CCCC[N+](=O)[O-];CPD-8145
CC=CC=CC(=O)O;CPD-3624
OC(=O)CC[N+](=O)O;CPD-8147
CCCCCC[N+](=O)[O-];CPD-8146
COC(=O)C(C)O;CPD-3621
CCCCC[N+](=O)[O-];CPD-8140
OC(=O)CCCCCCCCC(=O)O;CPD-3623
COc1ccc(cc1O)C2=COc3cc(O)cc(O)c3C2=O;CPD-3622
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)CC4CC3;ZYMOSTEROL
CCC1=CC2CN3CCc4c([nH]c5ccccc45)C(C2)(C13)C(=O)OC;CPD-7859
OCC[N+](=O)[O-];CPD-8149
[O-][N+](=O)C1CCCC1;CPD-8148
NC(=O)NCO;N-HYDROXYMETHYLUREA
Fc1cccc(NC(=O)Nc2ccnc(Cl)c2)c1;CPD-5483
COc1cc(NC(=O)Nc2ccccc2)ccn1;CPD-5482
Clc1cc(NC(=O)Nc2ccccc2)ccn1;CPD-5481
NC(=O)CCC(=O)O;CPD-3626
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;3-BETA-HYDROXY-5-ALPHA-PREGNANE-20-ONE
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;1-L-MYO-INOSITOL-1-P
CC(CC=C(C)C)c1ncnc2[nH]cnc12;CPD-5484
Oc1ccc2C(=O)C=C(Oc2c1)c3ccccc3;CPD-8141
OP(=O)OP(=O)O;X-PYROPHOSPHATE-GROUP
CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)C(O)C(O)C1O;NARINGIN
OC1C=C(C=CC1(O)C(=O)O)C(=O)O;DIHYDROXY-14-DICARBOXY-35-CYCLOHEXDIENE
OCC(=O)C(O)C(O)C(O)C(=O)O;CPD-3620
OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C(O)C1O;UDP-GLUCOSE
OCC(O)CC(O)C(O)CO;CPD-8882
CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)c(O)c5)C(O)C(O)C1O;LUTEOLIN-7-O-NEOHESPERIDOSIDE
OCC1OC(Oc2cc(O)c3C(=O)C(=Cc4cc(O)c(O)c(O)c4)Oc3c2)C(O)C(O)C1O;CPD-8635
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)C(O)C2O;CDP-D-GLUCOSE
OCC(O)C(O)C(O)C(O)CO;SORBITOL
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C;CPD-7852
CCCCCCC=CC=CCCCCCCCC(=O)O;9-CIS11-TRANS-OCTADECADIENOATE
OCC1OC(Oc2cc(O)c3C(=O)C(=Cc4ccc(O)c(O)c4)Oc3c2)C(O)C(O)C1O;CPD-8634
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(O)CCC2(C)C;CPD-7853
CC(C)c1ccc(C=O)cc1;CPD-1003
CC(C)c1ccc(CO)cc1;CPD-1002
CC(C)c1ccc(C)cc1;CPD-1001
NCCS(=O)=O;HYPOTAURINE
CC(C)C(=O)C=CC(=C(O)C(=O)O)C(=O)O;CPD-1007
CC(C)c1ccc(C(=O)O)c(O)c1O;CPD-1006
CC(C)C1=CC=C(C(O)C1O)C(=O)O;CPD-1005
CC(C)c1ccc(cc1)C(=O)O;CPD-1004
CN1C(CC(OC2OC(C(O)C(O)C2O)C(=O)O)C1=O)c3cccnc3;CPD-2752
CCC1(C)OC1CCC(=CCCC(=CC(=O)O)C)C;CPD-2021
CCCC(NC(C)C(=O)O)C(=O)O;CPD-2022
CC(C)C(=O)C=CC=C(O)C(=O)O;CPD-1008
CC12CCC(C1)C(C)(C)C2O;CPD-685
CC(=O)NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;CPD1G-1
CC1(C)CCCC2(C)C3CCC(C13)C2=C;CPD-8701
COc1ccccc1;CPD-395
CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;PHYTOENE
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C([N+])C(O)C1O;CPD1G-0
CC1=C(C)C(=O)N2N1C(=C(C)C2=O)CBr;CPD1G-159
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C;FARNESYLFARNESYLGERANIOL
NC1=NC(=O)N(C=C1)C2OC(CO)C(OP(=O)(O)O)C2O;CPD-3711
Oc1ccc2C(=O)C(=COc2c1)c3cc4OCOc4cc3O;CPD-3629
OCC1OC(OC2=C(Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)c(O)c5)C(O)C(O)C1O;CPD-8033
CCCCCCCCCCCCCCCCCCCCCCC;CPD-7947
OC1C=CC=C2c3ccccc3C(=O)C12O;110-DIHYDRO-110-DIHYDROXYFLUOREN-9-ONE
OCC1OC(OC2=C(Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)cc5)C(O)C(O)C1O;CPD-8034
Oc1ccc2C(=O)C(=COc2c1)c3ccc4OCOc4c3;CPD-3628
Cc1cccc(O)c1O;CPD-111
CC(OP(=O)(O)O)C(N)C(=O)O;L-THREONINE-O-3-PHOSPHATE
CNCCCC(=O)c1ccc(O)nc1O;CPD-113
Cc1cccc(O)c1;CPD-112
CC1=CC(O)C2CC1C2(C)C;CPD-8832
CC(=C)C1CCC(C)(O)C(O)C1;CPD-8222
OC(=O)C(=O)C=O;KETOPYRUVATE
CC(=CC(=O)O)C(=O)O;2-METHYLMALEATE
FC(F)(Cl)Cl;CPD-8223
Oc1ccc(Cl)cc1Cl;24-DICHLOROPHENOL
COc1ccc(C=O)cc1OC;VERATRALDEHYDE
CC(=CCc1cccc2[nH]cc(CC(N)C(=O)O)c12)C;CPD-460
NC1=[NH+]C(=O)C2=C(NCC(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2)N1;10-FORMYL-THF
CC(=CCCC(=CCCC(=CCO)C)C)C;2-CIS6-TRANS-FARNESOL
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O)C(O)C2O;CMP-KDO
CCCS(=O)c1ccc2nc(NC(=O)OC)[nH]c2c1;ALBENDAZOLE-S-OXIDE
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1;ALPHA-TOCOPHEROL
COc1ccc(C2COc3cc(O)ccc3C2[OH2+])c(O)c1;CPD-4284
COc1ccc(C2COC3=CC(=O)C=CC3=C2)c(O)c1;CPD-4285
COc1ccc(C2COc3cc(O)ccc3[CH+]2)c(O)c1;CPD-4283
COc1ccc(C2COc3cc(O)ccc3C2[OH2+])c(O)c1;CPD-4281
OC(=O)c1cc(C(=O)O)c2c(n1)C(=O)C(=O)c3cc([nH]c23)C(=O)O;PQQ
C[N+](C)(C)CCCC(O)C(N)C(=O)O;3-HYDROXY-N6N6N6-TRIMETHYL-L-LYSINE
CC1=C2CCC3(C)CCC(O)C(=C)C3CC(CC1O)C2(C)C;TAXA-42011-DIEN-5A13A-DIOL
NC(CCC(=O)O)C(=O)OP(=O)(O)O;ALPHA-L-GLUTAMYL-PHOSPHATE
OC1C(O)C(OP(=O)(O)OP(=O)(O)O)OC1COP(=O)(O)O;PRPP
CC(O)C(O)C(=CC(=O)O)O;2-DEHYDRO-3-DEOXY-D-FUCONATE
NC1=NC(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2C=O)N1;5-FORMYL-THF
OC(=O)C(=CC=C(Cl)C(=O)O)Cl;25-DICHLORO-CISCIS-MUCONATE
COc1c(O)c(C)c(CC=C(C)CCC=C(C)C)c(O)c1OC;QH2
CC(=C)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC34C;HOP-2229-ENE
OC(=O)c1occc1;2-FUROATE
CC(=CC(=O)O)C(=O)O;MESACONATE
CC(=O)OCCC(N)C(=O)O;CPD-667
ONc1ccccc1;OH-AMINO-BENZENE
CC(C)C(=C)CCC(C)C1CC=C2C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;ALPHA-METHYL-5-ALPHA-ERGOSTA
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8459
CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8458
OC(=O)CCCCC1SCC2NC(=O)NC12;BIOTIN
OC(=O)CC=O;MALONATE-S-ALD
CCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8453
CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O;LEUKOTRIENE-A4
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCC;CPD-8451
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCC;CPD-8450
CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8457
CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8456
CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8455
CCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8454
CC1(C)CCCC2(C)C3CCC(C)(CC3=CCC12)C=C;CPD-4754
NC(CO)C(=O)O;D-SERINE
OC(=O)c1ccccn1;PICOLINATE
OC1C=Cc2sc3ccccc3c2C1O;CIS-12-DIHYDROXY-12-DIHYDRODIBENZOTHIO
CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C(C)(C)CCCC12C;CPD-4750
CC1C2CCC3C(C)(C)CCCC3(C)C2CC=C1C=C;CPD-4751
CC1=CC2CCC3C(C)(C)CCCC3(C)C24CCC1C4;CPD-4752
CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12;CPD-4753
OCC1OC(O)C(O)C(O)C1O;GLC
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)NC1=O;TTP
OC(COP(=O)(O)O)C(O)C=O;ERYTHROSE-4P
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7892
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7893
CCCCCC=CCC=CCCCCCCCCCCCCCCCCCCCC=O;CPD-7890
CCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7891
CCCCCCCCCCCCCCCCCC(=O)C;CPD-7896
CCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7897
OC(=O)C(=O)CS(=O)O;3-SULFINYL-PYRUVATE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1=O;DTDP-DEOH-DEOXY-GLUCOSE
CC(Nc1ccc(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C2O)cc1)C3NC4=C(NC3C)NC(=[NH+]C4=O)N;THMPT
CCCCCCCCCCCCCC(=O)C;CPD-7898
CSCCCC(=NOS(=O)(=O)O)SC1OC(O)C(O)C(O)C1CO;3-METHYLTHIOPROPYL-GLUCOSINOLATE
CC(=O)OC1CC(=C2C(O)CC3(C)CCC(OC(=O)C)C(=C)C3C(OC(=O)C)C1C2(C)C)C;10-DESACETYLTAXUYUNNANIN-C
OC(=O)CCCC(O)(CC(=O)O)C(=O)O;CPD-152
CC(C)C1CCC(C)CC1OC2OC(CO)C(O)C(O)C2O;CPD-1910
OC(=O)C=Cc1ccccc1O;2-COUMARATE
CC(CCC(C)C(=C)C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C;24R-24-METHYLCYCLOARTA-825-DIEN-3-BET
CC(O)CC(=O)OC(C)CC(=O)O;CPD-1116
COc1ccc(C2=COc3cc(O)ccc3C2=O)c(O)c1;2-HYDROXYFORMONONETIN
OC(=O)CCCCCCCCC=CC=O;12-OXO-TRANS-10-DODECENOATE
CC12CCCC(C)(C1C(C(=O)O)C34CC(CCC23)C(=C)C4)C(=O)O;C20SKELETON
CCCCCCCCCCCCCCCCCCCCCC=O;CPD-7879
OCC(O)C(O)C(O)C(O)C=O;MANNOSE
NC1=C(NC2OC(COP(=O)(O)O)C(O)C2O)NC(=O)NC1=O;CPD-602
NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N;AICAR
CC(=CCNc1ncn(CCC(N)C(=O)O)c2ncnc12)C;DISCADENINE
CC(=CCCC(C)(O)C=C)C;CPD-7985
OCC1OC(Oc2cc(cc(O)c2O)c3[o+]c4cc(O)cc(O)c4cc3OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)C(O)C(O)C1O;CPD-7870
CCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7871
NCc1c[nH]c2N=C(N)NC(=O)c12;7-AMINOMETHYL-7-DEAZAGUANINE
CCCCCCCCCCCCCCCCCCO;CPD-7873
CCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7874
CCCCCCCCCCCCCCO;CPD-7875
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7876
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7877
c1ccccc1;BENZENE
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O;ALPHA-KOJIBIOSE
CSC1=NC(=NC2=NC=NC12)N;CPD-5724
Cc1ccc(cc1C)C(O)CO;1-34-DIMETHYLPHENYLETHANE-12-DIOL
NC1=NC(=NC2=NC=NC12)S;CPD-5722
CSC1=NC2=NC=NC2C(=N1)N;CPD-5723
NC1=NC2=NC=NC2C(=N1)S;CPD-5721
NC(=O)N(CC(=O)O)c1ccc(O)cc1;N-CARBAMOYL-P-HYDROXY-D-PHENYLGLYCINE
OCC(O)C(O)C(O)C=O;L-XYLOSE
COc1cc2OC3OC=CC3c2c4Oc5cccc(O)c5C(=O)c14;STERIGMATOCYSTIN
COc1ccc(CC2N(C)CCc3cc(OC)c(O)cc23)cc1O;R-RETICULINE
OS(=O)(=O)CCS;CoM
NC(CCC(N)C(=O)O)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23;SINEFUNGIN
Oc1cccc(c1)C(=O)c2c(O)cc(O)cc2O;2346-TETRAHYDROXYBENZOPHENONE
O=Nc1ccccc1;NITROSOBENZENE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)c2ccccc2C1=O)C)C)C)C)C)C)C)C;DEMETHYLMENAQUINONE
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8386
COc1cc(C=CCO)ccc1O;CONIFERYL-ALCOHOL
OCC1OC(OC2(COC3(CO)OC(CO)C(O)C3O)OC(COC4(CO)OC(CO)C(O)C4O)C(O)C2O)C(O)C(O)C1O;BIFURCOSE
OCC(O)C(O)CO;D-ERYTHRITOL
NC(CCONC(=O)N)C(=O)O;O-UREIDOHOMOSERINE
CC(=O)NC(CCC(=O)OP(=O)(O)O)C(=O)O;N-ACETYL-GLUTAMYL-P
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O;CTP
OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)cc4)C(O)C(O)C1O;PELARGONIDIN-3-GLUCOSIDE-CMPD
CC(C)C(NC(=O)C(NC(=O)CCCC([N+])C(=O)O)[CH]S)C(=O)O;N-5S-5-AMINO-5-CARBOXYPENTANOYL-L-CY
OCl=O;CHLORITE
OC(=O)C1=CC(=CC(=O)C(=C1)O)O;STIPIT-CPD
CCC(=O)N;PROPIONAMIDE
OP=O;CPD-3704
CC(=O)OCC(OC(=O)C)C#Cc1ccc(s1)c2cccs2;5-34-DIACETOXYBUT-1-YNYL-22-BITHIOP
CC(O)C(O)C(O)C(O)C(=O)O;D-FUCONATE
CC(O)C(O)CC(=O)C(=O)O;DEHYDRO-3-DEOXY-L-RHAMNONATE
CCNCC;DIETHYLAMINE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1O;DTDP-RHAMNOSE
Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OCCN5CCCCC5)cc4;CPD-4523
OC(=O)C(COP(=O)(O)O)OP(=O)(O)O;23-DIPHOSPHOGLYCERATE
Clc1ccccc1CNCC2CCC(CNCc3ccccc3Cl)CC2;CPD-4521
CC(=CC=O)C=CC12OC1(C)CC(O)CC2(C)C;CPD-7279
O=C1C=CC(=O)C=C1;P-BENZOQUINONE
NC(CO)C(=O)OP(=O)(O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;SERYL-AMP
CC(CCC(=O)O)C1CCC2C3C=CC4=CC(=O)CCC4(C)C3CC(O)C12C;CPD-7274
OC(=O)CCCCC(=O)C(=O)O;CPD-291
OC(=O)C1NC2=CC(=O)C(=O)CC2=C1;CPD-7272
CC(CCC(=O)O)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CC(O)C12C;CPD-7273
CC(O)CSCCS(=O)(=O)O;2-S-HYDROXYPROPYL-COM
CC1OC(OCC2OC(OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O;RUTIN
Oc1cccc(O)c1O;PYROGALLOL
OC(=O)C1CCCC=N1;delta(6)-piperideine-2-carboxylate
O=C1CC(Oc2ccccc12)c3ccccc3;FLAVONONE-CMPD
CC1=C2NC=C3C4=C5C(=C(C)C(=O)C4=O)NC=C5C(=C23)C(=O)C1=O;MELANIN
CCC=CCC=CCC=CCCCCCCCC(=O)O;LINOLENIC_ACID
OC(COP(=O)(O)O)C(O)C(=O)COP(=O)(O)O;d-ribulose-1,5-p_{2}
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;1-183-2-183-SN-GLYCEROL-PHOSPHOCHOLINE
CC(=O)CC(N)C(=O)O;2-AMINO-4-OXO-PENTOATE
NC(CCC(=O)N)C(=O)CP(=O)(O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;CPD0-1086
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCc4cc(O)c(O)cc34;DEACETYLISOIPECOSIDE
CC(=C1CCC2C(=C1)CCC3C(C)(CO)CCCC23C)C;CPD-8709
OCC(O)C(O)C(O)C(O)C(=O)O;CPD0-1083
O=C1CNC(=O)CN1;DIOXOPIPERAZINE
OC1C(CC(=CC1OP(O)(O)O)C(=O)O)OC(=C)C(=O)O;3-ENOLPYRUVYL-SHIKIMATE-3P
ClCCl;CPD-681
OC1Oc2cc(O)cc(O)c2C(=O)C1c3ccc(O)cc3;CPD-3161
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCC;CPD-8447
NCCc1ccc(O)c(O)c1;DOPAMINE
CC=CCC=CCCC(=O)C1OC1C(=O)N;CPD-6901
NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C3OP(=O)(O)OC23;6-A-D-GLUCOSAMINYL-1D-MYO-INOSITOL-12
OC(=O)CC(=CC(=O)O)C(=O)O;CIS-ACONITATE
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;D-HEXOSE-6-PHOSPHATE
COc1cc(O)ccc1C(=O)C=Cc2ccc(O)cc2;CPD-3361
ON(CC(=O)O)C=O;N-FORMYL-N-HYDROXY-AMINOACETATE
CN1C(=O)CCC1(O)c2cccnc2;CPD-2751
OCC1OC(CO)(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C1O;6G-KESTOTETRAOSE
CCCCCCCCOC1OC(CO)C(O)C(O)C1O;CPD0-1048
CSCCC(NC=O)C(=O)O;N-FORMYLMETHIONINE
OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2OC1c6ccc(O)c(O)c6;CPD-7631
CCOP(=O)(OCC)OCC;CPD-3703
OC(=O)CCC(=C)C(=O)O;2-CH2-GLUTARATE
OS(=O)O;H2SO3
CC1=CCCC(=CC2C(CCC(=CCC1)C)C2(C)C)C;CPD-684
COS(=O)(=O)O;CPD-545
CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c3ccccc3;CPD-2202
O=O;OXYGEN-MOLECULE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1O;DTDP-D-FUCOSE
CC1NC2=C(N3CN(C(C)C13)c4ccc(CC(O)C(O)C(O)COC5OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C5O)cc4)C(=O)[NH+]=C(N)N2;METHYLENETETRAHYDROMETHANOPTERIN
OC1OC(COC(=O)Cc2c[nH]c3ccccc23)C(O)C(O)C1O;INDOLE-3-ACETYL-BETA-6-D-GLUCOSE
NCCN;ETHANEDIAMINE
COc1ccc(CC=C)cc1OC;CPD-6482
Oc1ccc(CC=O)cc1;HYDRPHENYLAC-CPD
NC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)O)C(O)C2O;NICOTINAMIDE_NUCLEOTIDE
OC(COP(=O)(O)O)C(=O)OP(=O)(O)O;DPG
NCCC(O)(P(=O)(O)O)P(=O)(O)O;PAMIDRONATE
CCC(=O)O;PROPIONATE
O=CNC1CCCCC1;N-CYCLOHEXYLFORMAMIDE
OC(=O)c1occ(COP(=O)(O)O)c1;CPD-7638
NC(Cc1ccc(O)c(I)c1)C(=O)O;MONOIODO-L-TYROSINE
CC(C)CCC(O)C(C)(O)C1[CH]CC2C3CC=C4CC(O)CCC4(C)C3CCC12C;20A-20B-DIHYDROXY-CHOLESTEROL
NC(CCC(=O)NC(CCC(=O)NCCc1ccc(OCc2coc(C[N+])c2)cc1)C(=O)O)C(=O)O;CPD-7647
NC(CCC(=O)NCCc1ccc(OCc2coc(C[N+])c2)cc1)C(=O)O;CPD-7646
[N+]CCc1ccc(OCc2coc(C[N+])c2)cc1;CPD-7645
OP(=O)(O)OCc1coc(C[N+])c1;CPD-7644
OP(=O)(O)OCc1coc(C=O)c1;CPD-7643
CC(=O)N1CCN(CC1)c2ccc(OCC3COC(Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2;CPD-4503
OC(CC(C(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;CPD-7641
