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rdkit/Python/Dbase/testData/RDTests.sqlite

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BEGIN TRANSACTION;
CREATE TABLE basic_2class (
id character varying(5),
val double precision,
act integer
);
INSERT INTO "basic_2class" VALUES('id-1',1.0,0);
INSERT INTO "basic_2class" VALUES('id-2',23.0,1);
INSERT INTO "basic_2class" VALUES('id-3',4.0,0);
INSERT INTO "basic_2class" VALUES('id-4',6.0,1);
INSERT INTO "basic_2class" VALUES('id-5',321.0,0);
INSERT INTO "basic_2class" VALUES('id-6',885.0,1);
INSERT INTO "basic_2class" VALUES('id-7',252.0,0);
INSERT INTO "basic_2class" VALUES('id-8',1351.1,1);
INSERT INTO "basic_2class" VALUES('id-9',3215.0,0);
INSERT INTO "basic_2class" VALUES('id-10',2585.0,1);
INSERT INTO "basic_2class" VALUES('id-11',55.0,0);
INSERT INTO "basic_2class" VALUES('id-12',12.0,1);
CREATE TABLE bit_ensemble_test (
id character varying(10),
bit_1 smallint,
bit_3 smallint,
bit_4 smallint,
act integer
);
INSERT INTO "bit_ensemble_test" VALUES('foo',0,0,0,1);
INSERT INTO "bit_ensemble_test" VALUES('foo',1,1,0,1);
INSERT INTO "bit_ensemble_test" VALUES('foo',1,0,1,1);
INSERT INTO "bit_ensemble_test" VALUES('foo',1,0,1,1);
CREATE TABLE ferro_noquant (
compound character varying(7),
elconc double precision,
atvol double precision,
has3d integer,
has4d integer,
has5d integer,
max_ded double precision,
isferromagnetic integer
);
INSERT INTO "ferro_noquant" VALUES('FeCo',0.734059888337,11.579436685,1,0,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Ni',0.917132325319,10.903552,1,0,0,1.89935600758,1);
INSERT INTO "ferro_noquant" VALUES('Fe',0.676821728076,11.8199515,1,0,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('AlFe3',0.55352822994,12.1945,1,0,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Mn',0.592219012066,11.8199515,1,0,0,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('FeNi3',0.847581242231,11.2083650825,1,0,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe3Pd',0.610901434436,13.9138648575,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('HfV2',0.139474782705,33.458855975,1,0,1,2.28774404526,0);
INSERT INTO "ferro_noquant" VALUES('Pd',0.679533993934,14.71596725,0,1,0,0.0,0);
INSERT INTO "ferro_noquant" VALUES('FePt3',0.654602335855,14.5126277125,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('CrPt3',0.619669341609,14.523874905,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('Fe3Pt',0.655167614325,12.97377925,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Cr3Rh',0.528844066155,12.76368675,1,1,0,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('Pt',0.66405154315,15.059072,0,0,1,0.708856999874,0);
INSERT INTO "ferro_noquant" VALUES('Cr3Ir',0.525127756509,12.8540148875,1,0,1,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('V',0.363060641874,13.771804,1,0,0,2.28774404526,0);
INSERT INTO "ferro_noquant" VALUES('Cr3Ru',0.507626409314,12.80469235,1,1,0,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Co2Nb',0.295973106247,25.9032544,1,1,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('CoTi2',0.223081584245,25.4017680833,1,0,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Cr3Os',0.506002525507,12.8457856875,1,0,1,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('CoTi',0.483896935837,13.43261244,1,0,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Nb',0.278264741075,17.9685,0,1,0,2.32224798203,0);
INSERT INTO "ferro_noquant" VALUES('Cr3Pt',0.537319075144,13.027640975,1,0,1,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Cr2Nb',0.202560378073,27.9751979167,1,1,0,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Rh',0.656072313748,13.718,0,1,0,1.34492301941,0);
INSERT INTO "ferro_noquant" VALUES('IrTi3',0.334192112374,15.7095269625,1,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('Ta',0.27575031592,18.1323455,0,0,1,1.56566202641,0);
INSERT INTO "ferro_noquant" VALUES('CoZr',0.398968508292,16.29201269,1,1,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Co2Y',0.223929923609,31.2597793417,1,1,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Cr2Ta',0.20160161711,28.1082401417,1,0,1,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Ir2Sc',0.211811319911,33.0482809083,1,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('CoHf',0.410425114374,15.83723747,1,0,1,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Ir2Zr',0.220813826304,33.210480775,0,1,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('Ir',0.635782877604,14.155776,0,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('IrNb3',0.354710173223,16.9152182625,0,1,1,2.32224798203,0);
INSERT INTO "ferro_noquant" VALUES('IrV3',0.437299330113,13.7205789875,1,0,1,2.28774404526,0);
INSERT INTO "ferro_noquant" VALUES('IrZr',0.355888707002,18.264136715,0,1,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('CoV3',0.469782020722,12.7718808625,1,0,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('HfRh3',0.518200999109,14.9555867575,0,1,1,1.34492301941,0);
