0001_C0007_G0010_E0001.mol2 │ │ ├── 725_1GCZ_R01_S0001_C0000_L00014_S0001_C0007_G0010_E0001.mol2 │ │ ├── 726_1GCZ_R01_S0001_C0000_L00014_S0001_C0008_G0010_E0001.mol2 │ │ ├── 727_1GCZ_R01_S0001_C0000_L00014_S0001_C0008_G0010_E0001.mol2 │ │ ├── 728_1GCZ_R01_S0001_C0000_L00014_S0001_C0009_G0010_E0001.mol2 │ │ ├── 729_1GCZ_R01_S0001_C0000_L00014_S0001_C0009_G0010_E0001.mol2 │ │ ├── 72_1GCZ_R01_S0001_C0000_L00003_S0001_C0024_G0010_E0001.mol2 │ │ ├── 730_1GCZ_R01_S0001_C0000_L00014_S0001_C0010_G0010_E0001.mol2 │ │ ├── 731_1GCZ_R01_S0001_C0000_L00014_S0001_C0010_G0010_E0001.mol2 │ │ ├── 732_1GCZ_R01_S0001_C0000_L00014_S0001_C0011_G0010_E0001.mol2 │ │ ├── 733_1GCZ_R01_S0001_C0000_L00014_S0001_C0011_G0010_E0001.mol2 │ │ ├── 734_1GCZ_R01_S0001_C0000_L00014_S0001_C0012_G0010_E0001.mol2 │ │ ├── 735_1GCZ_R01_S0001_C0000_L00014_S0001_C0012_G0010_E0001.mol2 │ │ ├── 736_1GCZ_R01_S0001_C0000_L00014_S0001_C0013_G0010_E0001.mol2 │ │ ├── 737_1GCZ_R01_S0001_C0000_L00014_S0001_C0013_G0010_E0001.mol2 │ │ ├── 738_1GCZ_R01_S0001_C0000_L00014_S0001_C0014_G0010_E0001.mol2 │ │ ├── 739_1GCZ_R01_S0001_C0000_L00014_S0001_C0014_G0010_E0001.mol2 │ │ ├── 73_1GCZ_R01_S0001_C0000_L00003_S0001_C0024_G0010_E0001.mol2 │ │ ├── 740_1GCZ_R01_S0001_C0000_L00014_S0001_C0015_G0010_E0001.mol2 │ │ ├── 741_1GCZ_R01_S0001_C0000_L00014_S0001_C0015_G0010_E0001.mol2 │ │ ├── 742_1GCZ_R01_S0001_C0000_L00014_S0001_C0016_G0010_E0001.mol2 │ │ ├── 743_1GCZ_R01_S0001_C0000_L00014_S0001_C0016_G0010_E0001.mol2 │ │ ├── 744_1GCZ_R01_S0001_C0000_L00014_S0001_C0017_G0010_E0001.mol2 │ │ ├── 745_1GCZ_R01_S0001_C0000_L00014_S0001_C0017_G0010_E0001.mol2 │ │ ├── 746_1GCZ_R01_S0001_C0000_L00014_S0001_C0018_G0010_E0001.mol2 │ │ ├── 747_1GCZ_R01_S0001_C0000_L00014_S0001_C0018_G0010_E0001.mol2 │ │ ├── 748_1GCZ_R01_S0001_C0000_L00014_S0001_C0019_G0010_E0001.mol2 │ │ ├── 749_1GCZ_R01_S0001_C0000_L00014_S0001_C0019_G0010_E0001.mol2 │ │ ├── 74_1GCZ_R01_S0001_C0000_L00003_S0001_C0025_G0010_E0001.mol2 │ │ ├── 750_1GCZ_R01_S0001_C0000_L00014_S0001_C0020_G0010_E0001.mol2 │ │ ├── 751_1GCZ_R01_S0001_C0000_L00014_S0001_C0020_G0010_E0001.mol2 │ │ ├── 752_1GCZ_R01_S0001_C0000_L00014_S0001_C0021_G0010_E0001.mol2 │ │ ├── 753_1GCZ_R01_S0001_C0000_L00014_S0001_C0021_G0010_E0001.mol2 │ │ ├── 754_1GCZ_R01_S0001_C0000_L00014_S0001_C0022_G0010_E0001.mol2 │ │ ├── 755_1GCZ_R01_S0001_C0000_L00014_S0001_C0022_G0010_E0001.mol2 │ │ ├── 756_1GCZ_R01_S0001_C0000_L00014_S0001_C0023_G0010_E0001.mol2 │ │ ├── 757_1GCZ_R01_S0001_C0000_L00014_S0001_C0023_G0010_E0001.mol2 │ │ ├── 758_1GCZ_R01_S0001_C0000_L00014_S0001_C0024_G0010_E0001.mol2 │ │ ├── 759_1GCZ_R01_S0001_C0000_L00014_S0001_C0024_G0010_E0001.mol2 │ │ ├── 75_1GCZ_R01_S0001_C0000_L00003_S0001_C0025_G0010_E0001.mol2 │ │ ├── 760_1GCZ_R01_S0001_C0000_L00014_S0001_C0025_G0010_E0001.mol2 │ │ ├── 761_1GCZ_R01_S0001_C0000_L00014_S0001_C0025_G0010_E0001.mol2 │ │ ├── 