OC(=O)CCC(C(CC(=O)C(=O)O)C(=O)O)C(=O)O;CPD-7640
NCCCCNCCCCN;CPD-1821
Cn1cnc(CC(N)C(=O)O)c1;CPD-1823
OC(COS(=O)(=O)O)C(=O)O;CPD-8995
OC1COC(OP(=O)(O)O)C(O)C1O;CPD-1825
CC(OP(=O)(O)O)C(=O)O;PHOSPHOPYRUVATE
Cc1ncc(C[n+]2ccccc2)c(N)n1;CPD-1826
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(C(O)C(O)C4O)C(=O)O)C(O)C3O)C(=O)N1;CPD-1828
OC1C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3;CPD-7087
CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4;CPD-7086
CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;RETINAL
COc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2;CPD-7080
CCCCCC=CCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8388
CSCCC(=O)C(=O)COP(=O)(O)O;CPD-8999
ON=O;NITRITE
OC(=O)C(=O)Cc1ccc(O)c(O)c1;34-DIHYDROXYPHENYLPYRUVATE
OCC1C(O)C(O)C(O)OC1SC(=NOS(=O)(=O)O)CCCOC(=O)c2ccccc2;3-BENZOYLOXYPROPYL-GLUCOSINOLATE
Cc1ncc(C[n+]2cccc(CCO)c2C)c(O)n1;HYDROXY-ETC-METHYLPYRIMIDINIUM
CC(C)C1CCC(C)CC1OC(=O)C;CPD-5761
CCCCCCC=CC=O;T-2-NONENAL-CMPD
NC1=NC(=O)N(C=C1)C2OC(CO)C3OP(=O)(O)OC23;CPD-3713
CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O;ANDROSTERONE
Oc1ccc(CC=O)cc1O;34-DIHYDROXYPHENYLACETALDEHYDE
CC(=CCCC(C)(O)C=C)C;37-DIMETHYLOCTA-16-DIEN-3-OL
CCC(C(C)O)[N+](=O)[O-];CPD-8128
OC(COP(=O)(O)O)C(=O)O;G3P
CCCCCCO;HEXANOL-CMPD
CCCCCC=CCC=CCCCCCCCC(=O)NCCO;CPD6666-4
OCC(O)C(O)C(O)C(O)C(=O)O;GLUCONATE
OCC1CC(Nc2ccc(cc2)[N+](=O)[O-])C(O)C(O)C1O;CPD-7300
C1CNNC1;PYRAZOLIDINE
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O;CPD-4821
NCCCCCN;CADAVERINE
BrCC(=O)CBr;13-DIBROMOPROPAN-2-ONE
OCC(O)C(O)C(O)C(O)CO;CPD-369
NC(=O)NC1NC(=O)NC1=O;ALLANTOIN
CC12CCC(=O)C=C1CCC3C4CCC(C(=O)CO)C4(CC(O)C23)C=O;ALDOSTERONE
COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC;S-N-METHYLCANADINE
NC1=C2N=CN(C3OC(CO)C(O)C3=O)C2N=CN1;9-RIBURONOSYLADENINE
C[N+](C)(C)CCC(=O)O;CPD-6181
Oc1ccc2ccccc2c1;CPD-8131
CCCCC#N;CPD-8862
ClCCCC#N;CPD-8863
CCC#N;CPD-8860
Cc1cc(C)c(C(=O)C=O)c(C)c1;CPD0-1061
NC(Cc1ccc(O)cc1)C(=O)O;D-TYROSINE
N#CCCCC#N;CPD-8864
NCCCCCNCCCN;CPD0-1065
OCN1C(CCC1=O)c2cccnc2;CPD-3188
CNCCCC(=O)c1cccnc1;CPD-3189
NC(=O)C=CC(=O)O;MALEAMATE
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8442
COc1cc(C=CC(=O)O)cc(OC)c1OC2OC(CO)C(O)C(O)C2O;1-SINAPOYL-D-GLUCOSE
CN1CCCC1(O)c2cccnc2;CPD-3187
COc1cccc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c1O;2-OCTAPRENYL-6-METHOXYPHENOL
CN1CCCC1c2ccc[n+](C)c2;CPD-3183
OCC(O)C(O)C(O)C=O;LYXOSE
OCC(O)C(O)C(O)C(O)COP(=O)(O)O;D-SORBITOL-6-P
C[N+]1=CCCC1c2cccnc2;CPD-3186
OCC1OC(Oc2ccc3C=CC(=O)Oc3c2O)C(O)C(O)C1O;DAPHNIN
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O;TREHALOSE
NCCC(=O)O;B-ALANINE
OC(=O)C=C(CC(=O)C(=O)O)C(=O)O;4-OXALOMESACONATE
NC(=N)NCCCC(N1CCC1=O)C(=O)O;DEOXYAMIDINOPROCLAVAMINATE
OCC1OC(C(O)C1OP(=O)(O)O)N2C=CC(=O)NC2=O;CPD-3724
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(OS(=O)(=O)O)c(O)c3)OS(=O)(=O)O;QUERCETIN-34-BISSULFATE
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC;L-1-LECITHIN
OC(Cc1c[nH]c2ccccc12)C(=O)O;INDOLE_LACTATE
OCC(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)C=O;CPD-3785
OC(=O)CCCCCCCC=O;CPD-8686
Nc1nc(O)c2ncc(O)nc2n1;2-AMINO-47-DIHYDROXYPTERIDINE
Nc1ncnc2c1ncn2C3OC(CO)C(O)C3O;ADENOSINE
CC(=O)NC1C(O)C(O)C(CO)OC1NC(=O)CC(N)C(=O)O;ACETYL-ETCETERA-L-ASPARAGINE
OCC(O)C(O)C(O)C(=O)C=O;L-SORBOSONE
Oc1ccc(CC=C)cc1;CPD-6483
CC(C)C1CCC(=C2CCC(=CC12)C)C;CPD-1722
CS(=N)(=O)CCC(N)C(=O)O;CPD-9035
CN1CCC23C4Oc5c(O)ccc(CC1C2C=CC4O)c35;MORPHINE
NC(=O)c1ccccc1O;SAM
CC12CCC(CC1CCC3C2CCC4(C)C3CCC4=O)OS(=O)(=O)O;BETA-HYDROXYANDROST-5-EN-17-ONE-3-SULFAT
OC(=O)C=Cc1ccc(O)c(O)c1;CAFFEATE
OC(=O)C1CCCN1;PRO
CCC=CCC=CCC=CCC=CCCCCCCC(=O)O;CPD-8121
OC(Cc1cnc2ccccn12)(P(=O)(O)O)P(=O)(O)O;MINODRONATE
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2=O;ESTRONE
OCC(O)C(O)C(O)C(=O)O;L-XYLONATE
CC(=O)N1CCN(CC1)c2ccc(OCC3COC([O+]3Cn4ccnc4)c5ccccc5)cc2;CPD-3981
C[N+](C)(C)[O-];TRIMENTHLAMINE-N-O
CC(=O)NC(Cc1ccccc1)C(=O)O;CPD-439
OC(=O)C(=CC=CC(=O)c1ccccc1)O;CPD-928
OCC1OC(O)CC(O)C1O;2-DEOXYGLUCOSE
CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O;N-ACETYL-D-GLUCOSAMINE-6-P
OC(=O)C(=CC=CC(=O)Oc1ccccc1O)O;CPD-924
OC1C=CC=C2Oc3ccccc3OC12O;CPD-925
o1c2ccccc2c3ccccc13;CPD-926
Oc1cccc(c1O)c2ccccc2O;CPD-927
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;CPD-436
NC(CCC(=O)NC(CSSCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)O;CPD-921
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)C(=O)NC1=O;DTDP-D-GLUCOSE
Oc1cccc(Oc2ccccc2O)c1O;CPD-923
CC(C)CCCC(C)C1CCC2(C)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-8606
CC(C)CCCC(C)C1CCC2(CO)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-8607
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C;CPD1F-118
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2C(=CC(O)CC2(C)C)C;CPD1F-119
NC(Cc1ccccc1)C(=O)O;CPD-216
NCCCC(N)C(=O)O;CPD-217
OC(=O)CNC(=O)OCc1ccccc1;CPD-214
CC1(C)C2CCC1(C)C(C2)OP(=O)(O)OP(=O)(O)O;CPD-215
CSCC1OC(O)C(O)C1O;CPD-560
CCC(C)C(=O)C(=O)O;2-KETO-3-METHYL-VALERATE
Nc1c(O)cccc1C(=O)O;3-HYDROXY-ANTHRANILATE
CC(C)CCCC(C)C1CCC2(C=O)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-8608
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CCCC1(C)C)C)C)C)C)C;CPD1F-115
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)O;N-ACETYLD-D-MANNOSAMINE-1P
OC(CC(=O)O)C(=O)O;MAL
COc1cc(ccc1O)C(O)C(=O)O;VANILLYL_MANDELATE
OCC=C;ALLYL-ALCOHOL
OCC(O)COC1OC(CO)C(O)C(O)C1O;3-B-D-GALACTOSYL-SN-GLYCEROL
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC;CPD-2190
CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C;CPD-696
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3COC(=O)C4CC(O)C(O)CC4(C)C3CCC12C;CPD-697
CC12CCCC(C)(C1C(C(=O)O)C34CC(=C)C(O)(CCC23)C4)C(=O)O;CPD-695
CC(=CC=O)C=CC1(O)C(=CC(=O)CC1(C)C)C;CPD-692
CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C;CPD-693
[O-][N+](=O)c1cc[n+]([O-])c2ccccc12;4-NITROQUINOLINE-N-OXIDE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OS(=O)(=O)O)C(O)C3O;APS
OCC1OC(O)(COC2(CO)OC(CO)C(O)C2O)C(O)C1O;INULOBIOSE
CC(C)C(C)CCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;CPD-698
CC1=CC2C(CC1)C(=C)CCCC2(C)C;CPD-8732
CC1=CC2C(=C(C)CCCC2(C)C)CC1;CPD-8733
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C;CPD-7519
CC(C)C1=CC2C(=C)CCCC2(C)CC1;CPD-8731
CC(C)C1=CCC(=CC1)C;CPD-8736
C1CNC(C1)c2cccnc2;CPD-2748
Nc1nc(O)c2nccnc2n1;2-AMINO-4-HYDROXYPTERIDINE
CC(C)C1=CC=C(C)CC1;CPD-8735
CN1CCCC1c2ccc[n+](c2)C3OC(C(O)C(O)C3O)C(=O)O;CPD-2744
CN1C(CCC1=O)c2ccc[n+](c2)C3OC(C(O)C(O)C3O)C(=O)O;CPD-2747
CC(C)C1CCC(C)C23CC=C(C)C2C13;CPD-8739
NOCC(=O)O;CPD-7020
C[N+]1([O-])CCCC1c2cccnc2;CPD-2743
CC(=O)C(C)(O)C(=O)O;2-ACETO-LACTATE
OC1=C(C(=O)OC1=Cc2ccc(O)cc2)c3ccc(O)cc3;ASPULVINONE-E
CCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCC;CPD-8518
COC1C(O)C(O)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O;CPD-8048
OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-];ACIFLUORFEN
ClC(=C)Cl;11-DCE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-8512
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-8513
COC1C(O)C(O)C(O)C(O)C1O;CPD-8046
COC1C(O)C(O)C(O)C(OC2OC(CO)C(O)C(O)C2O)C1O;CPD-8047
CC(=CCc1cc(C=C2OC(=O)C(=C2O)c3ccc(O)c(CC=C(C)C)c3)ccc1O)C;ASPULVINONE-H
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-8517
NC(=O)c1nc[nH]c1N;CPD-3762
CCCCCCCCCCCCC(C)CC;CPD-8515
OC#N;NCOH
CC1OC(OP(=O)(O)O)C(O)C(O)C1O;FUCULOSE-1P
CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8288
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8289
O=C1N=CN=C2NNC=C12;CPD-9024
Cc1ccc(O)cc1;CPD-108
Cc1ccccc1O;CPD-109
OC(C(=O)O)c1ccc(O)cc1;CPD-106
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8283
OC(=O)c1cc(C(=O)O)c2c(n1)c(O)c(O)c3cc([nH]c23)C(=O)O;CPD-104
OC(C(=O)O)c1ccc(O)cc1;CPD-105
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8286
CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8287
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8284
NC(=O)c1cccnc1;NIACINAMIDE
Cc1ncc(COP(=O)(O)O)c(CO)c1O;PYRIDOXINE-5P
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1cc(cc(O)c1O)C(=O)O)C)C)C)C)C)C;3-HEXAPRENYL-45-DIHYDROXYBENZOATE
Oc1ccc(C=CC=O)cc1;COUMARALDEHYDE
NC(=O)CCCCC(S)CCS;DIHYDROLIPOAMIDE
CC(CCCC(C)CCC=C(C)C)CCCC(=CCOP(=O)(O)OP(=O)(O)O)C;CPD-7003
CCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;5-ETHYLTHIOADENOSINE
CC(=O)OP(=O)(O)O;ACETYL-P
Cc1ncc(CO)c(N)n1;HMP
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O;BETA-KOJIBIOSE
COC(=O)C(N)Cc1ccc(O)cc1;L-TYROSINE-METHYL-ESTER
CC1=CCC2CC1C2(C)C;CPD-8754
C[N+](C)(C)CCCCC(N)C(=O)O;N6N6N6-TRIMETHYL-L-LYSINE
Cc1ncc(C[n+]2csc(CC=O)c2C)c(N)n1;THIAMINE-ALDEHYDE
OCC1OC(C(O)C1O)N2C=CC(=O)NC2=S;2-THIOURIDINE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C3O)C(=O)N1;GDP-TP
OCC1OC(OC(=O)Cc2c[nH]c3ccccc23)C(O)C(O)C1O;CPD-1102
OCC1OC(OC(C#N)c2ccc(O)cc2)C(O)C(O)C1O;CPD-1103
COc1ccc2[nH]cc(CCNC(=O)C)c2c1;N-ACETYL-5-METHOXY-TRYPTAMINE
NCCP(=O)(O)O;CPD-1106
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-1107
NCCCNCCCN;CPD-1104
NC1C(O)C(O)C(O)C(O)C1O;CPD-1105
OCC1OC(OC2=C(Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)c(O)c5)C(O)C(O)C1O;CPD-8009
CCCCCC=CCC=CCC=CCCCCCCC(=O)O;CPD-8120
C[N+](C)(C)C(Cc1cnc[nH]1)C(=O)O;NALPHANALPHANALPHA-TRIMETHYL-L-H
OC(=O)C=C1OC(=O)C(=C1)Cl;2-CHLORO-TRANS-DIENELACTONE
CC(O)C1OC(O)C(O)C1O;L-RHAMNOFURANOSE
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;17-ALPHA-HYDROXYPROGESTERONE
CCCCCCC(C(C)O)n1cnc2c(N)ncnc12;EHNA
C=C;ETHYLENE-CMPD
CCCCCCCCC=CCC=CCCCCCCCCCCCCCCC=O;CPD-8468
CCCCCCCCCCCC(O)C(=O)O;CPD-8469
CCCCCC=CCC=CCCCCCCCCCCCCCCCC=O;CPD-8466
CCCCCCCCCCCCCC=CCCCCCCCCCCCCCCC=O;CPD-8467
CCCCCCCCC=CCCCCCCCCCCCCCCCCCC=O;CPD-8464
CCCCCC=CCC=CCCCCCCCCCCCCCCCCCC=O;CPD-8465
CCCCCCCCCCCCCCC(=O)O;CPD-8462
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-8463
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8460
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-8461
CC1C(O)C(O)CC(CO)C12CCC(C2)C(=C)C;CPD-4746
CC1C(O)C(O)CC2=C1CC(CC2)C(=C)C;CPD-4745
CC1C(O)C(O)CC(C=O)C12CCC(C2)C(=C)C;CPD-4744
CC1CC(O)CC(C=O)C12CCC(C2)C(=C)C;CPD-4743
CC1CC(=O)CC(C=O)C12CCC(C2)C(=C)C;CPD-4742
COC1OC(CO)C(O)C(O)C1OC2OC(C)C(O)C(O)C2O;CPD-8198
NC(CCCNC(=N)N)C(=O)O;ARG
COc1ccc(cc1)C2=COc3ccccc3C2=O;CPD-8196
OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O;CPD-8197
NC(=O)NC(O)C(=O)O;UREIDO-GLYCOLLATE
CC(C)(O)C1Cc2cc3C=CC(=O)Oc3cc2O1;CPD-8191
CCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7885
CCCCCCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7884
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7887
CCCCCCCCCCCCCC=O;CPD-7886
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7881
CCCCCCCCCCCC=O;CPD-7880
CCCCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7883
CCCCCCCCCCCCCCCCCCCC=O;CPD-7882
COC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;3457-TETRAHYDROXY-3-METHOXYFLAVONE
C1CCSC1;TETRAHYDROTHIOPHENE
CC(O)COP(=O)(O)O;12-PROPANEDIOL-1-PHOSPHATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O;CPD-7888
OC(CS)C(O)CS;DITHIOTHREITOL
NC(CCC(=O)NCCc1cnc[nH]1)C(=O)O;NALPHA-GAMMA-L-GLUTAMYLHISTAMINE
OC(=O)c1cccc(O)c1O;2-3-DIHYDROXYBENZOATE
CCN(CC)CCCC(C)Nc1c2ccc(Cl)cc2nc3ccc(OC)cc13;ATABRINE
CCC(C)C=O;METHYLBUT-CPD
NC(CC(=O)O)C(=O)NO;CPD-408
CC(=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12)C;CPD-4602
CC(CN)C(=O)O;3-AMINO-ISOBUTYRATE
CCCCCCCCCCCCCCCCCCCCO;CPD-7869
CC(=O)NC1C(O)C(O)C(CO)OC1OC2CCC3C4CCc5cc(OC6OC(C(O)C(O)C6O)C(=O)O)ccc5C4CCC23C;ALPHA-N-ACETYL-ETCETERA-ESTRADIOL-GLUCUR
OCC1OC(C(O)C(O)C1O)n2cnc3ncnc(NCc4ccccc4)c23;CPD-4607
C(Nc1ncnc2[nH]cnc12)c3ccccc3;CPD-4604
NC(CCCCN[CH2]1OC(COP(=O)(O)O)C(O)C(O)C1=O)C(=O)O;FRUCTOSELYSINE-6-PHOSPHATE
OCC1OC(Oc2cc(cc(O)c2O)c3[o+]c4cc(O)cc(O)c4cc3OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)C(O)C(O)C1O;CPD-7863
OC1C(O)C(COC(=O)CC(=O)O)OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4cc(O)c(O)c(O)c4)C1O;CPD-7862
OCC1OC(C(O)C(O)C1O)n2cnc3c(NCc4ccccc4)ncnc23;CPD-4608
C(Nc1ncnc2nc[nH]c12)c3occc3;CPD-4609
CCCCCCCCCCCCO;CPD-7867
COc1cc2CCNC(Cc3ccc(O)cc3)c2cc1O;S-COCLAURINE
Oc1ccc(Br)c(O)c1;CPD-1621
CC(C)CC(NC(=O)C(O)C(N)Cc1ccccc1)C(=O)O;BESTATIN
OC(=O)CCC(NC=N)C(=O)O;N-FORMIMINO-L-GLUTAMATE
OC1OC(C(O)C(O)C1O)C(=O)O;CPD-364
COc1ccc(cc1)C2C(O)Oc3cc(O)ccc3C2=O;CPD-3502
OC1CCC(NC1)C(=O)O;5-HYDROXY-PIPECOLATE
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(N)C(=O)O)C2=O)C(=O)O;CEPHALOSPORIN-C
CN1CCc2ccccc2C1Cc3ccccc3;N-METHYL-RS-TETRAHYDROBENZYLISOQUINOL
OC1C=C(Cl)C(Cl)C=C1Cl;245-DNOL
Oc1ccc(cc1)C2CC(=O)c3ccc(O)cc3O2;CPD-3061
CCI;IODOETHANE
OCC1OC(SC(=NOS(=O)(=O)O)Cc2ccccc2)C(O)C(O)C1O;GLUCOTROPEOLIN
CCC12CC(O)(C3Nc4cc(OC)ccc4C35CCN(CC=C1)C25)C(=O)OC;16-METHOXY-23-DIHYDRO-3-HYDROXYTABERSON
O=C1CCNC(=O)N1;A-24-DIOXOTETRAHYDROPYRIMIDINE
CC(=CCNc1ncnc2c1ncn2CC(N)C(=O)O)CO;CPD-669
NC(CCC(=O)NC(CSS(=O)(=O)O)C(=O)NCC(=O)O)C(=O)O;GLUTATHIONE-SULFITE
OC1C(O)C(O)C(=O)C(O)C1O;CPD-365
OCC1(O)OC(COP(=O)(O)O)C(O)C1O;TAGATOSE-6-PHOSPHATE
ClCC(Cl)(Cl)Cl;1112-TETRACHLOROETHANE
CC(C)CC(=O)CC(C)C1CCC(=CC1)C(=O)O;CPD-8836
OCC(O)C(O)C(O)CO;RIBITOL
OC(=O)CCC(NC(=O)CCC(=O)O)C(=O)O;N2-SUCCINYLGLUTAMATE