INSERT INTO "ferro_noquant" VALUES('HfIr3',0.512284018996,15.128326695,0,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('HfTc',0.314593269655,17.4828915,0,1,1,2.99570298195,0);
INSERT INTO "ferro_noquant" VALUES('HfPt',0.415451631385,16.8491335,0,0,1,1.00957000256,0);
INSERT INTO "ferro_noquant" VALUES('Ir3Ti',0.545346664721,14.2111440325,1,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('Cr',0.502346965021,11.943936,1,0,0,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('HfNi2',0.291468422875,27.4472271167,1,0,1,1.89935600758,0);
INSERT INTO "ferro_noquant" VALUES('Mo',0.38392782157,15.6279375,0,1,0,2.92410993576,0);
INSERT INTO "ferro_noquant" VALUES('Cr2Zr',0.170400540374,31.2988052833,1,1,0,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Ir2Y',0.197054630259,35.5231439667,0,1,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('Cr2Hf',0.175826907904,30.332862,1,0,1,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('Ir3V',0.577685281306,13.8483708325,1,0,1,2.28774404526,0);
INSERT INTO "ferro_noquant" VALUES('HfMo2',0.14900548029,35.7928669667,0,1,1,2.92410993576,0);
INSERT INTO "ferro_noquant" VALUES('Cr2Ti',0.190316268905,28.023528225,1,0,0,3.67481803894,0);
INSERT INTO "ferro_noquant" VALUES('CoSc',0.385761868518,15.553636815,1,0,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('W',0.380294459465,15.777248,0,0,1,2.13846206665,0);
INSERT INTO "ferro_noquant" VALUES('HfW2',0.146370867336,36.43712325,0,0,1,2.13846206665,0);
INSERT INTO "ferro_noquant" VALUES('IrY',0.305312436393,19.652,0,1,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('Ir3Nb',0.542371383308,14.75004074,0,1,1,2.32224798203,0);
INSERT INTO "ferro_noquant" VALUES('Ir3Ta',0.545307648931,14.670617615,0,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('HfRu',0.357760253062,16.771007815,0,1,1,1.89930105209,0);
INSERT INTO "ferro_noquant" VALUES('IrSc',0.364158701622,16.47633291,1,0,1,1.65175902843,0);
INSERT INTO "ferro_noquant" VALUES('HfOs',0.353141211025,16.99037046,0,0,1,2.19160604477,0);
INSERT INTO "ferro_noquant" VALUES('CoPt',0.711237553343,13.357,1,0,1,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('MnNi',0.715485369808,11.88004725,1,0,0,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('MnPd',0.57281499373,14.8389970462,1,1,0,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('MnPt',0.579019073569,14.68,1,0,1,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('NiPt',0.762940221016,13.1071868078,1,0,1,1.89935600758,1);
INSERT INTO "ferro_noquant" VALUES('CoPt3',0.693630451435,14.0564762977,1,0,1,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('Cr3Pt',0.52048373619,13.4490273437,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('CrPt3',0.619669341641,14.5238749043,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('FePt',0.63528643082,14.1668380803,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Mn3Pt',0.550484678757,14.0785026343,1,0,1,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('MnNi3',0.797682514859,11.5960922143,1,0,0,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('MnPt3',0.627116911982,14.7500407392,1,0,1,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('Cr4Pt',0.521967101489,13.027640977,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('FeRh',0.636606657779,13.3520438345,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Co3Pt',0.749745284698,12.337523408,1,0,1,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('Co4Os',0.773638394777,11.37482325,1,0,1,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('Co4Ru',0.767173483555,11.470678,1,1,0,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('CoRh',0.728289934974,12.35771575,1,1,0,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('CrPt',0.529327190925,15.113525504,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('CrPt4',0.631970074197,14.557651344,1,0,1,3.67481803894,1);
INSERT INTO "ferro_noquant" VALUES('Fe13Pd7',0.641773222364,13.5561904063,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe13Pt7',0.644834950054,13.4918245347,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe3Pt17',0.657625302294,14.7500407392,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe3Rh7',0.648586371291,13.4137878702,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('FePd26',0.675906847437,14.6853460112,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Mn2Pt3',0.59614900293,14.761410246,1,0,1,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('MnPd3',0.692173333021,13.3637046657,1,1,0,4.20857000351,1);
INSERT INTO "ferro_noquant" VALUES('NiPd',0.752482590563,13.289344,1,1,0,1.89935600758,1);
INSERT INTO "ferro_noquant" VALUES('NiRh',0.759710124228,12.5047695128,1,1,0,1.89935600758,0);