762_1GCZ_R01_S0001_C0000_L00014_S0001_C0026_G0010_E0001.mol2 │ │ ├── 763_1GCZ_R01_S0001_C0000_L00014_S0001_C0026_G0010_E0001.mol2 │ │ ├── 764_1GCZ_R01_S0001_C0000_L00014_S0001_C0027_G0010_E0001.mol2 │ │ ├── 765_1GCZ_R01_S0001_C0000_L00014_S0001_C0027_G0010_E0001.mol2 │ │ ├── 766_1GCZ_R01_S0001_C0000_L00014_S0001_C0028_G0010_E0001.mol2 │ │ ├── 767_1GCZ_R01_S0001_C0000_L00014_S0001_C0028_G0010_E0001.mol2 │ │ ├── 768_1GCZ_R01_S0001_C0000_L00014_S0001_C0029_G0010_E0001.mol2 │ │ ├── 769_1GCZ_R01_S0001_C0000_L00014_S0001_C0029_G0010_E0001.mol2 │ │ ├── 76_1GCZ_R01_S0001_C0000_L00003_S0001_C0026_G0010_E0001.mol2 │ │ ├── 770_1GCZ_R01_S0001_C0000_L00014_S0001_C0030_G0010_E0001.mol2 │ │ ├── 771_1GCZ_R01_S0001_C0000_L00014_S0001_C0030_G0010_E0001.mol2 │ │ ├── 772_1GCZ_R01_S0001_C0000_L00014_S0001_C0031_G0010_E0001.mol2 │ │ ├── 773_1GCZ_R01_S0001_C0000_L00014_S0001_C0031_G0010_E0001.mol2 │ │ ├── 774_1GCZ_R01_S0001_C0000_L00014_S0001_C0032_G0010_E0001.mol2 │ │ ├── 775_1GCZ_R01_S0001_C0000_L00014_S0001_C0032_G0010_E0001.mol2 │ │ ├── 776_1GCZ_R01_S0001_C0000_L00014_S0001_C0033_G0010_E0001.mol2 │ │ ├── 777_1GCZ_R01_S0001_C0000_L00014_S0001_C0033_G0010_E0001.mol2 │ │ ├── 778_1GCZ_R01_S0001_C0000_L00014_S0001_C0034_G0010_E0001.mol2 │ │ ├── 779_1GCZ_R01_S0001_C0000_L00014_S0001_C0034_G0010_E0001.mol2 │ │ ├── 77_1GCZ_R01_S0001_C0000_L00003_S0001_C0026_G0010_E0001.mol2 │ │ ├── 780_1GCZ_R01_S0001_C0000_L00014_S0001_C0035_G0010_E0001.mol2 │ │ ├── 781_1GCZ_R01_S0001_C0000_L00014_S0001_C0035_G0010_E0001.mol2 │ │ ├── 782_1GCZ_R01_S0001_C0000_L00014_S0001_C0036_G0010_E0001.mol2 │ │ ├── 783_1GCZ_R01_S0001_C0000_L00014_S0001_C0036_G0010_E0001.mol2 │ │ ├── 784_1GCZ_R01_S0001_C0000_L00014_S0001_C0037_G0010_E0001.mol2 │ │ ├── 785_1GCZ_R01_S0001_C0000_L00014_S0001_C0037_G0010_E0001.mol2 │ │ ├── 786_1GCZ_R01_S0001_C0000_L00014_S0001_C0038_G0010_E0001.mol2 │ │ ├── 787_1GCZ_R01_S0001_C0000_L00014_S0001_C0038_G0010_E0001.mol2 │ │ ├── 788_1GCZ_R01_S0001_C0000_L00014_S0001_C0039_G0010_E0001.mol2 │ │ ├── 789_1GCZ_R01_S0001_C0000_L00014_S0001_C0039_G0010_E0001.mol2 │ │ ├── 78_1GCZ_R01_S0001_C0000_L00003_S0001_C0027_G0010_E0001.mol2 │ │ ├── 790_1GCZ_R01_S0001_C0000_L00014_S0001_C0040_G0010_E0001.mol2 │ │ ├── 791_1GCZ_R01_S0001_C0000_L00014_S0001_C0040_G0010_E0001.mol2 │ │ ├── 792_1GCZ_R01_S0001_C0000_L00014_S0001_C0041_G0010_E0001.mol2 │ │ ├── 793_1GCZ_R01_S0001_C0000_L00014_S0001_C0041_G0010_E0001.mol2 │ │ ├── 794_1GCZ_R01_S0001_C0000_L00014_S0001_C0042_G0010_E0001.mol2 │ │ ├── 795_1GCZ_R01_S0001_C0000_L00014_S0001_C0042_G0010_E0001.mol2 │ │ ├── 796_1GCZ_R01_S0001_C0000_L00014_S0001_C0043_G0010_E0001.mol2 │ │ ├── 797_1GCZ_R01_S0001_C0000_L00014_S0001_C0043_G0010_E0001.mol2 │ │ ├── 798_1GCZ_R01_S0001_C0000_L00014_S0001_C0044_G0010_E0001.mol2 │ │ ├── 799_1GCZ_R01_S0001_C0000_L00014_S0001_C0044_G0010_E0001.mol2 │ │ ├── 79_1GCZ_R01_S0001_C0000_L00003_S0001_C0027_G0010_E0001.mol2 │ │ ├── 7_1GCZ_R01_S0001_C0000_L00002_S0001_C0000_G0010_E0001.mol2 │ │ ├── 800_1GCZ_R01_S0001_C0000_L00014_S0001_C0045_G0010_E0001.mol2 │ │ ├── 801_1GCZ_R01_S0001_C0000_L00014_S0001_C0045_G0010_E0001.mol2 │ │ ├── 802_1GCZ_R01_S0001_C0000_L00014_S0001_C0046_G0010_E0001.mol2 │ │ ├── 803_1GCZ_R01_S0001_C0000_L00014_S0001_C0046_G0010_E0001.mol2 │ │ ├── 804_1GCZ_R01_S0001_C0000_L00014_S0001_C0047_G0010_E0001.mol2 │ │ ├── 805_1GCZ_R01_S0001_C0000_L00014_S0001_C0047_G0010_E0001.mol2 │ │ ├── 806_1GCZ_R01_S0001_C0000_L00014_S0001_C0048_G0010_E0001.mol2 │ │ ├── 807_1GCZ_R01_S0001_C0000_L00014_S0001_C0048_G0010_E0001.mol2 │ │ ├── 808_1GCZ_R01_S0001_C0000_L00014_S0001_C0049_G0010_E0001.mol2 │ │ ├── 809_1GCZ_R01_S0001_C0000_L00014_S0001_C0049_G0010_E0001.mol2 │ │ ├── 80_1GCZ_R01_S0001_C0000_L00003_S0001_C0028_G0010_E0001.mol2 │ │ ├── 810_1GCZ_R01_S0001_C0000_L00014_S0001_C0050_G0010_E0001.mol2 │ │ ├── 811_1GCZ_R01_S0001_C0000_L00014_S0001_C0050_G0010_E0001.mol2 │ │ ├── 812_1GCZ_R01_S0001_C0000_L00015_S0001_C0000_G0010_E0001.mol2 │ │ ├── 813_1GCZ_R01_S0001_C0000_L00015_S0001_C0000_G0010_E0001.mol2 │ │ ├── 814_1GCZ_R01_S0001_C0000_L00015_S0001_C0001_G0010_E0001.mol2 │ │ ├── 815_1GCZ_R01_S0001_C0000_L00015_S0001_C0001_G0010_E0001.mol2 │ │ ├── 816_1GCZ_R01_S0001_C0000_L00015_S0001_C0002_G0010_E0001.mol2 │ │ ├── 817_1GCZ_R01_S0001_C0000_L00015_S0001_C0002_G0010_E0001.mol2 │ │ ├── 818_1GCZ_R01_S0001_C0000_L00015_S0001_C0003_G0010_E0001.mol2 │ │ ├── 819_1GCZ_R01_S0001_C0000_L00015_S0001_C0003_G0010_E0001.mol2 │ │ ├── 81_1GCZ_R01_S0001_C0000_L00003_S0001_C0028_G0010_E0001.mol2 │ │ ├── 820_1GCZ_R01_S0001_C0000_L00015_S0001_C0004_G0010_E0001.mol2 │ │ ├── 821_1GCZ_R01_S0001_C0000_L00015_S0001_C0004_G0010_E0001.mol2 │ │ ├── 822_1GCZ_R01_S0001_C0000_L00015_S0001_C0005_G0010_E0001.mol2 │ │ ├── 823_1GCZ_R01_S0001_C0000_L00015_S0001_C0005_G0010_E0001.mol2 │ │ ├── 824_1GCZ_R01_S0001_C0000_L00015_S0001_C0006_G0010_E0001.mol2 │ │ ├── 825_1GCZ_R01_S0001_C0000_L00015_S0001_C0006_G0010_E0001.mol2 │ │ ├── 826_1GCZ_R01_S0001_C0000_L00015_S0001_C0007_G0010_E0001.mol2 │ │ ├── 827_1GCZ_R01_S0001_C0000_L00015_S0001_C0007_G0010_E0001.mol2 │ │ ├── 828_1GCZ_R01_S0001_C0000_L00015_S0001_C0008_G0010_E0001.mol2 │ │ ├── 829_1GCZ_R01_S0001_C0000_L00015_S0001_C0008_G0010_E0001.mol2 │ │ ├── 82_1GCZ_R01_S0001_C0000_L00003_S0001_C0029_G0010_E0001.mol2 │ │ ├── 830_1GCZ_R01_S0001_C0000_L00015_S0001_C0009_G0010_E0001.mol2 │ │ ├── 831_1GCZ_R01_S0001_C0000_L00015_S0001_C0009_G0010_E0001.mol2 │ │ ├── 832_1GCZ_R01_S0001_C0000_L00015_S0001_C0010_G0010_E0001.mol2 │ │ ├── 833_1GCZ_R01_S0001_C0000_L00015_S0001_C0010_G0010_E0001.mol2 │ │ ├── 834_1GCZ_R01_S0001_C0000_L00015_S0001_C0011_G0010_E0001.mol2 │ │ ├── 835_1GCZ_R01_S0001_C0000_L00015_S0001_C0011_G0010_E0001.mol2 │ │ ├── 836_1GCZ_R01_S0001_C0000_L00015_S0001_C0012_G0010_E0001.mol2 │ │ ├── 