$D _V _B _P<*> _S _D _M TS<199807292001.28> | $D<"$RMOL"> _V _B _N _P<> _S _D _M TS<199807292001.29> | $D _V<"Component FP indicies;Component fingerprints;FPP ID"> _B<"FPP/nos;FPP/fps;FPP/id"> _N<"PART_NTUPLE 1;BINARY;"> _P<"*;*;"> _S<"Component fingerprint indicies;Component fingerprints;FPP ID"> _M _O TS<199807292001.29> | $D<"$GRF"> _V _B _N _P<> _S _D _M _O TS<199807292001.28> | $D<2D> _V<"2D-coordinates;Comment"> _B<"2D-coord;Comment"> _N _S<(X,Y) coordinates for 2-dimensional depiction> _D<(X,Y) coordinates for 2-dimensional depiction, stored as pairs in SMILES order> _M TS<199807292001.28> | $D _V<"Cluster;Size;Run ID;Variance"> _B<"Cluster;CL/size;CL/ID;CL/var"> _N<"NUMERIC;NUMERIC;;NUMERIC"> _P<"*;*;;*"> _S _D<"Cluster number;Cluster size;Cluster run ID;Variance"> _M _O TS<199807292001.28> | $D _V<"pKa;Solvent;Reference;Footnote;at Temp, C;Comment"> _B<"pKa;pKa/solv;pKa/ref;pKa/foot;pKa/temp;pKa/comment"> _N<"NUMERIC;INDIRECT $I;INDIRECT $I; INDIRECT $I;NUMERIC;"> _P<"*;*;;;*;*"> _S _D _M _O TS<199807292001.29> | $D<"$PMOL"> _V _B _N _P<> _S _D _M TS<199807292001.29> | $D<"$AMOL"> _V _B _N _P<> _S _D _M TS<199807292001.29> | $D<"$NAM"> _V _B _N _P<*> _S _D _M _O TS<199807292001.28> | $D _V<"Orientation;TR matrix;Comment"> _B<"Orient/name;Orient/matrix;Orient/comment"> _N<"NUMERIC;NUMERIC;"> _S<"Orientation in 3-space, generally applied to a Conformation ID;Name of the orientation, should be unique on within TDT;6-element translation/rotation matrix (Angstroms/radians);Source of this orientation;Remarks applying to this orientation only"> _M _O TS<199807292001.28> | $D

_V<"LogP;Solvent pair;Reference;Footnote;Selected;pH;Comment"> _B<"LogP;Solv pair;Reference;Footnote;Selected;pH;Comment"> _N<"NUMERIC;INDIRECT $I;INDIRECT $I;INDIRECT $I;;;"> _P<"*;*;*;*;*;*;"> _S<"LogP is raw partition coefficient data from the literature;"> _D<"Partition coefficient, log([nonpolar]/[polar]), from the literature;Solvent pair for which LogP measured, if only one solvent is listed, the polar solvent is water;Original reference to the measurement;Important information pertaining to the measurement method;Set to * if LogP is believed to represent a high quality value for the octanol/water partitioning of the molecular species;pH at which LogP was measured;Comments include references to related measurements"> _M _O TS<199807292001.29> | $D _V<"pKa1;Solvent;Reference;Footnote;at Temp, C;Comment"> _B<"pKa1;pKa1/solv;pKa1/ref;pKa1/foot;pKa1/temp;pKa1/comment"> _N<"NUMERIC;INDIRECT $I;INDIRECT $I; INDIRECT $I;NUMERIC;"> _P<"*;*;;;*;*"> _S _D _M _O TS<199807292001.29> | $D<"$ISM"> _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D _V _B _N _P<*> _S _D _M _O TS<199807292001.28> | $D<"$CLG"> _V<"Cluster generation;Source;Version;Input;Parameters"> _B<"CLG/id;CLG/src;CLG/ver;CLG/in;CLG/parm"> _N<";;;;"> _S _D<"Cluster-generation run id;Name of program that generated clusters;version of program that generated clusters;source of input data;parameters to program that generated clusters"> _M _O TS<199807292001.28> | $D<"$SMI"> _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D<"$SS"> _V _B _S<"Subset indicator; obsolete."