{
 "cells": [
  {
   "cell_type": "markdown",
   "id": "721bc2e6",
   "metadata": {},
   "source": [
    "# Compounds"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "4c608526",
   "metadata": {},
   "source": [
    "## Knowns"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "f4a66b48",
   "metadata": {},
   "source": [
    "The following are possible value choices for known compounds in BinDiscover"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "737693c8",
   "metadata": {},
   "source": [
    "```\n",
    "compound_number\tcompound_name\tinchikey\n",
    "2\talanine\tQNAYBMKLOCPYGJ-REOHCLBHSA-N\n",
    "3\tvaline\tKZSNJWFQEVHDMF-BYPYZUCNSA-N\n",
    "4\tphosphate\tNBIIXXVUZAFLBC-UHFFFAOYSA-N\n",
    "5\tbeta-D-glucose\tWQZGKKKJIJFFOK-VFUOTHLCSA-N\n",
    "6\tglycine\tDHMQDGOQFOQNFH-UHFFFAOYSA-N\n",
    "8\tproline\tONIBWKKTOPOVIA-BYPYZUCNSA-N\n",
    "9\tleucine\tROHFNLRQFUQHCH-YFKPBYRVSA-N\n",
    "10\toxoproline\tODHCTXKNWHHXJC-VKHMYHEASA-N\n",
    "11\tpalmitic acid\tIPCSVZSSVZVIGE-UHFFFAOYSA-N\n",
    "12\tlysine\tKDXKERNSBIXSRK-YFKPBYRVSA-N\n",
    "13\tstearic acid\tQIQXTHQIDYTFRH-UHFFFAOYSA-N\n",
    "14\ttryptophan\tQIVBCDIJIAJPQS-VIFPVBQESA-N\n",
    "15\tisoleucine\tAGPKZVBTJJNPAG-WHFBIAKZSA-N\n",
    "16\ttyrosine\tOUYCCCASQSFEME-QMMMGPOBSA-N\n",
    "17\t1,5-anhydroglucitol\tMPCAJMNYNOGXPB-SLPGGIOYSA-N\n",
    "18\tglutamine\tZDXPYRJPNDTMRX-VKHMYHEASA-N\n",
    "19\tcholesterol\tHVYWMOMLDIMFJA-DPAQBDIFSA-N\n",
    "21\tfructose\tRFSUNEUAIZKAJO-ARQDHWQXSA-N\n",
    "23\turic acid\tLEHOTFFKMJEONL-UHFFFAOYSA-N\n",
    "25\tserine\tMTCFGRXMJLQNBG-REOHCLBHSA-N\n",
    "26\tthreonine\tAYFVYJQAPQTCCC-GBXIJSLDSA-N\n",
    "28\tglutamic acid\tWHUUTDBJXJRKMK-VKHMYHEASA-N\n",
    "29\taconitic acid\tGTZCVFVGUGFEME-IWQZZHSRSA-N\n",
    "30\tglycerol\tPEDCQBHIVMGVHV-UHFFFAOYSA-N\n",
    "31\tcreatinine\tDDRJAANPRJIHGJ-UHFFFAOYSA-N\n",
    "33\tphenylalanine\tCOLNVLDHVKWLRT-UHFFFAOYSA-N\n",
    "35\t2-aminobutyric acid\tQWCKQJZIFLGMSD-UHFFFAOYSA-N\n",
    "36\tbenzoic acid\tWPYMKLBDIGXBTP-UHFFFAOYSA-N\n",
    "40\t2-hydroxybutanoic acid\tAFENDNXGAFYKQO-UHFFFAOYSA-N\n",
    "43\toleic acid\tZQPPMHVWECSIRJ-KTKRTIGZSA-N\n",
    "45\tmethionine\tFFEARJCKVFRZRR-BYPYZUCNSA-N\n",
    "46\t3-hydroxybutyric acid\tWHBMMWSBFZVSSR-UHFFFAOYSA-N\n",
    "48\tglyceric acid\tRBNPOMFGQQGHHO-UHFFFAOYSA-N\n",
    "49\tlauric acid\tPOULHZVOKOAJMA-UHFFFAOYSA-N\n",
    "50\tpelargonic acid\tFBUKVWPVBMHYJY-UHFFFAOYSA-N\n",
    "65\tcysteine\tXUJNEKJLAYXESH-REOHCLBHSA-N\n",
    "66\tpyruvic acid\tLCTONWCANYUPML-UHFFFAOYSA-N\n",
    "69\tindole-3-acetate\tSEOVTRFCIGRIMH-UHFFFAOYSA-N\n",
    "70\tmannose\tWQZGKKKJIJFFOK-QTVWNMPRSA-N\n",
    "78\t2-ketoisocaproic acid\tBKAJNAXTPSGJCU-UHFFFAOYSA-N\n",
    "79\taspartic acid\tCKLJMWTZIZZHCS-REOHCLBHSA-N\n",
    "80\tlactic acid\tJVTAAEKCZFNVCJ-UHFFFAOYSA-N\n",
    "92\terythritol\tUNXHWFMMPAWVPI-ZXZARUISSA-N\n",
    "94\tcystine\tLEVWYRKDKASIDU-UHFFFAOYSA-N\n",
    "96\tpalmitoleic acid\tSECPZKHBENQXJG-FPLPWBNLSA-N\n",
    "97\ttrans-4-hydroxyproline\tPMMYEEVYMWASQN-DMTCNVIQSA-N\n",
    "100\ttocopherol alpha-\tGVJHHUAWPYXKBD-UHFFFAOYSA-N\n",
    "125\tadipic acid\tWNLRTRBMVRJNCN-UHFFFAOYSA-N\n",
    "127\tmyristic acid\tTUNFSRHWOTWDNC-UHFFFAOYSA-N\n",
    "131\talpha-D-Glucose\tWQZGKKKJIJFFOK-DVKNGEFBSA-N\n",
    "135\turea\tXSQUKJJJFZCRTK-UHFFFAOYSA-N\n",
    "139\thydroxylamine\tAVXURJPOCDRRFD-UHFFFAOYSA-N\n",
    "146\tasparagine\tDCXYFEDJOCDNAF-REOHCLBHSA-N\n",
    "148\tbeta-alanine\tUCMIRNVEIXFBKS-UHFFFAOYSA-N\n",
    "150\thistidine\tHNDVDQJCIGZPNO-YFKPBYRVSA-N\n",
    "161\tsuccinic acid\tKDYFGRWQOYBRFD-UHFFFAOYSA-N\n",
    "162\tsorbitol\tFBPFZTCFMRRESA-JGWLITMVSA-N\n",
    "165\tlinoleic acid\tOYHQOLUKZRVURQ-HZJYTTRNSA-N\n",
    "172\tthreonic acid\tJPIJQSOTBSSVTP-STHAYSLISA-N\n",
    "173\tsucrose\tCZMRCDWAGMRECN-UGDNZRGBSA-N\n",
    "231\txylose\tSRBFZHDQGSBBOR-UHFFFAOYSA-N\n",
    "233\tlyxitol\tHEBKCHPVOIAQTA-IMJSIDKUSA-N\n",
    "238\tascorbic acid\tCIWBSHSKHKDKBQ-JLAZNSOCSA-N\n",
    "255\thexitol\tFBPFZTCFMRRESA-UHFFFAOYSA-N\n",
    "281\tputrescine\tKIDHWZJUCRJVML-UHFFFAOYSA-N\n",
    "282\tpropane-1,3-diol\tYPFDHNVEDLHUCE-UHFFFAOYSA-N\n",
    "284\t5-methoxytryptamine\tJTEJPPKMYBDEMY-UHFFFAOYSA-N\n",
    "285\tnicotinic acid\tPVNIIMVLHYAWGP-UHFFFAOYSA-N\n",
    "286\tshikimic acid\tJXOHGGNKMLTUBP-HSUXUTPPSA-N\n",
    "288\tcitric acid\tKRKNYBCHXYNGOX-UHFFFAOYSA-N\n",
    "289\tserotonin\tQZAYGJVTTNCVMB-UHFFFAOYSA-N\n",
    "290\tadenosine\tOIRDTQYFTABQOQ-KQYNXXCUSA-N\n",
    "291\tarachidic acid\tVKOBVWXKNCXXDE-UHFFFAOYSA-N\n",
    "294\talpha-ketoglutarate\tKPGXRSRHYNQIFN-UHFFFAOYSA-N\n",
    "295\tchlorogenic acid\tCWVRJTMFETXNAD-JUHZACGLSA-N\n",
    "296\tglucose-6-phosphate\tNBSCHQHZLSJFNQ-UHFFFAOYSA-N\n",
    "305\t2-ketobutyric acid\tTYEYBOSBBBHJIV-UHFFFAOYSA-N\n",
    "369\ttris(ethylenglycol)\tZIBGPFATKBEMQZ-UHFFFAOYSA-N\n",
    "404\tphthalic acid mono-2-ethylhexylester\tDJDSLBVSSOQSLW-UHFFFAOYSA-N\n",
    "411\ttaurine\tXOAAWQZATWQOTB-UHFFFAOYSA-N\n",
    "413\taminomalonic acid\tJINBYESILADKFW-UHFFFAOYSA-N\n",
    "415\tlactamide\tSXQFCVDSOLSHOQ-UHFFFAOYSA-N\n",
    "444\ttributylphosphate\tSTCOOQWBFONSKY-UHFFFAOYSA-N\n",
    "477\t1-methylgalactose\tHOVAGTYPODGVJG-UHFFFAOYSA-N\n",
    "483\tpyrrole-2-carboxylic acid\tWRHZVMBBRYBTKZ-UHFFFAOYSA-N\n",
    "485\tbutane-2,3-diol\tOWBTYPJTUOEWEK-UHFFFAOYSA-N\n",
    "621\tornithine\tAHLPHDHHMVZTML-BYPYZUCNSA-N\n",
    "648\t1-monostearin\tVBICKXHEKHSIBG-UHFFFAOYSA-N\n",
    "724\tindole-3-lactate\tXGILAAMKEQUXLS-UHFFFAOYSA-N\n",
    "726\tcapric acid\tGHVNFZFCNZKVNT-UHFFFAOYSA-N\n",
    "727\theptadecanoic acid\tKEMQGTRYUADPNZ-UHFFFAOYSA-N\n",
    "770\tthreitol\tUNXHWFMMPAWVPI-QWWZWVQMSA-N\n",
    "809\tdiethyl phthalate\tFLKPEMZONWLCSK-UHFFFAOYSA-N\n",
    "925\tN-acetylaspartate\tOTCCIMWXFLJLIA-BYPYZUCNSA-N\n",
    "997\toctadecanol\tGLDOVTGHNKAZLK-UHFFFAOYSA-N\n",
    "1031\tbutyraldehyde\tZTQSAGDEMFDKMZ-UHFFFAOYSA-N\n",
    "1079\t3,6,9-trioxa-2,10-disilaundecane, 2,2,10,10-te...\tVZCNNAQIFXLAEZ-UHFFFAOYSA-N\n",
    "1169\t2,6-ditert.butylphenol\tDKCPKDPYUFEZCP-UHFFFAOYSA-N\n",
    "1208\t2,3-dihydroxybutyrate\tDZAIOXUZHHTJKN-UHFFFAOYSA-N\n",
    "1373\tcellobiose\tGUBGYTABKSRVRQ-QUYVBRFLSA-N\n",
    "1391\tmalic acid\tBJEPYKJPYRNKOW-UHFFFAOYSA-N\n",
    "1661\tcadaverine\tVHRGRCVQAFMJIZ-UHFFFAOYSA-N\n",
    "1662\tribose\tHMFHBZSHGGEWLO-UHFFFAOYSA-N\n",
    "1663\thypoxanthine\tFDGQSTZJBFJUBT-UHFFFAOYSA-N\n",
    "1664\turacil\tISAKRJDGNUQOIC-UHFFFAOYSA-N\n",
    "1667\t3-phosphoglycerate\tOSJPPGNTCRNQQC-UHFFFAOYSA-N\n",
    "1668\tn-acetyl-d-hexosamine\tOVRNDRQMDRJTHS-FMDGEEDCSA-N\n",
    "1669\txanthine\tLRFVTYWOQMYALW-UHFFFAOYSA-N\n",
    "1671\t2-hydroxypyridine\tUBQKCCHYAOITMY-UHFFFAOYSA-N\n",
    "1676\t5-aminovaleric acid\tJJMDCOVWQOJGCB-UHFFFAOYSA-N\n",
    "1678\tmethionine sulfoxide iso-2\tQEFRNWWLZKMPFJ-YGVKFDHGSA-N\n",
    "1679\tisothreonic acid\tJPIJQSOTBSSVTP-GBXIJSLDSA-N\n",
    "1680\tpentadecanoic acid\tWQEPLUUGTLDZJY-UHFFFAOYSA-N\n",
    "1682\tpyrophosphate\tXPPKVPWEQAFLFU-UHFFFAOYSA-N\n",
    "1685\tphosphoenolpyruvate\tDTBNBXWJWCWCIK-UHFFFAOYSA-N\n",
    "1687\tglycerol-alpha-phosphate\tAWUCVROLDVIAJX-UHFFFAOYSA-N\n",
    "1688\tpseudo uridine\tPTJWIQPHWPFNBW-GBNDHIKLSA-N\n",
    "1692\tthymine\tRWQNBRDOKXIBIV-UHFFFAOYSA-N\n",
    "1693\tglycerol-3-galactoside\tNHJUPBDCSOGIKX-NTXXKDEISA-N\n",
    "1712\tcitrulline\tRHGKLRLOHDJJDR-BYPYZUCNSA-N\n",
    "1714\tspermidine\tATHGHQPFGPMSJY-UHFFFAOYSA-N\n",
    "1718\tfumaric acid\tVZCYOOQTPOCHFL-OWOJBTEDSA-N\n",
    "1723\tphosphoethanolamine\tSUHOOTKUPISOBE-UHFFFAOYSA-N\n",
    "1726\tadenosine-5-monophosphate\tUDMBCSSLTHHNCD-KQYNXXCUSA-N\n",
    "1727\tglutaric acid\tJFCQEDHGNNZCLN-UHFFFAOYSA-N\n",
    "1728\tinosine\tUGQMRVRMYYASKQ-KQYNXXCUSA-N\n",
    "1733\tphenylacetic acid\tWLJVXDMOQOGPHL-UHFFFAOYSA-N\n",