CCCCCC(O)C=CC1C(CC=CCCCC(=O)O)C2CC1OO2;PROSTAGLANDIN-H2
CC(CO)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C;7-ALPHA27-DIHYDROXYCHOLESTEROL
CC(C)CCCC(C)C1CC=C2C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-8609
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC;CPD-7802
NCCc1cnc[nH]1;HISTAMINE
OCC(O)C(O)C(O)C(O)C(=O)O;D-ALTRONATE
OC1CCCC(=O)C1;3-HYDROXYCYCLOHEXANONE
NC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O;INDOLE-3-ACETYL-GLN
OCC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)C(O)C(O)C1O;CPD-7260
CC(C(=O)C)C(=O)OCc1ccccc1;BENZYL-2-METHYL-3-OXOBUTANOATE
CC(C)C1=CCC2C(=C1)CCC3C(C)(C)CCCC23C;CPD-8695
O=CNCc1ccccc1;CPD-7268
Oc1cccc2ccccc12;NAPHTHOL
NC(CSCC(=O)O)C(=O)O;S-CARBOXYMETHYL-D-CYSTEINE
NC(=O)NC1=NC(=O)NC1(O)C(=O)O;CPD-5821
CP(=O)(O)OC1C=C(C(F)C(OC(=O)C(=C)O)C1O)C(=O)O;6S-6-FLUORO-EPSP
COc1cc(C=CC(=O)NCCc2c[nH]c3ccc(O)cc23)ccc1O;CPD-8935
OC(=O)C(=O)Cc1c[nH]c2ccccc12;INDOLE_PYRUVATE
COc1cc(ccc1O)C2=CC(=O)c3c(O)c(OC4OC(CO)C(O)C(O)C4O)c(O)cc3O2;ISOSCOPARIN
OCCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O;20-OH-LTB4
NCC=O;CPD-1772
Cn1cnc2ncnc2c1N;1-METHYLADENINE
CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(=CC(O)C2O)C(=O)O;4-DEOXY-BETA-ETCETERA-GALACTOSAMINE
CC=CC#N;CPD-8861
Oc1ccc2[nH]cc(CCNC(=O)C=Cc3ccccc3)c2c1;CPD-8937
CC(CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C)C=O;3-ALPHA7-ALPHA12-ALPHA-TRIHYDROX
CC(C)C(C)CCC(C)C1CCC2C3CCC4=CC(O)CCC4(C)C3CCC12C;CPD-708
CC(CCOc1ccc2nc3ccccc3nc2c1)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CPD-7323
Nc1c(ncn1C2OC(COP(=O)(O)O)C(O)C2O)C(=O)O;PHOSPHORIBOSYL-CARBOXY-AMINOIMIDAZOLE
Oc1ccc(O)nc1;2,5-dihydroxypyridine
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O;NIGEROSE
c1ccc(nc1)c2ccccn2;22-BIPYRIDYL
Clc1ccc(cc1)N2N=NC3C4CC(C5N=NC45)C23;TETCYCLACIS
ONC=C1C=CC=CC1=O;SALICYLALDOXIME
Cc1cccc(c1)[N+](=O)[O-];3-NITROTOLUENE
Oc1cc(O)c(O)c(O)c1;1235-TETRAHYDROXYBENZENE
NCCCCC(=O)O;5-AMINOPENTANOATE
CCOC(=S)S;XANTHATE
OC(COP(=O)(O)O)C(O)C(=O)CNc1ccccc1C(=O)O;CARBOXYPHENYLAMINO-DEOXYRIBULOSE-P
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCCCCC;CPD-8452
NC(=O)Nc1nc[nH]c1C(=O)O;5-UREIDO-4-IMIDAZOLE_CARBOXYLATE
OC1CC(O)C(COP(=O)(O)O)O1;DEOXY-RIBOSE-5P
NC(CS)C(=O)O;CYS
OC(=O)C(CCCNC(=O)c1ccccc1)NC(=O)c2ccccc2;CPD-430
OP(=O)(O)OCC(=O)Cc1c[nH]cn1;IMIDAZOLE-ACETOL-P
OC(=O)CCCCC(=CC(=O)O)C(=O)O;CPD-319
CC(=O)OCC(N)C(=O)O;ACETYLSERINE
COc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1;CPD-3401
NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-];N-BENZOYL-D-ARGININE-4-NITROANILIDE
Nc1ncnc2c1ncn2C3OC4COP(=O)(O)OC4C3O;CAMP
CC1Cc2cc(O)cc(O)c2C(=O)O1;6-HYDROXYMELLEIN
OCC(O)C(O)C(O)C(O)C(=O)O;D-GALACTONATE
COC(=O)C(N)CCCNC(=N)N;ARGININE-METHYL-ESTER
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;CHENODEOXYCHOLATE
CC(O)CC=O;CPD-8445
CC(C)C(NO)C(=O)O;CPD-4862
COc1ccccc1I;2-IODOPHENOL-METHYL-ETHER
COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2O)cc(OC)c1O;1-O-SINAPOYL-BETA-D-GLUCOSE
COc1cc2OCOc2cc1C3COc4cc(OC5OC(CO)C(O)C(O)C5O)cc(O)c4C3=O;CPD-4566
OCC(O)C1OC(=O)C(=O)C1=O;L-DEHYDRO-ASCORBATE
NC(C(=O)O)C(=O)O;AMINOMALONATE
[O-][N+](=O)c1ccc(C=O)cc1;CPD-703
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;ALPHA-D-GALACTOPYRANOSE-1-PHOSPHATE
NCCCN;CPD-313
OC(=O)c1cc(Br)c(O)c(Br)c1;35-DIBROMO-4-HYDROXY-BENZOATE
OC(=O)CCCCC1CCSS1;LIPOIC-ACID
CC1=C(C=C)C(=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C)NC1=O;BILIVERDINE
OCC1OC(=O)C(=C1O)O;CPD-1789
CSCCC(=O)O;CPD-7672
OC(=O)CCS;CPD-7673
CSC;CPD-7670
CS;CPD-7671
CI;CPD-7676
CSCCO;CPD-7677
Oc1ccc2ccccc2n1;QUINOLIN-2-OL
O=C(Nc1ccccc1)Nc2cnns2;THIDIAZURON
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1cccc(O)c1O)C)C)C)C)C)C)C)C;2-OCTAPRENYL-6-HYDROXYPHENOL
CC(O)CS;CPD-7678
C[N+](C)(C)C;CPD-7679
CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC2OC(COC(=O)C)C(O)C(O)C2O;DIGLUCOACETYL-DOCOSANOATE
OC(=O)CCC(=CC(=O)O)C(=O)O;CARBOXYHEXENEDIOATE
CC=C1CC(C)C(C)(O)C(=O)OCC2=CCN3CCC(OC1=O)C23;CPD-8986
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;ERGOSTEROL
Cc1ncc(C[n+]2cccc(CCO)c2C)c(N)n1;AMINO-ETC-METHYLPYRIMIDINIUM
COc1ccc(cc1O)C2CC(=O)c3c(O)cc(O)cc3O2;CPD-7072
COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4O)cc3O2;CPD-7073
COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(CO)C(O)C(O)C4OC5OC(C)C(O)C(O)C5O)cc3O2;CPD-7074
COc1ccc(cc1O)C2CC(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3O2;CPD-7075
CCC(C)C(=O)O;CPD-7076
CC=C(C)C(=O)O;CPD-7077
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(=O)N1;CPD-7078
COc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)cc3;CPD-7079
CN1C(=O)N(C)c2ncn(C)c2C1=O;1-3-7-TRIMETHYLXANTHINE
OCC1(O)C(O)OCC(O)C1O;D-HAMAMELOSE
OC1C(O)C(OC1COP(=O)(O)O)N2C=Nc3c(ncn3C4OC(COP(=O)(O)O)C(O)C4O)C2=N;PHOSPHORIBOSYL-AMP
NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;NADH
OC(CC(=O)O)C(O)C(=O)COP(=O)(O)O;CPD-645
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O;UDP-MANNAC
OCc1ccc(cc1)S(=O)(=O)O;4-HYDROXYMETHYLBENZENESULFONATE
CC=C1CN2C3CC45C(OC(=O)C)C3C1CC2C4=Nc6ccccc56;VINORINE
[O-][N+](=O)C1CCCCC1;CPD-8139
C[S+](C)C;TRIMETHYLSULFONIUM
C[N+](C)(C)CCOP(=O)(O)O;PHOSPHORYL-CHOLINE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(OP(=O)(O)O)C3O;PAP
CC(=O)NC(CCCC(=O)C(=O)O)C(=O)O;N-ACETYL-L-2-AMINO-6-OXO-PIMELATE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(O)C=C(C)C1O)C)C)C)C)C)C)C)C)C;2-METHYL-6-SOLANYL-14-BENZOQUINONE
Oc1ccc2sc3ccccc3c2c1O;12-DIHYDROXYDIBENZOTHIOPHENE
CC(=O)NC(CCCC=O)C(=O)O;N-ACETYL-AAA-SEMIALDEHYDE
OCC1OC(Oc2cc(O)c(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2)C(O)C(O)C1O;CPD-8633
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)CCC13;7-DEOXYLOGANIN
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC(=O)CCCCC4SCC5NC(=O)NC45)C(O)C3O;BIO-5-AMP
COc1c2C=CC(=O)Oc2cc3occc13;5-METHOXYFURANOCOUMARIN
Oc1ccc(cc1OS(=O)(=O)O)C2=C(OS(=O)(=O)O)C(=O)c3c(O)cc(OS(=O)(=O)O)cc3O2;QUERCETIN-337-TRISSULFATE
OCCCl;2-CHLOROETHANOL
CSCCC(C(O)C(=O)O)C(=O)O;3-2-METHYLTHIOETHYLMALIC-ACID
O=Cc1c[nH]c2ccccc12;INDOLE-3-CARBOXALDEHYDE
NCCCl;2-CHLOROETHYLAMINE
NCCSSCCN;CYSTAMINE
OC(=O)C(CS(=O)(=O)O)OP(=O)(O)O;2R-O-PHOSPHO-3-SULFOLACTATE
CC(=O)NC(CC(=C)c1ccccc1N)C(=O)O;N-ACETYL-D-TRYPTOPHAN
CC(=CCOP(=O)(O)OP(=O)(O)O)CO;HYDROXY-METHYL-BUTENYL-DIP
C=C1C(=O)Nc2ccccc12;3-METHYLENEOXINDOLE
Oc1ccc(CC2=NC3=C(Cc4ccccc4)NC(=CN3C2=O)c5ccc(O)cc5)cc1;OPLOPHORUS-LUCIFERIN
OCC1OC(Oc2cc(O)c(C(=O)C=Cc3ccc(O)cc3)c(O)c2)C(O)C(O)C1O;CPD-8632
CC1(CO)CCCC2(C)C3CCC(C)(CC3=CCC12)C=C;CPD-8726
CNC(C(C)C)C(=O)O;CPD0-1059
CSC(=O)C(O)COP(=O)(O)O;S-METHYL-3-PHOSPHO-1-THIO-D-GLYCERATE
O=CCc1c[nH]c2ccccc12;INDOLE_ACETALDEHYDE
CC(C)Nc1nc(O)nc(O)n1;N-ISOPROPYLAMMELIDE
Oc1ccc(cc1C=O)[N+](=O)[O-];CPD-8877
OC1OC(C(OC2OC(=CC(O)C2O)C(=O)O)C(O)C1O)C(=O)O;GALACTURONATE-CPD
OCC(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C1F;CPD0-1053
CC(=O)C[N+](C)(C)C;CPD-5621
CCCCCCCCOC1OC(CO)C(O)C(O)C1O;CPD0-1051
OCC1OC(OC2(CO)OC(COP(=O)(O)O)C(O)C2O)C(O)C(O)C1O;SUCROSE-6P
CC1OC(C)c2c(O)c3C(=O)CC4(O)OC5C(C)OC(C)c6c(O)c7C(=O)CC8(O)OC1c2c9c8c7c(c56)c4c39;XANTHOAPHIN
CC12CCC3C(CCc4cc(OC5CC(O)C(O)C(O5)C(=O)O)ccc34)C1CC(O)C2O;ESTRIOL-16A-GLUCURONIDE
C=C1CC(=O)OC1=O;ITACONIC-ANHYDRIDE
OC(CCC(=O)O)c1cccnc1;CPD-3193
OC(=O)CCC(=O)c1cccnc1;CPD-3192
CNC(=O)CCC(=O)c1cccnc1;CPD-3191
NC(=O)CCC(=O)c1cccnc1;CPD-3190
CCCCCCCCCCCCCC=CC(O)C(N)CO;SPHINGOSINE
CC(C)CCC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-7189
O=C1CCC(O1)c2cccnc2;CPD-3195
OC(=O)CC=Cc1cccnc1;CPD-3194
NC(=N)NCCCCNC(=N)N;CPD-595
NC(=N)NCCC(=O)O;CPD-594
NCCCCNC(=O)N;CPD-597
CN(C)C(=N)NCCCC(N)C(=O)O;CPD-596
Oc1cc(O)c2cc(O)c([o+]c2c1)c3ccc(O)c(O)c3;CPD-591
OC1C(O)c2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3;CPD-590
CNC(=N)N;CPD-593
NC(=N)NCCCC(=O)O;CPD-592
CC12C(O)C=CC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;GIBBERELLIN
NCC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;FAD-STEM-GROUP
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7895
NC(=N)NC(CC(=O)O)C(=O)O;CPD-599
NC(NC(=O)N)C(=O)O;CPD-598
CC(C(=O)O)C(=C)C(=O)O;2CH2-3CH3-SUCC
Nc1ccccc1O;2-AMINOPHENOL
CC(C)(O)C1CCC2(C)C1CCC3(C)C2CCC4C5(C)CCCC(C)(C)C5CCC34C;HOPAN-22-OL
C1CC=[NH+]N1;2-PYRAZOLINE
Cc1ncc(cc1O)C(=O)O;CPD-1071
CC1CCC2C(CCC3CC(O)CC(=O)O3)C(C)C=CC2C1;DIHYDROMONACOLIN-L
CC12CCC3C(CCC4=CC(=O)CCC34CO)C1CCC2O;19-HYDROXYTESTOSTERONE
COc1ccc(cc1)C(=O)O;CPD-1076
CC(=O)n1ccnc1;CPD-434
CC(C)(CO)C(O)C(=O)NCCC(=O)NC(CS)C(=O)O;N-PANTOTHENOYL-CYSTEINE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)[n+]5cccc(c5)C(=O)O)C(O)C3O;DEAMIDO-NAD
CC(O)CO;CPD-8891
NCCOP(=O)(O)O;PHOSPHORYL-ETHANOLAMINE
CC(O)CN;1-AMINO-PROPAN-2-OL
CCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7899
OCC1OC(OC2C(O)C(O)C(CO)OC2c3c(O)cc(O)c4C(=O)C=C(Oc34)c5ccc(O)cc5)C(O)C(O)C1O;VITEXIN-2-O-BETA-D-GLUCOSIDE
NC1=NC(=O)N(C=C1CO)C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2;DEOXY-HYDROXYMETHYLCYTIDINE-DIP
CCCCCCCCOC1OC(CO)C(O)C(O)C1NC(=O)C;CPD0-1052
COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O;O-SINAPOYLCHOLINE
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC=O;SECOLOGANIN-CPD
O=C1C(=O)c2cccc3cccc1c23;ACENAPHTHENEQUINONE
OC(=O)C1CCC(=O)N1;PYRROLIDONE-CARBOXYLATE
COc1cc(C=CCO)cc(OC)c1O;SINAPYL-ALCOHOL
Nc1c(ncn1C2OC(COP(=O)(O)O)C(O)C2O)C(=O)NC(CC(=O)O)C(=O)O;P-RIBOSYL-4-SUCCCARB-AMINOIMIDAZOLE
OCC(O)c1c[nH]c2ccccc12;INDOLE-3-GLYCOL
C[N+](C)(C)CCOP(=O)(O)OCC(O)CO;SN-3-GLYCEROPHOSPHOCHOLINE
CC(Cc1ccc(O)c(O)c1)C(C)Cc2ccc(O)c(O)c2;CPD-7661
CC(N)C(=O)N;CPD-7692
O=C1CCCC=C1;CPD-282
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)C(O)CC1=O;CPD-1078
CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C(O)C1O;QUERCITRIN
OCC(O)C(O)C(O)C(O)C=O;ALTROSE
OC1C=CC(=CC1OC(=C)C(=O)O)C(=O)O;CHORISMATE
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CPD1F-129
CC1(C)CCCC2(C)C1CCC34CC(CCC23)C(=C)C4;CPD1F-128
CC(O)(CC(=O)O)C(=O)O;S-CITRAMALATE
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C)C)C;CPD1F-126
CC1(CCCC2(C=O)C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD1F-120
OC(=O)CCc1ccc(O)cc1;PHLORETATE
OCC(=O)C(O)C(O)C(=O)C=O;15-ANHYDRO-D-FRUCTOSE
CC(C)C(N)C(=O)O;CPD-3642
OCC(O)C(O)C(O)C(=O)CNCC(=O)O;FRUCTOSEGLYCINE
CC(=O)C=Cc1ccc(O)cc1;CPD-8636
CC(C)c1ccc2c(CCC3C(C)(CO)CCCC23C)c1;CPD-8722
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;CHENODEOXYCHOLOYLTAURINE
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(=O)NCC(=O)O)C(=O)O;OXIDIZED-GLUTATHIONE
CN(C)C;TRIMETHYLAMINE
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;GLC-1-P
CC1CCC(C2C=C(C)CCC12)C(=C)CO;CPD-7556
CC(=O)NCCCC(N)CC(=O)O;3-AMINO-6-ACETAMIDOHEXANOATE
CC(=O)Nc1ccc(O)cc1;CPD-7669
CC(=O)N(O)CCCN;CPD-1023
NCCCNO;CPD-1022
OC1CCC(CC1)C(=O)O;4-HYDROXYCYCLOHEXANECARBOXYLATE
CCCCCCCCCC(=O)C;2-UNDECANONE
ClC=C(Cl)Cl;TRICHLOROETHENE
CNC(C)C(O)c1ccccc1;--EPHEDRINE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)C1O;CPD-353
NC(CCC(=O)O)C(=O)O;D-GLT
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O;CPD-351
CC(O)(CCO)CC(=O)O;CPD-350
OCC(O)C(O)C(O)C(O)CO;CPD-357
OCC1OC(=O)C(O)C1O;CPD-356
OCC(O)C(O)C(O)CO;CPD-355
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)C1O;CPD-354
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;CPD-7526
C1CCNC1;PYRROLIDINE
CC(O)C(NC(=O)CCCCCCS)C(=O)O;CPD-359
CC(O)C=O;CPD-358
CC1(CCC2C(=CCC3C2(C)CCCC3(C)C(=O)O)C1)C=C;CPD-8729
CC1(CCC2C(=CCC3C(C)(CCCC23C)C=O)C1)C=C;CPD-8728
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;L-MYO-INOSITOL-12346-PENTAKISPHOSPHA
NC(CCCC(=O)C(=O)O)C(=O)O;L-ALPHA-AMINO-EPSILON-KETO-PIMELATE
CCCCCCCCCCCCCCCC(=O)OCC(O)CO;CPD-8508
OC1C(O)C(O)C(O)C(O)C1O;CPD-8059
COC1C(O)C(O)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O;CPD-8058
CCCCCCCCC(=O)O;CPD-8505
COC1C(O)C(O)C(O)C(O)C1O;CPD-8056
CC=C(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-8507
OC1C(O)C(O)C(O)C(O)C1O;CPD-8054
OC1C(O)C(O)C(O)C(O)C1O;CPD-8053
OC1C(O)C(O)C(O)C(O)C1O;CPD-8052
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-8503
OC1C(O)C(O)C(O)C(O)C1O;CPD-8050
CC(N)C(=O)OP(=O)(O)OCC(O)COP(=O)(O)OCC(O)CO;ALANYL-POLYGLYCEROLPHOSPHATE
OC1COC(O)(C=O)C(O)C1O;CPD-9056
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-178
Clc1ccc(Cl)cc1;14-DICHLOROBENZENE
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8295
CC(C)(CO)C(O)C(=O)NCCC(=O)O;PANTOTHENATE
CN1CC(=O)NC1=N;CREATININE
OCC1OC(OCC2OC(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-170
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8291
OC(=O)C(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1;CPD-176
CC(N)(Cc1ccc(O)c(O)c1)C(=O)O;ALPHA-METHYLDOPA
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8292
CC1(C)C2CCC3(C)C(C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O)C2(C)CCC1=O;3-OXOGLYCYRRHETINATE
CC(CCCC(C)(C)O)C1CCC2CC(=CC=C3CC(O)CCC3=C)CCC12C;CALCIDIOL
Oc1cccc(c1O)S(=O)(=O)O;3-SULFOCATECHOL
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(C(O)C(O)C3O)C(=O)O)O2)C(=O)NC1=O;CPD-361
NC(CCCC=O)C(=O)O;ALLYSINE
CC(=O)Oc1cccc2ccccc12;ALPHA-NAPHTHYL-ACETATE
NC1=[NH+]C(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2)N1;THF
NC(COP(=O)(O)O)Cc1c[nH]cn1;L-HISTIDINOL-P
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C4CC3)C(=O)O;CPD-8619