INSERT INTO "ferro_noquant" VALUES('Fe2Hf',0.46150987372,14.4453391927,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe2Zr',0.449503092939,14.8311919793,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Co3Ir',0.750380223096,11.9939195131,1,0,1,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('Co3Ir7',0.744357269808,12.0909680943,1,0,1,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Co3Rh',0.750380223096,11.9939195131,1,1,0,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('Co4Rh',0.772980027292,11.6432503845,1,1,0,2.7561609745,1);
INSERT INTO "ferro_noquant" VALUES('CoIr',0.720410936244,12.4928697598,1,0,1,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('CoOs',0.680645456475,12.4881462429,1,0,1,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('CoRu',0.697198731059,12.1916458269,1,1,0,2.7561609745,0);
INSERT INTO "ferro_noquant" VALUES('Fe16Rh',0.668851387723,12.0487505556,1,1,0,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe32Pt',0.672765581933,11.9812996935,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe9Pt',0.662584205604,12.3757854936,1,0,1,3.53454303741,1);
INSERT INTO "ferro_noquant" VALUES('Fe9Rh',0.664715105171,12.1856716313,1,1,0,3.53454303741,1);
CREATE TABLE ferro_noquant_realact (
compound character varying(7),
elconc double precision,
atvol double precision,
has3d integer,
has4d integer,
has5d integer,
max_ded double precision,
isferromagnetic double precision
);
INSERT INTO "ferro_noquant_realact" VALUES('FeCo',0.734059888337,11.579436685,1,0,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ni',0.917132325319,10.903552,1,0,0,1.89935600758,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe',0.676821728076,11.8199515,1,0,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('AlFe3',0.55352822994,12.1945,1,0,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Mn',0.592219012066,11.8199515,1,0,0,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('FeNi3',0.847581242231,11.2083650825,1,0,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe3Pd',0.610901434436,13.9138648575,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfV2',0.139474782705,33.458855975,1,0,1,2.28774404526,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Pd',0.679533993934,14.71596725,0,1,0,0.0,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('FePt3',0.654602335855,14.5126277125,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CrPt3',0.619669341609,14.523874905,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe3Pt',0.655167614325,12.97377925,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Rh',0.528844066155,12.76368675,1,1,0,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Pt',0.66405154315,15.059072,0,0,1,0.708856999874,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Ir',0.525127756509,12.8540148875,1,0,1,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('V',0.363060641874,13.771804,1,0,0,2.28774404526,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Ru',0.507626409314,12.80469235,1,1,0,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co2Nb',0.295973106247,25.9032544,1,1,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoTi2',0.223081584245,25.4017680833,1,0,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Os',0.506002525507,12.8457856875,1,0,1,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoTi',0.483896935837,13.43261244,1,0,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Nb',0.278264741075,17.9685,0,1,0,2.32224798203,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Pt',0.537319075144,13.027640975,1,0,1,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr2Nb',0.202560378073,27.9751979167,1,1,0,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Rh',0.656072313748,13.718,0,1,0,1.34492301941,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrTi3',0.334192112374,15.7095269625,1,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ta',0.27575031592,18.1323455,0,0,1,1.56566202641,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoZr',0.398968508292,16.29201269,1,1,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co2Y',0.223929923609,31.2597793417,1,1,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr2Ta',0.20160161711,28.1082401417,1,0,1,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir2Sc',0.211811319911,33.0482809083,1,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoHf',0.410425114374,15.83723747,1,0,1,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir2Zr',0.220813826304,33.210480775,0,1,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir',0.635782877604,14.155776,0,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrNb3',0.354710173223,16.9152182625,0,1,1,2.32224798203,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrV3',0.437299330113,13.7205789875,1,0,1,2.28774404526,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrZr',0.355888707002,18.264136715,0,1,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoV3',0.469782020722,12.7718808625,1,0,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfRh3',0.518200999109,14.9555867575,0,1,1,1.34492301941,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfIr3',0.512284018996,15.128326695,0,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfTc',0.