    "1738\tcytidine-5-monophosphate\tIERHLVCPSMICTF-XVFCMESISA-N\n",
    "1741\tmyo-inositol\tCDAISMWEOUEBRE-UHFFFAOYSA-N\n",
    "1743\tmaleimide\tPEEHTFAAVSWFBL-UHFFFAOYSA-N\n",
    "1749\tnicotinamide\tDFPAKSUCGFBDDF-UHFFFAOYSA-N\n",
    "1755\t2-methylglyceric acid\tDGADNPLBVRLJGD-UHFFFAOYSA-N\n",
    "1764\tadenine\tGFFGJBXGBJISGV-UHFFFAOYSA-N\n",
    "1784\turidine-5-monophosphate\tDJJCXFVJDGTHFX-XVFCMESISA-N\n",
    "1787\t3-hydroxypyridine\tGRFNBEZIAWKNCO-UHFFFAOYSA-N\n",
    "1801\tmethionine sulfone\tUCUNFLYVYCGDHP-BYPYZUCNSA-N\n",
    "1805\t2-phosphoglyceric acid\tGXIURPTVHJPJLF-UHFFFAOYSA-N\n",
    "1808\txylonolactone\tXXBSUZSONOQQGK-FLRLBIABSA-N\n",
    "1810\tthymidine-5-phosphate\tGYOZYWVXFNDGLU-XLPZGREQSA-N\n",
    "1812\tglucosamine\tMSWZFWKMSRAUBD-IVMDWMLBSA-N\n",
    "1835\tn-acetylputrescine\tKLZGKIDSEJWEDW-UHFFFAOYSA-N\n",
    "1842\t4-aminobutyric acid\tBTCSSZJGUNDROE-UHFFFAOYSA-N\n",
    "1871\tbutylamine\tHQABUPZFAYXKJW-UHFFFAOYSA-N\n",
    "1923\tisooctanol\tBWDBEAQIHAEVLV-UHFFFAOYSA-N\n",
    "1966\tguanosine\tNYHBQMYGNKIUIF-UUOKFMHZSA-N\n",
    "1971\tglycolic acid\tAEMRFAOFKBGASW-UHFFFAOYSA-N\n",
    "1975\tgalactinol\tVCWMRQDBPZKXKG-ZNVDUFQESA-N\n",
    "1977\t3-hydroxypropionic acid\tALRHLSYJTWAHJZ-UHFFFAOYSA-N\n",
    "1979\tmaltose iso-1\tGUBGYTABKSRVRQ-PICCSMPSSA-N\n",
    "2000\t2-hydroxyglutaric acid\tHWXBTNAVRSUOJR-UHFFFAOYSA-N\n",
    "2001\tmethyl oleate\tQYDYPVFESGNLHU-KHPPLWFESA-N\n",
    "2002\tpalmitic acid butyl ester\tGLYJVQDYLFAUFC-UHFFFAOYSA-N\n",
    "2005\tphenylethylamine\tBHHGXPLMPWCGHP-UHFFFAOYSA-N\n",
    "2032\ttryptamine\tAPJYDQYYACXCRM-UHFFFAOYSA-N\n",
    "2047\tbutyrolactam\tHNJBEVLQSNELDL-UHFFFAOYSA-N\n",
    "2070\t1-monopalmitin\tQHZLMUACJMDIAE-UHFFFAOYSA-N\n",
    "2071\t2-monostearin\tYQEMORVAKMFKLG-UHFFFAOYSA-N\n",
    "2080\t2-monopalmitin\tBBNYCLAREVXOSG-UHFFFAOYSA-N\n",
    "2186\tcytosine\tOPTASPLRGRRNAP-UHFFFAOYSA-N\n",
    "2226\tsuccinate semialdehyde\tUIUJIQZEACWQSV-UHFFFAOYSA-N\n",
    "2254\t2,5-dihydroxypyrazine\tUSHRADXTTYICIJ-UHFFFAOYSA-N\n",
    "2429\tTRI S\tLENZDBCJOHFCAS-UHFFFAOYSA-N\n",
    "2448\tpipecolinic acid\tHXEACLLIILLPRG-RXMQYKEDSA-N\n",
    "2503\tophthalmic acid\tJCMUOFQHZLPHQP-BQBZGAKWSA-N\n",
    "2519\tguanine\tUYTPUPDQBNUYGX-UHFFFAOYSA-N\n",
    "2521\talanine-alanine\tDEFJQIDDEAULHB-IMJSIDKUSA-N\n",
    "2546\tUDP-N-acetylglucosamine\tLFTYTUAZOPRMMI-CFRASDGPSA-N\n",
    "2550\tpyridoxal-5-phosphate\tNGVDGCNFYWLIFO-UHFFFAOYSA-N\n",
    "2670\tconduritol-beta-epoxide\tZHMWOVGZCINIHW-SPHYCDKFSA-N\n",
    "2786\thomocystine\tZTVZLYBCZNMWCF-UHFFFAOYSA-N\n",
    "2787\tcysteine-glycine\tZUKPVRWZDMRIEO-VKHMYHEASA-N\n",
    "2849\thomoserine\tUKAUYVFTDYCKQA-VKHMYHEASA-N\n",
    "2869\tbeta-gentiobiose\tDLRVVLDZNNYCBX-LIZSDCNHSA-N\n",
    "3009\tfucose\tSHZGCJCMOBCMKK-FPRJBGLDSA-N\n",
    "3040\t6(5h)-benzo[c]phenanthridinone, 11,12-dihydro-\tAMAXBIKMKZRFCE-UHFFFAOYSA-N\n",
    "3063\tsalicylic acid\tYGSDEFSMJLZEOE-UHFFFAOYSA-N\n",
    "3089\tbutyl stearate\tULBTUVJTXULMLP-UHFFFAOYSA-N\n",
    "3101\tepsilon-caprolactam\tJBKVHLHDHHXQEQ-UHFFFAOYSA-N\n",
    "3163\tdehydroascorbic acid\tSBJKKFFYIZUCET-JLAZNSOCSA-N\n",
    "3167\tglucose-1-phosphate\tHXXFSFRBOHSIMQ-VFUOTHLCSA-N\n",
    "3169\tlevoglucosan\tTWNIBLMWSKIRAT-VFUOTHLCSA-N\n",
    "3171\terythronic acid\tJPIJQSOTBSSVTP-PWNYCUMCSA-N\n",
    "3174\tbeta-sitosterol\tKZJWDPNRJALLNS-VJSFXXLFSA-N\n",
    "3181\tsinapinic acid\tPCMORTLOPMLEFB-ONEGZZNKSA-N\n",
    "3186\tcis-sinapinic acid\tPCMORTLOPMLEFB-ARJAWSKDSA-N\n",
    "3190\traffinose\tMUPFEKGTMRGPLJ-ZQSKZDJDSA-N\n",
    "3191\tglucoheptulose\tHSNZZMHEPUFJNZ-SHUUEZRQSA-N\n",
    "3192\ttrans-phytol\tBOTWFXYSPFMFNR-PYDDKJGSSA-N\n",
    "3197\tspermine\tPFNFFQXMRSDOHW-UHFFFAOYSA-N\n",
    "3212\tethanolamine\tHZAXFHJVJLSVMW-UHFFFAOYSA-N\n",
    "3221\t3-indoleacetonitrile\tDMCPFOBLJMLSNX-UHFFFAOYSA-N\n",
    "3234\ttrisaccharide\tFYGDTMLNYKFZSV-UHFFFAOYSA-N\n",
    "3252\tisoribose\tSRBFZHDQGSBBOR-SOOFDHNKSA-N\n",
    "3272\tmaltose iso-2\tGUBGYTABKSRVRQ-UHFFFAOYSA-N\n",
    "3279\t2-ketoglucose dimethylacetal\tDCNMIDLYWOTSGK-HSUXUTPPSA-N\n",
    "3293\thomoglutamine\tYZJSUQQZGCHHNQ-BYPYZUCNSA-N\n",
    "3301\tdibutyl phthalate\tDOIRQSBPFJWKBE-UHFFFAOYSA-N\n",
    "3356\ttagatose\tLKDRXBCSQODPBY-OEXCPVAWSA-N\n",
    "3469\tpentitol 2\tHEBKCHPVOIAQTA-UHFFFAOYSA-N\n",
    "3470\txylonic acid\tQXKAIJAYHKCRRA-FLRLBIABSA-N\n",
    "3502\tgluconic acid lactone\tPHOQVHQSTUBQQK-SQOUGZDYSA-N\n",
    "3524\tacetophenone\tKWOLFJPFCHCOCG-UHFFFAOYSA-N\n",
    "3943\tO-acetylserine\tVZXPDPZARILFQX-BYPYZUCNSA-N\n",
    "4203\t6-chlorohexanol\tJNTPTNNCGDAGEJ-UHFFFAOYSA-N\n",
    "4266\ttetracosane\tPOOSGDOYLQNASK-UHFFFAOYSA-N\n",
    "4361\ttridecanoic acid\tSZHOJFHSIKHZHA-UHFFFAOYSA-N\n",
    "4384\thexanedioic acid, bis(2-ethylhexyl) ester\tSAOKZLXYCUGLFA-UHFFFAOYSA-N\n",
    "4523\tquinic acid\tAAWZDTNXLSGCEK-LNVDRNJUSA-N\n",
    "4527\tglutamine dehydrated\tZDXPYRJPNDTMRX-UHFFFAOYSA-N\n",
    "4544\t2,4-dihydroxybutyrate\tUFYGCFHQAXXBCF-UHFFFAOYSA-N\n",
    "4545\ttocopherol gamma-\tQUEDXNHFTDJVIY-DQCZWYHMSA-N\n",
    "4554\thexuronic acid\tIAJILQKETJEXLJ-UHFFFAOYSA-N\n",
    "4701\tnicotianamine\tKRGPXXHMOXVMMM-CIUDSAMLSA-N\n",
    "4704\tlinolenic acid\tDTOSIQBPPRVQHS-PDBXOOCHSA-N\n",
    "4705\turidine\tDRTQHJPVMGBUCF-XVFCMESISA-N\n",
    "4706\tgalactonic acid\tRGHNJXZEOKUKBD-MGCNEYSASA-N\n",
    "4715\tconiferin\tSFLMUHDGSQZDOW-FAOXUISGSA-N\n",
    "4730\tmelibiose\tDLRVVLDZNNYCBX-ABXHMFFYSA-N\n",
    "4731\tagmatine\tQYPPJABKJHAVHS-UHFFFAOYSA-N\n",
    "4757\t5-hydroxynorvaline\tCZWARROQQFCFJB-UHFFFAOYSA-N\n",
    "4759\tinositol-4-monophosphate\tINAPMGSXUVUWAF-GFWFORPUSA-N\n",
    "4813\tN-acetylornithine\tJRLGPAXAGHMNOL-LURJTMIESA-N\n",
    "4863\tpara-xanthine\tQUNWUDVFRNGTCO-WFGJKAKNSA-N\n",
    "4921\tedta\tKCXVZYZYPLLWCC-UHFFFAOYSA-N\n",
    "4923\toxalic acid\tMUBZPKHOEPUJKR-UHFFFAOYSA-N\n",
    "4928\timinodiacetic acid\tNBZBKCUXIYYUSX-UHFFFAOYSA-N\n",
    "4944\tparabanic acid\tZFLIKDUSUDBGCD-UHFFFAOYSA-N\n",
    "4953\t2,4-diaminobutyric acid\tOGNSCSPNOLGXSM-VKHMYHEASA-N\n",
    "5268\tdithiothreitol\tVHJLVAABSRFDPM-UHFFFAOYSA-N\n",
    "5393\tmethanolphosphate\tCAAULPUQFIIOTL-UHFFFAOYSA-N\n",
    "5418\tn-acetyl-5-hydroxytryptamine\tMVAWJSIDNICKHF-UHFFFAOYSA-N\n",
    "5488\talloxanoic acid\tBXTYRIKKNHXERN-UHFFFAOYSA-N\n",
    "5691\tketoisoleucine\tJVQYSWDUAOAHFM-UHFFFAOYSA-N\n",
    "5857\txylitol\tHEBKCHPVOIAQTA-NGQZWQHPSA-N\n",
    "6406\tloganin\tAMBQHHVBBHTQBF-UOUCRYGSSA-N\n",
    "6426\tmucic acid\tDSLZVSRJTYRBFB-DUHBMQHGSA-N\n",
    "6431\tfructose-6-phosphate 1\tBGWGXPAPYGQALX-ARQDHWQXSA-N\n",
    "6432\tlactulose\tJCQLYHFGKNRPGE-FCVZTGTOSA-N\n",
    "6529\tarachidonic acid\tYZXBAPSDXZZRGB-DOFZRALJSA-N\n",
    "6866\tcaprylic acid\tWWZKQHOCKIZLMA-UHFFFAOYSA-N\n",
    "7010\thydroxycarbamate\tDRAJWRKLRBNJRQ-UHFFFAOYSA-N\n",
    "7362\tribitol\tHEBKCHPVOIAQTA-ZXFHETKHSA-N\n",
    "7449\tbiuret\tOHJMTUPIZMNBFR-UHFFFAOYSA-N\n",
    "7501\tgluconic acid\tRGHNJXZEOKUKBD-QTBDOELSSA-N\n",
    "7508\t1-monoolein\tRZRNAYUHWVFMIP-KTKRTIGZSA-N\n",
    "7831\tUDP-glucuronic acid\tHDYANYHVCAPMJV-LXQIFKJMSA-N\n",
    "7964\tglycocyamine\tBPMFZUMJYQTVII-UHFFFAOYSA-N\n",
    "8205\tmethylmalonic acid\tZIYVHBGGAOATLY-UHFFFAOYSA-N\n",
    "8917\tdehydroabietic acid\tNFWKVWVWBFBAOV-MISYRCLQSA-N\n",
    "10647\tisolinoleic acid\tZMKDEQUXYDZSNN-UTJQPWESSA-N\n",
    "10827\t3-aminoisobutyric acid\tQCHPKSFMDHPSNR-UHFFFAOYSA-N\n",
    "11214\tsaccharic acid\tDSLZVSRJTYRBFB-LLEIAEIESA-N\n",
    "11820\tcaffeine\tRYYVLZVUVIJVGH-UHFFFAOYSA-N\n",
    "12092\tdodecanol\tLQZZUXJYWNFBMV-UHFFFAOYSA-N\n",
    "12266\tsulfuric acid\tQAOWNCQODCNURD-UHFFFAOYSA-N\n",
    "12267\tisocitric acid\tODBLHEXUDAPZAU-ZAFYKAAXSA-N\n",
    "12269\thippuric acid\tQIAFMBKCNZACKA-UHFFFAOYSA-N\n",
    "12279\thydroxyproline dipeptide\tHXWNRESJYUCPRA-UHFFFAOYSA-N\n",