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C=O)C4CC3;CPD-8618
COc1cc(C=CC)ccc1O;ISOEUGENOL
COc1ccc2nccc(C(O)C3CC4CCN3CC4C=C)c2c1;QUININE
NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CCNC(=N)N2;TUBERACTINOMYCIN-O
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(CO)C4CC3;CPD-8611
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-8610
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C4CC3)C(=O)O;CPD-8613
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C=O)C4CC3;CPD-8612
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OCC(O)C(O)C(O)CO)C(O)C2O;CPD-1111
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(=O)C(C)C4CC3;CPD-8614
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(CO)C4CC3;CPD-8617
Cc1ncc(CO)c(C(=O)O)c1O;CPD-1112
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C;CPD-634
O=C1COc2ccccc2N1;CPD-6405
OCC1OC(O)C(O)C(O)C1O;ALLOSE
OC(=O)c1ccc(O)c(O)c1C(=O)O;CPD-635
CC(OC1C(O)C(CO)OC(O)C1NC(=O)C)C(=O)O;NACMUR
OC(=O)c1ccc(F)cc1;4-FLUOROBENZOATE
OCc1cccc(c1)[N+](=O)[O-];3-NITROBENZYL-ALCOHOL
OC(=O)C=Cc1ccc(O)cc1;COUMARATE
NC1=Nc2[nH]cnc2C(=O)N1;GUANINE
CCCCCCCCCCCCC(O)C(=O)O;CPD-8471
CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O;CPD-8470
CCCCCCCCCCCCCC(O)C(=O)O;CPD-8473
CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O;CPD-8472
CCCCCCCCCCCCCCC(O)C(=O)O;CPD-8475
CCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O;CPD-8474
CCCCCCCCCCCC=CCCCCC(=O)O;CPD-8477
OC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1;CPD-8479
CCCCCCCCC=CCC=CCCCCC(=O)O;CPD-8478
OCC(O)C(O)C(O)C(=O)C(=O)O;CPD-377
CCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7872
OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3O;VALIDAMYCIN-A
OC(=O)c1ccc(C=O)cc1;4-CARBOXYBENZALDEHYDE
Clc1cccc(n1)C(Cl)(Cl)Cl;NITRAPYRIN
NC(CC1=CC(=O)C(=CC1=O)O)C(=O)O;TOPAQUINONE
COc1ccc2N(O)C(=O)C(O)Oc2c1;CPD-6366
CC1(C(O)C(=O)C=C2C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-632
OC1CSSCC1O;OXIDIZED-DITHIOTHREITOL
CC(=O)Cc1ccccc1;CPD-7233
OC(=O)c1cc(O)ccc1O;CPD-633
OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)COP(=O)(O)O;d-sedoheptulose-1,7-p_{2}
NC(CCCC(N)C(=O)O)C(=O)O;C8
Cc1cccnc1NC(O)(P(=O)(O)O)P(=O)(O)O;HERBICIDE-14A
NC(=O)NC(O)C(=O)O;CPD-1091
O=C(NN=C1CCCCC1)C(=O)NN=C2CCCCC2;CUPRIZONE
NC(CSS(=O)(=O)O)C(=O)O;SULFO-CYSTEINE
CC(N)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)NC(C)C(=O)NC(C)C(=O)O)C(=O)O;C7
CCCCCCCC;CPD-148
OC(=O)c1ccccc1F;2-FLUOROBENZOATE
OC(=O)C1CSC(N1)c2c[nH]c3ccccc23;INDOLE-TETRAHYDRO-THIAZOLE
NC(CCOC(=O)CCC(=O)O)C(=O)O;O-SUCCINYL-L-HOMOSERINE
OC(=O)CC(CC(=O)O)C(=O)O;CPD-3571
CC(=O)C(O)C(O)CO;CPD-1093
[N+];NH42SO4
CC1OC(OCC2OC(OC3C(Oc4cc(O)ccc4C3=O)c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O;FLAVONOL-3-O-L-RHAMNOSYLGLUCOSIDE
COC1OC(CO)C(O)C(O)C1O;CPD-3570
CC(N)C(=O)NC(CCC(=O)O)C(=O)O;L-ALA-GAMMA-D-GLU
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1N;CPD-1094
O=CC=O;CPD-8887
Nc1ccc(cc1)C(=O)O;P-AMINO-BENZOATE
COC(=O)C(=O)C;CPD-3573
S=C=NCc1ccccc1;BENZYL-ISOTHIOCYANATE
O=Cc1cccnc1;CPD-9060
CC(CO)CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12;CPD-4615
CC(=CCNc1ncnc2[nH]cnc12)COC3OC(CO)C(O)C(O)C3O;CPD-4614
CC(CCNc1ncnc2[nH]cnc12)COC3OC(CO)C(O)C(O)C3O;CPD-4617
CC(CO)CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O;CPD-4616
OCC1OC(C(O)C(O)C1O)n2cnc3c(NCc4occc4)ncnc23;CPD-4611
OCC1OC(C(O)C(O)C1O)n2cnc3ncnc(NCc4occc4)c23;CPD-4610
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O)CO;CPD-4613
CC(=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12)CO;CPD-4612
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C=CCC1(C)C)C=CC=C(C)C=CC2=C(C)C=CCC2(C)C;CPD-7856
CC(=CCCC(=CCO)C)CO;CPD-7857
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=CCC1(C)C)O)C=CC=C(C)C=CC2=C(C)C(=CCC2(C)C)O;CPD-7854
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O)CO;CPD-4619
CC(=CCNc1ncnc2ncn(C3OC(CO)C(O)C(O)C3O)c12)CO;CPD-4618
CC(C)C=NO;2-METHYLPROPANAL-OXIME
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C;CPD-7851
OCC1OC(CO)(OC2OC(CO)C(O)C(=O)C2O)C(O)C1O;CPD-384
OC1=CC(=O)C=CC1=O;HYDROXYBENZOQUINONE
OC1C(O)C(COP(=O)(O)O)OC(OP(=O)(O)O)C1O;BETA-GLUCOSE-16-DIPHOSPHATE
O=C1C=CC=CC1=O;CPD-385
OCC1OC(CC2(CCl)OC(CCl)C(O)C2O)C(O)C(O)C1Cl;CPD-5582
COC(=O)C(Cc1ccccc1)NC(=O)C(N)CC(=O)O;CPD-5583
O=C1NS(=O)(=O)c2ccccc12;CPD-5581
COc1ccc2[nH]cc(CCNC(=O)C)c2c1;MELATONIN
OC(=O)C1=CC=CC(=O)C1=N;CPD-386
Oc1cc(Cl)c(O)c(Cl)c1Cl;236-TRICHLOROHYDROQUINONE
OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O;FRUCTOSE-16-DIPHOSPHATE
NCCCC(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)NC(=N)N2;VIOMYCIN
COC1=C(C#N)C(=O)N(C)C=C1;RICININE
OCC1OC(Oc2ccc3C4Oc5cc6OCOc6cc5C4COc3c2)C(O)C(O)C1O;CPD-4222
CC1CCC=C2CCC(CC12C)C(=C)C;CPD-7989
CC(=O)Oc1ccccc1C(=O)O;CPD-524
CC(=CCCC(C)(O)C=C)C;CPD-7984
OC(=O)C(=O)CS(=O)(=O)O;CPD-380
CC(CCC=C(C)C)CC=O;CPD-7986
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)C(=O)NC1=O;TDP
CC(CCO)CCC=C(C)C;CPD-7980
COc1cc(C=CCO)cc(O)c1O;5-HYDROXY-CONIFERYL-ALCOHOL
OC(=O)CCC(=O)C=O;DIKETOVALERATE
CC1=CNC(=O)NC1=O;THYMINE
OCC(O)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O;CPD-6021
OCC(=O)C(O)C(O)C(=O)CO;CPD-382
NC1=[NH+]C(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N1;DIHYDROFOLATE
OC1C=C2CCNC2=CC1O;CPD-8853
Cc1ncc(C=O)c(CO)c1O;CPD-383
COC(=N)CCCCCCC(=N)OC;DIMETHYLSUBERIMIDATE
OCC(O)C(O)C(O)CO;XYLITOL
COc1cc(cc(OC)c1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;SYRINGETIN
c1ncc2[nH]cnc2n1;PURINE-RING
NCCCC(N)C(=O)O;L-ORNITHINE
Clc1ccc(COC(Cn2ccnc2)c3ccc(Cl)cc3Cl)c(Cl)c1;CPD-4501
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;5734-TETRAHYDROXYFLAVONE
CCCCCCCCCCCCCN1CC(C)OC(C)C1;CPD-4505
CC(CN1CC(C)OC(C)C1)Cc2ccc(cc2)C(C)(C)C;CPD-4504
NCCCCCCNS(=O)(=O)c1cccc2c(Cl)cccc12;CPD-4507
CN1C=CN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)C=C1;CPD-4506
Oc1cc(O)c2C(=O)CC(Oc2c1)c3cc(O)c(O)c(O)c3;CPD-7214
CC(=O)NC1C(O)OC(CO)C(OC2OC(COP(=O)(O)O)C(O)C(O)C2NC(=O)C)C1O;DIACETYLCHITOBIOSE-6-PHOSPHATE
CC(C(=O)O)C(=O)C(=O)O;METHYLOXALO-ACETATE
NC(CCCCN[CH2]1OC(CO)C(O)C(O)C1=O)C(=O)O;FRUCTOSELYSINE
CCCCCCCCCCCCCCC=O;CPD-388
CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC;CPD-7248
NC(=O)NC(=O)C(=O)O;CPD-389
CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14;SANGUINARINE
NC(=O)NC(O)C(=O)O;CPD-80
CC(=O)NC1C(O)C(OS(=O)(=O)O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O;UDP-N-ACETYL-D-GALACTOSAMINE-4-SULFATE
CC(=C1CCC(=CCCC=C(C)C1)C)C;CPD-8747
CCCCCCC1CC1CCCCCCCCCC(=O)O;LACTOBACILLIC_ACID
CCC1OC(=O)C(C)C(O)C(C)C(O)C(C)CC(C)C(=O)C(C)C(O)C1C;CPD-428
OC(=O)c1ccc[nH]1;PYRROLE-2-CARBOXYLATE
CNC;DIMETHYLAMINE
OC1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3C(=O)NC=Nc23;DITP
CC(C)C(=O)c1c(O)cc(O)c(CC=C(C)C)c1O;4-PRENYLPHLORISOBUTYROPHENONE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O;inositol_1,4,5-trisphosphate
OCCCCCCC(O)CCCCCCCCC(=O)O;9--OR-1016-DIHYDROXYPALMITATE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(=O)N1;GDP-L-GALACTOSE
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC;CPD-7800
NCCSP(=O)(O)O;CPD-3721
OCC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1O;3-BETA-D-GLUCOSYLGLUCOSE
NC(=O)c1ccc[n+](c1)C2OC(CO)C(O)C2O;NICOTINAMIDE_RIBOSE
CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)CO;8-APO-BETA-CAROTENOL
CC1(C)C2CC(=O)C1(C)CC2=O;CPD-1902
CC(=NO)C(=O)O;CPD-3344
Oc1ccc(cc1)c2[o+]c3cc(O)cc(O)c3cc2O;PELARGONIDIN-CMPD
COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3;CPD-3343
OC1=C(Oc2ccccc2C1=O)c3ccccc3;CPD-3261
CC1(C)C2CCC1(C)C(O)C2;CPD-1903
Oc1c[nH]c2ccccc12;INDOXYL
Cc1ccc(CO)cc1;4-METHYLBENZYL-ALCOHOL
C1CN=C2N=CN=CC2=N1;67-DIHYDROPTERIDINE
Clc1ccccc1;CHLOROBENZENE
OC1C=Cc2nc(O)ccc2C1O;256-TRIHYDROXY-56-DIHYDROQUINOLINE
CC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-5961
CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-5962
CC1(C)SC2C(NC(=O)CCCC([N+])C(=O)O)C(=O)N2C1C(=O)O;ISOPENICILLIN-N
CC1=CC(O)C(O)(C=C1)C(=O)O;CIS-12-DIHYDROXY-ETCETERA-CARBOXYLATE
CC(CCC=C(C)C)C1CC=C2C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;44-DIMETHYL-CHOLESTA-812-24-TRIENOL
CC1CCc2c(C)coc2C1;CPD-4981
CCC(=C)C(=O)c1ccc(OCC(=O)O)c(Cl)c1Cl;ETHACRYNATE
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3;CPD1F-90
CC(=CC=O)C=CC12OC1(C)CC(=O)CC2(C)C;CPD1F-92
CC12CCCC(C)(C1C(C(=O)O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD1F-95
CC1(CCCC2(C=O)C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD1F-96
CC1(CCCC2(CO)C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD1F-97
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;CPD1F-98
CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)CO)C(=O)O;N-ACETYLNEURAMINATE
COc1ccc(CCN)cc1O;CPD-7665
Cc1ccc(cc1)C(=O)c2cc(O)c(O)c(c2)[N+](=O)O;CPD-7664
NCc1ccc(O)c(O)c1;CPD-7667
NCCc1cc(O)c(O)cc1O;CPD-7666
Nc1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N;5-PHOSPHORIBOSYL-45-AMINOIMIDAZOLE
OCC(O)CO;GLYCEROL
CC(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)O)C(=O)C;CPD-7663
CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+](=O)O)C#C;CPD-7662
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO;CPD-8366
CCCCCC(O)C=CC1OC2CC(O2)C1CC=CCCCC(=O)O;ALPHA11-ALPHA-EPOXY-15-HYDROXYTHROMBA
CC(=O)NCCC(N)C(=O)O;N-ACETYL-L-24-DIAMINOBUTANOATE
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC(=O)O2;TESTOLOLACTONE
OCCC#Cc1ccc(s1)c2cccs2;5-4-HYDROXYBUT-1-YNYL-22-BITHIOPHENE
CCc1c(C)c(C=O)[nH]c1Cc2[nH]c3C(=C4N=C(C=C5NC(=O)C(=C5C)C=C)C(C)C4CCC(=O)O)C(C(=O)OC)C(=O)c3c2C;CPD-7063
CC(C)C1CCC(=C)C=C1;CPD-8769
CCc1c(C)c2cc3[nH]c(cc4nc(C(CCC(=O)O)C4C)c5C(C(=O)OC)C(=O)C6=C(C)c(cc1n2)[nH]c56)c(C)c3C=C;CPD-7061
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-6742
CC(O)CC(=O)O;CPD-1843
CC(C(O)C(=O)O)C(=O)O;CPD-7066
CCc1c(C)c(C=O)[nH]c1Cc2[nH]c3C(=C4N=C(CC5NC(=O)C(=C5C)C=C)C(C)C4CCC(=O)O)C(C(=O)OC)C(=O)c3c2C;CPD-7064
NC1=NC(=O)N(C=C1CO)C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2;DEOXY-OH-METHYLCYTIDINE-TRIPHOSPHATE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;CPD-6745
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)CC4CC3;CPD-8621
OC(=O)O;HCO3
Nc1ncnc2c1ncn2C3OC(CSc4ccc(cc4)[N+](=O)[O-])C(O)C3O;5-P-NITROPHENYLTHIOADENOSINE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;CPD-6744
OC(=O)CCC([N+])C=C;VIGABATRIN
CC(=O)NC1C(O)C(OS(=O)(=O)O)C(COS(=O)(=O)O)OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O;UDP-ACETYL-ETCETERA-BISSULFATE
CC=C1C2CC3N(C4CC5(C(OC(=O)C)C24)C3=Nc6ccccc56)C1O;VOMILENINE
COc1ccc(cc1)C(O)(C2CC2)c3cncnc3;CPD-4022
OC(=O)c1ccc(cc1)C(=O)O;TEREPHTHALATE
NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;6-ALPHA-D-GLUCOSAMINYL-1D-MYO-INOSIT
OCCCCCCCCC=CCCCCCCCC(=O)O;18-HYDROXYOLEATE
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;CPD-6746
NCC(=O)NC1OC(COP(=O)(O)O)C(O)C1O;5-PHOSPHO-RIBOSYL-GLYCINEAMIDE
CC(=O)CCc1ccc(O)cc1;CPD-8647
Cn1c[n+](C2OC(CO)C(O)C2O)c3NC=NC(=O)c13;CPD0-1040
OC=CC(=O)O;CPD-1135
OC1C(CC(=CC1OP(=O)(O)O)C(=O)O)OC(=C)C(=O)O;3-ENOLPYRUVYL-SHIKIMATE-5P
NC1=[NH+]C(=O)C2=C(NCC3CN(C=[N+]23)c4ccc(cc4)C(=O)NC(CCC(=O)O)C(=O)O)N1;5,10-methenyl-thf
CC(=O)CC(=O)Oc1ccccc1;CPD-8881
CC(O)C(O)C=C(O)C(=O)O;DEHYDFUC-CPD
CN1C=Nc2c(ncn2C3OC(CO)C(O)C3O)C1=O;CPD0-1042
CCCCCCCCCCCCC=CCC(=O)OC(CO)COP(=O)(O)OCC(O)CO;CPD-8364
COc1cc(O)c2C(=O)C=C(Oc2c1C3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)c5ccc(O)cc5;7-O-METHYLVITEXIN-2-O-B-L-RHAMNOSIDE
CC12CCC3C(CCC4CC(O)CCC34C)C1CC(O)C2;16-ALPHA-HYDROXYSTEROID
COC(n1cncn1)C(C)(O)c2ccc(Cl)cc2Cl;CPD-4023
COC(O)C1=CC(=O)C=C(OC)C12Oc3cc(C)cc(O)c3C2=O;CPD-1901
CC(=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)C=CC=C(C)C=CC3=C(C)CC(O)CC3(C)C;CPD1F-131
COC(O)C1=CC(=O)C=C(OC)C12Oc3cc(C)cc(O)c3C2=O;CPD-1907
OC1C=Cc2ccc3ccccc3c2C1O;CPD-1904
CC(C)C1CCC(C)CC1O;CPD-1905
OCC(O)C1OC(=O)C(=C1O)OP(=O)(O)O;2-PHOSPHOASCORBATE
CC1(C)C2CCC1(C)C(O)C2;CPD-1908
CC(C)C1CCC(C)CC1=O;CPD-1909
OC(=O)CCC(=O)C=O;CPD-8885
CC(=O)CC(=O)c1ccccc1;CPD-8880
Cn1c[n+](C2OC(CO)C(O)C2O)c3NC(=NC(=O)c13)N;CPD0-1041
OC1C(Oc2c(O)c(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;23-DIHYDROGOSSYPETIN
CN1C(=Nc2c(ncn2C3OC(CO)C(O)C3O)C1=O)N;CPD0-1043
OCCC(=O)O;CPD-8884
OCC1OC(C(O)C1O)C2=NN=C3C(=O)N=CN=C23;CPD0-1045
OCC1OC(O)C(O)C(O)C1O;L-GALACTOSE
OCC(O)C(O)C(O)C(O)C(=O)O;CPD-2341
CCCCCCCCOC1OC(COC2OC(C(O)CO)C(O)C2O)C(O)C(O)C1O;CPD0-1049
OC(COP(=O)(O)O)C(O)C(=O)C(O)C(=O)O;CPD-2343
OCC(O)C(O)C(=O)C(O)C(=O)O;CPD-2342
NC(CCl)C(=O)O;3-CHLORO-D-ALANINE
CC1OC(OC2=C(Oc3cc(OC4OC(C)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)cc5)C(O)C(O)C1O;CPD1F-462
CC(=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)C=CC=C(C)C=CC34OC3(C)CC(O)CC4(C)C;CPD-7196
CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)C(O)C(O)C1O;CPD1F-461
CC(C)CCCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-7193
CC(C)CCC(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-7192
CC=C(CC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-7191
CCC(CC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-7190
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS;CO-A
OCC1(O)OC(COP(=O)(O)O)C(O)C1O;FRUCTOSE-6P
COc1cc(C=CC(=O)O)cc(O)c1O;5-HYDROXY-FERULIC-ACID