314593269655,17.4828915,0,1,1,2.99570298195,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfPt',0.415451631385,16.8491335,0,0,1,1.00957000256,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir3Ti',0.545346664721,14.2111440325,1,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr',0.502346965021,11.943936,1,0,0,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfNi2',0.291468422875,27.4472271167,1,0,1,1.89935600758,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Mo',0.38392782157,15.6279375,0,1,0,2.92410993576,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr2Zr',0.170400540374,31.2988052833,1,1,0,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir2Y',0.197054630259,35.5231439667,0,1,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr2Hf',0.175826907904,30.332862,1,0,1,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir3V',0.577685281306,13.8483708325,1,0,1,2.28774404526,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfMo2',0.14900548029,35.7928669667,0,1,1,2.92410993576,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr2Ti',0.190316268905,28.023528225,1,0,0,3.67481803894,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoSc',0.385761868518,15.553636815,1,0,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('W',0.380294459465,15.777248,0,0,1,2.13846206665,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfW2',0.146370867336,36.43712325,0,0,1,2.13846206665,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrY',0.305312436393,19.652,0,1,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir3Nb',0.542371383308,14.75004074,0,1,1,2.32224798203,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Ir3Ta',0.545307648931,14.670617615,0,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfRu',0.357760253062,16.771007815,0,1,1,1.89930105209,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('IrSc',0.364158701622,16.47633291,1,0,1,1.65175902843,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('HfOs',0.353141211025,16.99037046,0,0,1,2.19160604477,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoPt',0.711237553343,13.357,1,0,1,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnNi',0.715485369808,11.88004725,1,0,0,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnPd',0.57281499373,14.8389970462,1,1,0,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnPt',0.579019073569,14.68,1,0,1,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('NiPt',0.762940221016,13.1071868078,1,0,1,1.89935600758,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoPt3',0.693630451435,14.0564762977,1,0,1,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr3Pt',0.52048373619,13.4490273437,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CrPt3',0.619669341641,14.5238749043,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('FePt',0.63528643082,14.1668380803,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Mn3Pt',0.550484678757,14.0785026343,1,0,1,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnNi3',0.797682514859,11.5960922143,1,0,0,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnPt3',0.627116911982,14.7500407392,1,0,1,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Cr4Pt',0.521967101489,13.027640977,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('FeRh',0.636606657779,13.3520438345,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co3Pt',0.749745284698,12.337523408,1,0,1,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co4Os',0.773638394777,11.37482325,1,0,1,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co4Ru',0.767173483555,11.470678,1,1,0,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoRh',0.728289934974,12.35771575,1,1,0,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CrPt',0.529327190925,15.113525504,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CrPt4',0.631970074197,14.557651344,1,0,1,3.67481803894,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe13Pd7',0.641773222364,13.5561904063,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe13Pt7',0.644834950054,13.4918245347,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe3Pt17',0.657625302294,14.7500407392,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe3Rh7',0.648586371291,13.4137878702,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('FePd26',0.675906847437,14.6853460112,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Mn2Pt3',0.59614900293,14.761410246,1,0,1,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('MnPd3',0.692173333021,13.3637046657,1,1,0,4.20857000351,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('NiPd',0.752482590563,13.289344,1,1,0,1.89935600758,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('NiRh',0.759710124228,12.5047695128,1,1,0,1.89935600758,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe2Hf',0.46150987372,14.4453391927,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe2Zr',0.449503092939,14.8311919793,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co3Ir',0.750380223096,11.9939195131,1,0,1,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co3Ir7',0.744357269808,12.0909680943,1,0,1,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co3Rh',0.750380223096,11.9939195131,1,1,0,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Co4Rh',0.772980027292,11.6432503845,1,1,0,2.7561609745,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoIr',0.720410936244,12.4928697598,1,0,1,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoOs',0.680645456475,12.4881462429,1,0,1,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('CoRu',0.697198731059,12.1916458269,1,1,0,2.7561609745,0.