837_1GCZ_R01_S0001_C0000_L00015_S0001_C0012_G0010_E0001.mol2 │ │ ├── 838_1GCZ_R01_S0001_C0000_L00015_S0001_C0013_G0010_E0001.mol2 │ │ ├── 839_1GCZ_R01_S0001_C0000_L00015_S0001_C0013_G0010_E0001.mol2 │ │ ├── 83_1GCZ_R01_S0001_C0000_L00003_S0001_C0029_G0010_E0001.mol2 │ │ ├── 840_1GCZ_R01_S0001_C0000_L00015_S0001_C0014_G0010_E0001.mol2 │ │ ├── 841_1GCZ_R01_S0001_C0000_L00015_S0001_C0014_G0010_E0001.mol2 │ │ ├── 842_1GCZ_R01_S0001_C0000_L00015_S0001_C0015_G0010_E0001.mol2 │ │ ├── 843_1GCZ_R01_S0001_C0000_L00015_S0001_C0015_G0010_E0001.mol2 │ │ ├── 844_1GCZ_R01_S0001_C0000_L00015_S0001_C0016_G0010_E0001.mol2 │ │ ├── 845_1GCZ_R01_S0001_C0000_L00015_S0001_C0016_G0010_E0001.mol2 │ │ ├── 846_1GCZ_R01_S0001_C0000_L00015_S0001_C0017_G0010_E0001.mol2 │ │ ├── 847_1GCZ_R01_S0001_C0000_L00015_S0001_C0017_G0010_E0001.mol2 │ │ ├── 848_1GCZ_R01_S0001_C0000_L00015_S0001_C0018_G0010_E0001.mol2 │ │ ├── 849_1GCZ_R01_S0001_C0000_L00015_S0001_C0018_G0010_E0001.mol2 │ │ ├── 84_1GCZ_R01_S0001_C0000_L00003_S0001_C0030_G0010_E0001.mol2 │ │ ├── 850_1GCZ_R01_S0001_C0000_L00015_S0001_C0019_G0010_E0001.mol2 │ │ ├── 851_1GCZ_R01_S0001_C0000_L00015_S0001_C0019_G0010_E0001.mol2 │ │ ├── 852_1GCZ_R01_S0001_C0000_L00015_S0001_C0020_G0010_E0001.mol2 │ │ ├── 853_1GCZ_R01_S0001_C0000_L00015_S0001_C0020_G0010_E0001.mol2 │ │ ├── 854_1GCZ_R01_S0001_C0000_L00015_S0001_C0021_G0010_E0001.mol2 │ │ ├── 855_1GCZ_R01_S0001_C0000_L00015_S0001_C0021_G0010_E0001.mol2 │ │ ├── 856_1GCZ_R01_S0001_C0000_L00015_S0001_C0022_G0010_E0001.mol2 │ │ ├── 857_1GCZ_R01_S0001_C0000_L00015_S0001_C0022_G0010_E0001.mol2 │ │ ├── 858_1GCZ_R01_S0001_C0000_L00015_S0001_C0023_G0010_E0001.mol2 │ │ ├── 859_1GCZ_R01_S0001_C0000_L00015_S0001_C0023_G0010_E0001.mol2 │ │ ├── 85_1GCZ_R01_S0001_C0000_L00003_S0001_C0030_G0010_E0001.mol2 │ │ ├── 860_1GCZ_R01_S0001_C0000_L00015_S0001_C0024_G0010_E0001.mol2 │ │ ├── 861_1GCZ_R01_S0001_C0000_L00015_S0001_C0024_G0010_E0001.mol2 │ │ ├── 862_1GCZ_R01_S0001_C0000_L00015_S0001_C0025_G0010_E0001.mol2 │ │ ├── 863_1GCZ_R01_S0001_C0000_L00015_S0001_C0025_G0010_E0001.mol2 │ │ ├── 864_1GCZ_R01_S0001_C0000_L00015_S0001_C0026_G0010_E0001.mol2 │ │ ├── 865_1GCZ_R01_S0001_C0000_L00015_S0001_C0026_G0010_E0001.mol2 │ │ ├── 866_1GCZ_R01_S0001_C0000_L00015_S0001_C0027_G0010_E0001.mol2 │ │ ├── 867_1GCZ_R01_S0001_C0000_L00015_S0001_C0027_G0010_E0001.mol2 │ │ ├── 868_1GCZ_R01_S0001_C0000_L00015_S0001_C0028_G0010_E0001.mol2 │ │ ├── 869_1GCZ_R01_S0001_C0000_L00015_S0001_C0028_G0010_E0001.mol2 │ │ ├── 86_1GCZ_R01_S0001_C0000_L00003_S0001_C0031_G0010_E0001.mol2 │ │ ├── 870_1GCZ_R01_S0001_C0000_L00015_S0001_C0029_G0010_E0001.mol2 │ │ ├── 871_1GCZ_R01_S0001_C0000_L00015_S0001_C0029_G0010_E0001.mol2 │ │ ├── 872_1GCZ_R01_S0001_C0000_L00015_S0001_C0030_G0010_E0001.mol2 │ │ ├── 873_1GCZ_R01_S0001_C0000_L00015_S0001_C0030_G0010_E0001.mol2 │ │ ├── 874_1GCZ_R01_S0001_C0000_L00015_S0001_C0031_G0010_E0001.mol2 │ │ ├── 875_1GCZ_R01_S0001_C0000_L00015_S0001_C0031_G0010_E0001.mol2 │ │ ├── 876_1GCZ_R01_S0001_C0000_L00015_S0001_C0032_G0010_E0001.mol2 │ │ ├── 877_1GCZ_R01_S0001_C0000_L00015_S0001_C0032_G0010_E0001.mol2 │ │ ├── 878_1GCZ_R01_S0001_C0000_L00015_S0001_C0033_G0010_E0001.mol2 │ │ ├── 879_1GCZ_R01_S0001_C0000_L00015_S0001_C0033_G0010_E0001.mol2 │ │ ├── 87_1GCZ_R01_S0001_C0000_L00003_S0001_C0031_G0010_E0001.mol2 │ │ ├── 880_1GCZ_R01_S0001_C0000_L00015_S0001_C0034_G0010_E0001.mol2 │ │ ├── 881_1GCZ_R01_S0001_C0000_L00015_S0001_C0034_G0010_E0001.mol2 │ │ ├── 882_1GCZ_R01_S0001_C0000_L00015_S0001_C0035_G0010_E0001.mol2 │ │ ├── 883_1GCZ_R01_S0001_C0000_L00015_S0001_C0035_G0010_E0001.mol2 │ │ ├── 884_1GCZ_R01_S0001_C0000_L00015_S0001_C0036_G0010_E0001.mol2 │ │ ├── 885_1GCZ_R01_S0001_C0000_L00015_S0001_C0036_G0010_E0001.mol2 │ │ ├── 886_1GCZ_R01_S0001_C0000_L00015_S0001_C0037_G0010_E0001.mol2 │ │ ├── 887_1GCZ_R01_S0001_C0000_L00015_S0001_C0037_G0010_E0001.mol2 │ │ ├── 888_1GCZ_R01_S0001_C0000_L00015_S0001_C0038_G0010_E0001.mol2 │ │ ├── 889_1GCZ_R01_S0001_C0000_L00015_S0001_C0038_G0010_E0001.mol2 │ │ ├── 88_1GCZ_R01_S0001_C0000_L00003_S0001_C0032_G0010_E0001.mol2 │ │ ├── 890_1GCZ_R01_S0001_C0000_L00015_S0001_C0039_G0010_E0001.mol2 │ │ ├── 891_1GCZ_R01_S0001_C0000_L00015_S0001_C0039_G0010_E0001.mol2 │ │ ├── 892_1GCZ_R01_S0001_C0000_L00015_S0001_C0040_G0010_E0001.mol2 │ │ ├── 893_1GCZ_R01_S0001_C0000_L00015_S0001_C0040_G0010_E0001.mol2 │ │ ├── 894_1GCZ_R01_S0001_C0000_L00015_S0001_C0041_G0010_E0001.mol2 │ │ ├── 895_1GCZ_R01_S0001_C0000_L00015_S0001_C0041_G0010_E0001.mol2 │ │ ├── 896_1GCZ_R01_S0001_C0000_L00015_S0001_C0042_G0010_E0001.mol2 │ │ ├── 897_1GCZ_R01_S0001_C0000_L00015_S0001_C0042_G0010_E0001.mol2 │ │ ├── 898_1GCZ_R01_S0001_C0000_L00015_S0001_C0043_G0010_E0001.mol2 │ │ ├── 899_1GCZ_R01_S0001_C0000_L00015_S0001_C0043_G0010_E0001.mol2 │ │ ├── 89_1GCZ_R01_S0001_C0000_L00003_S0001_C0032_G0010_E0001.mol2 │ │ ├── 8_1GCZ_R01_S0001_C0000_L00002_S0001_C0001_G0010_E0001.mol2 │ │ ├── 900_1GCZ_R01_S0001_C0000_L00015_S0001_C0044_G0010_E0001.mol2 │ │ ├── 901_1GCZ_R01_S0001_C0000_L00015_S0001_C0044_G0010_E0001.mol2 │ │ ├── 902_1GCZ_R01_S0001_C0000_L00015_S0001_C0045_G0010_E0001.mol2 │ │ ├── 903_1GCZ_R01_S0001_C0000_L00015_S0001_C0045_G0010_E0001.mol2 │ │ ├── 904_1GCZ_R01_S0001_C0000_L00015_S0001_C0046_G0010_E0001.mol2 │ │ ├── 905_1GCZ_R01_S0001_C0000_L00015_S0001_C0046_G0010_E0001.mol2 │ │ ├── 906_1GCZ_R01_S0001_C0000_L00015_S0001_C0047_G0010_E0001.mol2 │ │ ├── 907_1GCZ_R01_S0001_C0000_L00015_S0001_C0047_G0010_E0001.mol2 │ │ ├── 908_1GCZ_R01_S0001_C0000_L00015_S0001_C0048_G0010_E0001.mol2 │ │ ├── 909_1GCZ_R01_S0001_C0000_L00015_S0001_C0048_G0010_E0001.mol2 │ │ ├── 90_1GCZ_R01_S0001_C0000_L00003_S0001_C0033_G0010_E0001.mol2 │ │ ├── 910_1GCZ_R01_S0001_C0000_L00015_S0001_C0049_G0010_E0001.mol2 │ │ ├── 911_1GCZ_R01_S0001_C0000_L00015_S0001_C0049_G0010_E0001.mol2 │ │ ├── 912_1GCZ_R01_S0001_C0000_L00015_S0001_C0050_G0010_E0001.mol2 │ │ ├── 913_1GCZ_R01_S0001_C0000_L00015_S0001_C0050_G0010_E0001.mol2 │ │ ├── 914_1GCZ_R01_S0001_C0000_L00016_S0001_C0000_G0010_E0001.mol2 │ │ ├── 915_1GCZ_R01_S0001_C0000_L00016_S0001_C0000_G0010_E0001.mol2 │ │ ├── 916_1GCZ_R01_S0001_C0000_L00016_S0001_C0002_G0010_E0001.mol2 │ │ ├── 917_1GCZ_R01_S0001_C0000_L00016_S0001_C0002_G0010_E0001.mol2 │ │ ├── 918_1GCZ_R01_S0001_C0000_L00016_S0001_C0003_G0010_E0001.mol2 │ │ ├── 919_1GCZ_R01_S0001_C0000_L00016_S0001_C0003_G0010_E0001.mol2 │ │ ├── 91_1GCZ_R01_S0001_C0000_L00003_S0001_C0033_G0010_E0001.mol2 │ │ ├── 920_1GCZ_R01_S0001_C0000_L00016_S0001_C0004_G0010_E0001.mol2 │ │ ├── 921_1GCZ_R01_S0001_C0000_L00016_S0001_C0004_G0010_E0001.mol2 │ │ ├── 922_1GCZ_R01_S0001_C0000_L00016_S0001_C0005_G0010_E0001.mol2 │ │ ├── 923_1GCZ_R01_S0001_C0000_L00016_S0001_C0005_G0010_E0001.mol2 │ │ ├── 924_1GCZ_R01_S0001_C0000_L00016_S0001_C0006_G0010_E0001.mol2 │ │ ├── 925_1GCZ_R01_S0001_C0000_L00016_S0001_C0006_G0010_E0001.mol2 │ │ ├── 926_1GCZ_R01_S0001_C0000_L00016_S0001_C0007_G0010_E0001.mol2 │ │ ├── 927_1GCZ_R01_S0001_C0000_L00016_S0001_C0007_G0010_E0001.mol2 │ │ ├── 928_1GCZ_R01_S0001_C0000_L00016_S0001_C0008_G0010_E0001.mol2 │ │ ├── 929_1GCZ_R01_S0001_C0000_L00016_S0001_C0008_G0010_E0001.mol2 │ │ ├── 92_1GCZ_R01_S0001_C0000_L00003_S0001_C0034_G0010_E0001.mol2 │ │ ├── 930_1GCZ_R01_S0001_C0000_L00016_S0001_C0009_G0010_E0001.mol2 │ │ ├── 931_1GCZ_R01_S0001_C0000_L00016_S0001_C0009_G0010_E0001.mol2 │ │ ├── 932_1GCZ_R01_S0001_C0000_L00016_S0001_C0010_G0010_E0001.mol2 │ │ ├── 933_1GCZ_R01_S0001_C0000_L00016_S0001_C0010_G0010_E0001.mol2 │ │ ├── 934_1GCZ_R01_S0001_C0000_L00016_S0001_C0011_G0010_E0001.mol2 │ │ ├── 935_1GCZ_R01_S0001_C0000_L00016_S0001_C0011_G0010_E0001.mol2 │ │ ├── 936_1GCZ_R01_S0001_C0000_L00016_S0001_C0012_G0010_E0001.mol2 │ │ ├── 937_1GCZ_R01_S0001_C0000_L00016_S0001_C0012_G0010_E0001.mol2 │ │ ├── 938_1GCZ_R01_S0001_C0000_L00016_S0001_C0013_G0010_E0001.mol2 │ │ ├── 939_1GCZ_R01_S0001_C0000_L00016_S0001_C0013_G0010_E0001.mol2 │ │ ├── 93_1GCZ_R01_S0001_C0000_L00003_S0001_C0034_G0010_E0001.mol2 │ │ ├── 940_1GCZ_R01_S0001_C0000_L00016_S0001_C0014_G0010_E0001.mol2 │ │ ├── 941_1GCZ_R01_S0001_C0000_L00016_S0001_C0014_G0010_E0001.mol2 │ │ ├── 942_1GCZ_R01_S0001_C0000_L00017_S0001_C0000_G0010_E0001.mol2 │ │ ├── 943_1GCZ_R01_S0001_C0000_L00017_S0001_C0000_G0010_E0001.mol2 │ │ ├── 944_1GCZ_R01_S0001_C0000_L00017_S0001_C0001_G0010_E0001.mol2 │ │ ├── 945_1GCZ_R01_S0001_C0000_L00017_S0001_C0001_G0010_E0001.mol2 │ │ ├── 946_1GCZ_R01_S0001_C0000_L00017_S0001_C0002_G0010_E0001.mol2 │ │ ├── 947_1GCZ_R01_S0001_C0000_L00017_S0001_C0002_G0010_E0001.mol2 │ │ ├── 948_1GCZ_R01_S0001_C0000_L00017_S0001_C0003_G0010_E0001.mol2 │ │ ├── 949_1GCZ_R01_S0001_C0000_L00017_S0001_C0003_G0010_E0001.mol2 │ │ ├── 