OC1C=Cc2ccccc2C1O;CIS-12-DIHYDRONAPHTHALENE-12-DIOL
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O;INS356P3
CC(=O)C=CC1C(=CC(O)CC1(C)C)C;CPD-7199
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)CC(O)CC1(C)O)C=CC=O;CPD-7198
CCNc1nc(Cl)nc(NC(C)C)n1;ATRAZINE
OC(=O)CC(NC=O)C(=O)O;CPD-583
CC(=O)NCCC(=O)O;CPD-580
CC(O)C1OC(=O)C(O)C1O;L-RHAMNONO-14-LACTONE
CCCCC(=O)N;CPD-586
OC(=O)CC1NC(=O)NC1=O;CPD-587
OCC1OCC(O)C(O)C1O;15-ANHYDRO-D-GLUCITOL
CCNC(=O)CCC(N)C(=O)O;CPD-585
CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)O)c(CCC(=O)O)c2C)NC1=O;BILIRUBIN
NC1CCCCNC1=O;CPD-588
OCCC=O;HYDROXYPROPANAL
CC(C)CCCC(C)CCCC(C)CCCC(=CCC1(O)C(C)C(=O)c2ccccc2C1=O)C;3-HYDROXY-2-METHYL-3-PHYTYL-23-DIHYDRONA
CC(NC(=O)C(C)OC1C(O)C(CO)OC(O)C1NC(=O)C)C(=O)NC(CCC(=O)O)C(=O)N;ACETYLMURAMYL-ALANYL-ISOGLUTAMINE
CC(O)CSCCS(=O)(=O)O;R-OR-S-2-HYDROXYPROPYL-COM
CCN1C(=O)C=CC1=O;N-ETHYLMALEIMIDE
CC12C(CCC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O)OC6OC(CO)C(O)C(O)C6O;GIBBERELLIN-2-O-BETA-D-GLUCOSIDE
CCCCCO;PENTANOL
O=C1Oc2cc3occc3cc2C=C1;PHYTOALEXIN-CMPD
OC1CC(=O)C(=O)C(O)C1O;CPD-1133
CC(=O)N1C(=O)C(=O)c2ccccc12;N-ACETYLISATIN
ClC1C=C(Cl)C(Cl)C=C1Cl;CPD-15
CC(=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)C=CC=O;CPD-7197
CN1CCCC1C(=O)O;CPD-904
Oc1cc(O)cc(O)c1;CPD-16
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8385
OC1C(O)C(Oc2ccc(cc2)[N+](=O)[O-])OC(C1O)C(=O)O;CPD-13
COC1OC(C(O)C(O)C1O)C(=O)O;CPD-12
CC(=O)NCCCCC(N)C(=O)O;CPD-567
CCCCCCCCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8384
CC(=O)CC(O)CC(=O)O;CPD-19
NCCC(O)C(N1CCC1=O)C(=O)O;PROCLAVAMINATE
NC1=NC2=C(N=C(COP(=O)(O)OP(=O)(O)O)CN2)C(=O)N1;DIHYDROPTERIN-CH2OH-PP
NC(O)CCCC(N)C(=O)O;CPD-7689
NC(C(O)CC(=O)O)C(=O)O;CPD-7688
C1CN1;AZIRIDINE
OC1C(COC(=O)C=Cc2ccc(O)c(O)c2)OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)cc5)C(O)C1O;CPD-7383
OC(=O)C1CCCC=N1;CPD-7682
C[N+](C)(C)C;CPD-7681
CCC1(C)OC1CCC(=CCCC(=CC(=O)OC)C)C;METHYL-EPOXYTRIDECADIENOATE
CC(=O)NCCc1c[nH]c2ccc(O)cc12;N-ACETYL-SEROTONIN
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C;CPD-4185
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;CPD-4184
CC(C)CCCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4187
CC(C)CCCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C;CPD-4186
CC(C)CCCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C;CPD-4181
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)CC(O)CC1(C)O)C=CC=C(C)C=CC23OC2(C)CC(O)CC3(C)C;CPD1F-135
CC(C)CCCC(C)C1CC=C2C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;CPD-4183
CC(C)CCCC(C)C1CCC2(C)C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;CPD-4182
CC12CCCC(C)(C1C(C=O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD1F-138
CC12C(O)CCC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;CPD1F-139
OC(=O)C1CSCCN1;THIOMORPHOLINE-3-CARBOXYLATE
NC(CCC(=O)O)C(=O)N;ISOGLUTAMINE
OCC(O)C1OC(=O)C(O)C1O;L-GULONO-1-4-LACTONE
CSCCCC=NO;3-METHYLTHIOPROPANALDOXIME
NC(CS)C(=O)O;D-CYSTEINE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OCC4OCC(O)C4O)C(O)C3O;NAD-STEM-GROUP
CC12CCC(=O)C=C1CCC3C4CCC(C(=O)CO)C4(CO)CC(O)C23;18-HYDROXYCORTICOSTERONE
OC(=O)C1CCCCN1;L-PIPECOLATE
NC(Cc1ccc(O)cc1)C(=O)NC(CCCNC(=N)N)C(=O)O;CPD-210
OC(=O)c1ccc(O)cc1NC(=O)c2ccccc2;N-BENZOYL-4-HYDROXYANTHRANILATE
CCC(C(O)C(=O)O)C(=O)O;CPD-1130
OCC1OC(C(O)C(O)C1O)c2c(O)cc3OC(=CC(=O)c3c2O)c4ccc(O)cc4;ISOVITEXIN
ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl;DICHLOROBIS-CPD
OC(=O)CC(NC(=O)CC1(O)C(=O)Nc2ccccc12)C(=O)O;3-HYDROXY-2-OXINDOLE-3-ACETYL-ASP
OC1C(O)C(OC1COP(=O)(O)O)n2cnc3C(=O)NC=Nc23;IMP
OC(=O)C(=C(O)C(=O)O)O;CPD-640
CC(=O)CO;ACETOL
O=CC1C(=O)Cc2ccccc12;1F2INDANONE
CC(NCC(=O)O)C(=O)O;CPD-312
CC1OC(OC2=C(Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)cc5)C(O)C(O)C1O;CPD-8012
CC(C)(C)C(O)C(CCCOc1ccccc1)n2cncn2;CPD-4024
OP(=O)(O)Oc1ccccc1;PHENOL-PHOSPHATE
CC12CCCC(C)(C1CCC34CC(CCC23)C(=C)C4)C(=O)O;CPD1F-132
CCCCCCCCCCCCCCCCCC=O;CPD-55
CCN(CC)CCOc1ccc(cc1)C(O)(Cc2ccc(Cl)cc2)c3ccc(C)cc3;CPD-4522
COC1CC(OC2C(C)C(OC3OC(C)CC(C3OP(=O)(O)O)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O;OLEANDOMYCIN-2-O-PHOSPHATE
CC1=CC(=O)OC1CC(=O)O;4-CARBOXYMETHYL-3-METHYLBUT-2-EN-14-OLI
CC12CCC(=O)CC1CCC3C2CCC4(C)C3CCC4=O;CPD-342
OCC(=O)C(O)CC(=O)C(=O)O;CPD-343
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;CPD-7535
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(=O)C12C;CPD-345
CC(O)C(C)O;CPD-346
OCCCO;CPD-347
CCCCCCCCCCCCCCCCO;CPD-348
OC(=O)CCCCCCS;CPD-349
COc1cc2CCNC(Cc3ccc(O)cc3)c2cc1O;R-COCLAURINE
CC(C)OP(=O)(O)OC(C)C;DIISOPROPYL-PHOSPHATE
CC1(O)CCC2C(CCC3=CC(=O)CCC23C)C1CCC(=O)O;TESTOLATE
[O-][N+](=O)c1cccc(C=O)c1;3-NITROBENZALDEHYDE
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)O;PRISTANATE
OCC1OC(S)C(O)C(O)C1O;CPD-3742
NC1=Nc2ncc(nc2C(=O)N1)C(=C(S)C(O)COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5C(=O)NC(=Nc45)N)S;CPD-582
NC(CSCSCC(N)C(=O)O)C(=O)O;CPD-3740
NC(=N)S;CPD-3741
OC(=O)CCC(=O)O;SUC
O=S1(=O)CCCC1;CPD-3747
Nc1ccc(Cl)c(Cl)c1;34-DICHLOROANILINE
CC(=O)NC(CSC=O)C(=O)NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;CPD1G-121
CN1C2CCC1CC(O)C2;PSEUDOTROPINE
COc1cc(C=O)ccc1O;VANILLIN
OCC1OC(OC2C(O)C(O)C(CO)OC2OC3C(O)C(O)C(CO)OC3OC4=C(Oc5cc(O)cc(O)c5C4=O)c6ccc(O)cc6)C(O)C(O)C1O;CPD-8068
CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O;CPD-8546
OC(=O)CC(=O)C=CC(=O)O;OXOHEX-2-ENEDIOATE
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC;CPD-8260
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)CO)OC(=O)CC=CCCCCCCCCCCCC;CPD-8261
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC;CPD-8262
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)CO)OC(=O)CC=CCCCCCCCCCCCC;CPD-8263
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)O;CPD-8264
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8265
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCC=CCC=CCC=CCC;CPD-8266
CC1=C(C=C)C(=O)NC1CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(=C4C=C)C)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O;1516-DIHYDROBILIVERDIN
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8268
NC(CCCCNC(=O)N)C(=O)O;CPD-161
OC(=O)CC(C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O)C(=O)O;CPD-162
OC1C(O)C(O)C(OC(=O)Cc2c[nH]c3ccccc23)C(O)C1O;CPD-165
COc1cc(C=CC=O)cc(O)c1O;5-HYDROXY-CONIFERALDEHYDE
OCC1OC(OC2OC(COP(=O)(O)O)C(O)C(O)C2O)C(O)C(O)C1O;TREHALOSE-6P
CN(C)c1ccc(cc1)N=[N+]([O-])c2ccccc2;4-DIMETHYLAMINOPHENYLAZOXYBENZENE
NC(Cc1c[nH]c2ccccc12)C(=O)N;CPD-584
NC(CCC(=O)NC1CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(=O)O;TRYPANOTHIONE-DISULFIDE
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-505
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(=O)N1;GDP-GALACTOSE
CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(COC(=O)C)C(O)C(O)C1OC2OC(COC(=O)C)C(O)C(O)C2O;DIGLUCODIACETYL-DOCOSANOATE
ClC=C;VINYL-CHLORIDE
CC1=C(C=O)C(C)(C)CC(C1)OC2OC(CO)C(O)C(O)C2O;CPD-8668
CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)CO;DIHYDROSTREPTOMYCIN-6-PHOSPHATE
OCC1OC(O)C(OC2OC(CO)C(O)C(O)C2OC3OC(CO)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)C1O;MANNOSYL-ETCETERA-D-MANNOSE
CC(O)C(O)C1CNC2=C(N1)C(=O)NC(=N2)N;TETRA-H-BIOPTERIN
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C=CC=C(C)C(=O)O;CPD-8664
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OC)c4O;S-SCOULERINE
CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=O)C)C=O;CPD-8660
CC(=O)C(=O)C;DIACETYL
CC(=CC=CC=C(C)C=CC=C(C)C(=O)O)C=CC=C(C)C(=O)O;CPD-8662
COC1OC(C(OC2OC(CO)C(O)C(O)C2NC(=O)C)C(O)C1O)C(=O)O;HYALURONATE
OCCCC(=NOS(=O)(=O)O)SC1OC(O)C(O)C(O)C1CO;3-HYDROXYPROPYL-GLUCOSINOLATE
CCCC=CC(OO)C=CC=CCCCCCCCC(=O)O;CPD-59
Nc1ccccc1S(=O)(=O)O;2-AMINOBENZENESULFONATE
NC1=NC2=C(NC(CNc3ccc(cc3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC=O)C(=O)O)C(=O)O)C(=O)O)CN2)C(=O)N1;CPD-1301
CN1C(CNc2ccc(cc2)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC=O)C(=O)O)C(=O)O)C(=O)O)CNC3=C1C(=O)NC(=N3)N;CPD-1302
OCCc1c[nH]c2ccccc12;CPD-341
ClCC(Cl)Cl;112-TRICHLOROETHANE
OCC(OC1OC(CO)C(O)C(O)C1O)C(=O)O;2-O-ALPHA-MANNOSYL-D-GLYCERATE
CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;GLYCOCHOLIC_ACID
CCC(=C(C)C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4142
Oc1c2OC(=O)C=Cc2cc3ccoc13;XANTHOTOXOL
OCC1OC(OC(=O)C=Cc2ccccc2)C(O)C(O)C1O;TRANS-CINNAMOYL-BETA-D-GLUCOSE
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;MANNOSE-6P
CC(CN)C(=O)O;CPD-466
CCCCCCCCCCCCCCCC(=O)C;CPD-7894
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;D-MYO-INOSITOL-4-PHOSPHATE
CCC(C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-4162
COC1=CC(=O)C(=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O)C;OCTAPRENYL-METHYL-METHOXY-BENZQ
CC1=CC=CC(O)C1(O)C(=O)O;12-DIHYDROXY-6-METHYLCYCLOHEXA-35-DIEN
NC(CCCCNC(CCC(=O)O)C(=O)O)C(=O)O;SACCHAROPINE
CC(C)CCCC(C)CCCC(C)CCCC(=CCC12OC1(C)C(=O)c3ccccc3C2=O)C;23-EPOXY-23-DIHYDRO-2-METHYL-14-NAPHTHOQ
OC(=O)CC(NC(=O)CC1C(=O)Nc2ccccc12)C(=O)O;2-OXINDOLE-3-ACETYL-ASP
OC(=O)C=CC(=CC(=O)O)O;3-HYDROXY-CISCIS-MUCONATE
Oc1ccc(O)cc1;HYDROQUINONE
CC(=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)C=CC=C(C)C=CC34OC3(C)CC(O)CC4(C)C;CPD1F-133
CCCC(O)CC(=O)OCC;ETHYL-S-3-HYDROXYHEXANOATE
OC(=O)CC1C(=O)Nc2c(O)cccc12;7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID
NC1=C(Cl)C(=O)N(N=C1)c2cccc(O)c2O;5-AMINO-4-CHLORO-2-23-DIHYDROXYPHENYL
COc1cc2CCNC(Cc3ccc(O)c(O)c3)c2cc1O;6-O-METHYLNORLAUDANOSOLINE
OC(COP(=O)(O)O)C(O)C(O)CC(=O)C(=O)O;3-DEOXY-D-ARABINO-HEPTULOSONATE-7-P
OC1CC(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O;DUTP
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(=O)N1;GDP-D-GLUCOSE
Oc1ccc(C(=O)C=Cc2ccc(O)c(O)c2)c(O)c1;BUTEIN
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCc4cc(O)c(O)cc34;DEACETYLIPECOSIDE
COC(=O)c1cc(O)cc(OC)c1C(=O)c2c(O)cc(C)cc2O;SULOCHRIN
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8319
OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)cc5)C(O)C(O)C1O;CPD-7843
OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)C(O)C(O)C1O;CPD-7842
CCCCCCCCCCCCCCCCCCCCCCO;CPD-7845
OCC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc4c(O)cc(O)cc4[o+]c3c5cc(O)c(O)c(O)c5)C(O)C(O)C1O;CPD-7844
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)C(O)CC2(C)C;CPD-7847
C[N+]12CCc3cc4OCOc4cc3C1Cc5ccc6OCOc6c5C2;CPD-7846
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C;CPD-7849
COc1cc2c3c(OC)cc4OCOc4c3c[n+](C)c2c5cc6OCOc6cc15;CPD-7848
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCC;CPD-8312
COc1cc(O)c2C(=O)C(=COc2c1)c3ccc(O)cc3;CPD-3521
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8314
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8315
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8316
OCC1OC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O;1-O-GALLOYL-BETA-D-GLUCOSE
CC(C)CC(=O)O;ISOVALERATE
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC[N+](C)(C)C;CPD-8089
OCc1ccccc1;BENZYL-ALCOHOL
CC(CCC(=O)O)C1CCC2C3C(CC(O)C12C)C4(C)CCC(O)CC4CC3=O;CHOLANATE2
OCC(=O)C(O)C(=O)O;3-KETOTHREONATE
OC1C(O)C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OC(C1O)C(=O)O;UDP-GLUCURONATE
OP(=O)(O)OCC(=O)CCl;CHLOROACETOL-PHOSPHATE
CCCO;PROPANOL
CCCCCc1cc(O)cc(O)c1C(=O)O;CPD-7165
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO;CPD-8086
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO;CPD-8087
OCC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C(O)C1O;UDP-GALACTOSE
CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)C(=O)O;2-OXYPHYTANATE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)C(=O)N1;GUANOSINE_PENTAPHOSPHATE
OC(Cc1ccccc1)C(=O)O;CPD-7999
OCC1CC(Nc2ccc(cc2)[N+](=O)[O-])C(O)C(=O)C1O;4-NITROPHENYL-3-KETOVALIDAMINE
CN1C2CCC1CC(C2)OC(=O)C(O)Cc3ccccc3;CPD-7996
CN1CCCC1CC(=O)C;CPD-7995
C[N+]1=CCCC1;CPD-7994
CNCCCC=O;CPD-7993
NCCCCCCN;CPD-7992
COC1C(O)C(O)C(O)C(O)C1O;4-METHYL-MYO-INOSITOL
OCC(=O)O;GLYCOLLATE
CC(C)C1CCC2(C)C3CCC(=C)C2C13;CPD-8740
OC(=O)C=C1OC(=O)C(=C1)Cl;TRANS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-E
CC(=O)OCCC#Cc1ccc(s1)c2cccs2;5-4-ACETOXYBUT-1-YNYL-2-2-BITHIOPHENE
OS(=O)(=O)SSS(=O)(=O)O;CPD-14
NC1=NC(=C(N)C(=O)N1)NC2OC(COP(=O)(O)O)C(O)C2O;DIAMINO-OH-PHOSPHORIBOSYLAMINO-PYR
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)C(O)CC1O;CDP-ABEQUOSE
NC(CCC(=O)NC(CSC=O)C(=O)NCC(=O)O)C(=O)O;CPD-548
OC1CC(=CC(=O)C1)O;CPD-17
NC(=O)NCNC(=O)N;METHYLENEDIUREA
C[N+](=NCOC1OC(CO)C(O)C(O)C1O)[O-];CYCASIN
CCCCS(=O)(=O)O;CPD-3744
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(CO)C4CC3;CPD-4579
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8296
C[S+](C)CCC(=O)O;SS-DIMETHYL-BETA-PROPIOTHETIN
CC(CCC=C(C)C)C1CC(O)C2(C=O)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-4574
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(CO)C4CC3;CPD-4575
CC(CCCC(C)(C)O)C1CCC2C(=CC=C3CC(O)CC(O)C3=C)CCCC12C;CALCITRIOL
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C4CC3)C(=O)O;CPD-4577
COc1ccc(C2COc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c(OC)c1;CPD-4570
OC(=O)C1CCC(=O)N1;5-OXOPROLINE
CC(=O)CSCCS(=O)(=O)O;2-OXOPROPYL-COM