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe16Rh',0.668851387723,12.0487505556,1,1,0,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe32Pt',0.672765581933,11.9812996935,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe9Pt',0.662584205604,12.3757854936,1,0,1,3.53454303741,1.1);
INSERT INTO "ferro_noquant_realact" VALUES('Fe9Rh',0.664715105171,12.1856716313,1,1,0,3.53454303741,1.1);
CREATE TABLE ferro_quant (
compound character varying(7),
max_ded integer,
elconc integer,
atvol integer,
has3d integer,
has4d integer,
has5d integer,
isferromagnetic integer
);
INSERT INTO "ferro_quant" VALUES('AlFe3',2,1,1,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('Co2Nb',1,0,2,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Co2Y',1,0,2,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Co3Ir',1,2,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Co3Ir7',1,2,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Co3Pt',1,2,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Co3Rh',1,2,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Co4Os',1,2,0,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Co4Rh',1,2,0,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Co4Ru',1,2,0,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('CoHf',1,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('CoIr',1,1,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('CoOs',1,1,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('CoRu',1,1,1,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('CoSc',1,0,2,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('CoTi',1,0,1,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('CoTi2',1,0,2,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('CoV3',1,0,1,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('CoZr',1,0,2,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Cr',2,0,1,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('Cr2Hf',2,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Cr2Nb',2,0,2,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Cr2Ta',2,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Cr2Ti',2,0,2,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('Cr2Zr',2,0,2,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Cr3Ir',2,0,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Cr3Os',2,0,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Cr3Pt',2,0,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Cr3Rh',2,0,1,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Cr3Ru',2,0,1,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('CrPt3',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('CrPt3',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('CrPt4',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe',2,1,1,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('Fe13Pd7',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Fe13Pt7',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe16Rh',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Fe32Pt',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe3Pd',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Fe3Pt',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe3Pt17',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe3Rh7',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('Fe9Pt',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Fe9Rh',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('FeCo',2,2,0,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('FeNi3',2,2,0,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('FePd26',2,1,2,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('FePt',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('FePt3',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('FeRh',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('HfIr3',0,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('HfMo2',1,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('HfNi2',1,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('HfOs',1,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('HfPt',0,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('HfRh3',0,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('HfRu',1,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('HfTc',1,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('HfV2',1,