    "12284\t4-hydroxyhippuric acid\tZMHLUFWWWPBTIU-UHFFFAOYSA-N\n",
    "12895\tanthranilic acid\tRWZYAGGXGHYGMB-UHFFFAOYSA-N\n",
    "13110\tribose-5-phosphate\tKTVPXOYAKDPRHY-UHFFFAOYSA-N\n",
    "14686\tinulotriose\tAIHDCSAXVMAMJH-GFBKWZILSA-N\n",
    "14692\t1-kestose\tVAWYEUIPHLMNNF-OESPXIITSA-N\n",
    "14713\tpipecolic acid\tHXEACLLIILLPRG-YFKPBYRVSA-N\n",
    "14714\tmaleic acid\tVZCYOOQTPOCHFL-UHFFFAOYSA-N\n",
    "14733\tmalonic acid\tOFOBLEOULBTSOW-UHFFFAOYSA-N\n",
    "14734\tpentonic acid\tQXKAIJAYHKCRRA-UHFFFAOYSA-N\n",
    "14747\tpiceatannol\tCDRPUGZCRXZLFL-OWOJBTEDSA-N\n",
    "14758\tmethyl O-D-galactopyranoside\tHOVAGTYPODGVJG-VOQCIKJUSA-N\n",
    "14759\tdihydroxymalonic acid\tVUCKYGJSXHHQOJ-UHFFFAOYSA-N\n",
    "14761\thexaric acid\tDSLZVSRJTYRBFB-UHFFFAOYSA-N\n",
    "14814\tferulic acid\tKSEBMYQBYZTDHS-HWKANZROSA-N\n",
    "14817\tN-acetylmannosamine iso-2\tOVRNDRQMDRJTHS-ZTVVOAFPSA-N\n",
    "16321\tp-cresol\tIWDCLRJOBJJRNH-UHFFFAOYSA-N\n",
    "16544\tpinitol\tDSCFFEYYQKSRSV-FEPQRWDDSA-N\n",
    "16546\t3,4-dihydroxycinnamic acid\tQAIPRVGONGVQAS-DUXPYHPUSA-N\n",
    "16557\t1,2-anhydro-myo-inositol\tZHMWOVGZCINIHW-FTYOSCRSSA-N\n",
    "16563\t5-methoxypsoralen\tBGEBZHIAGXMEMV-UHFFFAOYSA-N\n",
    "16573\tisochlorogenic\tCWVRJTMFETXNAD-DUXPYHPUSA-N\n",
    "16574\tcryptochlorogenic acid\tGYFFKZTYYAFCTR-AVXJPILUSA-N\n",
    "16593\tcis-caffeic acid\tQAIPRVGONGVQAS-RQOWECAXSA-N\n",
    "16595\tvanillic acid\tWKOLLVMJNQIZCI-UHFFFAOYSA-N\n",
    "16603\tononitol\tDSCFFEYYQKSRSV-UHFFFAOYSA-N\n",
    "16621\tgallic acid\tLNTHITQWFMADLM-UHFFFAOYSA-N\n",
    "16643\tcyano-l-alanine\tBXRLWGXPSRYJDZ-VKHMYHEASA-N\n",
    "16664\tmelezitose\tQWIZNVHXZXRPDR-WSCXOGSTSA-N\n",
    "16667\tscopolamine\tSTECJAGHUSJQJN-USLFZFAMSA-N\n",
    "16668\tgalactose\tWQZGKKKJIJFFOK-PHYPRBDBSA-N\n",
    "16692\tmethylhexose\tQRAXLHLYZJCAKB-UHFFFAOYSA-N\n",
    "16708\tallantoic acid\tNUCLJNSWZCHRKL-UHFFFAOYSA-N\n",
    "16709\thydroquinone\tQIGBRXMKCJKVMJ-UHFFFAOYSA-N\n",
    "16712\tsecoisolariciresinol\tPUETUDUXMCLALY-HOTGVXAUSA-N\n",
    "16713\t1-hexadecanol\tBXWNKGSJHAJOGX-UHFFFAOYSA-N\n",
    "16773\tatropine\tRKUNBYITZUJHSG-PJPHBNEVSA-N\n",
    "16781\t2-(1-methyl-2-pyrrolidinyl)-pyridine\tAQCRXZYYMOXFAN-UHFFFAOYSA-N\n",
    "16782\t3,6-anhydro-D-glucose\tWZYRMLAWNVOIEX-SLPGGIOYSA-N\n",
    "16789\tscopoletin\tRODXRVNMMDRFIK-UHFFFAOYSA-N\n",
    "16799\tisochlorogenic acid\tCWVRJTMFETXNAD-NXLLHMKUSA-N\n",
    "16803\tanabasine\tMTXSIJUGVMTTMU-UHFFFAOYSA-N\n",
    "16806\t3,4-dihydroxybenzoic acid\tYQUVCSBJEUQKSH-UHFFFAOYSA-N\n",
    "16813\tketohexose\tBJHIKXHVCXFQLS-PUFIMZNGSA-N\n",
    "16825\t6-deoxygalactofuranose\tAFNUZVCFKQUDBJ-ZZWDRFIYSA-N\n",
    "16826\tcitramalic acid\tXFTRTWQBIOMVPK-UHFFFAOYSA-N\n",
    "16829\tN-acetyl-D-galactosamine\tOVRNDRQMDRJTHS-JAJWTYFOSA-N\n",
    "16831\t3,6-anhydro-d-hexose\tSYSZGJKBOHEMPB-FIVCZYLNSA-N\n",
    "16865\tarbutin\tBJRNKVDFDLYUGJ-RMPHRYRLSA-N\n",
    "16886\tbeta-mannosylglycerate\tDDXCFDOPXBPUJC-SAYMMRJXSA-N\n",
    "16906\t3-methoxytyramine\tDIVQKHQLANKJQO-UHFFFAOYSA-N\n",
    "16942\tguanidinosuccinate\tVVHOUVWJCQOYGG-REOHCLBHSA-N\n",
    "16943\tnornicotine\tMYKUKUCHPMASKF-UHFFFAOYSA-N\n",
    "16947\t6-Oxopiperidine-2-carboxylic acid\tFZXCPFJMYOQZCA-UHFFFAOYSA-N\n",
    "16968\tazelaic acid\tBDJRBEYXGGNYIS-UHFFFAOYSA-N\n",
    "17001\tarabitol\tHEBKCHPVOIAQTA-QWWZWVQMSA-N\n",
    "17002\tgalactosamine\tMSWZFWKMSRAUBD-GASJEMHNSA-N\n",
    "17049\tepicatechin\tPFTAWBLQPZVEMU-UKRRQHHQSA-N\n",
    "17085\t4',5-dihydroxy-7-glucosyloxyflavanone\tDLIKSSGEMUFQOK-SFTVRKLSSA-N\n",
    "17189\tleucrose\tDXALOGXSFLZLLN-WTZPKTTFSA-N\n",
    "17190\tepigallocatechin\tXMOCLSLCDHWDHP-IUODEOHRSA-N\n",
    "17246\t2-isopropylmalic acid\tBITYXLXUCSKTJS-ZETCQYMHSA-N\n",
    "17252\t3-Amino-2-piperidone\tYCCMTCQQDULIFE-UHFFFAOYSA-N\n",
    "17264\tsaccharopine\tZDGJAHTZVHVLOT-YUMQZZPRSA-N\n",
    "17312\t2-(4-hydroxyphenyl)ethanol\tYCCILVSKPBXVIP-UHFFFAOYSA-N\n",
    "17321\ttartaric acid\tFEWJPZIEWOKRBE-JCYAYHJZSA-N\n",
    "17323\trosmarinic acid\tDOUMFZQKYFQNTF-WUTVXBCWSA-N\n",
    "17339\tsyringic acid\tJMSVCTWVEWCHDZ-UHFFFAOYSA-N\n",
    "17361\t3 hydroxy-3-methylglutaric acid\tNPOAOTPXWNWTSH-UHFFFAOYSA-N\n",
    "17364\t4-(5-methyl-2-furanyl)-2-butanone\tCWKYCXPGVIFXOH-UHFFFAOYSA-N\n",
    "17381\ttyramine\tDZGWFCGJZKJUFP-UHFFFAOYSA-N\n",
    "17390\t6-deoxyhexitol\tSKCKOFZKJLZSFA-UHFFFAOYSA-N\n",
    "17431\tN-methylglutamic acid\tXLBVNMSMFQMKEY-BYPYZUCNSA-N\n",
    "17568\t2-hydroxyadipic acid\tOTTXIFWBPRRYOG-UHFFFAOYSA-N\n",
    "17589\t1-hexacosanol\tIRHTZOCLLONTOC-UHFFFAOYSA-N\n",
    "17664\tcaproic acid\tFUZZWVXGSFPDMH-UHFFFAOYSA-N\n",
    "17695\tlactobionic acid\tJYTUSYBCFIZPBE-AMTLMPIISA-N\n",
    "17731\t2,3-dihydroxybenzoic acid\tGLDQAMYCGOIJDV-UHFFFAOYSA-N\n",
    "17781\t1-deoxyerythritol\tYAXKTBLXMTYWDQ-UHFFFAOYSA-N\n",
    "17883\tmannitol\tFBPFZTCFMRRESA-KVTDHHQDSA-N\n",
    "17886\tarabinose\tSRBFZHDQGSBBOR-ZRMNMSDTSA-N\n",
    "17894\tisosalicin\tVBSPBYNZPRRGSB-UJPOAAIJSA-N\n",
    "17913\t1-docosanol\tNOPFSRXAKWQILS-UHFFFAOYSA-N\n",
    "17956\tstigmasterol\tHCXVJBMSMIARIN-PHZDYDNGSA-N\n",
    "17973\talpha-aminoadipic acid\tOYIFNHCXNCRBQI-BYPYZUCNSA-N\n",
    "17982\tcerotinic acid\tXMHIUKTWLZUKEX-UHFFFAOYSA-N\n",
    "18022\t1-octacosanol\tCNNRPFQICPFDPO-UHFFFAOYSA-N\n",
    "18026\tmethylmaleic acid\tHNEGQIOMVPPMNR-IHWYPQMZSA-N\n",
    "18043\t2,3-dihydroxypyridine\tGGOZGYRTNQBSSA-UHFFFAOYSA-N\n",
    "18066\tmetanephrine\tJWJCTZKFYGDABJ-UHFFFAOYSA-N\n",
    "18225\t4-Hydroxybenzyl alcohol\tBVJSUAQZOZWCKN-UHFFFAOYSA-N\n",
    "18344\t4-hydroxycinnamic acid\tNGSWKAQJJWESNS-ZZXKWVIFSA-N\n",
    "18492\torotic acid\tPXQPEWDEAKTCGB-UHFFFAOYSA-N\n",
    "18496\tglycyl proline\tKZNQNBZMBZJQJO-YFKPBYRVSA-N\n",
    "18559\tgamma-glutamyl-cysteine\tRITKHVBHSGLULN-WHFBIAKZSA-N\n",
    "20287\thexose\tWQZGKKKJIJFFOK-UHFFFAOYSA-N\n",
    "20902\thydrocinnamic acid\tXMIIGOLPHOKFCH-UHFFFAOYSA-N\n",
    "20961\toleamide\tFATBGEAMYMYZAF-KTKRTIGZSA-N\n",
    "21504\tnaproxen\tCMWTZPSULFXXJA-VIFPVBQESA-N\n",
    "21625\tergosterol\tDNVPQKQSNYMLRS-APGDWVJJSA-N\n",
    "21693\tlinoleic acid methyl ester\tWTTJVINHCBCLGX-NQLNTKRDSA-N\n",
    "21702\tmaltitol\tVQHSOMBJVWLPSR-WUJBLJFYSA-N\n",
    "21714\t2-deoxypentitol\tZDAWZDFBPUUDAY-UHFFFAOYSA-N\n",
    "21722\t3-deoxyhexitol\tRUIACMUVCHMOMF-UHFFFAOYSA-N\n",
    "21735\tlysopalmitoyl monogalactosylglycerol\tDWKQIHQQZYILDB-CETRGASCSA-N\n",
    "21821\t5'-deoxy-5'-methylthioadenosine\tWUUGFSXJNOTRMR-IOSLPCCCSA-N\n",
    "22000\tdihydroxyacetone\tRXKJFZQQPQGTFL-UHFFFAOYSA-N\n",
    "22021\tbeta-glycerolphosphate\tDHCLVCXQIBBOPH-UHFFFAOYSA-N\n",
    "22127\tmaltotriose\tFYGDTMLNYKFZSV-DZOUCCHMSA-N\n",
    "22333\tdiacetone alcohol\tSWXVUIWOUIDPGS-UHFFFAOYSA-N\n",
    "23042\tsqualene\tYYGNTYWPHWGJRM-AAJYLUCBSA-N\n",
    "25922\t2-hydroxyvaleric acid\tJRHWHSJDIILJAT-UHFFFAOYSA-N\n",
    "26704\t1,2,4-benzenetriol\tGGNQRNBDZQJCCN-UHFFFAOYSA-N\n",
    "26714\tpyrogallol\tWQGWDDDVZFFDIG-UHFFFAOYSA-N\n",
    "26754\tmethyl-UMP\tKZSHODFDDQCIMT-ZOQUXTDFSA-N\n",
    "27154\tbisphosphoglycerol\tIBPDKUYWDGDBQW-UHFFFAOYSA-N\n",
    "31223\thypotaurine\tVVIUBCNYACGLLV-UHFFFAOYSA-N\n",
    "31242\tinosine 5-monophosphate\tGRSZFWQUAKGDAV-KQYNXXCUSA-N\n",
    "31356\tpantothenic acid\tGHOKWGTUZJEAQD-ZETCQYMHSA-N\n",
    "31381\tsalicylaldehyde\tSMQUZDBALVYZAC-UHFFFAOYSA-N\n",
    "31543\tindoxyl sulfate\tBXFFHSIDQOFMLE-UHFFFAOYSA-N\n",
    "31552\t5-hydroxy-3-indoleacetic acid\tDUUGKQCEGZLZNO-UHFFFAOYSA-N\n",
    "31555\t4-hydroxyphenylacetic acid\tXQXPVVBIMDBYFF-UHFFFAOYSA-N\n",
    "31556\tN-acetylneuraminic acid\tSQVRNKJHWKZAKO-LUWBGTNYSA-N\n",
    "31571\tp-tolyl glucuronide\tJPAUCQAJHLSMQW-XPORZQOISA-N\n",
    "31579\tn-carbamylglutamate\tLCQLHJZYVOQKHU-VKHMYHEASA-N\n",
    "31625\timidazole lactate\tACZFBYCNAVEFLC-YFKPBYRVSA-N\n",
    "31632\txylulose\tLQXVFWRQNMEDEE-PYHARJCCSA-N\n",