CC(CCC=C(C)C)C1CCC2(C=O)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-4573
CC(=CC=CC(=CC=CC=C(C)C=CC=O)C)C=O;CPD-7207
CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C=O;CPD-7206
NCCCCC(N)C(=O)O;CPD-219
CC(=O)C=CC1=C(C)CCCC1(C)C;CPD-7204
CC(=O)C=CC12OC1(C)CC(O)CC2(C)C;CPD-7203
CC(=CC=CC=C(C)C=CC=O)C=CC=O;CPD-7202
CC(=O)C=C=C1C(C)(C)CC(O)CC1(C)O;CPD-7201
CC(=O)C=CC1=C(C)CC(O)CC1(C)C;CPD-7200
CCCCCCCCCCCCCCCCCCCCCCCCC=CCC(=O)C;CPD-8493
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OC2OCC(=O)C(O)C2O)N3C=CC(=O)NC3=O;5-BETA-L-THREO-PENTAPYRANOSYL-4-ULOSE-
OCC(=O)C(O)C(O)COP(=O)(O)O;L-RIBULOSE-5-P
CCC=CCC=CCCCC=CC=CC=CCCCC(=O)O;5Z7E9E14Z17Z-EICOSAPENTAENOATE
OC(=O)CCCCCC1NC(=O)CS1;CPD-5683
OC(CC(=O)O)C=O;CPD-5682
OC(=O)c1cnccn1;PYRAZINE-2-CARBOXYLATE
CNCC(O)c1ccc(O)c(O)c1;L-EPINEPHRINE
NC(CCC(O)C(N)C(=O)O)C(=O)O;CPD-7690
CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2;CPD1A0-6112
NC(CCCNC(=N)NP(=O)(O)O)C(=O)O;L-ARGININE-P
c1ccc2[nH]cnc2c1;BENZIMIDAZOLE
CC1(C)Oc2ccc3C4COc5cc(O)ccc5C4Oc3c2C=C1;CPD-4884
CC(=CCc1c(O)ccc2C3COc4cc(O)ccc4C3Oc12)C;CPD-4885
CC(=C)C1CCC(=CC1)C;CPD-4886
CC1=CCC(CC1)C(C)(C)O;CPD-4887
Oc1ccccc1c2ccccc2S(=O)O;CPD-945
NC1=CC2=Nc3ccccc3OC2=CC1=O;ISOPHENOXAZINE
CCNc1nc(O)nc(NC(C)C)n1;HYDROXYATRAZINE
CC(=CCCC(=C)C=C)C;CPD-4888
CC(=CCC=C(C)C=C)C;CPD-4889
OCC(O)C(O)CC(=O)C(=O)O;2-DEHYDRO-3-DEOXY-D-GLUCONATE
O=S1(=O)c2ccccc2c3ccccc13;CPD-944
OC(=O)CC(=O)CC(=O)CC(=O)C=Cc1ccc(O)cc1;CPD-6954
OC1=CC(=O)OC(=C1)CC(=O)C=Cc2ccc(O)cc2;CPD-6955
COc1ccc(CC=C)cc1;CPD-6484
CC(=O)C(O)CO;CPD-6485
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CC=C1C;CPD-6950
CC(C)(O)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12;CPD-6951
[Cl-][N+];NH4CL
COc1cc(CC=C)ccc1O;CPD-6481
NC(=O)CC(=O)C(=O)O;2-OXOSUCCINAMATE
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC;S-TETRAHYDROBERBERINE
NC(=NCCCC(NC(=O)c1ccccc1)C(=O)O)N;BENZOYL-L-ARGININE
CNC1C(OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O)OC(CO)C(O)C1OP(=O)(O)O;CPD-512
OC(=O)C=C[N+](=O)[O-];3-NITROACRYLATE
ON=CCc1ccc(O)cc1;CPD-4401
Oc1ccc2C3Oc4cc(O)ccc4C3COc2c1;CPD-4402
CC(=CCc1c(O)ccc2C3Oc4cc(O)ccc4C3(O)COc12)C;CPD-4403
CC(=CCc1cc2C3Oc4cc(O)ccc4C3(O)COc2cc1O)C;CPD-4404
CC1(C)Oc2ccc3C4Oc5cc(O)ccc5C4(O)COc3c2C=C1;CPD-4405
COc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1;VESTITONE
CC(=C)C1Cc2cc3C4Oc5cc(O)ccc5C4(O)COc3cc2O1;CPD-4407
ON=CCc1c[nH]c2ccccc12;INDOLE-3-ACETALDOXIME
NCc1ccccc1;BENZYLAMINE
c1ccc(nc1)c2ccccn2;CPD-8819
CCCCS(=N)(=O)CCC(N)C(=O)O;BUTHIONINE-SULFOXIMINE
ON=CCc1ccccc1;PHENYLACETALDOXIME
CCCCCCCCCCCCOS(=O)(=O)O;CPD-8876
O=C1NC(=O)C=C1;MALEIMIDE
OS(=O)(=O)c1ccc(cc1)c2ccnc3c2ccc4c(ccnc34)c5cccc(c5)S(=O)(=O)O;CPD-8818
CC1OC(O)C(O)C(O)C1O;L-FUCOSE
OCC1OC(=O)C(O)C1O;L-XYLONO-14-LACTONE
ClC=CCl;DICHLOROETHENE
CCCCCC=CCC=CCC=CC=CC(CCCC(=O)O)OO;6E8Z11Z14Z-5S-5-HYDROPEROXYCOSA-6
CC1(C)C2CCC(=C)C1C2;CPD-8755
NC(CCOP(=O)(O)O)C(=O)O;O-PHOSPHO-L-HOMOSERINE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-6743
CC1(CCCC2(C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD1F-86
CC(C)C(N)C(=O)O;VAL
CC1(CCCC2(C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD1F-84
OC(C(CCC(=O)O)C(=O)O)C(=O)O;CPD-151
CC(=O)C(N)C(=O)O;AMINO-OXOBUT
CNCC(O)c1ccccc1;N-METHYLPHENYLETHANOLAMINE
OC(=O)CCCCC=O;6-OXO-HEXANOATE
OC(=O)CC(C(=O)O)C(=O)C(=O)O;OXALO-SUCCINATE
OCC(O)(COP(=O)(O)O)CC(=O)C(=O)O;CPD-7635
Cc1ncc(COP(=O)(O)O)c(N)n1;AMINO-HYDROXYMETHYL-METHYL-PYR-P
CC1CCC2CC3=C(C)CCC13C2(C)C;CPD-8812
CN(C)c1ccc(cc1)N=Nc2ccccc2;4-DIMETHYLAMINOPHENYLAZOBENZENE
CC1CCC2C1CC3CCC2(C)C=C3C;CPD-8811
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O;CPD-7057
OC(=O)c1ccnc(c1)C(=O)O;CPD-7050
CN1CCN(CCCN2c3ccccc3Sc4ccc(cc24)C(F)(F)F)CC1;CPD-7051
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS;CPD-511
OCC(O)C(O)C(O)C(=O)CO;SORBOSE
CC12CCC3C(CCC4CC(O)CCC34C)C1CC(O)C2;16-BETA-HYDROXYSTEROID
CC1OC(OCC2OC(Oc3cc(O)c4C(=O)CC(Oc4c3)c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O;CPD-7059
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7824
OS(=O)(=O)NC1CCCCC1;CPD-1124
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-3843
CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O;17-BETA-HYDROXY-5ALPHA-ANDROSTAN-3-O
OS(=O)(=O)O;H2SO4
NC1=NC(=O)N(C=C1)C2OC3COP(=O)(O)OC3C2O;CPD-683
OC1CCNC1C(=O)O;3-HYDROXY-L-PROLINE
OC1C(O)C(OC1COP(=O)(O)O)n2cnc3c(NC(CC(=O)O)C(=O)O)ncnc23;ADENYLOSUCC
OC(COP(O)(O)O)C(O)C(O)CC=O;2-DEOXYGLUCOSE-6-PHOSPHATE
NC(CCC(=O)NC(CSC(=O)CCC(=O)O)C(=O)NCC(=O)O)C(=O)O;CPD-549
OC(=O)C(=O)Cc1c[nH]cn1;IMIDAZOLE-PYRUVATE
NC(Cc1ccc(O)c(O)c1)C(=O)O;L-DIHYDROXY-PHENYLALANINE
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8338
CCC=CCCO;CIS-3-HEXENOL
OC(=O)C1=CC(=O)NC(=O)N1;OROTATE
CCSCCC(N)C(=O)O;ETHIONINE
OCC(=O)COP(=O)(O)O;DIHYDROXY-ACETONE-PHOSPHATE
NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C(=O)N1;DGTP
CCCCCC(=O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O;HYDROXY-915-DIOXOPROSTA-13-ENOATE
Cc1ccc2[nH]cc(CC(N)C(=O)O)c2c1;5-METHYL-DL-TRYPTOPHAN
NC(=O)OP(=O)(O)O;CARBAMOYL-P
COc1cc(C=CC(=O)O)cc(OC)c1OC(=O)C(O)CC(=O)O;SINAPOYL-S-MALATE
CCCCCC(O)C=CC1C=CC(=O)C1CCCCCCC(=O)O;CPD-1911
NCCC(=O)N;CPD-8981
CCCCCC(O)C=CC=CCC=CCC=CCCCC(=O)O;CPD-1913
OP(=O)(O)OP(=O)(O)O;PYROPHOSPHATE-GROUP
CC(=O)NC(CCCC(=O)O)C(=O)O;N2-ACETYL-ALPHA-AMIN
CC=C;PROPENE
CC(O)C(=O)O;D-LACTATE
NC(=O)CCCNC(=N)N;4-GUANIDO-BUTYRAMIDE
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)O)C(O)C2O;CMP
CCCCCC=CCC=CC=CC=CC1OC1CCCC(=O)O;CPD-8892
OC(C(O)C(=O)O)C(=O)O;D-TARTRATE
OC1C(COC(=O)CC(=O)O)OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)C(O)C1O;APIGENIN-7-O-6-MALONYL-BETA-D-GLUCOSI
Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl;CPD0-1031
CC(C)C1=CC=C(C)CCC=C(C)CC1;CPD-8745
CCCCCC(=O)CCC1C(O)CC(=O)C1CC=CCCCC(=O)O;ALPHA-HYDROXY-915-DIOXOPROSTANOATE
NCCCC(N)CC(=O)O;CPD0-1032
NC(CCC(=O)NC(CSC(=O)C(O)c1ccccc1)C(=O)NCC(=O)O)C(=O)O;CPD-8872
CC12C(O)CCC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD1F-137
COc1ccc2C3COc4cc(O)ccc4C3Oc2c1;CPD-3402
OC1CC(=O)c2c(O)cc(O)cc2C1;CPD-56
[O-][N+](=O)c1ccccc1;BENZENE-NO2
OC(=O)CC(NC=N)C(=O)O;CPD-1126
O=S1CCCC1;TETRAHYDROTHIOPHENE-1-OXIDE
COc1cc(C=CC(=O)O)cc(OC)c1OC(=O)C(O)C(O)C(O)C(O)C(=O)O;O-SINAPOYLGLUCARATE
OCC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)cc4)C(O)C(O)C1O;CPD1F-453
CCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7829
OC(=O)C(=O)Cc1cc(c(O)c(c1)[N+](=O)O)[N+](=O)O;DINITRO-4-HYDROXYPHENYLPYRUVATE
OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;CPD-6747
OCC1OC(C(O)C1O)n2cnc3CC(=O)NC=Nc23;8-OXOCOFORMYCIN
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C;4-ALPHA-METHYL-5-ALPHA
CC(=O)NC=C(C(CO)C(=O)O)C(=O)O;2-ACETAMIDDOMETHYLENE-ETCETERA-SUCCINATE
CC(C)CCCC(C)CCCC(C)CCCC(=CCc1cc(O)cc(C)c1O)C;MPBQ
Cn1cnc2NC(=O)NC(=O)c12;7-METHYLXANTHINE
CNC(=O)CCC(=O)C(=O)O;CPD-579
NC(=O)NC(=O)O;CPD-578
OC(=O)C1CCCCC1;CPD-575
NC(=O)CCCCC1SCC2NC(=O)NC12;CPD-574
C[N+](C)(C)CC(O)CC(=O)N;CPD-573
CC(=NO)C;ACETONE-OXIME
Nc1ncnc2c1ncn2CC(O)CO;S-9-23-DIHYDROXYPROPYL-ADENI
CC12CCC(CC1)C(C)(C)O2;CPD-4261
OCC1OC(=O)C(O)C1O;D-XYLONO-14-LACTONE
OC(=O)c1ccccc1NC=O;N-FORMYLANTHRANILATE
OC(=O)c1cc2cc(O)c(O)cc2[nH]1;56-DIHYDROXYINDOLE-2-CARBOXYLATE
CC(=O)NC1C(O)C(O)C(OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(=O)O;UDP-N-ACETYL-2-AMINO-D-GLUCURONATE
NCCCNCCCC=O;CPD-6121
CC(N)C(=O)NC(C)C(=O)O;D-ALA-D-ALA
NCCC[N+]1=CCCC1;CPD-6123
C1CNC2CCCN2C1;CPD-6122
C1CC=NC1;CPD-6124
CC(C)C12CC(O)C(=C)C1C2;-CIS-SABINOL
NC1CONC1=O;CPD-2482
NC1CONC1=O;CPD-2483
CC(N)(Cc1ccc(O)cc1)C(=O)O;ALPHA-METHYL-TYROSINE
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8342
OCC(O)C(=O)C(O)C(O)COP(=O)(O)O;CPD-26
OP(=O)O;CPD-27
CN1C(=O)C=CC1=O;CPD-28
COc1cc2OC3OC=CC3c2c4OC(=O)C5=C(CCC5=O)c14;CPD-4592
OP(=O)O;X-PHOSPHATE-GROUP
NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2;DCDP
Oc1cccc2Oc3cc4OC5OC=CC5c4c(O)c3C(=O)c12;CPD-4590
OC1C(O)C(NC(=N)CNC=O)OC1COP(=O)(O)O;5-PHOSPHORIBOSYL-N-FORMYLGLYCINEAMIDINE
ClCCCl;12-DICHLOROETHANE
CC12CCC(=O)CC1CCC3C2CCC4(C)C3CCC4=O;5-BETA-ANDROSTANE-317-DIONE
OCC(O)C(O)C(O)C(O)CO;MANNITOL
OC(=O)C1CC=CC(=N1)C(=O)O;2,3-dihydrodipicolinate
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C;CPD-719
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(=O)CCC4(C)C3CCC12C;CPD-718
OC(=O)C(=O)CBr;3-BROMOPYRUVATE
CC12CCCC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;CPD1F-140
OC(=O)CCCCCC(=O)O;CPD-205
CC(C)C(C)CCC(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C;CPD-713
CC(CC(=O)O)C(=O)O;CPD-2461
CC(C)C(C)CCC(C)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C;CPD-711
C[n+]1cccc(c1)C(=O)O;METHYLNICOTINATE
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-717
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C;CPD-716
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-715
CC(C)C(C)CC(O)C(C)C1CCC2C3CC(=O)C4CC(O)CCC4(C)C3CCC12C;CPD-714
NCC(=O)O;GLY
CC1OC(OP(=O)(O)O)C(O)C(O)C1O;CPD-488
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(O)C(=C(C)C1O)C)C)C)C)C)C)C)C)C)C;PLASTOQUINOL-1
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C;CPD-5205
CC(=O)OC(C)(C)CCC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C;CPD-5204
CCCCCCCCCCCCCC=CC(O)C(N)COP(=O)(O)OCC[N+](C)(C)C;CPD-481
CC(=CCCC(C)(O)C=C)CO;E-37-DIMETHYLOCTA-16-DIEN-38-DIOL
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(CO)C(=O)CC12C;CPD-5201
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)Nc4ccccc4C(=O)O)C(O)C3O;CPD-486
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C;CPD-5203
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC12C;CPD-5202
OCC1OC(OC2C(O)C(O)C(O)C(OC(=O)Cc3c[nH]c4ccccc34)C2O)C(O)C(O)C1O;5-O-INDOL-3-YLACETYL-MYO-ETCETERA
CC12C(O)C(O)CC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;CPD-204
CC(CCC(O)C(CO)CO)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;5-BETA-SCYMNOL
CC(=O)c1ccc(O)cc1;CPD-7232
OC1OC(COS(=O)(=O)O)C(O)C(O)C1NS(=O)(=O)O;CPD-1122
COc1ccc2cc3c4cc(OC)c(OC)cc4CC[n+]3cc2c1OC;PALMATINE
OC(=O)CC(=CC=C(O)C(=O)O)C(=O)O;CPD-784
OCC1OC(OC(C#N)c2ccc(O)cc2)C(O)C(O)C1O;CPD-1042
ON=CCc1ccc(O)cc1;CPD-1041
CCC12CC(=C3Nc4cc(O)ccc4C35CCN(CC=C1)C25)C(=O)OC;16-HYDROXYTABERSONINE
COc1ccc2cc3c4cc5OCOc5cc4CC[n+]3cc2c1OC;BERBERINE
OCC1OC(OC2C(O)C(O)C(=O)OC2CO)C(O)C(O)C1O;CPD-379
CCCI;CPD-2061
NC(=O)NC(=O)N;CPD-809
CCNc1nc(N)nc(O)n1;CPD-808
CCNc1nc(O)nc(O)n1;CPD-807
CCNc1nc(N)nc(O)n1;CPD-806
CCNc1nc(N)nc(Cl)n1;CPD-805
OC(CCC(=O)O)CC(=O)C(=O)O;CPD-804
CCCCCCCC=O;CPD-371
CCCCCCCCCC(O)CCCCCCCCCCCC(=O)O;CPD-802
CC(C)Nc1nc(N)nc(Cl)n1;CPD-801
OCC(O)C(O)C(O)COP(=O)(O)O;CPD-372
CCCCCCCCC=CCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8075
CCCCCCCCCCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8074
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCCCCC;CPD-8077
CCCCCCCCC=CCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8076
COC1C(O)C(O)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O;CPD-8071
OC(=O)CCC(O)(CC(=O)O)C(=O)O;CPD-150
CCCCCCCCCCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8073
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3C(=O)NC(=O)Nc23;XTP
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC;CPD-8079
CCCCCC=CCC=CCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8078
OC(C(C(=O)O)C(=O)C(=O)O)C(=O)O;CPD-628
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8273
CON=CC(C)C;2-METHYLPROPANAL-O-METHYLOXIME
CC(C)C1CCC(C)CC1O;--MENTHOL
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8270
CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8277
CNC(Cc1c[nH]c2ccccc12)C(=O)O;CPD-392
Oc1ccc(cc1O)[N+](=O)[O-];CPD-158
NCC(O)c1ccccc1;PHENYLETHANOLAMINE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O;INOSITOL-1-3-4-TRIPHOSPHATE
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8279
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8278
CC1=CN(C2CC(O)C(COP(=O)(O)O)O2)C(=O)N=C1N;CPD-399
OP(=O)(O)O;PHOSPHATE-GROUP
OC(=O)CN(CCOCCOCCN(CC(=O)O)CC(=O)O)CC(=O)O;EGTA
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)CC(O)CC1(C)O)CO;CPD1F-4
OC1C(O)C(COC(=O)c2cc(O)c(O)c(O)c2)OC(OC(=O)c3cc(O)c(O)c(O)c3)C1O;1-O6-O-DIGALLOYL-BETA-D-GLUCOSE
O=C1NC=CC(=O)N1;URACIL
NCCCP(=O)(O)O;CPD0-1077
C1=Cc2cc3ccc(cc4ccc(cc5C=Cc(cc1n2)[nH]5)n4)[nH]3;PORPHYRIN-RING
ON=CCc1ccc(O)cc1;CPD-2205
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)C(=O)CCC4(C)C3CCC12C;4-ALPHA-METHYL-5-ALPHA-CHOLEST-7-EN-3-ON
O=C1Oc2ccccc2C=C1;COUMARIN
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)C(=O)N1;GUANOSINE_TETRAPHOSPHATE
O=C1CCCC1;CYCLOPENTANONE
CCCCCC=CC=COC=CCCCCCCC(=O)O;CPD-8679
CCC=CCC=CC=CC(CCCCCCCC(=O)O)OO;CPD-8678
CCCCCC=CC=CC(CCCCCCCC(=O)O)OO;CPD-8677
CC(C)C1=CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)O;CPD-8708
OCC1OC(O)C(OC(=O)C=Cc2ccc(O)cc2)C(O)C1O;CPD-8674
COc1cc(C=CC(=O)OC2C(O)OC(CO)C(O)C2O)ccc1O;CPD-8673
OC(=O)C(CC1=CC(=O)C(=O)C=C1)[N+]=CC=C2CC(NC(=C2)C(=O)O)C(=O)O;CPD-8672
OC(=O)C(Cc1ccc(O)c(O)c1)[N+]=CC=C2CC(NC(=C2)C(=O)O)C(=O)O;CPD-8671
OC(=O)C(Cc1ccc(O)cc1)[N+]=CC=C2CC(NC(=C2)C(=O)O)C(=O)O;CPD-8670
CC(NC(=O)N)C(=O)O;2-UREIDO-PROPIONATE
OCC1OC(O)C(O)C1O;CPD-6001
Oc1ccc2ccccc2c1O;NAPHTHALENE-12-DIOL
NCCc1ccc(O)c(OS(=O)(=O)O)c1;CPD-7649