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('HfW2',1,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('Ir',0,1,1,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('Ir2Sc',0,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Ir2Y',0,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('Ir2Zr',0,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('Ir3Nb',1,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('Ir3Ta',0,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('Ir3Ti',0,0,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('Ir3V',1,1,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('IrNb3',1,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('IrSc',0,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('IrTi3',0,0,2,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('IrV3',1,0,1,1,0,1,0);
INSERT INTO "ferro_quant" VALUES('IrY',0,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('IrZr',0,0,2,0,1,1,0);
INSERT INTO "ferro_quant" VALUES('Mn',2,1,1,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('Mn2Pt3',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Mn3Pt',2,1,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('MnNi',2,1,1,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('MnNi3',2,2,0,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('MnPd',2,1,2,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('MnPd3',2,1,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('MnPt',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('MnPt3',2,1,2,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('Mo',1,0,2,0,1,0,0);
INSERT INTO "ferro_quant" VALUES('Nb',1,0,2,0,1,0,0);
INSERT INTO "ferro_quant" VALUES('Ni',1,2,0,1,0,0,1);
INSERT INTO "ferro_quant" VALUES('NiPd',1,2,1,1,1,0,1);
INSERT INTO "ferro_quant" VALUES('NiPt',1,2,1,1,0,1,1);
INSERT INTO "ferro_quant" VALUES('NiRh',1,2,1,1,1,0,0);
INSERT INTO "ferro_quant" VALUES('Pd',0,1,2,0,1,0,0);
INSERT INTO "ferro_quant" VALUES('Pt',0,1,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('Rh',0,1,1,0,1,0,0);
INSERT INTO "ferro_quant" VALUES('Ta',0,0,2,0,0,1,0);
INSERT INTO "ferro_quant" VALUES('V',1,0,1,1,0,0,0);
INSERT INTO "ferro_quant" VALUES('W',1,0,2,0,0,1,0);
CREATE TABLE float_2class (
id character varying(5),
val double precision,
act double precision
);
INSERT INTO "float_2class" VALUES('id-1',1.0,-0.1);
INSERT INTO "float_2class" VALUES('id-2',23.0,1.2);
INSERT INTO "float_2class" VALUES('id-3',4.0,0.5);
INSERT INTO "float_2class" VALUES('id-4',6.0,1.01);
INSERT INTO "float_2class" VALUES('id-5',321.0,0.7);
INSERT INTO "float_2class" VALUES('id-6',885.0,2.0);
INSERT INTO "float_2class" VALUES('id-7',252.0,0.0);
INSERT INTO "float_2class" VALUES('id-8',1351.1,1.1);
INSERT INTO "float_2class" VALUES('id-9',3215.0,-0.9);
INSERT INTO "float_2class" VALUES('id-10',2585.0,1.3);
INSERT INTO "float_2class" VALUES('id-11',55.0,0.9);
INSERT INTO "float_2class" VALUES('id-12',12.0,3.0);
CREATE TABLE simple_mols (
smiles character varying(15),
id character varying(7)
);
INSERT INTO "simple_mols" VALUES('COC','ether-1');
INSERT INTO "simple_mols" VALUES('CC(=O)O','acid-1');
INSERT INTO "simple_mols" VALUES('c1ccccc1','arom-1');
INSERT INTO "simple_mols" VALUES('CCOC','ether-2');
INSERT INTO "simple_mols" VALUES('CCC(=O)O','acid-2');
INSERT INTO "simple_mols" VALUES('Cc1ccccc1','arom-2');
INSERT INTO "simple_mols" VALUES('CCOCC','ether-3');
INSERT INTO "simple_mols" VALUES('CC(C)C(=O)O','acid-3');
INSERT INTO "simple_mols" VALUES('Cc1cc(C)ccc1','arom-3');
INSERT INTO "simple_mols" VALUES('CCCOCC','ether-4');
INSERT INTO "simple_mols" VALUES('CCC(C)C(=O)O','acid-4');
INSERT INTO "simple_mols" VALUES('Cc1cc(C)cc(C)c1','arom-4');
CREATE TABLE simple_mols_fps (
id character varying(7) NOT NULL,
autofragmentfp bytea
);
INSERT INTO "simple_mols_fps" VALUES('ether-1','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U\025\340\377\377\377\200\000\000\000\010\000\000\000@6\022\002\014\036\016,\002tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('acid-1','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U&\340\377\377\377\200\000\000\000\031\000\000\000\002(\000\006\006\000\014\004\000\000\012\012\006\000\022\020\004\026\006\000\004\020\010\000\000\020tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('arom-1','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U$\340\377\377\377\200\000\000\000\027\000\000\000:\020\000\010\000\024\026\006\010\002\014\002\000\006\010\014\012\000\000\004\004\000\010\004tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('ether-2','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U \340\377\377\377\200\000\000\000\023\000\000\000(\026\016\002\000\014\022\022\000\000\014\004\000\026\010\004\036\002\010\002tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('acid-2','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U2\340\377\377\377\200\000\000\000%\000\000\000\002\010\022\006\002\000\006\004\000\000\006\004\004\000\000\012\010\000\006\000\022\000\016\004\020\002\000\002\002\000\004\004\000\010\010\000\000\020tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('arom-2','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(UF\340\377\377\377\200\000\000\0009\000\000\000\002\000\016\016\000\006\012\010\000\002\000\000\006\000\000\000\004\000\000\000\006\000\016\000\000\000\004\000\000\004\000\002\002\002\002\000\002\000\000\000\002\010\004\000\000\002\000\010\000\000\000\002\000\002\000\010\000\002tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('ether-3','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U"\340\377\377\377\200\000\000\000\025\000\000\000\030\016\026\016\002\000\014\022\022\000\000\014\004\000\026\010\000\002\036\002\010\002tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('acid-3','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U<\340\377\377\377\200\000\000\000/\000\000\000\002\010\022\006\002\000\000\004\004\000\000\002\002\004\000\002\000\000\000\010\004\002\000\000\004\000\016\002\000\016\004\020\002\000\002\002\000\004\004\000\004\002\010\000\000\010\000\004tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('arom-3','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(Ud\340\377\377\377\000\001\000\000W\000\000\000\004\016\030\000\002\004\006\000\004\000\000\006\000\002\004\000\014\016\000\000\002\000\000\000\000\004\004\012\000\002\004\014\004\000\000\002\000\010\000\002\002\000\016\000\004\014\022\000\004\000\016\006\004\010\002\002\006\000\000\004\016\002\002\004\000\006\000\000\000\002\002\002\004\000\000\000\002\020\000\000\000\000\004\006\012\000\010\004tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('ether-4','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(U,\340\377\377\377\200\000\000\000\037\000\000\000\000\012\012\006\006\014\010\016\002\000\014\010\010\020\000\000\000\014\004\000\020\002\000\002\004\000\002\004\030\002\010\002tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('acid-4','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(UO\340\377\377\377\200\000\000\000B\000\000\000\000\000\010\000\004\012\000\004\002\000\000\004\002\000\000\000\002\000\000\000\002\000\002\000\000\000\004\002\004\002\000\000\002\000\000\002\002\000\004\002\000\010\000\002\004\000\002\012\002\000\002\002\000\004\004\000\002\000\000\000\010\000\000\004\002\000\004tRq\002.');
INSERT INTO "simple_mols_fps" VALUES('arom-4','cDataStructs.cDataStructs\012ExplicitBitVect\012q\001(Uh\340\377\377\377\000\001\000\000[\000\000\000\004\016\030\000\002\004\006\000\004\000\000\006\000\002\004\000\014\016\000\000\002\000\000\000\000\004\004\012\000\002\004\014\004\000\000\002\000\010\000\002\002\000\016\000\004\014\022\000\000\002\000\016\006\004\010\002\002\006\000\000\004\016\002\002\004\000\006\000\000\000\002\000\000\002\004\000\000\000\002\004\012\000\000\000\000\004\000\004\012\000\010\004tRq\002.');
CREATE TABLE simple_mols1 (
smiles character varying(15),
id character varying(7)
);
INSERT INTO "simple_mols1" VALUES('COC','ether-1');
INSERT INTO "simple_mols1" VALUES('CC(=O)O','acid-1');
INSERT INTO "simple_mols1" VALUES('c1ccccc1','arom-1');
INSERT INTO "simple_mols1" VALUES('CCOC','ether-2');
INSERT INTO "simple_mols1" VALUES('CCC(=O)O','acid-2');
INSERT INTO "simple_mols1" VALUES('Cc1ccccc1','arom-2');
INSERT INTO "simple_mols1" VALUES('CCOCC','ether-3');
INSERT INTO "simple_mols1" VALUES('CC(C)C(=O)O','acid-3');
INSERT INTO "simple_mols1" VALUES('Cc1cc(C)ccc1','arom-3');
INSERT INTO "simple_mols1" VALUES('CCCOCC','ether-4');
INSERT INTO "simple_mols1" VALUES('CCC(C)C(=O)O','acid-4');
INSERT INTO "simple_mols1" VALUES('Cc1cc(C)cc(C)c1','arom-4');
CREATE TABLE simple_mols1_fp (
id character varying(10),
autofragmentfp bytea
);
INSERT INTO "simple_mols1_fp" VALUES('ether-1','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\x08\\x00\\x00\\x00i\\x00y\\x02\\xdd\\x0c>\\xf1\\x036\\x02\\xda\\xca''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('acid-1','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\x1b\\x00\\x00\\x00\\x1a1\\x00\\xf4\\xa5\\x00Y\\x01\\x04\\x0c\\x1e\\x19\\x01\\xa8Z\\x92\\x1e@~\\xde\\x92\\x02\\x02\\xd8\\x84DN}\\x006^\\x8a\\xbe''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('arom-1','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\x18\\x00\\x00\\x00"4\\x18\\x18\\xe8\\xcd\\x00d\\x045\\x02\\x1a\\x0c.\\xe5\\x02Xp$\\xb2\\xc9\\x02\\x05\\x00\\x0e\\x90\\x16.j\\xc9\\x00''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('ether-2','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\x14\\x00\\x00\\x00i\\x00y\\x02\\n\\xdd\\x04\\t\\x00b\\x90\\x86\\xd6\\x96\\x02:\\xd1\\x00\\x1d\\x016\\x02\\xda\\n*h(''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('acid-2','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00+\\x00\\x00\\x00\\n\\x0e1\\x00|N&\\x06\\x95\\x00Y\\x01\\x04\\x0c\\x1eZa\\x00\\x10\\x96Z6Z\\x08\\x14@v\\x06\\n\\xd2h(\\x02\\x02`v\\x06|D0\\x1cq\\x00\\x046^\\x0c|\\xbe''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('arom-2','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00J\\x00\\x00\\x00"0\\x02\\x18\\x188R:\\x1e0\\x02<lL66$\\x06\\x04\\nJ>\\xba\\x8c8\\x10\\x08\\x0c.