    "31650\t3-(3-hydroxyphenyl)-3-hydroxypropionic acid\tKHTAGVZHYUZYMF-UHFFFAOYSA-N\n",
    "31651\t7-methylguanine\tFZWGECJQACGGTI-UHFFFAOYSA-N\n",
    "31654\tcatechol\tYCIMNLLNPGFGHC-UHFFFAOYSA-N\n",
    "31743\t2,3-dihydroxybutanoic acid\tLOUGYXZSURQALL-UHFFFAOYSA-N\n",
    "31858\t5-hydroxymethyl-2-furoic acid\tPCSKKIUURRTAEM-UHFFFAOYSA-N\n",
    "31889\tphenol\tISWSIDIOOBJBQZ-UHFFFAOYSA-N\n",
    "32204\t3,4-dihydroxyphenylacetic acid\tCFFZDZCDUFSOFZ-UHFFFAOYSA-N\n",
    "32360\t3-hydroxyphenylacetic acid\tFVMDYYGIDFPZAX-UHFFFAOYSA-N\n",
    "32675\t2-hydroxy-2-methylbutanoic acid\tMBIQENSCDNJOIY-UHFFFAOYSA-N\n",
    "33037\tdeoxypentitol\tFJGNTEKSQVNVTJ-UHFFFAOYSA-N\n",
    "33382\t3-hydroxy-3-(4'-hydroxy-3'-methoxyphenyl)propi...\tQCMUGKOFXVYNCF-UHFFFAOYSA-N\n",
    "33429\tpimelic acid\tWLJVNTCWHIRURA-UHFFFAOYSA-N\n",
    "33458\t6-deoxyglucitol\tSKCKOFZKJLZSFA-JGWLITMVSA-N\n",
    "34016\t4-hydroxybenzoate\tFJKROLUGYXJWQN-UHFFFAOYSA-N\n",
    "34023\tpiperidone\tXUWHAWMETYGRKB-UHFFFAOYSA-N\n",
    "34027\tphenoxyacetic acid\tLCPDWSOZIOUXRV-UHFFFAOYSA-N\n",
    "34047\ttrans-aconitic acid\tGTZCVFVGUGFEME-HNQUOIGGSA-N\n",
    "34096\tgalactitol\tFBPFZTCFMRRESA-UNTFVMJOSA-N\n",
    "34098\t4-pyridoxic acid\tHXACOUQIXZGNBF-UHFFFAOYSA-N\n",
    "34100\t2-deoxyerythritol\tARXKVVRQIIOZGF-UHFFFAOYSA-N\n",
    "34111\t4-methylcatechol\tZBCATMYQYDCTIZ-UHFFFAOYSA-N\n",
    "34114\tresorcinol\tGHMLBKRAJCXXBS-UHFFFAOYSA-N\n",
    "34133\t3,4-dihydroxyhydrocinnamic acid\tDZAUWHJDUNRCTF-UHFFFAOYSA-N\n",
    "34153\tdiglycerol\tGPLRAVKSCUXZTP-UHFFFAOYSA-N\n",
    "34196\tfuroylglycine\tKSPQDMRTZZYQLM-UHFFFAOYSA-N\n",
    "34441\tD-altrose\tGZCGUPFRVQAUEE-ARQDHWQXSA-N\n",
    "40442\tisobutene glycol\tBTVWZWFKMIUSGS-UHFFFAOYSA-N\n",
    "41809\tabietic acid\tRSWGJHLUYNHPMX-ONCXSQPRSA-N\n",
    "41895\tdodecanoic acid, isopropanol ester\tUJPPXNXOEVDSRW-UHFFFAOYSA-N\n",
    "42027\tribulose-5-phosphate\tFNZLKVNUWIIPSJ-UHNVWZDZSA-N\n",
    "42194\ttocopherol beta\tWGVKWNUPNGFDFJ-CBIUGAAKSA-N\n",
    "42205\tmethyltetrahydrophenanthrenone iso-1\tGONYVNMFEDYGMU-UHFFFAOYSA-N\n",
    "42937\tepicholestanol\tQYIXCDOBOSTCEI-FBVYSKEZSA-N\n",
    "43740\tcyclohexylamine\tPAFZNILMFXTMIY-UHFFFAOYSA-N\n",
    "46142\tphthalic acid\tXNGIFLGASWRNHJ-UHFFFAOYSA-N\n",
    "46234\tlyxose\tSRBFZHDQGSBBOR-AGQMPKSLSA-N\n",
    "46252\tterephthalic acid\tKKEYFWRCBNTPAC-UHFFFAOYSA-N\n",
    "46258\tnonadecanoic acid\tISYWECDDZWTKFF-UHFFFAOYSA-N\n",
    "46259\tisoheptadecanoic acid\tIIUXHTGBZYEGHI-UHFFFAOYSA-N\n",
    "46315\tbehenic acid\tUKMSUNONTOPOIO-UHFFFAOYSA-N\n",
    "46346\tisopalmitic acid\tZONJATNKKGGVSU-UHFFFAOYSA-N\n",
    "47167\tibuprofen\tHEFNNWSXXWATRW-UHFFFAOYSA-N\n",
    "48504\tisorhamnose\tSHZGCJCMOBCMKK-GASJEMHNSA-N\n",
    "48622\t2,4,6-tribromophenol\tBSWWXRFVMJHFBN-UHFFFAOYSA-N\n",
    "49382\toctanol\tKBPLFHHGFOOTCA-UHFFFAOYSA-N\n",
    "49426\tpentadecane\tYCOZIPAWZNQLMR-UHFFFAOYSA-N\n",
    "49497\t3-(3-hydroxyphenyl)propionic acid\tQVWAEZJXDYOKEH-UHFFFAOYSA-N\n",
    "51246\tisogluconic acid\tRGHNJXZEOKUKBD-UHFFFAOYSA-N\n",
    "53724\tmethyltetrahydrophenanthrenone iso-2\tAXXQAQVLCYQMQZ-UHFFFAOYSA-N\n",
    "54643\tmethyltetrahydrophenanthrenone iso-3\tFSPGJSRKHCJARC-UHFFFAOYSA-N\n",
    "62244\tmethylamine\tBAVYZALUXZFZLV-UHFFFAOYSA-N\n",
    "62246\tdimethyluric acid\tHMLZLHKHNBLLJD-UHFFFAOYSA-N\n",
    "62247\tlactitol\tVQHSOMBJVWLPSR-JVCRWLNRSA-N\n",
    "62256\tN-acetylglutamate\tRFMMMVDNIPUKGG-YFKPBYRVSA-N\n",
    "62260\tisoxanthopterin\tGLKCOBIIZKYKFN-UHFFFAOYSA-N\n",
    "62261\tciliatine\tQQVDJLLNRSOCEL-UHFFFAOYSA-N\n",
    "62284\tbiopterin\tLHQIJBMDNUYRAM-AWFVSMACSA-N\n",
    "62286\tphosphoinositol\tINAPMGSXUVUWAF-UHFFFAOYSA-L\n",
    "62287\txanthurenic acid\tFBZONXHGGPHHIY-UHFFFAOYSA-N\n",
    "62315\tn-acetylglucosamine-6-phosphate\tBRGMHAYQAZFZDJ-RTRLPJTCSA-N\n",
    "62338\t2-amino-4-oxo-4-phenylbutanoic acid\tQXRCVKLRAOSZCP-UHFFFAOYSA-N\n",
    "62354\tsophorose\tHIWPGCMGAMJNRG-BTLHAWITSA-N\n",
    "62403\tphosphohexonic acid\tBIRSGZKFKXLSJQ-SQOUGZDYSA-N\n",
    "62472\tglycyl tyrosine\tXBGGUPMXALFZOT-VIFPVBQESA-N\n",
    "62487\to-methylthreonine\tFYCWLJLGIAUCCL-DMTCNVIQSA-N\n",
    "62493\t2,4-hexadienedioic acid\tTXXHDPDFNKHHGW-CCAGOZQPSA-N\n",
    "62502\tfructose-2,6-bisphosphate\tYXWOAJXNVLXPMU-ZXXMMSQZSA-N\n",
    "62691\tmaltotriitol iso-2\tXJCCHWKNFMUJFE-UHFFFAOYSA-N\n",
    "62731\ttrehalose-6-phosphate\tLABSPYBHMPDTEL-LIZSDCNHSA-N\n",
    "62806\thydrogen sulfide\tRWSOTUBLDIXVET-UHFFFAOYSA-N\n",
    "62821\t2-hydroxypyrazinyl-2-propenoic acid ethyl ester\tWFZVBCSNPDDHDI-FNORWQNLSA-N\n",
    "64526\tl-DOPA\tWTDRDQBEARUVNC-LURJTMIESA-N\n",
    "64556\t3-hydroxykynurenine\tVCKPUUFAIGNJHC-UHFFFAOYSA-N\n",
    "64656\ttranexamic acid\tGYDJEQRTZSCIOI-UHFFFAOYSA-N\n",
    "65013\tglycinamide\tBEBCJVAWIBVWNZ-UHFFFAOYSA-N\n",
    "66278\tgalacturonic acid iso-1\tAEMOLEFTQBMNLQ-BKBMJHBISA-N\n",
    "66311\t2-deoxyinosine\tVGONTNSXDCQUGY-RRKCRQDMSA-N\n",
    "66319\tcytidine\tUHDGCWIWMRVCDJ-XVFCMESISA-N\n",
    "66329\tD-erythro-sphingosine\tWWUZIQQURGPMPG-KRWOKUGFSA-N\n",
    "66347\t2'-deoxyguanosine\tYKBGVTZYEHREMT-KVQBGUIXSA-N\n",
    "66577\tkynurenine\tYGPSJZOEDVAXAB-UHFFFAOYSA-N\n",
    "66626\t3'-adenylic acid\tLNQVTSROQXJCDD-KQYNXXCUSA-N\n",
    "66700\txanthosine\tUBORTCNDUKBEOP-UUOKFMHZSA-N\n",
    "66909\t2,6-diaminopimelic acid\tGMKMEZVLHJARHF-UHFFFAOYSA-N\n",
    "68104\tphenylacetamide\tLSBDFXRDZJMBSC-UHFFFAOYSA-N\n",
    "68719\tbiphenyl\tZUOUZKKEUPVFJK-UHFFFAOYSA-N\n",
    "84082\tallantoin\tPOJWUDADGALRAB-UHFFFAOYSA-N\n",
    "84087\tmontanic acid\tUTOPWMOLSKOLTQ-UHFFFAOYSA-N\n",
    "84088\tN-acetylserine\tJJIHLJJYMXLCOY-BYPYZUCNSA-N\n",
    "84129\t3-dehydroshikimic acid\tSLWWJZMPHJJOPH-PHDIDXHHSA-N\n",
    "84153\ttriacontanol\tREZQBEBOWJAQKS-UHFFFAOYSA-N\n",
    "84184\t4-hydroxypyridine\tGCNTZFIIOFTKIY-UHFFFAOYSA-N\n",
    "84204\tgalactose-6-phosphate 2\tNBSCHQHZLSJFNQ-SVZMEOIVSA-N\n",
    "84205\tpentono-1,4-lactone\tYIXDEYPPAGPYDP-IUYQGCFVSA-N\n",
    "84382\tpanose\tZCLAHGAZPPEVDX-MQHGYYCBSA-N\n",
    "84386\tglutathione iso-2\tRWSXRVCMGQZWBV-WDSKDSINSA-N\n",
    "84531\t2-monoolein\tUPWGQKDVAURUGE-KTKRTIGZSA-N\n",
    "84561\tnorvaline\tSNDPXSYFESPGGJ-BYPYZUCNSA-N\n",
    "84667\tmannonic acid\tRGHNJXZEOKUKBD-MBMOQRBOSA-N\n",
    "84924\tindole-3-propionic acid\tGOLXRNDWAUTYKT-UHFFFAOYSA-N\n",
    "85102\t6-deoxyglucose\tPNNNRSAQSRJVSB-JGWLITMVSA-N\n",
    "85123\t4-hydroxybutyric acid\tSJZRECIVHVDYJC-UHFFFAOYSA-N\n",
    "85631\t2-hydroxyhippuric acid\tONJSZLXSECQROL-UHFFFAOYSA-N\n",
    "87361\tN-carbamoylaspartate\tHLKXYZVTANABHZ-REOHCLBHSA-N\n",
    "87363\tmannose-6-phosphate\tNBSCHQHZLSJFNQ-QTVWNMPRSA-N\n",
    "87703\tthymidine\tIQFYYKKMVGJFEH-XLPZGREQSA-N\n",
    "87704\tdocosenoic acid\tATNNLHXCRAAGJS-QZQOTICOSA-N\n",
    "87705\tacetoacetate\tWDJHALXBUFZDSR-UHFFFAOYSA-N\n",
    "87709\tdocosahexaenoic acid\tMBMBGCFOFBJSGT-KUBAVDMBSA-N\n",
    "87713\tcis-10-heptadecenoic acid\tGDTXICBNEOEPAZ-FPLPWBNLSA-N\n",
    "87715\telaidic acid\tZQPPMHVWECSIRJ-MDZDMXLPSA-N\n",
    "87720\tN-formylglycine\tUGJBHEZMOKVTIM-UHFFFAOYSA-N\n",
    "87783\tcis-gondoic acid\tBITHHVVYSMSWAG-KTKRTIGZSA-N\n",
    "87794\tn-epsilon-trimethyllysine\tMXNRLFUSFKVQSK-QMMMGPOBSA-O\n",
    "87881\toxamic acid\tSOWBFZRMHSNYGE-UHFFFAOYSA-N\n",
    "87944\tfructose-1-phosphate\tRHKKZBWRNHGJEZ-VRPWFDPXSA-N\n",
    "88042\tglucosaminic acid\tUFYKDFXCZBTLOO-TXICZTDVSA-N\n",
    "88055\tsorbose-6-phosphate\tGSXOAOHZAIYLCY-SRQIZXRXSA-N\n",
    "88056\t3,6-anhydro-d-galactose\tWZYRMLAWNVOIEX-BGPJRJDNSA-N\n",
    "88882\tpropylamine\tWGYKZJWCGVVSQN-UHFFFAOYSA-N\n",
    "89005\t2,3-dihydro-8-methoxyfuro(2,3-b)quinoline\tBBQSWPCXIWMWGH-UHFFFAOYSA-N\n",
    "89145\tundecanedioic acid\tLWBHHRRTOZQPDM-UHFFFAOYSA-N\n",
    "90787\t2-piperidinobenzonitrile\tMEBVSLLKZSAIGK-UHFFFAOYSA-N\n",