94_1GCZ_R01_S0001_C0000_L00003_S0001_C0035_G0010_E0001.mol2 │ │ ├── 950_1GCZ_R01_S0001_C0000_L00017_S0001_C0004_G0010_E0001.mol2 │ │ ├── 951_1GCZ_R01_S0001_C0000_L00017_S0001_C0004_G0010_E0001.mol2 │ │ ├── 952_1GCZ_R01_S0001_C0000_L00017_S0001_C0005_G0010_E0001.mol2 │ │ ├── 953_1GCZ_R01_S0001_C0000_L00017_S0001_C0005_G0010_E0001.mol2 │ │ ├── 954_1GCZ_R01_S0001_C0000_L00017_S0001_C0006_G0010_E0001.mol2 │ │ ├── 955_1GCZ_R01_S0001_C0000_L00017_S0001_C0006_G0010_E0001.mol2 │ │ ├── 956_1GCZ_R01_S0001_C0000_L00017_S0001_C0007_G0010_E0001.mol2 │ │ ├── 957_1GCZ_R01_S0001_C0000_L00017_S0001_C0007_G0010_E0001.mol2 │ │ ├── 958_1GCZ_R01_S0001_C0000_L00017_S0001_C0008_G0010_E0001.mol2 │ │ ├── 959_1GCZ_R01_S0001_C0000_L00017_S0001_C0008_G0010_E0001.mol2 │ │ ├── 95_1GCZ_R01_S0001_C0000_L00003_S0001_C0035_G0010_E0001.mol2 │ │ ├── 960_1GCZ_R01_S0001_C0000_L00017_S0001_C0009_G0010_E0001.mol2 │ │ ├── 961_1GCZ_R01_S0001_C0000_L00017_S0001_C0009_G0010_E0001.mol2 │ │ ├── 962_1GCZ_R01_S0001_C0000_L00017_S0001_C0010_G0010_E0001.mol2 │ │ ├── 963_1GCZ_R01_S0001_C0000_L00017_S0001_C0010_G0010_E0001.mol2 │ │ ├── 964_1GCZ_R01_S0001_C0000_L00017_S0001_C0011_G0010_E0001.mol2 │ │ ├── 965_1GCZ_R01_S0001_C0000_L00017_S0001_C0011_G0010_E0001.mol2 │ │ ├── 966_1GCZ_R01_S0001_C0000_L00017_S0001_C0012_G0010_E0001.mol2 │ │ ├── 967_1GCZ_R01_S0001_C0000_L00017_S0001_C0012_G0010_E0001.mol2 │ │ ├── 968_1GCZ_R01_S0001_C0000_L00017_S0001_C0013_G0010_E0001.mol2 │ │ ├── 969_1GCZ_R01_S0001_C0000_L00017_S0001_C0013_G0010_E0001.mol2 │ │ ├── 96_1GCZ_R01_S0001_C0000_L00003_S0001_C0036_G0010_E0001.mol2 │ │ ├── 970_1GCZ_R01_S0001_C0000_L00017_S0001_C0014_G0010_E0001.mol2 │ │ ├── 971_1GCZ_R01_S0001_C0000_L00017_S0001_C0014_G0010_E0001.mol2 │ │ ├── 972_1GCZ_R01_S0001_C0000_L00017_S0001_C0015_G0010_E0001.mol2 │ │ ├── 973_1GCZ_R01_S0001_C0000_L00017_S0001_C0015_G0010_E0001.mol2 │ │ ├── 974_1GCZ_R01_S0001_C0000_L00017_S0001_C0016_G0010_E0001.mol2 │ │ ├── 975_1GCZ_R01_S0001_C0000_L00017_S0001_C0016_G0010_E0001.mol2 │ │ ├── 976_1GCZ_R01_S0001_C0000_L00017_S0001_C0017_G0010_E0001.mol2 │ │ ├── 977_1GCZ_R01_S0001_C0000_L00017_S0001_C0017_G0010_E0001.mol2 │ │ ├── 978_1GCZ_R01_S0001_C0000_L00017_S0001_C0018_G0010_E0001.mol2 │ │ ├── 979_1GCZ_R01_S0001_C0000_L00017_S0001_C0018_G0010_E0001.mol2 │ │ ├── 97_1GCZ_R01_S0001_C0000_L00003_S0001_C0036_G0010_E0001.mol2 │ │ ├── 980_1GCZ_R01_S0001_C0000_L00017_S0001_C0019_G0010_E0001.mol2 │ │ ├── 981_1GCZ_R01_S0001_C0000_L00017_S0001_C0019_G0010_E0001.mol2 │ │ ├── 982_1GCZ_R01_S0001_C0000_L00017_S0001_C0020_G0010_E0001.mol2 │ │ ├── 983_1GCZ_R01_S0001_C0000_L00017_S0001_C0020_G0010_E0001.mol2 │ │ ├── 984_1GCZ_R01_S0001_C0000_L00017_S0001_C0021_G0010_E0001.mol2 │ │ ├── 985_1GCZ_R01_S0001_C0000_L00017_S0001_C0021_G0010_E0001.mol2 │ │ ├── 986_1GCZ_R01_S0001_C0000_L00017_S0001_C0022_G0010_E0001.mol2 │ │ ├── 987_1GCZ_R01_S0001_C0000_L00017_S0001_C0022_G0010_E0001.mol2 │ │ ├── 988_1GCZ_R01_S0001_C0000_L00017_S0001_C0023_G0010_E0001.mol2 │ │ ├── 989_1GCZ_R01_S0001_C0000_L00017_S0001_C0023_G0010_E0001.mol2 │ │ ├── 98_1GCZ_R01_S0001_C0000_L00003_S0001_C0037_G0010_E0001.mol2 │ │ ├── 990_1GCZ_R01_S0001_C0000_L00017_S0001_C0024_G0010_E0001.mol2 │ │ ├── 991_1GCZ_R01_S0001_C0000_L00017_S0001_C0024_G0010_E0001.mol2 │ │ ├── 992_1GCZ_R01_S0001_C0000_L00017_S0001_C0025_G0010_E0001.mol2 │ │ ├── 993_1GCZ_R01_S0001_C0000_L00017_S0001_C0025_G0010_E0001.mol2 │ │ ├── 994_1GCZ_R01_S0001_C0000_L00017_S0001_C0026_G0010_E0001.mol2 │ │ ├── 995_1GCZ_R01_S0001_C0000_L00017_S0001_C0026_G0010_E0001.mol2 │ │ ├── 996_1GCZ_R01_S0001_C0000_L00017_S0001_C0027_G0010_E0001.mol2 │ │ ├── 997_1GCZ_R01_S0001_C0000_L00017_S0001_C0027_G0010_E0001.mol2 │ │ ├── 998_1GCZ_R01_S0001_C0000_L00017_S0001_C0028_G0010_E0001.mol2 │ │ ├── 999_1GCZ_R01_S0001_C0000_L00017_S0001_C0028_G0010_E0001.mol2 │ │ ├── 99_1GCZ_R01_S0001_C0000_L00003_S0001_C0037_G0010_E0001.mol2 │ │ └── 9_1GCZ_R01_S0001_C0000_L00002_S0001_C0001_G0010_E0001.mol2 ├── ref-kernel.cpp ├── ref-kernel.h ├── test-bude.cpp └── test-main.cpp └── src ├── .clang-format ├── .gitignore ├── acc ├── fasten.hpp └── model.cmake ├── bude.h ├── ci-prepare-bionic.sh ├── ci-test-compile.sh ├── cuda ├── fasten.hpp └── model.cmake ├── hip ├── fasten.hpp └── model.cmake ├── julia └── miniBUDE.jl │ ├── .JuliaFormatter.toml │ ├── AMDGPU │ ├── Manifest.toml │ └── Project.toml │ ├── CUDA │ ├── Manifest.toml │ └── Project.toml │ ├── KernelAbstractions │ ├── Manifest.toml │ └── Project.toml │ ├── Manifest.toml │ ├── Project.toml │ ├── README.md │ ├── Threaded │ ├── Manifest.toml │ └── Project.toml │ ├── oneAPI │ ├── Manifest.toml │ └── Project.toml │ ├── src │ ├── AMDGPU.jl │ ├── BUDE.jl │ ├── CUDA.jl │ ├── KernelAbstractions.jl │ ├── Threaded.jl │ ├── miniBUDE.jl │ └── oneAPI.jl │ └── update_all.sh ├── kokkos ├── fasten.hpp └── model.cmake ├── main.cpp ├── meta_build.h.in ├── meta_vcs.h.in ├── ocl ├── CL │ ├── cl.h │ ├── cl_d3d10.h │ ├── cl_d3d11.h │ ├── cl_dx9_media_sharing.h │ ├── cl_dx9_media_sharing_intel.h │ ├── cl_egl.h │ ├── cl_ext.h │ ├── cl_ext_intel.h │ ├── cl_gl.h │ ├── cl_gl_ext.h │ ├── cl_half.h │ ├── cl_icd.h │ ├── cl_layer.h │ ├── cl_platform.h │ ├── cl_va_api_media_sharing_intel.h │ ├── cl_version.h │ ├── opencl.h │ └── opencl.hpp ├── fasten.hpp └── model.cmake ├── omp ├── fasten.hpp └── model.cmake ├── raja ├── fasten.hpp └── model.cmake ├── serial ├── fasten.hpp └── model.cmake ├── std-indices ├── dpl_shim.h ├── fasten.hpp └── model.cmake ├── std-ranges ├── fasten.hpp └── model.cmake ├── sycl ├── fasten.hpp └── model.cmake ├── tbb ├── fasten.hpp └── model.cmake └── thrust ├── fasten.hpp └── model.cmake /.clang-format: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/UoB-HPC/miniBUDE/HEAD/.clang-format 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