> _D<"Subset indicator; obsolete."> _M _O TS<199807292001.29> | $D _V<"MR;Reference"> _B<"MR;Reference"> _N<"NUMERIC;INDIRECT $I"> _P<"*;*"> _S<"Molar refractivity / polarizability;Reference for data"> _D<"Molar refractivity / polarizability;Bibliographic reference for data"> _M _O TS<199807292001.29> | $D<"$WLN"> _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D<"$ISOL"> _V<"Ikey;SolRef"> _B<"Ikey;SolRef"> _S _D _M TS<199807292001.30> | $D _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D<"$REG"> _V _B _N _P _S _D _M _O TS<199807292001.29> | $D<"$I"> _V<"Ikey;Content"> _B<"Ikey;Content"> _S _D _M TS<199807292001.29> | $D _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D _V<"Reaction Xor Fingerprint;Obits;Oset;Nbits;Nset;Type;Run ID"> _B<"XFP;XFP/obits;XFP/oset;XFP/nbits;XFP/nset;XFP/type;XFP/id"> _N<"BINARY;NUMERIC;NUMERIC;NUMERIC;NUMERIC;NUMERIC;"> _P<";;;;;;"> _S _M TS<199807292001.29> | $D<"$NNG"> _V<"NN generation;Source;Version;Input;Parameters"> _B<"NNG/id;NNG/src;NNG/ver;NNG/in;NNG/parm"> _N<";;;;"> _S _D<"NN runid;NN source;NN version;NN input;NN parameters"> _M _O TS<199807292001.29> | $D<"$FPG"> _V<"FP generation;Source;Version;Input;Parameters"> _B<"FPG/id;FPG/src;FPG/ver;FPG/in;FPG/parm"> _N<";;;;"> _S _D<"Identifier for a set of fingerprints;Program name that generated the fingerprints;FP-Generation program's version;Type of input (e.g. TDT file);parameters to the FP generation program"> _M _O TS<199807292001.29> | $D _V<"Solvent; Solvent/Ref"> _B<"Solv;Solv/ref"> _N<"USMILESANY;INDIRECT $ISOL"> _P<"*;*"> _S _M _O TS<199807292001.29> | $D _V _B _P<*> _S _D _M _O TS<199807292001.29> | $D _V _B _P<*> _S _D _M _O TS<199807292001.29> | $D _V _B _N _P<*> _S _D _M _O TS<199807292001.29> | $D<"$D3D"> _V<"Conformation;Name;3D-coords;Source;Comment"> _B<"Conformation;Name;3D-coords;Source;Comment"> _N<"NUMERIC READONLY;;NUMERIC D3D;"> _P<"*;*;;;"> _S<"Conformation identifier (hashcode);Conformation's name;3D coordinates;Comment"> _D<"Standardized conformation identifier (machine generated);Short, descriptive conformation name;(X,Y,Z) coordinates in a standardized orientation, stored as triplets in SMILES order;Original source of the coordinates;Comments about this conformation"> _C<"Note that the normalization D3D is special: in addition to being having the effect of ""SMILES_NTUPLE 3"", it modifies the ""hashcode"" identifier two fields before the field in which it occurs. Do not add any other normalization to the first or third fields of $D3D."> _M TS<199807292001.29> | $D _V _B _P<*> _S<(slash)NAM datatype > _D _N _M TS<199807292001.29> | $D _V<"CMR;Error level;Version"> _B<"CMR;CMR/err;CMR/ver"> _N<"NUMERIC;INDIRECT $I;"> _P<"*;*;"> _S _D<"Estimate of the polarizability by CMR algorithm;Error level, 0=OK;Version of CLOGP which computed estimate"> _M _O TS<199807292001.30> | $D _V _B _N _S