    "95409\tdeoxycholic acid\tKXGVEGMKQFWNSR-LLQZFEROSA-N\n",
    "95550\t1-phenylethylamine\tRQEUFEKYXDPUSK-UHFFFAOYSA-N\n",
    "97325\tmonomyristin\tDCBSHORRWZKAKO-UHFFFAOYSA-N\n",
    "97452\t9-myristoleate\tYWWVWXASSLXJHU-AATRIKPKSA-N\n",
    "97747\tN-acetylglycine\tOKJIRPAQVSHGFK-UHFFFAOYSA-N\n",
    "100032\tmonoarachidin\tUMEKPPOFCOUEDT-UHFFFAOYSA-N\n",
    "100060\tmonoheptadecanoyl glyceride\tSVUQHVRAGMNPLW-UHFFFAOYSA-N\n",
    "100335\tthreose\tFMAORJIQYMIRHF-BCDHYOAOSA-N\n",
    "100721\thexadecylglycerol\tOOWQBDFWEXAXPB-UHFFFAOYSA-N\n",
    "100863\tethylsuccinate\tLOLKAJARZKDJTD-UHFFFAOYSA-N\n",
    "100864\tgalacturonic acid iso-2\tAEMOLEFTQBMNLQ-DTEWXJGMSA-N\n",
    "100883\tdigalacturonic acid\tIGSYEZFZPOZFNC-LKIWRGPLSA-N\n",
    "100891\tpropyleneglycol\tDNIAPMSPPWPWGF-UHFFFAOYSA-N\n",
    "100892\tethanol phosphate\tZJXZSIYSNXKHEA-UHFFFAOYSA-N\n",
    "100903\tphenylethanol\tWRMNZCZEMHIOCP-UHFFFAOYSA-N\n",
    "100930\t3-furoic acid\tIHCCAYCGZOLTEU-UHFFFAOYSA-N\n",
    "101021\tacetaminophen\tRZVAJINKPMORJF-UHFFFAOYSA-N\n",
    "101022\tacetaminophen glucuronide\tIPROLSVTVHAQLE-BYNIDDHOSA-N\n",
    "101725\titaconic acid\tLVHBHZANLOWSRM-UHFFFAOYSA-N\n",
    "102232\thomocysteine\tFFFHZYDWPBMWHY-VKHMYHEASA-N\n",
    "102661\terythrose\tFMAORJIQYMIRHF-HERZVMAMSA-N\n",
    "102729\tbenzylalcohol\tWVDDGKGOMKODPV-UHFFFAOYSA-N\n",
    "102740\t5-Hydroxymethyl-2-furancarboxaldehyde\tNOEGNKMFWQHSLB-UHFFFAOYSA-N\n",
    "102784\tmevalonolactone\tJYVXNLLUYHCIIH-LURJTMIESA-N\n",
    "102808\tisomaltose\tDLRVVLDZNNYCBX-RTPHMHGBSA-N\n",
    "102846\tcatechin\tPFTAWBLQPZVEMU-DZGCQCFKSA-N\n",
    "102873\tdigitoxose\tJWFRNGYBHLBCMB-NGJCXOISSA-N\n",
    "103102\toctenoic acid\tIWPOSDLLFZKGOW-WAYWQWQTSA-N\n",
    "103216\tbenzamide\tKXDAEFPNCMNJSK-UHFFFAOYSA-N\n",
    "103838\t1,2-cyclohexanedione\tOILAIQUEIWYQPH-UHFFFAOYSA-N\n",
    "104101\tgentisic acid\tWXTMDXOMEHJXQO-UHFFFAOYSA-N\n",
    "104102\tresveratrol\tLUKBXSAWLPMMSZ-OWOJBTEDSA-N\n",
    "104210\tlignoceric acid\tQZZGJDVWLFXDLK-UHFFFAOYSA-N\n",
    "104248\tmonobehenin\tOKMWKBLSFKFYGZ-UHFFFAOYSA-N\n",
    "104361\tchenodeoxycholic acid\tRUDATBOHQWOJDD-BSWAIDMHSA-N\n",
    "104384\tbeta-glutamic acid\tBBJIPMIXTXKYLZ-UHFFFAOYSA-N\n",
    "104399\tepicholic acid\tBHQCQFFYRZLCQQ-UXWVVXDJSA-N\n",
    "104418\t3-hydroxypalmitic acid\tCBWALJHXHCJYTE-OAHLLOKOSA-N\n",
    "104444\t2,8-dihydroxyquinoline\tZXZKYYHTWHJHFT-UHFFFAOYSA-N\n",
    "104452\tphenaceturic acid\tUTYVDVLMYQPLQB-UHFFFAOYSA-N\n",
    "104598\toctadecylglycerol\tOGBUMNBNEWYMNJ-UHFFFAOYSA-N\n",
    "104901\tlactose\tGUBGYTABKSRVRQ-DCSYEGIMSA-N\n",
    "104954\tnorleucine\tLRQKBLKVPFOOQJ-YFKPBYRVSA-N\n",
    "105216\t5-methyluridine\tDWRXFEITVBNRMK-JXOAFFINSA-N\n",
    "105385\ttocopherol delta\tGZIFEOYASATJEH-VHFRWLAGSA-N\n",
    "105914\tsucrose-6-phosphate\tWQQSIXKPRAUZJL-UGDNZRGBSA-N\n",
    "106285\t2-hydroxyhexanoic acid\tNYHNVHGFPZAZGA-UHFFFAOYSA-N\n",
    "106406\tricinoleic acid\tWBHHMMIMDMUBKC-QJWNTBNXSA-N\n",
    "106429\t2-ketoadipic acid\tFGSBNBBHOZHUBO-UHFFFAOYSA-N\n",
    "106488\tdiethanolamine\tZBCBWPMODOFKDW-UHFFFAOYSA-N\n",
    "106683\tcystathionine\tILRYLPWNYFXEMH-UHFFFAOYSA-N\n",
    "106901\t1-methyladenosine\tGFYLSDSUCHVORB-IOSLPCCCSA-N\n",
    "106926\tglutamyl-valine\tSITLTJHOQZFJGG-XPUUQOCRSA-N\n",
    "107381\t1,2-dihydroxycylohexane\tPFURGBBHAOXLIO-UHFFFAOYSA-N\n",
    "107862\tmethylparaben\tLXCFILQKKLGQFO-UHFFFAOYSA-N\n",
    "107897\t3-ureidopropionate\tJSJWCHRYRHKBBW-UHFFFAOYSA-N\n",
    "107907\t2-ketoisovaleric acid\tQHKABHOOEWYVLI-UHFFFAOYSA-N\n",
    "107909\tphenylpyruvate\tBTNMPGBKDVTSJY-UHFFFAOYSA-N\n",
    "108124\tadrenaline\tUCTWMZQNUQWSLP-VIFPVBQESA-N\n",
    "108125\tnoradrenaline\tSFLSHLFXELFNJZ-QMMMGPOBSA-N\n",
    "108301\tsulfurol\tBKAWJIRCKVUVED-UHFFFAOYSA-N\n",
    "110036\t1-methylhydantoin\tRHYBFKMFHLPQPH-UHFFFAOYSA-N\n",
    "110189\tbeta-alanyl lysine\tPLDCWKCPEXNWJH-ZETCQYMHSA-N\n",
    "110203\tfructose-1,6-bisphosphate\tRNBGYGVWRKECFJ-ARQDHWQXSA-N\n",
    "110251\to-toluic acid\tZWLPBLYKEWSWPD-UHFFFAOYSA-N\n",
    "110304\tzymosterol\tCGSJXLIKVBJVRY-XTGBIJOFSA-N\n",
    "110341\t3-(4-hydroxyphenyl)propionic acid\tNMHMNPHRMNGLLB-UHFFFAOYSA-N\n",
    "110355\tglycyl-glycine\tYMAWOPBAYDPSLA-UHFFFAOYSA-N\n",
    "110403\tcholic acid\tBHQCQFFYRZLCQQ-OELDTZBJSA-N\n",
    "111270\tlindane\tJLYXXMFPNIAWKQ-UHFFFAOYSA-N\n",
    "111277\t1,2,4-trichlorobenzene\tPBKONEOXTCPAFI-UHFFFAOYSA-N\n",
    "111287\tp,p-DDT\tYVGGHNCTFXOJCH-UHFFFAOYSA-N\n",
    "111292\tp,p-DDD\tAHJKRLASYNVKDZ-UHFFFAOYSA-N\n",
    "111294\tp,p-DDE\tUCNVFOCBFJOQAL-UHFFFAOYSA-N\n",
    "111312\t2,4-dichloro-1-(2-chloroethenyl)-benzene\tXWEMGFGRWJFXST-ONEGZZNKSA-N\n",
    "111728\turocanic acid\tLOIYMIARKYCTBW-OWOJBTEDSA-N\n",
    "111747\tN-acetylalanine\tKTHDTJVBEPMMGL-VKHMYHEASA-N\n",
    "111823\ttrehalose\tHDTRYLNUVZCQOY-LIZSDCNHSA-N\n",
    "112716\t5-ketogluconate\tIZSRJDGCGRAUAR-MROZADKFSA-N\n",
    "113612\tallothreonine\tAYFVYJQAPQTCCC-HRFVKAFMSA-N\n",
    "113643\t3-phenyllactic acid\tVOXXWSYKYCBWHO-UHFFFAOYSA-N\n",
    "114235\tpalatinitol\tSERLAGPUMNYUCK-DCUALPFSSA-N\n",
    "114257\t6-hydroxynicotinic acid\tBLHCMGRVFXRYRN-UHFFFAOYSA-N\n",
    "115854\tdaidzein\tZQSIJRDFPHDXIC-UHFFFAOYSA-N\n",
    "117193\tsinigrin iso-1\tQKFAFSGJTMHRRY-OCFLFPRFSA-M\n",
    "117211\tmaltotriitol iso-3\tXJCCHWKNFMUJFE-CGQAXDJHSA-N\n",
    "117487\tphytanic acid\tRLCKHJSFHOZMDR-GUDVDZBRSA-N\n",
    "117784\tisobiopterin\tLNXRKRFGNHXANN-UHFFFAOYSA-N\n",
    "118790\t2-methylglutaric acid\tAQYCMVICBNBXNA-UHFFFAOYSA-N\n",
    "118963\to-phosphoserine\tBZQFBWGGLXLEPQ-REOHCLBHSA-N\n",
    "118969\t5,6-dihydrouracil\tOIVLITBTBDPEFK-UHFFFAOYSA-N\n",
    "119028\tpentobarbital\tWEXRUCMBJFQVBZ-UHFFFAOYSA-N\n",
    "119053\tkynurenic acid\tHCZHHEIFKROPDY-UHFFFAOYSA-N\n",
    "119142\t(5E)-isovitamin D3\tLMBGVVOJTGHJNP-FVUVGDFOSA-N\n",
    "120082\tO-succinylhomoserine\tGNISQJGXJIDKDJ-YFKPBYRVSA-N\n",
    "120464\tisobutylamine\tKDSNLYIMUZNERS-UHFFFAOYSA-N\n",
    "120765\thexadecane\tDCAYPVUWAIABOU-UHFFFAOYSA-N\n",
    "121035\t2-picolinic acid\tSIOXPEMLGUPBBT-UHFFFAOYSA-N\n",
    "121461\tgallocatechin\tXMOCLSLCDHWDHP-SWLSCSKDSA-N\n",
    "122191\theptanoic acid\tMNWFXJYAOYHMED-UHFFFAOYSA-N\n",
    "122856\tN-cyclohexylsulfamic acid\tHCAJEUSONLESMK-UHFFFAOYSA-N\n",
    "124389\tcinnamoylglycine\tYAADMLWHGMUGQL-VOTSOKGWSA-N\n",
    "124439\t2-aminophenol\tCDAWCLOXVUBKRW-UHFFFAOYSA-N\n",
    "125664\t1,3,5-trimethylcyanuric acid\tAHWDQDMGFXRVFB-UHFFFAOYSA-N\n",
    "125835\t3-hydroxybenzoic acid\tIJFXRHURBJZNAO-UHFFFAOYSA-N\n",
    "125981\tbeta-hydroxymyristic acid\tATRNZOYKSNPPBF-UHFFFAOYSA-N\n",
    "125985\t2,4,7-trihydroxypteridine\tBCVUYVOMXUKYFC-UHFFFAOYSA-N\n",
    "126281\tguanidine\tZRALSGWEFCBTJO-UHFFFAOYSA-N\n",
    "126301\tlithocholic acid\tSMEROWZSTRWXGI-HVATVPOCSA-N\n",
    "126305\t4-methylbenzenesulfonamide\tLMYRWZFENFIFIT-UHFFFAOYSA-N\n",
    "126321\t4-aminobenzoic acid\tALYNCZNDIQEVRV-UHFFFAOYSA-N\n",
    "126322\tdesyrel\tOHHDIOKRWWOXMT-UHFFFAOYSA-N\n",
    "126323\tdiclofenac\tDCOPUUMXTXDBNB-UHFFFAOYSA-N\n",
    "126425\tbenzylamine\tWGQKYBSKWIADBV-UHFFFAOYSA-N\n",
    "127668\tenterolactone\tHVDGDHBAMCBBLR-PBHICJAKSA-N\n",
    "127681\tisopentadecanoic acid\tZOCYQVNGROEVLU-UHFFFAOYSA-N\n",
    "127688\teicosanol\tBTFJIXJJCSYFAL-UHFFFAOYSA-N\n",
    "127696\tisomyristic acid\tYYVJAABUJYRQJO-UHFFFAOYSA-N\n",
    "127717\tcinnamic acid\tWBYWAXJHAXSJNI-VOTSOKGWSA-N\n",
    "127978\tmevalonic acid\tKJTLQQUUPVSXIM-ZCFIWIBFSA-N\n",
    "128089\thexadecenoyl glycerol\tCXUXMSACCLYMBI-FPLPWBNLSA-N\n",
    "128091\tpentadecanoyl glycerol\tQSKPZDMBULYMDQ-KRWDZBQOSA-N\n",
    "128095\teicosenoyl glycerol\tHPTOSMWVVSKAGZ-DYYZXQNHSA-N\n",
    "128096\tnervonic acid\tGWHCXVQVJPWHRF-KTKRTIGZSA-N\n",
    "129846\tcis-p-coumaric acid\tNGSWKAQJJWESNS-UTCJRWHESA-N\n",
    "129849\tformononetin\tHKQYGTCOTHHOMP-UHFFFAOYSA-N\n",