CCC(O)C(=O)CC;CPD-1132
NC(CC(=O)c1cccc2OC3=CC(=O)c4nc(cc(O)c4C3=Nc12)C(=O)O)C(=O)O;XANTHOMMATIN
OS(=O)(=O)Oc1ccc(CC(=O)Nc2ncc(nc2Cc3ccccc3)c4ccc(OS(=O)(=O)O)cc4)cc1;OXIDIZED-WATASEMIA-LUCIFERIN
CCCCCCCCCCCCCCCCC;HEPTADECANE-CPD
O=C1CCNC(=O)N1;DI-H-URACIL
Cc1ncc(COP(=O)(O)OP(=O)(O)O)c(N)n1;AMINO-HYDROXYMETHYL-METHYLPYRIMIDINE-PP
Oc1ccc2nc(sc2c1)C3=NC(=O)CS3;OXIDIZED-PHOTINUS-LUCIFERIN
NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N)C(O)C2N)C1O;CPD-200
OC1C=CC(=O)C=C1;BENZOSEMIQUINONE
CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C;CPD-7236
Cc1ncsc1CCO;THZ
CCCCCCC(N)C(=O)O;CPD-3687
CCC(N)C(=O)O;CPD-3686
NC1=Nc2c(nc(O)n2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3)C(=O)N1;8-HYDROXYDEOXYGUANOSINE-5-TRIPHOSPHAT
O=C1NC(=O)C(=O)C(=O)N1;CPD-3684
NC1C(O)OC(CO)C(O)C1O;CPD-3683
CO;METOH
CC(=CCCC=CCOP(=O)(O)OP(=O)(O)O)C;POLYPRENYL-PPI
NC(CC(=O)c1cccc(O)c1N)C(=O)O;3-HYDROXY-L-KYNURENINE
Oc1c(Cl)cc(Cl)cc1Cl;TRICHLOROPHENOL
OC(=O)CCC(C(CCC(=O)O)C(=O)O)C(=O)O;CPD-7642
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1N;TDP-D-FUCOSAMINE
Oc1cc2cc[nH]c2cc1O;DIHYDROXYINDOLE
CC(C)C1=CCC2C(=C1)CCC3C(C)(CCCC23C)C(O)O;CPD-8706
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1O;CPD-344
Nc1ccc(cc1)C(=O)NC(CCC(=O)O)C(=O)O;CPD0-889
c1ccc2ccccc2c1;NAPHTHALENE
CC(CCC(=O)NCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C;GLYCODEOXYCHOLIC_ACID
Oc1ccccn1;2-HYDROXYPYRIDINE
OCC1OC(OC2(CO)OC(COC3(CO)OC(CO)C(O)C3O)C(O)C2O)C(O)C(O)C1O;6-KESTOSE
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O;ALPHA-MALTOSE
CC1=C(N2C(SC1)C(NC(=O)CCCC([N+])C(=O)O)C2=O)C(=O)O;DEACETOXYCEPHALOSPORIN-C
CC(C)CCCC(C)CCCC(C)CCCC(C)C(O)C(=O)O;L-2-HYDROXYPHYTANATE
CSS(=O)(=O)C;METHYLMETHANETHIOSULFONATE
NC(=O)c1cnccn1;PYRAZINAMIDE
CC(O)C(N)C(=O)O;THR
CCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7834
CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7835
OC1=NC2=C(NC(=O)N2)C(=O)N1;URATE
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(O)c3)OS(=O)(=O)O;CPD-1822
CC(=O)CCC1=C(C)CCCC1(C)C;OXIDIZED-LATIA-LUCIFERIN
C[N+](C)(C)CC=O;BETAINE-ALDEHYDE-HYDRATE
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7832
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7833
OC(=O)C(=O)Cc1ccccc1;PHENYL-PYRUVATE
Oc1ccccc1O;CATECHOL
NC1=NC(=O)N(C=C1)C2CC(O)C(CO)O2;DEOXYCYTIDINE
OCC(O)C(O)CO;ERYTHRITOL
OC1C(O)c2c(O)cc(O)cc2OC1c3cc(O)c(O)c(O)c3;CPD-7088
CCC(C)C(=O)OC1CC(C)C=C2C=CC(C)C(CCC3CC(O)CC(=O)O3)C12;CPD-5561
OC(=O)C=Cc1ccc(O)c(O)c1;CPD-8098
CC(=C(CC(=O)O)C(=O)O)C(=O)O;CPD-1136
C[n+]1cccc(c1)C(=O)N;CPD-396
CSC(=O)C(O)CO;S-METHYL-1-THIO-D-GLYCERATE
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8093
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8092
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8091
CCCCCC=CCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC[N+](C)(C)C;CPD-8090
Oc1cc2OC(=O)C=Cc2cc1O;CPD-8097
OC(=O)C=Cc1cc(O)c(O)cc1O;CPD-8096
OC1C=C(O)C(=O)C=C1C=CC(=O)O;CPD-8095
OC(=O)C=CC1=CC(=O)C(=O)C=C1;CPD-8094
OCC(O)C(O)C(=O)CO;L-XYLULOSE
CC12CCC3C(CCC4CC(=O)CCC34C)C1CCC2O;17-BETA-HYDROXYANDROSTAN-3-ONE
CC(=CC=C(O)C(=O)O)C(=O)CCC1C2CCC(=O)C2(C)CCC1=O;3-HYDROXY-5917-TRIOXO-45910-DISECOA
CN(C)c1ccc(N)cc1;NN-DIMETHYL-14-PHENYLENEDIAMINE
NC(=Nc1ccccc1)S;CPD-7084
OCC(O)C(O)C(O)(CO)C(=O)O;2-CARBOXY-D-ARABINITOL
OC(=O)C(=C)OP(=O)(O)O;PHOSPHO-ENOL-PYRUVATE
COc1ccc(C=CC)cc1OC;ISOMETHYLEUGENOL
CN(C)CCc1c[nH]c2ccc(O)cc12;BUFOTENINE
OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)C(OC5OCC(O)(CO)C5O)C(O)C1O;7-O-BETA-D-APIOFURANOSYL-12-BETA-D-GLU
CC(C)(COCCCO)Nc1cccc2C(O)CCCc12;5-TERT-BUTYLAMINOL-2-HYDROXYPRO-1234-TET
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCSC=O;FORMYL-COA
CC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C(O)C1O;CPD-8013
CCC1CC2C(CCC2=O)C(=C1)C(=O)NC3(CC3CC)C(=O)O;CPD-7081
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O;UDP-N-ACETYL-GALACTOSAMINE
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)O;4-P-PANTOTHENATE
OC1C(O)C(O)C(O)C(O)C1O;CPD-8060
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1Cn4cnc(CC(N)C(=O)O)c4;CPD-8703
Oc1cc(O)c2C(=O)C(=Cc3cc(O)c(O)c(O)c3)Oc2c1;CPD-3001
NNC(=O)c1ccncc1;ISONIAZIDE
CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;CPD-7238
CC(C)C(O)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-7239
COc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(OC)c1;CPD-4569
CC(CCC=C(C)C)C1CCC2(CO)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;CPD-4568
COc1cc2OCOc2cc1C3COc4cc(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)cc(O)c4C3=O;CPD-4567
CN1C(=O)NC(=O)c2nc[nH]c12;3-METHYLXANTHINE
COc1cc2OCOc2cc1C3COc4cc(O)cc(O)c4C3=O;CPD-4565
OC(CN1CCC1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O;CPD-7231
CCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7944
COc1ccc(cc1)C2=COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)ccc3C2=O;CPD-4562
COc1ccc(cc1)C2=COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2=O;CPD-4561
CC(OP(=O)(O)O)C(N)C(=O)O;PHOSPHOTHREONINE
CC1(C)C2CCC(=C)C1C2;CPD-3221
OC(=O)C=Cc1c[nH]cn1;UROCANATE
COC1C(O)C(O)C(O)C(O)C1O;CPD-8064
NCCOP(=O)(O)OCC(O)CO;L-1-GLYCEROPHOSPHORYLETHANOL-AMINE
OC1C=CC=C(C1O)C(=O)O;1-2-CIS-DI-OH-BENZOATE
OCCS(=O)(=O)O;CPD-3745
O[N+](=O)c1ccc(OP(=O)(O)Oc2ccc(cc2)[N+](=O)O)cc1;BIS-P-NITROPHENOLPHOSPHATE
Nc1ccccc1C(=O)O;ANTHRANILATE
CC(C)(O)C(O)C(=O)O;DIOH-ISOVALERATE
CC(=O)NC1C(OC2C(O)C(CO)OC(OC3C(O)OC(O)C(O)C3O)C2O)OC(CO)C(O)C1OC4OC(CO)C(O)C(O)C4O;GAL-GLCNAC-GAL-GLC
CC(=O)N(O)CCCCC(NC(=O)CC(O)(CC(=O)NC(CCCCN(O)C(=O)C)C(=O)O)C(=O)O)C(=O)O;AEROBACTIN
Oc1ccc2C(=O)C(=Cc3ccc(O)c(O)c3)Oc2c1;CPD-7389
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC(=O)c4cccc(O)c4O)C(O)C3O;DHBENZOYL-AMP
OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;MI-HEXAKISPHOSPHATE
O=C1C=Cc2ccccc2C1=O;CPD-4895
CC(C)C12CC=C(C)C1C2;CPD-4894
CC(C)C12CCC(=C)C1C2;CPD-4893
CC1=CCC2CC1C2(C)C;CPD-4892
CC1(C)C2CCC(=C)C1C2;CPD-4891
CC(=C1CCC(=CC1)C)C;CPD-4890
CC(N=C(C)C(=O)O)C(=O)O;CPD-310
O[SH+](O)(O)SS[SH+](O)(O)O;S4O6
OC1COC(OCC2OC(O)C(O)C(O)C2O)C(O)C1O;VICIANOSE
COc1ccc(cc1OC)C(O)CO;CPD-5702
CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=CC(=O)c2ccccc2C1=O)C;CPD-6947
NC(=NCCCCCC(=O)O)N;CPD-6943
NC(=NCCCCC(=O)O)N;CPD-6942
OP(=O)(O)CCCl;CPD-6941
CCOP(=S)(O)OCC;DIETHYLTHIOPHOSPHATE
C[N+](C)(C)CC=CC(=O)O;CROTONO-BETAINE
CC1CC=NC1C(=O)NCCCCC(N)C(=O)O;CPD-3321
CC1C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C)CCC1=C;CPD-6949
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1;CPD-6948
Oc1ccncc1O;DIHYDROXYPIRIDIN-CPD
CCC=CCC1C(CC(=O)O)CCC1=O;CPD-5943
CC(OC1C(O)C2COC(O2)C1NC(=O)C)C(=O)O;CPD0-882
CCC=CCC1C(CC(=O)O)CCC1=O;CPD-5941
COc1cc2CCN3Cc4c(CC3c2cc1OC)ccc(OC)c4OC;TETRAHYDROPALMATINE
Cc1ccc2ccccc2n1;CPD-5944
NC1CC(CO)C(O)C(O)C1O;CPD-7301
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8317
CC1OC(O)C(O)C(O)C1O;RHAMNULOSE
CSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;5-METHYLTHIOADENOSINE
CC1OC(OCC2OC(OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)C(OC6OCC(O)C(O)C6O)C(O)C2O)C(O)C(O)C1O;CPD-5781
OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2;ROSMARINATE
CC(C)[N+](=O)[O-];CPD-244
NC(C(=O)O)c1ccc(O)cc1;D-4-HYDROXYPHENYLGLYCINE
OCC1OC(OC(=O)CC2C(=O)Nc3ccccc23)C(O)C(O)C1O;2-OXINDOLE-3-ACETYL-HEXOSE
C[N+](C)([O-])c1ccccc1;NN-DIMETHYLANILINE-N-OXIDE
COc1ncc(CO)c(N)n1;BACIMETHRIN
NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-];DINITROPHENYLHYDRAZINE
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8267
CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;undecaprenyl
NC(CCl)C(=O)O;CHLORALAN-CPD
OC(=O)c1ccnc(c1)C(=O)O;CPD-7049
CC12CCC(O)CC1CCC3C4CCC(O)(C(O)CO)C4(C)CC(O)C23;CORTOL
CN(C)C=O;CPD-581
OS(=O)(=O)O;AG2SO4
NC(=N)NC1C(O)C(O)C(O)C(=O)C1O;D-1-GUANIDINO-1-DEOXY-3-DEHYDRO-SCYLLO-I
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8269
CC(=O)OC1CCC2(C)CCC3=C(C)CCC(CC2C1=C)C3(C)C;TAXA-42011-DIEN-5-ALPHA-YL-ACETATE
ON=C(S)Cc1c[nH]c2ccccc12;CPD-1861
OCC1OC(O)C(O)C(O)C1O;ALPHA-D-GALACTOSE
OCC1C(O)C(O)C(O)OC1SC(=NOS(=O)(=O)O)Cc2c[nH]c3ccccc23;CPD-1863
OCC1C(OC(O)C(O)C1O)SC(=NO)Cc2c[nH]c3ccccc23;CPD-1862
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C35OC5CC12C;911-ALPHA-EPOXYPREGN-4-ENE-320-DIONE
OC1CC(=CC(OP(=O)(O)O)C1O)C(=O)O;SHIKIMATE-5P
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO;11-DEOXYCORTICOSTERONE
CC(=O)NCCCC(=O)CC(=O)O;3-OXO-6-ACETAMIDOHEXANOATE
CCCOC(=O)c1cc(O)c(O)c(O)c1;CPD-6542
CC12CCC3C(CCc4cc(O)ccc34)C1CC(O)C2O;ESTRIOL
OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;D-MYO-INOSITOL-34-BISPHOSPHATE
OC(=O)CCC(=O)c1ccccc1C(=O)O;2-SUCCINYL-BENZOATE
CC(N)Cc1ccccc1;CPD-7658
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC;R-CANADINE
CCC(C)(O)C(O)C(=O)O;1-KETO-2-METHYLVALERATE
OC(=O)Cc1c[nH]c2ccc(O)cc12;5-HYDROXYINDOLE_ACETATE
[O-][S]([O-])[S]([O-])[O-];S2O4
CC(O)CO;PROPANE-1,2-DIOL
OS(=O)(=O)S;S2O3
ONc1cccc(O)c1;3-HYDROXYAMINOPHENOL
CC12CCC3C(CCC4CCCCC34C)C1CCC2CC=O;PREGNAN-21-AL
Oc1ccc(C2COc3cc(O)ccc3C2=O)c(O)c1;2-HYDROXY-23-DIHYDRODAIDZEIN
CC(=O)C=CC=C(O)C(=O)O;2H6OH2-4DIENOATE
CC(OC1C(O)C(COP(=O)(O)O)OC(O)C1NC(=O)C)C(=O)O;CPD0-881
COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4cc5OCOc5cc24;CPD-8958
COc1cc2CC[n+]3cc4c(OC)c(OC)ccc4cc3c2cc1O;COLUMBAMINE
COc1cc(C=Cc2ccc(O)c(OC)c2)ccc1O;12-BIS4-HYDROXY-3-METHOXYPHENYLETHYLE
NC1=NC(=O)C2=C(CNC3C=CC(O)C3O)C=NC2=N1;QUEUINE
OC(=O)C(=O)C=C;2-OXOBUT-3-ENANOATE
CNC(CCC(=O)O)C(=O)O;CPD-404
OCC1OC(Oc2cccc(CO)c2)C(O)C(O)C1O;CPD-1142
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;MI-PENTAKISPHOSPHATE
CC(=O)C(O)COP(=O)(O)O;DIHYDROXY-BUTANONE-P
OC1C(O)C(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)OC(C1O)C(=O)O;LUTEOLIN-7-O-BETA-D-GLUCURONIDE
NOCCC(N)C(=O)O;L-CANALINE
CC(O)(CBr)CCOP(=O)(O)OP(=O)(O)O;CPD0-1025
NCCCNCCCN;NORSPERMIDINE
CN(C)CCOP(=O)(O)O;CPD-5441
O=C1NC(C(=O)N1)c2ccccc2;PHENYLHYDANTOIN
NC(Cc1cnc[nH]1)C(=O)NO;CPD0-918
OCC(O)C(O)C(OC1OC(CO)C(O)C(O)C1O)C(O)CO;CPD-3609
CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C;CPD0-1028
OCC1OC(OCP(=O)(O)O)C(O)C(O)C1O;CPD0-1029
COc1cc(C=CC(=O)OCC[N+](C)(C)C)cc(OC)c1O;SINAPOYLCHOLINE
c1cnc2ncncc2n1;PTERIDINE-RING
OC(Cc1ccc(O)c(O)c1)C(=O)O;3-34-DIHYDROXYPHENYLLACTATE
CCCC=O;BUTANAL
CC1OC(OC2C(O)C(OP(=O)(O)O)C(NC(=[N+])N)C(O)C2NC(=[N+])N)C(O)C1(O)CO;O-14-ALPHA-L-DIHYDROSTREPTOSYL-STREPTID
CC(O)c1ccccc1;1-PHENYLETHANOL
CC12CCCC1C3CCc4cc(OS(=O)(=O)O)ccc4C3CC2;STEROID-O-SULFATE
N;AMMONIA
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3cc(O)c(O)c(O)c3;MYRICETIN
CCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCC;12-DIDECANOYLGLYCEROL
CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;RETINOL
NC(=O)N;UREA
OCC1C(O)C(O)C(O)OC1SC(=NOS(=O)(=O)O)CC=C;2-PROPENYL-GLUCOSINOLATE
CC(=O)NCCCCN;CPD-569
CC(=O)NC1C(O)C(O)C(COP(=O)(O)O)OC1OP(=O)(O)O;N-ACETYL-D-GLUCOSAMINE-1-6-P
NC(CCSCC1OC(O)C(O)C1O)C(=O)O;CPD-564
CC(=O)NC=C(CC(=O)O)C(=O)O;CPD-565
NC(=N)NCCCCNC(=O)c1ccccc1;CPD-566
Oc1ccc(CNc2ncnc3NCNc23)cc1;CPD-6162
CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C(C)(C)CCCC12C;ENT-COPALYL-DIPHOSPHATE
OC(=O)C1OC1C(=O)O;CPD-562
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O;AMP-GROUP
OCC(O)CC(=O)C(=O)O;CPD-1134
NC(CC(=O)OP(=O)(O)O)C(=O)O;L-BETA-ASPARTYL-P
OC(=O)C(=O)O;OXALATE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O;ATP
NC(C=O)C(O)C(O)C(O)CO;GALACTOSAMINE
NC(=N)NCCCC(=O)O;4-GUANIDO-BUTYRATE
CC(C)CO;ISOBUTANOL
NC(Cc1cc(I)c(O)c(I)c1)C(=O)O;DIIODO-L-TYROSINE
CCCCCC=CCC=CCCCCCCCC(=O)O;LINOLEIC_ACID
OC(=O)C(=O)CP(=O)O;3-HYDROHYDROXYPHOSPHORYLPYRUVATE
CC(=O)N(O)CCCCC(N)C(=O)O;CPD-961
Cc1cnc2ccccc2c1;CPD-962
CC1=Cc2ccccc2NC1=O;CPD-963
Cc1cc2NC3=C(NC(=O)NC3=O)N(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C;FMNH2
NC(CO)C(=O)O;SER
OC=O;CARBOXYL-GROUP
NC(C[n+]1ccc(O)c(O)c1)C(=O)O;CPD-38
OC(CC(=O)C=O)C(O)C(=O)O;CPD-37
NC1(CC1)C(=O)O;CPD-68
CC(=O)NCCCC(=O)O;CPD-35
CC(C)(O)CCc1c(O)cc(O)c2C(=O)C(COc12)c3ccc(O)cc3O;CPD-34
CC(O)C(O)C(O)C(O)C(=O)O;CPD-33
OC(=O)CC(O)(CC(=O)C(=O)O)C(=O)O;CPD-32
CC(O)(CC(=O)O)C(=O)O;CPD-31
CC(=O)NCCCC=O;CPD-30
OC(C=O)C1OCC(O)C1O;CPD-8938
[C-]#[O+];CARBON-MONOXIDE
CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23;UROCORTISONE
CCCCCC(O)C=CC1C(CC=CCCCC(=O)O)C(O)CC1=O;5Z13E-15S-9-ALPHA15-DIHYDROXY-11-O
CC(N)C(=O)CCCCCC(=O)O;8-AMINO-7-OXONONANOATE
NC(CCCC(N)C(=O)O)C(=O)O;MESO-DIAMINOPIMELATE
NC(CCSCC1OC(C(O)C1O)n2ccc3c(N)ncnc23)C(=O)O;S-TUBERCIDINYLHOMOCYSTEINE
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C;CPD-7524
CCCCCC=CCC=CC=CC=CC(SCC(N)C(=O)O)C(O)CCCC(=O)O;7E9E11Z14Z-5S6R-6-CYSTEIN-S-YL
Oc1ccc(C=CC(=O)NCCc2c[nH]c3ccc(O)cc23)cc1;CPD-8936
CC1=C(C=O)C(C)(C)CC=C1;CPD-8669
OCC(O)CC(=O)C(=O)O;CPD-1784
CC(C)C(C)CCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-709
OC(=O)Cc1ccc(Cl)cc1;CPD-1786
Cc1ccc(O)c(O)c1;4-METHYLCATECHOL
NCC(N)C(=O)O;CPD-1782
OCC(O)C=C(O)C(=O)O;CPD-1783
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4361
Cc1ccc(cc1)[N+](=O)[O-];CPD-701
OCc1ccc(cc1)[N+](=O)[O-];CPD-702
CC(=O)NC(CC(=O)NC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2NC(=O)C)C(O)C1NC(=O)C)C(=O)N;CPD-8582
OC(=O)c1ccc(cc1)[N+](=O)[O-];CPD-704
CP(=O)(O)O;CPD0-1068
