$D<"$SMI">
_V<SMILES>
_B<SMILES>
_N<USMILES MAKEGRAPH>
_P<*>
_S<SMILES notation, primary identifier in the Daylight system>
_D<The uniquified SMILES notation is the primary key to data Thor databases.>
_M<System, Lookup, Common>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<ISM>
_V<Isomer>
_B<Isomer>
_N<ASMILES>
_P<*>
_S<Isomeric SMILES, not an identifier.>
_D<Uniquified Isomeric SMILES includes chirality, isomerism, and isotopism.>
_M<System, Common>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<"$TID">
_V<CRC table ID>
_B<Table ID>
_N<NUMERIC>
_P<!>
_S<Identifies entry in CRC table>
_D<Identifies precise source of data (entry in CRC table)>
_M<Lookup, Common>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<PCN>
_V<Local Name>
_B<Name>
_N<"AUTOGEN $NAM">
_P<*>
_S<Arbitrary local name>
_D<Arbitrary local name.  Typically only one per datatree, a `preferred' name.>
_M<System, Common>
|
$D<"$GRF">
_V<Graph>
_B<Graph>
_N<GRAPH READONLY>
_P<>
_S<SMILES of the oxidation-state-free molecular graph>
_D<SMILES of oxidation-state-free molecular graph, ambiguous among tautomers>
_M<System>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<SOL>
_V<"Solubility;Solvent;at Temp, C;Author(s);Citation">
_B<"Sol;Sol/solv;Sol/temp;Sol/auth;Sol/ref">
_N<"NUMERIC;INDIRECT $ISOLV;NUMERIC;INDIRECT $IAUTH;INDIRECT $ICITE;">
_P<"*;*;*;*;*">
_S<Solubility, grams per 100 grams of solvent>
_D<"Solubility, grams / 100 grams of solvent;Solvent;Temp, C;Authors;Citation">
_M<Physical Property, Measured, Common>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<"$NAM">
_V<Name>
_B<Name>
_N<WHITE0 UPCASE NOPUNCT>
_P<*>
_S<Standardized name for lookup purposes>
_D<Standardized name for lookup purposes, not intended to be a readable name.>
_M<System, Lookup, Common>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<"$ISOLV">
_V<"Ikey;Content">
_B<"Ikey;Content">
_S<Indirect key (used internally)>
_D<Indirect key, used for indirect Solvent data>
_M<System>
|
$D<"$IAUTH">
_V<"Ikey;Content">
_B<"Ikey;Content">
_S<Indirect key (used internally)>
_D<Indirect key, used for indirect Author(s) data>
_M<System>
|
$D<"$ICITE">
_V<"Ikey;Content">
_B<"Ikey;Content">
_S<Indirect key (used internally)>
_D<Indirect key, used for indirect Citation data>
_M<System>
|
$D<TS>
_V<Timestamp>
_B<Timestamp>
_N<READONLY>
_S<Time & date of last modification>
_D<Time & date of last THOR tree modification.  Clients can't change this.>
_M<System>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<FP>
_V<"Fingerprint;Orig nbits;Orig nbits set;Nbits;Nbits set;Version;ID">
_B<"FP;FP/obits;FP/oset;FP/nbits;FP/nset;FP/ver;FP/id">
_N<"BINARY;NUMERIC;NUMERIC;NUMERIC;NUMERIC;;">
_P<"*;*;*;*;*;*;*">
_S<"Fingerprint of molecule, used for high-speed screening and similarity;Original size;Original number of bits set;Folded size;Number of bitsset">
_D<"Bitmap of structural features for screening;Number of bits in bitmap before folding;Number of 1's in bitmap before folding;Number of bits in folded bitmap;Number of 1's in folded bitmap">
_M<System>
_O<Daylight Chemical Information Systems, Inc.>
|
$D<"$FPG">
_V<"FP generation;Source;Version;Input;Parameters">
_B<"FPG/id;FPG/src;FPG/ver;FPG/in;FPG/parm">
_N<";;;;">
_S<Fingerprint generation information>
_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<System>
_O<Daylight Chemical Information Systems, Inc.>
TS<199702042138.07>
|