    "129905\t5,7-dihydroxy-4'-methoxyisoflavone\tWUADCCWRTIWANL-UHFFFAOYSA-N\n",
    "131146\tpentono-gamma-lactone\tCUOKHACJLGPRHD-UHFFFAOYSA-N\n",
    "131590\tp-hydroxylphenyllactic acid\tJVGVDSSUAVXRDY-UHFFFAOYSA-N\n",
    "131618\tx-methyladenosine\tVQAYFKKCNSOZKM-IOSLPCCCSA-N\n",
    "131668\tsinigrin iso-2\tQKFAFSGJTMHRRY-AVHZNCSWSA-M\n",
    "131683\tsinigrin iso-3\tQKFAFSGJTMHRRY-ICSBZGNSSA-M\n",
    "131722\tadipic acid, cyclopentylmethyl hexyl ester\tGOSSJMUDZXUZOY-UHFFFAOYSA-N\n",
    "131996\tN-acetyl-D-tryptophan\tDZTHIGRZJZPRDV-GFCCVEGCSA-N\n",
    "132262\t1,3-diaminopropane\tXFNJVJPLKCPIBV-UHFFFAOYSA-N\n",
    "133004\t3-(1-pyrazolyl)-L-alanine\tPIGOPELHGLPKLL-YFKPBYRVSA-N\n",
    "133141\t3,4-dihydroxybenzylamine\tYFMPSMITLLBENU-UHFFFAOYSA-N\n",
    "133242\tdecane\tDIOQZVSQGTUSAI-UHFFFAOYSA-N\n",
    "133475\tlanosterol\tCAHGCLMLTWQZNJ-BQNIITSRSA-N\n",
    "133583\t4-aminophenol\tPLIKAWJENQZMHA-UHFFFAOYSA-N\n",
    "134404\tpregnenolone\tORNBQBCIOKFOEO-QGVNFLHTSA-N\n",
    "134669\t3,5-dihydroxyphenylglycine\tHOOWCUZPEFNHDT-UHFFFAOYSA-N\n",
    "135548\tbenzothiazole\tIOJUPLGTWVMSFF-UHFFFAOYSA-N\n",
    "137341\tlipoic acid\tAGBQKNBQESQNJD-UHFFFAOYSA-N\n",
    "137363\tstyrene\tPPBRXRYQALVLMV-UHFFFAOYSA-N\n",
    "146263\tketo-hexonic acid\tVBUYCZFBVCCYFD-UHFFFAOYSA-N\n",
    "146315\tgenistein\tTZBJGXHYKVUXJN-UHFFFAOYSA-N\n",
    "146343\tquinolinic acid\tGJAWHXHKYYXBSV-UHFFFAOYSA-N\n",
    "146921\t6-amino-1-methyluracil\tGZLZRPNUDBIQBM-UHFFFAOYSA-N\n",
    "160771\ttocopherol acetate\tZAKOWWREFLAJOT-CEFNRUSXSA-N\n",
    "160784\tsebacic acid\tCXMXRPHRNRROMY-UHFFFAOYSA-N\n",
    "160961\t2,6-dimethyl-3-ethylpyridine\tVSLXJOHTVOZTNF-UHFFFAOYSA-N\n",
    "161362\tmyristyl myristate\tDZKXJUASMGQEMA-UHFFFAOYSA-N\n",
    "168773\tisononanoic acid\tXZOYHFBNQHPJRQ-UHFFFAOYSA-N\n",
    "169612\tbicine\tFSVCELGFZIQNCK-UHFFFAOYSA-N\n",
    "169995\tmetharbital\tFWJKNZONDWOGMI-UHFFFAOYSA-N\n",
    "170069\t2-hydroxyisovaleric acid\tNGEWQZIDQIYUNV-UHFFFAOYSA-N\n",
    "170271\tcholesterone\tNYOXRYYXRWJDKP-GYKMGIIDSA-N\n",
    "170351\tethylmalonic acid\tUKFXDFUAPNAMPJ-UHFFFAOYSA-N\n",
    "170824\tsarcosine\tFSYKKLYZXJSNPZ-UHFFFAOYSA-N\n",
    "171048\ttryptophol\tMBBOMCVGYCRMEA-UHFFFAOYSA-N\n",
    "171211\tphytosphingosine\tAERBNCYCJBRYDG-KSZLIROESA-N\n",
    "171547\t2-methylalanine\tFUOOLUPWFVMBKG-UHFFFAOYSA-N\n",
    "171823\tpyridoxine\tLXNHXLLTXMVWPM-UHFFFAOYSA-N\n",
    "171826\tpropyl gallate\tZTHYODDOHIVTJV-UHFFFAOYSA-N\n",
    "183508\tsuberic acid\tTYFQFVWCELRYAO-UHFFFAOYSA-N\n",
    "187486\tile-ile\tBCVIOZZGJNOEQS-XKNYDFJKSA-N\n",
    "187841\tkaempferol\tIYRMWMYZSQPJKC-UHFFFAOYSA-N\n",
    "188304\t2-deoxyadenosine\tOLXZPDWKRNYJJZ-UHFFFAOYSA-N\n",
    "188933\tsynephrine\tYRCWQPVGYLYSOX-UHFFFAOYSA-N\n",
    "191840\tphloroglucinol\tQCDYQQDYXPDABM-UHFFFAOYSA-N\n",
    "196279\tflavin adenine\tIMGVNJNCCGXBHD-UYBVJOGSSA-O\n",
    "199089\tdimethylglycine\tFFDGPVCHZBVARC-UHFFFAOYSA-N\n",
    "204584\tm-cresol\tRLSSMJSEOOYNOY-UHFFFAOYSA-N\n",
    "207444\t2-hydroxyquinoline\tLISFMEBWQUVKPJ-UHFFFAOYSA-N\n",
    "208761\tN-acetylglutamic acid\tRFMMMVDNIPUKGG-UHFFFAOYSA-N\n",
    "210249\tribulose\tZAQJHHRNXZUBTE-NQXXGFSBSA-N\n",
    "210260\tmandelic acid\tIWYDHOAUDWTVEP-UHFFFAOYSA-N\n",
    "210667\t4-hydroxyphenylpyruvic acid\tKKADPXVIOXHVKN-UHFFFAOYSA-N\n",
    "210668\t4-hydroxy-6-methyl-2-pyrone\tNSYSSMYQPLSPOD-UHFFFAOYSA-N\n",
    "211177\tN-acetylmethionine\tXUYPXLNMDZIRQH-LURJTMIESA-N\n",
    "213180\tcampesterol\tSGNBVLSWZMBQTH-PODYLUTMSA-N\n",
    "214363\tmenthol\tNOOLISFMXDJSKH-UHFFFAOYSA-N\n",
    "215853\t3-aminopiperidine-2,6-dione\tNPWMTBZSRRLQNJ-UHFFFAOYSA-N\n",
    "221575\tprogesterone\tRJKFOVLPORLFTN-LEKSSAKUSA-N\n",
    "223222\tsalicyl alcohol\tCQRYARSYNCAZFO-UHFFFAOYSA-N\n",
    "223289\tn-acetylleucine\tWXNXCEHXYPACJF-ZETCQYMHSA-N\n",
    "224998\thistamine\tNTYJJOPFIAHURM-UHFFFAOYSA-N\n",
    "228129\t2-deoxyribose-5-Phosphate\tKKZFLSZAWCYPOC-VPENINKCSA-N\n",
    "228130\t5-deoxyribulose 1-phosphate\tAVEHMJVDRGMBHD-NQXXGFSBSA-L\n",
    "234848\tmonolaurin\tARIWANIATODDMH-UHFFFAOYSA-N\n",
    "250566\tN-formylmethionine\tPYUSHNKNPOHWEZ-YFKPBYRVSA-N\n",
    "316099\tvanillylmandelic acid\tCGQCWMIAEPEHNQ-UHFFFAOYSA-N\n",
    "316368\tpyridoxal\tRADKZDMFGJYCBB-UHFFFAOYSA-N\n",
    "321454\t5-deoxyribose\tWDRISBUVHBMJEF-MROZADKFSA-N\n",
    "322548\tdehydrocholesterol\tUCTLRSWJYQTBFZ-DDPQNLDTSA-N\n",
    "327647\t6-methylcholecalciferol\tIPTVHOFZPYPBSY-DGOOAFQXSA-N\n",
    "327662\t9,12-Hexadecadienoic acid\tRVEKLXYYCHAMDF-AOSYACOCSA-N\n",
    "341140\ttetracosanol\tTYWMIZZBOVGFOV-UHFFFAOYSA-N\n",
    "341304\t2-ketohexonic acid\tVBUYCZFBVCCYFD-JJYYJPOSSA-N\n",
    "341985\tnonadecenoic acid\tINKQLYSQWHBEGS-ISLYRVAYSA-N\n",
    "342007\t2-deoxyadenosine-5-monophosphate\tKHWCHTKSEGGWEX-RRKCRQDMSA-N\n",
    "343142\tBDE-47\tXYBSIYMGXVUVGY-UHFFFAOYSA-N\n",
    "344756\tmethylsuccinic acid\tWXUAQHNMJWJLTG-UHFFFAOYSA-N\n",
    "344793\tglucuronic acid\tAEMOLEFTQBMNLQ-AQKNRBDQSA-N\n",
    "346480\tthymidine-diphosphate\tUJLXYODCHAELLY-XLPZGREQSA-N\n",
    "346481\t2-deoxyuridine\tMXHRCPNRJAMMIM-SHYZEUOFSA-N\n",
    "346661\tdeoxyglucose\tVRYALKFFQXWPIH-PBXRRBTRSA-N\n",
    "351228\t1-lignoceroylglycerol\tKIWLCEXSSGNBJU-UHFFFAOYSA-N\n",
    "355471\tisopropylbenzene\tRWGFKTVRMDUZSP-UHFFFAOYSA-N\n",
    "355614\tguanosine 2,3 cyclic phosphate\tUASRYODFRYWBRC-UUOKFMHZSA-N\n",
    "360115\tmonopalmitolein\tKVYUBFKSKZWZSV-FPLPWBNLSA-N\n",
    "360127\ttriethanolamine\tGSEJCLTVZPLZKY-UHFFFAOYSA-N\n",
    "360149\tcreatine\tCVSVTCORWBXHQV-UHFFFAOYSA-N\n",
    "361955\tsalicin\tNGFMICBWJRZIBI-UJPOAAIJSA-N\n",
    "365771\tisooctadecanol\tWNWHHMBRJJOGFJ-UHFFFAOYSA-N\n",
    "366189\teicosadienoic acid\tXSXIVVZCUAHUJO-HZJYTTRNSA-N\n",
    "367556\tlimonene\tXMGQYMWWDOXHJM-UHFFFAOYSA-N\n",
    "369227\tN-tris(hydroxymethyl)methyl-2-aminoethanesulfo...\tJOCBASBOOFNAJA-UHFFFAOYSA-N\n",
    "369952\tisouracil\tQIPKQEKUQASMNI-UHFFFAOYSA-N\n",
    "369954\t9-hydroxydec-2-enoic acid\tDZBLNYYGAKHAOJ-UHFFFAOYSA-N\n",
    "378741\tL-altrose\tWQZGKKKJIJFFOK-VSOAQEOCSA-N\n",
    "378816\tn-methylalanine\tGDFAOVXKHJXLEI-VKHMYHEASA-N\n",
    "378838\tguanosine-5-phosphate\tRQFCJASXJCIDSX-UUOKFMHZSA-N\n",
    "378992\tglyceraldehyde\tMNQZXJOMYWMBOU-UHFFFAOYSA-N\n",
    "381497\tn-acetylaspartate diethylester\tXQGDGRNHLJLQOV-QMMMGPOBSA-N\n",
    "382599\tglucoheptose\tYPZMPEPLWKRVLD-PJEQPVAWSA-N\n",
    "382603\tcoprostan-3-one\tPESKGJQREUXSRR-JDIFZLMISA-N\n",
    "382951\tisoferulic acid\tQURCVMIEKCOAJU-HWKANZROSA-N\n",
    "384971\tmonolinolein\tWECGLUPZRHILCT-HZJYTTRNSA-N\n",
    "386406\t2-deoxyglucose\tPMMURAAUARKVCB-ZXXMMSQZSA-N\n",
    "386802\t1,10-phenantroline\tDGEZNRSVGBDHLK-UHFFFAOYSA-N\n",
    "389048\t5-hydroxytryptophan\tLDCYZAJDBXYCGN-UHFFFAOYSA-N\n",
    "389050\t3-hydroxyanthralinic acid\tWJXSWCUQABXPFS-UHFFFAOYSA-N\n",
    "389053\tpyridoxamine\tNHZMQXZHNVQTQA-UHFFFAOYSA-O\n",
    "390219\tpsicose\tBJHIKXHVCXFQLS-ZXEDONINSA-N\n",
    "390221\t4-aminohippuric acid\tHSMNQINEKMPTIC-UHFFFAOYSA-N\n",
    "391364\tcis-8-heptadecenoic acid\tZBIGLIMGCLJKHN-KTKRTIGZSA-N\n",
    "391875\t2,3-bisphosphoglyceric acid\tXOHUEYCVLUUEJJ-UHFFFAOYSA-N\n",
    "391899\tkojic acid\tBEJNERDRQOWKJM-UHFFFAOYSA-N\n",
    "393681\tglyceraldehyde-3-phosphate\tLXJXRIRHZLFYRP-UHFFFAOYSA-N\n",
    "401459\tisocaproic acid\tFGKJLKRYENPLQH-UHFFFAOYSA-N\n",
    "401821\thomovanillyl alcohol\tXHUBSJRBOQIZNI-UHFFFAOYSA-N\n",
    "401886\t10-hydroxydecanoic acid\tYJCJVMMDTBEITC-UHFFFAOYSA-N\n",
    "401892\t10-hydroxy-2E-decenoic acid\tQHBZHVUGQROELI-SOFGYWHQSA-N\n",
    "401918\taniline\tPAYRUJLWNCNPSJ-UHFFFAOYSA-N\n",
    "401954\tdecanol\tMWKFXSUHUHTGQN-UHFFFAOYSA-N\n",
    "403808\tturanose\tRULSWEULPANCDV-PIXUTMIVSA-N\n",
    "411124\tgulonolactone\tSXZYCXMUPBBULW-LECHCGJUSA-N\n",