\\\\\\x1a\\x96Z.$\\x02\\xaaH\\x0eR\\x06\\x14$f\\x108D(\\x04\\x18"\\x18"d"\\x1a\\xb0\\x1aJ\\x8c(\\n\\x02\\x08\\x04\\x80\\x16\\x16\\x16j\\x08\\x9a\\x98\\x18\\n''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('ether-3','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\x18\\x00\\x00\\x00i\\x009\\x02\\x1e\\n)\\x04X\\t\\x00b\\x1at\\x862\\xa2\\x96\\x02:\\xd1\\x00\\x1d\\x016\\x02\\xda\\n*h(''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('acid-3','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00;\\x00\\x00\\x00\\n\\x0e\\x98~|\\x0c4\\n&\\x06d\\xd6\\x06\\x04\\xb6\\x1a\\xb4"\\x04\\x0c\\x1eZ\\xb4P(\\x10\\x96Z6Z\\x08\\x14@v\\x06\\n \\x10\\x9eh(\\x02\\x02`v\\x06|D0\\x1cFP\\x9e\\x046>\\x1e\\x0c|\\xbe''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('arom-3','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00i\\x00\\x00\\x00"\\x0c"\\x02\\x18\\x188R:\\x0e\\x0e\\n\\x10\\x12\\x02<l(\\x12\\x0e\\x1c\\x18\\x1e\\x16\\x04\\x10\\x0c\\x06\\x04\\n\\n>>rF.\\\\8\\x10\\x08\\x06\\x02\\x00$\\x08\\\\\\x1a\\x96Z.$\\x02\\xaa6\\x10\\x00\\x0cR\\x06\\x00\\x12$d\\x00\\x108\\x14\\x0c \\x1a\\x0c\\x04\\n\\x0c"\\x18"\\x14N"\\x1a\\xb0\\x1aJ,\\nR(\\n\\x02\\x08\\x04D"\\x16\\x16\\x16\\x16j\\x08\\x9a\\x04\\x18x\\x18\\n''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('ether-4','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00\\''\\x00\\x00\\x00\\xa4\\x8e|N\\x9d\\x00\\x1e\\nJ\\xe1\\x01\\xd6X\\t\\x00b\\x1a\\x1cVv\\x0e2\\xa2h,\\x02::\\xb2x\\xa8\\xb8$\\x046\\x02hp\\n*h\\x00&''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('acid-4','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00[\\x00\\x00\\x00\\n\\x08\\x04\\x16\\x80~|\\x0c\\x14\\x08\\x14\\n&\\x06d\\xd6\\x06\\x04 \\x80\\x12\\x1a\\x94\\x1e"\\x04\\x0c\\x02\\x1aZp\\x16*"\\x10\\x12\\x06(\\x10\\x966\\x08\\x186\\x1a>\\x08\\x14\\x00\\x04\\x1e\\x18T \\x06\\n \\x10PL24(\\x02\\x02\\\\\\x02r\\x02\\x06\\x12hD0\\x1c\\x00DP\\x0e\\x8e\\x046\\x18$\\x1e\\x0c,N\\x04&b,''\012tRp2\012.');
INSERT INTO "simple_mols1_fp" VALUES('arom-4','cDataStructs.cDataStructs\012ExplicitBitVect\012p1\012(S''\\xe0\\xff\\xff\\xff\\x00\\x08\\x00\\x00m\\x00\\x00\\x00"\\x0c"\\x02\\x18\\x188((:\\x0e\\x0e\\n\\x10\\x12\\x02<l(\\x12\\x0e\\x1c\\x18\\x1e\\x16\\x04\\x10\\x0c\\x06\\x04\\n\\n>>rF.\\\\8\\x10\\x08\\x06\\x02\\x00$\\x08\\\\\\x1a\\x96Z.$\\x02XP6\\x10\\x00\\x0cB\\x0e\\x06\\x00\\x12$d\\x00\\x108\\x14\\x0c \\x1a\\x0c\\x04\\n\\x0c"\\x18"\\x14N"\\x1a\\xb0\\x1aJ\\x0c\\x1e\\nR(\\n\\x02\\x08\\x04D"\\x16\\x16\\x16\\x16j\\x08\\x9a\\x04\\x18x\\x18\\n''\012tRp2\012.');
CREATE TABLE ten_elements (
id integer,
val integer
);
INSERT INTO "ten_elements" VALUES(0,11);
INSERT INTO "ten_elements" VALUES(2,21);
INSERT INTO "ten_elements" VALUES(4,31);
INSERT INTO "ten_elements" VALUES(6,41);
INSERT INTO "ten_elements" VALUES(8,51);
INSERT INTO "ten_elements" VALUES(10,61);
INSERT INTO "ten_elements" VALUES(12,71);
INSERT INTO "ten_elements" VALUES(14,81);
INSERT INTO "ten_elements" VALUES(16,91);
INSERT INTO "ten_elements" VALUES(18,101);
CREATE TABLE ten_elements_dups (
id integer,
val integer
);
INSERT INTO "ten_elements_dups" VALUES(0,11);
INSERT INTO "ten_elements_dups" VALUES(0,11);
INSERT INTO "ten_elements_dups" VALUES(2,21);
INSERT INTO "ten_elements_dups" VALUES(2,21);
INSERT INTO "ten_elements_dups" VALUES(4,31);
INSERT INTO "ten_elements_dups" VALUES(4,31);
INSERT INTO "ten_elements_dups" VALUES(6,41);
INSERT INTO "ten_elements_dups" VALUES(6,41);
INSERT INTO "ten_elements_dups" VALUES(8,51);
INSERT INTO "ten_elements_dups" VALUES(8,51);
INSERT INTO "ten_elements_dups" VALUES(10,61);
INSERT INTO "ten_elements_dups" VALUES(10,61);
INSERT INTO "ten_elements_dups" VALUES(12,71);
INSERT INTO "ten_elements_dups" VALUES(12,71);
INSERT INTO "ten_elements_dups" VALUES(14,81);
INSERT INTO "ten_elements_dups" VALUES(14,81);
INSERT INTO "ten_elements_dups" VALUES(16,91);
INSERT INTO "ten_elements_dups" VALUES(16,91);
INSERT INTO "ten_elements_dups" VALUES(18,101);
INSERT INTO "ten_elements_dups" VALUES(18,101);
CREATE TABLE fromtext (int_col integer,floatCol double precision,strCol varchar(4));
INSERT INTO "fromtext" VALUES(1,1.0,'1');
INSERT INTO "fromtext" VALUES(2,2.4,'1');
INSERT INTO "fromtext" VALUES(3,3.0,'fiib');
CREATE TABLE fromtext2 (int_col integer,floatCol double precision,strCol varchar(4));
INSERT INTO "fromtext2" VALUES(1,1.0,'1');
INSERT INTO "fromtext2" VALUES(2,2.4,'1');
INSERT INTO "fromtext2" VALUES(3,3.0,'fiib');
INSERT INTO "fromtext2" VALUES(4,NULL,'foo');
CREATE TABLE StorageTest (id varchar(32) not null primary key,label varchar(40),val int);
INSERT INTO "StorageTest" VALUES('RDCmpd-000-001-1','label1',1);
INSERT INTO "StorageTest" VALUES('RDCmpd-000-002-2','label2',1);
INSERT INTO "StorageTest" VALUES('RDCmpd-000-010-1','label10',1);
COMMIT;
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