    "411706\thydroxyindoleacetate isomer\tDUUGKQCEGZLZNO-UHFFFAOYSA-M\n",
    "412121\t9-oxo-2-decenoic acid\tINJRDZMWIAYEMM-SOFGYWHQSA-N\n",
    "412761\tundecanoic acid\tZDPHROOEEOARMN-UHFFFAOYSA-N\n",
    "413022\to-cresol\tQWVGKYWNOKOFNN-UHFFFAOYSA-N\n",
    "415364\tPCB-187\tUDMZPLROONOSEF-UHFFFAOYSA-N\n",
    "418006\tallylbenzene\tHJWLCRVIBGQPNF-UHFFFAOYSA-N\n",
    "422058\tmalonamide\tWRIRWRKPLXCTFD-UHFFFAOYSA-N\n",
    "471165\t2-ethylcaproic acid\tOBETXYAYXDNJHR-UHFFFAOYSA-N\n",
    "473386\tmonononadecanoyl glyceride\tWWTTXMMZHOBTAM-UHFFFAOYSA-N\n",
    "473972\terythronic acid lactone\tIKMKBKLESWIEFA-UHFFFAOYSA-N\n",
    "474103\tN-methylethanolamine\tOPKOKAMJFNKNAS-UHFFFAOYSA-N\n",
    "474205\tglutathione iso-1\tRWSXRVCMGQZWBV-WDSKDSINSA-M\n",
    "474658\t2,3-diaminopropionic acid\tPECYZEOJVXMISF-REOHCLBHSA-N\n",
    "476172\tneohesperidin\tARGKVCXINMKCAZ-BKCQJFQGSA-N\n",
    "482444\t2-ketomethionine (2-oxo-4-methylthiobutanoic a...\tSXFSQZDSUWACKX-UHFFFAOYSA-N\n",
    "482469\t3-hydroxynorvaline\tLGVJIYCMHMKTPB-UHFFFAOYSA-N\n",
    "```"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "0c16a6a5",
   "metadata": {},
   "source": [
    "## Unknowns"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "ca0690e1",
   "metadata": {},
   "source": [
    "The following are possible value choices for unknown compounds in BinDiscover"
   ]
  },
  {
   "cell_type": "markdown",
   "id": "3aa1cacb",
   "metadata": {},
   "source": [
    "```\n",
    "'189367', '379122', '4713', '87834', '218741', '125810', '380434', '387762', '66759', '402335', '324257', '418740', '379863', '344794', '225320', '378595', '406766', '26715', '170275', '377956', '360151', '134683', '133003', '104366', '379803', '25463', '34062', '62827', '2066', '380142', '329115', '215632', '380411', '378073', '110328', '345191', '379735', '102122', '380044', '390121', '377789', '233138', '380560', '170999', '379383', '341168', '46298', '321142', '379563', '406853', '170127', '260', '347771', '379523', '380323', '378877', '134019', '390149', '204019', '450123', '102584', '188927', '231187', '421350', '208590', '327369', '376969', '110285', '342868', '46166', '379463', '379282', '341976', '110821', '224100', '240087', '131107', '168772', '341923', '131102', '210475', '324215', '401861', '21809', '380407', '171561', '378844', '170495', '358129', '113563', '341673', '172632', '380609', '168801', '378571', '475664', '341252', '378614', '377094', '234456', '377643', '102776', '456953', '210885', '377899', '317494', '379496', '377331', '458505', '382062', '379202', '395848', '378332', '46213', '378102', '379090', '4265', '234566', '227265', '133219', '379336', '378684', '105643', '4269', '371548', '219413', '471774', '171578', '401109', '386901', '130799', '105072', '107237', '341637', '395302', '379057', '223177', '380623', '395383', '223077', '380491', '105768', '42003', '379292', '378449', '1870', '88892', '34467', '422802', '130597', '130641', '130549', '168844', '110803', '403971', '189981', '417805', '379493', '124801', '378617', '210443', '133329', '398604', '130712', '170313', '422744', '34144', '31979', '225070', '104379', '379324', '378757', '406731', '377315', '380547', '418081', '46389', '413543', '505372', '382622', '105250', '377108', '380291', '210349', '133249', '396036', '380592', '41805', '343297', '17005', '105615', '380372', '365939', '474326', '376914', '425119', '384976', '378470', '475793', '316374', '411226', '353939', '378878', '124567', '27152', '378271', '214552', '88850', '417904', '18268', '367984', '34073', '377311', '413614', '41821', '17223', '12330', '362184', '124618', '380490', '379963', '366187', '385011', '31621', '406851', '233775', '161363', '234439', '379531', '17770', '210560', '369949', '378040', '215775', '88047', '126909', '399839', '384969', '32504', '377164', '418155', '234659', '342929', '125982', '379723', '360129', '378268', '210431', '378511', '473974', '210476', '22761', '171549', '346904', '170784', '378732', '380091', '225211', '133202', '384981', '189365', '391283', '1922', '4758', '22022', '234502', '214730', '377201', '378688', '210306', '376832', '224156', '342834', '210295', '384894', '412746', '318175', '1744', '456972', '168886', '380542', '64557', '210714', '379085', '379014', '4753', '130609', '378759', '220', '377668', '342056', '168872', '230880', '84115', '134752', '220224', '94799', '196548', '66829', '133410', '132165', '170064', '377355', '130475', '171572', '100584', '125824', '321455', '23001', '133192', '46237', '215878', '228318', '361168', '377723', '205157', '1722', '46375', '379752', '369221', '360159', '17726', '62253', '103175', '103190', '18189', '210510', '380638', '378484', '20281', '146254', '133090', '31547', '215810', '188950', '377982', '379779', '329442', '471787', '411314', '133773', '62265', '376900', '378309', '100050', '106213', '365744', '359808', '168846', '210660', '189279', '377269', '250506', '324214', '48603', '124568', '17172', '417906', '378481', '215857', '380402', '102727', '84181', '376942', '14748', '210416', '380612', '377803', '378109', '210273', '27160', '250811', '341131', '189361', '377688', '47224', '3183', '224312', '378973', '214153', '3219', '253520', '377163', '377274', '95462', '2044', '125868', '127277', '378180', '379058', '342934', '133706', '66349', '130809', '395930', '100321', '384889', '387881', '361640', '92740', '444785', '225803', '17466', '120744', '396796', '34173', '889', '390188', '417969', '1735', '210307', '237291', '379739', '16994', '134408', '387822', '110881', '422743', '360146', '378413', '378260', '129857', '378209', '377644', '382615', '111793', '104986', '104903', '48442', '84191', '329124', '384990', '377026', '133216', '31456', '104962', '412755', '5968', '1705', '34091', '401953', '213082', '317213', '390209', '170974', '321546', '210494', '250511', '366094', '384919', '324860', '16648', '377867', '378361', '210350', '379343', '458495', '17082', '18169', '384883', '66261', '42529', '360105', '85185', '133778', '378105', '17341', '66291', '361998', '8619', '379386', '397671', '34158', '359810', '253863', '473742', '361997', '234959', '185031', '110919', '321451', '379284', '376922', '135889', '376944', '132255', '17007', '393628', '342732', '378131', '122227', '379764', '160857', '145492', '34162', '106331', '379088', '114247', '379581', '172628', '327416', '377483', '377784', '365156', '474325', '324211', '88907', '127628', '33468', '341917', '110819', '133272', '188965', '375702', '377606', '134128', '160221', '324450', '105373', '168878', '421370', '170221', '65100', '112602', '1767', '376937', '122801', '134629', '168874', '228305', '33381', '110566', '103180', '355603', '382944', '125189', '390179', '34059', '133925', '118854', '379936', '105383', '378190', '348935', '379546', '210329', '89417', '129860', '48702', '406849', '43770', '210258', '378612', '353818', '17727', '405541', '228835', '357376', '379229', '239634', '13177', '380096', '377822', '417907', '327607', '471795', '380419', '95469', '329111', '377285', '378993', '106701', '412728', '43100', '41985', '346406', '376973', '43715', '379514', '17225', '342029', '422827', '250587', '224115', '6049', '228360', '2088', '413838', '3203', '125885', '133235', '210246', '228336', '3081', '102731', '342949', '210340', '379502', '379208', '377912', '355797', '17537', '378405', '16578', '389539', '323784', '413126', '379162', '366134', '18085', '4986', '210247', '376849', '379660', '411128', '356981', '17247', '241309', '360104', '17463', '106359', '360925', '189508', '223211', '88059', '124490', '401270', '417688', '39801', '381203', '377276', '378656', '229602', '43738', '379899', '210223', '370160', '387892', '378893', '84214', '328860', '379931', '22223', '124593', '342874', '347979', '486209', '205725', '125889', '233093', '376917', '379513', '378152', '390395', '18168', '378048', '14810', '380535', '17441', '228081', '46459', '117260', '378006', '16874', '378813', '365144', '170314', '378699', '18141', '380010', '377582', '379360', '160946', '17145', '376953', '212715', '234526', '377075', '124563', '250691', '210586', '378051', '17705', '233657', '378637', '384613', '377155', '113505', '122151', '16904', '505496', '17833', '348829', '106353', '16887', '329382', '377864', '1672', '208249', '458551', '146585', '380678', '171047', '379235', '351737', '377084', '401914', '380481', '474185', '223421', '66275', '378861', '210532', '380333', '18304', '379077', '380378', '135572', '347168', '412744', '378776', '408458', '473975', '379391', '145645', '95679', '5884', '3216', '46128', '66324', '377103', '168769', '377008', '168857', '210453', '189265', '234926', '379823', '355607', '17127', '127661', '380527', '380145', '380278', '117162', '402296', '3044', '41699', '358167', '14801', '380429', '382604', '16757', '376958', '124968', '66891', '352107', '117171', '340673', '104994', '64737', '84163', '189735', '379587', '380305', '41996', '160821', '212472', '379334', '379387', '88847', '378031', '404049', '346264', '377588', '380110', '225117', '377561', '324251', '41868', '377584', '1772', '342534', '170830', '380183', '236840', '168860', '110616', '474246', '351043', '104391', '378070', '363804', '1120', '171058', '327356', '17174', '4929', '66514', '17324', '131197', '4983', '471771', '474908', '172630', '378419', '207449', '384901', '21733', '168869', '46288', '321320', '377336', '377296', '348813', '21768', '377056', '66582', '127359', '43714', '359863', '360671', '379009', '130613', '64586', '170522', '474229', '113531', '401853', '391355', '12012', '120466', '87362', '378418', '104138', '378911', '401835', '385010', '34177', '215929', '4766', '354263', '347190', '134730', '34145', '88861', '171291', '110131', '133267', '17236', '391873', '412738', '474642', '475672', '350866', '329130', '118025', '17832', '117028', '376932', '210297', '377517', '377404', '474189', '469405', '365152', '324253', '16869', '26756', '379966', '377024', '225074', '378752', '210221', '16694', '224099', '43719', '379450', '380697', '6300', '379989', '6331', '168870', '21657', '27184', '378976', '31553', '384984', '250536', '131474', '377378', '378657', '132379', '380426', '210505', '102733', '127702', '133233', '84544', '354252', '342076', '379052', '253508', '389794', '380217', '380279', '406904', '223241', '51865', '31577', '378185', '407317', '377837', '378870', '124504', '47358', '17863', '189245', 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'387799', '324466', '379398', '378261', '100882', '18269', '22122', '161876', '34028', '223249', '110789', '168830', '342721', '210554', '46209', '379412', '391876', '379911', '17227', '113898', '390125', '228306', '378091', '389984', '4930', '414450', '170897', '395274', '16628', '318184', '378767', '382085', '377466', '379390', '356925', '324205', '4745', '171293', '42928', '377309', '89212', '223106', '188569', '17776', '376874', '107050', '378224', '379355', '5990', '351231', '351728', '168788', '378424', '43766', '4981', '348834', '378714', '376864', '106492', '210881', '379337', '5558', '377288', '171583', '377346', '234730', '361153', '17509', '102735', '378938', '16566', '377970', '341667', '210248', '4725', '377933', '31269', '43801', '422742', '377424', '134177', '326253', '125457', '106707', '376875', '108052', '378667', '379893', '210993', '341266', '84405', '398781', '124952', '89250', '228390', '168783', '384909', '5256', '377564', '210244', '380232', '350329', '378721', 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'378366', '358191', '378408', '189913', '377954', '84923', '4533', '34061', '204585', '34008', '400551', '4603', '125830', '320869', '110040', '376929', '4534', '385018', '376825', '210337', '388667', '171040', '377376', '381736', '377812', '106921', '42705', '400248', '43706', '3503', '377133', '124336', '46308', '125818', '110000', '253516', '380641', '456917', '384906', '133340', '377825', '342863', '327541', '119091', '133953', '113569', '126423', '399795', '133347', '391884', '416565', '168795', '351806', '106950', '124353', '380186', '389994', '381606', '1690', '112261', '210365', '387788', '108840', '234472', '134627', '390143', '5575', '366008', '341132', '384832', '170468', '474028', '22064', '26743', '321066', '379480', '360152', '14719', '234495', '395982', '425881', '376824', '344601', '110641', '396343', '104312', '377971', '399920', '416680', '146224', '104904', '133181', '377809', '379294', '390210', '23190', '17340', '379486', '189224', '364167', '224190', '458497', '378619', '17136', '364106', '344761', '215664', '17722', '377520', '211130', '377986', '196536', '210574', '378423', '223202', '366121', '110282', '104233', '121385', '379600', '402017', '4835', '377817', '223203', '378115', '378607', '3423', '473973', '488014', '34154', '34134', '384903', '168883', '88855', '385982', '107130', '51225', '378586', '318106', '2652', '230579', '11149', '378805', '133281', '505157', '380039', '227232', '105537', '377908', '474299', '399848', '213058', '378284', '102858', '323692', '377775', '133252', '384954', '88521', '171294', '378467', '134941', '87951', '401104', '318101', '378918', '401852', '171571', '360181', '378679', '380146', '399323', '412140', '377599', '342923', '146957', '103155', '222303', '210835', '378135', '104378', '84219', '117535', '48478', '378591', '346346', '378177', '379157', '124606', '357203', '376899', '376828', '377431', '257', '103208', '379813', '223535', '49517', '401108', '379926', '21885', '124565', '421352', '408439', '362292', '1739', '4718', '413839', '379418', '351817', '370224', '474007', '401135', '133712', '379266', '230895', '223201', '16645', '376986', '401131', '20282', '399901', '390206', '348979', '228049', '17507', '379903', '341746', '213025', '133237', '378627', '2788', '401105', '377137', '505312', '474251', '342935', '378409', '471696', '320841', '110969', '128', '376951', '133637', '378144', '46205', '131597', '18303', '210559', '324236', '16980', '37752', '34083', '378387', '228328', '380503', '130461', '12337', '422433', '124950', '37741', '110402', '391882', '136141', '380483', '350273', '342915', '379149', '115942', '110639', '43753', '223771', '2108', '131446', '350898', '391857', '133590', '377895', '124283', '404006', '324248', '125829', '379990', '171300', '210819', '21709', '2362', '378696', '210405', '342891', '360118', '18146', '421453', '17091', '378480', '120775', '367109', '349034', '379138', '380666', '380125', '2003', '51988', '62570', '225272', '379021', '378762', '399681', '210796', '217182', '380082', '130550', '369244', '388673', '378678', '222298', '110573', '377766', '379249', '377887', '163838', '346224', '352437', '390124', '171594', '378493', '62525', '171592', '411544', '160776', '62430', '379905', '378163', '34179', '380289', '135777', '380557', '68263', '380187', '411316', '341900', '1873', '66486', '379432', '106937', '46185', '17125', '209688', '486201', '384951', '16807', '163829', '7718', '377805', '48436', '87312', '379447', '107201', '131101', '189814', '233118', '470904', '105325', '379797', '422423', '474030', '357342', '66557', '470261', '379255', '377420', '17458', '365154', '210622', '378081', '380064', '408443', '134468', '43580', '110637', '230260', '419968', '107131', '421582', '170977', '345243', '160023', '378167', '87756', '225114', '378477', '377758', '323712', '228874', '204068', '382589', '323719', '342883', '16588', '357025', '41867', '366304', '119036', '127123', '381749', '380587', '377772', '377980', '378708', '358174', '110021', '170834', '390910', '11583', '2705', '348982', '170483', '379753', '224759', '17712', '400630', '407345', '413545', '2109', '228818'\n",
    "```"
   ]
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