CC(=O)NC(CCCCN)C(=O)O;N-ACETYL-L-LYSINE
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-707
CC1(CC(=O)C=C2C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-498
CC(O)(CCOP(=O)(O)O)CC(=O)O;CPD-499
CCCOCCC;DIPROPYLETHER
OC1CN=C(C1)C(=O)O;CPD-1128
OCC1OC(O)(CO)C(O)C1O;FRU
CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O;BETA-D-GAL-1-3-D-GLCNAC
OC1COC(OP(=O)(O)O)C(O)C1O;CPD-490
CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)C)C)C;CPD-491
NC(=N)NCCCCNP(=O)(O)O;CPD-492
NP(=O)(O)O;CPD-494
OP(=O)(O)OC=O;CPD-495
OCC(O)C(O)C(O)COP(=O)(O)O;CPD-496
OCC1OC(C(O)C1O)C2=CNC(=O)NC2=O;CPD-497
COc1cc(C=C)ccc1O;CPD-1072
OC(=O)C=CC(=O)CC(=O)C(=O)O;CPD-1070
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O)C=CC=C(C)C(=O)OC2OC(CO)C(O)C(O)C2O;CPD-8667
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)O;CPD-8511
CC12CCC3C(CC(O)c4cc(O)ccc34)C1CCC2O;CPD-1077
Oc1ccc(CC#N)cc1;CPD-1074
Oc1ccc(C=C)cc1;CPD-1075
C=CC=C;BUTADIENE
C[S+](CCCN)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23;S-ADENOSYLMETHIONINAMINE
CC1=C(C=O)C(C)(C)CC(O)C1;CPD-8661
NCCC(O)C(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CC(O)NC(=N)N2;TUBERACTINOMYCIN-A
NCc1[nH]c(Br)c(CCC(=O)O)c1CC(=O)O;2-BROMOPORPHOBILINOGEN
OCC1OC(=O)C(O)C1O;CPD-368
CC1CCC(C2C=C(C)CCC12)C(=C)C;CPD-7554
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CHOCOLA_A
OCC(OC1OC(COP(=O)(O)O)C(O)C(O)C1O)C(=O)O;CPD0-1063
OCC(O)C(CO)CO;CPD-362
OCC(=O)C(O)C(=O)O;CPD-363
OC1COC(=O)C(O)C1O;CPD-360
CC(=CC=CC=C(C)C=CC=C(C)C(=O)OC1OC(CO)C(O)C(O)C1O)C=CC=C(C)C(=O)O;CPD-8663
OC(=O)C(CS(=O)(=O)O)OP(=O)(O)O;CPD-366
OC(CS(=O)(=O)O)C(=O)O;CPD-367
CC(C1CCC(C)C2CCC(=CC12)C)C(=O)O;CPD-7559
CC(C=O)C1CCC(C)C2CCC(=CC12)C;CPD-7558
OC(=O)C(=O)c1ccc(O)cc1;CPD-142
[OH-][N+](=O)OCC(CO[N+](=O)[OH-])O[N+](=O)[OH-];CPD-143
OC(=O)c1cc(O)c(O)cc1C(=O)O;CPD-636
OC(=O)C(=O)c1ccccc1;CPD-141
OCC(CO)O[N+](=O)[OH-];CPD-146
OCC(O)CO[N+](=O)[OH-];CPD-147
OCC(CO[N+](=O)[OH-])O[N+](=O)[OH-];CPD-144
OC(CO[N+](=O)[OH-])CO[N+](=O)[OH-];CPD-145
CC(=C)C1CCC(=CC1=O)C;CPD-1090
O=C1C=CC(=O)c2ccccc12;CPD0-954
OC(COP(=O)(O)O)C=O;L-GLYCERALDEHYDE-3-PHOSPHATE
OC(=O)CCC(=CC(=O)O)C(=O)O;CPD-149
CC1(CCCC2(CO)C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-638
CC(O)C[N+](C)(C)C;CPD-639
CC(=O)SCCN;CPD-1096
NC(=O)CCC(NC(=O)Cc1ccccc1)C(=O)O;CPD-1097
CC(C)C1CC=C(C)C2CC=C(C)CC12;CPD-8794
CC(C)C1CC=C(C)C2CC=C(C)CC12;CPD-8795
CC(C)C1CC=C(C)C2CC=C(C)CC12;CPD-8796
CC(C)C1CC=C(C)C2CCC(=CC12)C;CPD-8797
CC(C)C1CCC(=C)C2CCC(=CC12)C;CPD-8790
CC(C)C1CCC(=C)C2CCC(=CC12)C;CPD-8791
CC(C)C1CCC(=C)C2CCC(=CC12)C;CPD-8792
CC(C)C1CCC(=C2CCC(=CC12)C)C;CPD-8793
NC(Cc1cc(c(O)c(c1)[N+](=O)O)[N+](=O)O)C(=O)O;DINITRO-L-TYROSINE
CCCCCCCCCCCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O;CPD-8369
OS(=O)S(=O)(=O)O;CPD-7987
CC(C)C1CC=C(C)C2CCC(=CC12)C;CPD-8798
CC(C)C1CC=C(C)C2CCC(=CC12)C;CPD-8799
CC1(C)CCCC1(C)C2CCC(=C)C=C2;CPD-8248
OCC1OC(OCC2OC(OCC3OC(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8249
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(OP(=O)(O)O)C3O;3-5-ADP
COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(OC)c(O)c3;35-DIHYDROXY-347-TRIMETHOXYFLAVONE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O;ADP
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(O)C4(C)C)C3(C)C(=O)CC12C;CPD-5302
CC(C)(O)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C;CPD-5303
CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;CPD-4081
OCC(O)C1OC(O)C(=O)C1O;CPD-9055
CC(=O)NC(CCC(=O)O)C(=O)O;ACETYL-GLU
COc1cc(C=CC=O)cc(OC)c1OC2OC(CO)C(O)C(O)C2O;CPD-79
CC(CCC=C(C)C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;CPD-8646
OCC(O)C(O)C(=O)C(O)C(=O)O;3-KETO-L-GULONATE
NC(COP(=O)(O)OCCNC(=N)NP(=O)(O)O)C(=O)O;N-PHOSPHOLOMBRICINE
Oc1ccc(Cl)c(O)c1;4-CHLORORESORCINOL
CC(=CCc1cccc2[nH]cc(CC3NC(=O)C(=C(C)O)C3=O)c12)C;BETA-CYCLOPIAZONATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;CPD-8514
OC1OC(COS(=O)(=O)O)C(OC2OC(C(O)C(O)C2OS(=O)(=O)O)C(=O)O)C(O)C1NS(=O)(=O)O;HEPARIN
OCC1OC(O)C(O)C(O)C1OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O;ALPHA-D-XYLOSYL-1-6-BETA-D-GLUCOS
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8428
CCCCCCCCCC=CCCC=CC(O)C(CO)NC(=O)C(O)CCCCCCCCC;CPD-8429
CC12CCC(O)CC1CCC3C2CCC4(C)C3CCC4=O;3-ALPHA-HYDROXY-5-BETA-ANDROSTAN-17-ONE
CCCCCCCCCCCC(O)CC(=O)NC1C(OP(=O)(O)O)OC(CO)C(O)C1OC(=O)CC(O)CCCCCCCCCCC;BISOHMYR-GLUCOSAMINYL-1P
OC(=O)c1csc(n1)c2c[nH]c3ccccc23;INDOLE-CARBOXYL-THIAZOLE
NCC=C1OC2CC(=O)N2C1C(=O)O;CLAVAMINATE
COc1cc(ccc1O)C2OCC3C2COC3c4ccc(O)c(OC)c4;CPD-8906
CCCCCCCCCC=CCCC=CC(O)C(N)CO;CPD-8427
Oc1ccccc1I;2-IODOPHENOL
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OCC(OP(=O)(O)O)C(=O)O)C(O)C3O;3-ADP-2-PHOSPHOGLYCERATE
CCCCCCCCCCCCCCCC(=O)OC(CO)COP(=O)(O)OCC(O)CO;CPD-8363
[Br-];BR-
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O;EDTA
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)O;L-1-LYSOPHOSPHATIDATE
OCC(O)C(O)C(O)C(=O)CO;TAGATOSE
CC(CCC(=C(C)C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4141
CC(C)C(=O)N;ISOBUTYRAMIDE
OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O;APIGENIN-7-O-BETA-D-GLUCOSIDE
CS(=O)C;DMSO
NCCC#N;BETA-AMINOPROPIONITRILE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC(=O)CCCCC4CCSS4)C(O)C3O;LIPOYL-AMP
OC(=O)CCCC(=O)C(=O)O;2K-ADIPATE
CN1C(CCC1=O)c2ccc[n+](C)c2;CPD-3184
CC=C1CN2C3Cc4c([nH]c5ccccc45)C2CC1C3CO;10-DEOXYSARPAGINE
CC[N+](=O)[O-];CPD-320
CN1C(CCC1=O)c2ccc[n+]([O-])c2;CPD-3185
CCCCCC(=O)O;HEXANOATE
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)c(C)c(C)c2O1;GAMA-TOCOPHEROL
CCC12CC(O)(C3N(C)c4cc(OC)ccc4C35CCN(CC=C1)C25)C(=O)OC;DEACETOXYVINDOLINE
CC1(C(O)CCC2(C=O)C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-6201
CC1(C(O)CCC2(CO)C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-6202
CC(=CCCC(=CC=O)C)C;GERANIAL
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8347
Oc1ccc(C2=COc3cc(O)ccc3C2=O)c(O)c1;2-HYDROXYDAIDZEIN
COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c24)C3=CC1O;SALUTARIDINOL
OC(=O)CCCC(=O)O;GLUTARATE
CC(=O)CC1=CC(=O)c2c(C)cc(O)cc2O1;CPD-6801
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;D-ALLOSE-6-PHOSPHATE
CC=C(C)C(=O)OC1CCN2CC3CC(CN4C3CCCC4=O)C2C1;13-2-METHYLCROTONOYLOXYLUPININE
OCC1OC2OCC3(OC(CO)C(O)C3O)OC2C1O;DFA-III
CCCCCCCCCCC1=C(C)C(=O)C(=C(OC)C1=O)OC;DECYLUBIQUINONE
OC(=O)CCC(C(CC(=O)O)C(=O)O)C(=O)O;CPD-7639
OC(=O)CCC(C(=O)O)C(=O)C(=O)O;OXALO-GLUTARATE
Cc1ccc(Cl)cc1;CPD-7697
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7825
CC(=C)C=CCC(C)(O)C=C;CPD-7983
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC;CPD-7823
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7822
NC(CCSCC(N)C(=O)O)C(=O)O;L-CYSTATHIONINE
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8339
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8336
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8337
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8334
CCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8335
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8332
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8333
OC(CCNC(CCN1CC(O)C1C(=O)O)C(=O)O)C(=O)O;CPD-7291
OC1C(O)c2c(O)cc(O)cc2OC1c3ccc(O)cc3;LEUCOPELARGONIDIN-CMPD
O=C1CCCCCN1;CPD-883
COc1ccc(CCC(=O)c2c(O)cc(OC3OC(CO)C(O)C(O)C3OC4OC(C)C(O)C(O)C4O)cc2O)cc1O;CPD-7069
O=C(C=CC=Cc1ccc2OCOc2c1)N3CCCCC3;N-EE-PIPEROYL-PIPERIDINE
OCC(O)C(O)COP(=O)(O)O;D-ERYTHRITOL-4P
CCCCCCCCCCCCCC(=O)OC(OC(=O)CCCCCCCCCCCCC)OP(=O)(O)OCC[N+](C)(C)C;DIMYRISTOYLPHOSPHATIDYLCHOLINE
CCCC(=O)CC(=O)CCC;NONANE-46-DIONE
OC1CNC(C1)C(=O)O;L-4-HYDROXY-PROLINE
COc1cc(C=CC=O)cc(OC)c1O;SINAPALDEHYDE
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;PROGESTERONE
NC(CO)Cc1c[nH]cn1;HISTIDINOL
OC(=O)CCCCCCCC=CCCCCCCCC=O;18-OXOOLEATE
O[N+](=O)c1ccccc1C=O;CPD-9059
CC(C)CCO;3-METHYLBUTANOL
OCC1OC(C(O)C(O)C1O)[n+]2cccc(c2)C(=O)O;CPD-446
OS(=O)(=O)c1ccc(C=O)cc1;4-SULFOBENZALDEHYDE
OS(=O)(=O)O;HSO4
OCC1OC(OCC2OC(OC3(CO)OC(COC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-169
OS(=O)O;HSO3
CC(C)CCCC(C)CCCC(C)CCCC(=CC(=O)O)C;PHYTANATE
COc1ccc2CC3c4cc5OCOc5cc4CC[N+]3(C)Cc2c1OC;CIS-N-METHYL-S-781314-TETRAHYDROPRO
[C-3]O;HYDROXYL-GROUP
CCCCCC(O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O;ALPROSTADIL
COc1ccc(cc1OC)C(O)C(CO)c2ccc(OC)c(OC)c2;12-BIS34-DIMETHOXYPHENYLPROPANE-13-
NC1=NC2=C(N=C(CN2)C(O)C(O)COP(=O)(O)O)C(=O)N1;DIHYDRONEOPTERIN-P
Cc1cc2NC3=C(NC(=O)NC3=O)N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C;FADH2
Oc1c(O)c(Cl)ccc1Cl;36-DICHLOROCATECHOL
Nc1[nH]cnc1C(=O)O;4-AMINO-5-IMIDAZOLE_CARBOXYLATE
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)C(O)CC2(C)C;CPD-7958
NC(=O)C1=CN(C=CC1)C2OC(CO)C(O)C2O;CPD-7229
OC(=O)C(CCN1CCC1C(=O)O)NCCC(=O)C(=O)O;CPD-7228
CC(=CC=O)C;PRENAL
CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C)C)C;CPD-7953
CC(=O)NC(CCCNC(=O)N)C(=O)O;CPD-7224
OC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O;CPD-7227
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7950
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)C(=O)C(O)CC2(C)C;CPD-7957
CCC1C2CC3C4N(C)c5ccccc5C46CC(C2C6OC(=O)C)N3C1O;CPD-7956
COC1=C(Oc2c(OC)c(OC)cc(O)c2C1=O)c3ccc(O)c(OC)c3;CPD-7954
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;35734-PENTAHYDROXYFLAVONE
COc1ccc(cc1)C2=COc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O;BIOCHANIN-A-7-O-BETA-D-GLUCOSIDE
NCCc1ccccc1;PHENYLETHYLAMINE
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1;R-NORCOCLAURINE
OCCCCC(=O)O;5-HYDROXYPENTANOATE
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O;ISOFLAVONE
OC1CSSCC1O;45-CIS-DIHYDROXY-12-DITHIACYCLOHEXANE
OC(=O)c1cnccn1;PYRAZINOIC-ACID
COc1ccc(CC(N)C(=O)NC2C(CO)OC(C2O)n3cnc4c(ncnc34)N(C)C)cc1;PUROMYCIN
CC1CCC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O;7-DEOXYLOGANATE
CCc1c(C=O)c2cc3[nH]c(cc4nc(C(CCC(=O)O)C4C)c5C(C(=O)OC)C(=O)C6=C(C)c(cc1n2)[nH]c56)c(C)c3C=C;CPD-7062
O=Cc1ccccc1;BENZALDEHYDE
OC(=O)C=CC(=CC=O)O;4-HYDROXYMUCONIC-SEMIALDEHYDE
O=C1CCCC(=O)C1;CYCLOHEXANE-13-DIONE
OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)cc2;CPD-6978
OC(=O)C(Cc1ccc(O)cc1)OC(=O)C=Cc2ccc(O)c(O)c2;CPD-6979
NCC(=O)N;CPD-7691
CC(N)(Cc1c[nH]c2ccccc12)C(=O)O;ALPHA-METHYLTRYPTOPHAN
OC1C=C(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O;CAFFEOYLSHIKIMATE
OC1C(O)c2cccc3cccc1c23;--TRANS-ACENAPHTHENE-12-DIOL
CC(C)(C)C(O)C(Cc1ccc(Cl)cc1)n2cncn2;CPD-6970
CC12CCCC3(COC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6971
OC(=O)C(Cc1ccc(O)cc1)OC(=O)C=Cc2ccc(O)cc2;CPD-6976
OC(Cc1ccc(O)cc1)C(=O)O;CPD-6977
CC12C(O)CCC3(COC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6974
CC12C(O)C=CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6975
NCCCCNCCCN;SPERMIDINE
CC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;17A-HYDROXY-PROGESTRONE
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NC(CS)C(=O)O;R-4-PHOSPHOPANTOTHENOYL-L-CYSTEINE
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)O)C(=O)O)C(=O)O;BIS-GAMMA-GLUTAMYLCYSTINE
CC1CNC(=O)NC1=O;DIHYDRO-THYMINE
OC(=O)CCC(=O)C(=O)O;2-KETOGLUTARATE
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O;CPD-5742
Cc1cc2ncn(C3OC(CO)C(O)C3O)c2cc1C;ALPHA-RIBAZOLE
CSCCCC(=NO)S;3-METHYLTHIOPROPYLHYDROXAMIC-ACID
OC(Cc1c[nH]cn1)C(=O)O;IMIDAZOLE-LACTATE
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OC(O)CCC(=O)O)c2C)c(N)n1;SUCCINATE-SEMIALDEHYDE-THIAMINE-PPI
CCCCCC(OO)C=CC=CCC=CCC=CCCCC(=O)O;5Z8Z11Z13E-15S-15-HYDROPEROXYICOS
NCCCCCCCN;17-DIAMINOHEPTANE
Nc1cncn1C2OC(COP(=O)(O)O)C(O)C2O;5-PHOSPHORIBOSYL-5-AMINOIMIDAZOLE
CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7820
C[S+](C)CC(=O)O;DIMETHYLSULFONIOACETATE
OCC(=O)C(O)C(O)COP(=O)(O)O;RIBULOSE-5P
COC1=C(O)C(=O)C(=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O)C;OCTAPRENYL-METHYL-OH-METHOXY-BENZQ
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C;CPD1F-130
NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2;DCTP
OC(=O)CCCCCCCCC=O;10-OXODECANOATE
OC(=O)C(=C)CC(=N)C(=O)O;CPD-1774
Oc1ccc(CC(=O)Nc2ncc(nc2Cc3ccccc3)c4ccc(O)cc4)cc1;OXIDIZED-LUCIFERIN
CC12CC(O)C3C(CCC4=CC(=O)CCC34C)C1CCC2C(=O)CO;CORTICOSTERONE
OC(C=O)C1OC(=O)C(O)C1O;D-GLUCURONOLACTONE
OCC1OC(Oc2c[nH]c3ccccc23)C(O)C(O)C1O;INDICAN
CC(=O)NCCCNCCCCN;CPD-568
NCCCCCC(=O)NCCCCCC(=O)O;N-6-AMINOHEXANOYL-6-AMINOHEXANOATE
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8340
NC(=O)CCCCC(CCS)SC(=O)CCC(=O)O;CPD0-341
NC(=N)NCCCCCCCCNCCCCCCCCNC(=N)N;GUAZATINE
NCCCCN;PUTRESCINE
OC(=O)c1ccccc1C=O;CPD-1131
COS(=O)(=O)C;CPD-7038
Oc1cc2OC(=Cc3ccccc3)C(=O)c2c4OCOc14;CPD-7034
OCCc1ccccc1;CPD-7035
CSCCC=O;CPD-7036
CSCCCO;CPD-7037
CC(C)C(=O)CC(=O)O;CPD-7030
CC(C)CC=O;CPD-7031
CC(C)CCO;CPD-7032
c1ncc2nc[nH]c2n1;PURINE
OCC1OC(=O)CC1O;DEOXYRIBONOLACTONE
CC(C)C(=O)C(=O)O;2-KETO-ISOVALERATE
OC(=O)CC(=O)CC(=O)C=CC(=O)O;4-MALEYL-ACETOACETATE
NC(C=O)C(=O)O;2-AMINOMALONATE-SEMIALDEHYDE
CNC1CC(N)C(O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O;HYGROMYCIN-B
NC(CCCN=C(N)N[N+](=O)[O-])C(=O)O;NITROARGININE
CCCCCCCCCCCC(=O)O;DODECANOATE
COc1cc2C3CCC4(C)C(O)CCC4C3CCc2cc1O;2-METHOXY-ESTRADIOL-17B
CN(C)c1ccc(cc1)N=C2C=C(Cl)C(=O)C(=C2)Cl;DCPIP
CN1C(CCC1=O)c2cccnc2;CPD-2742
O=C1CNC(=O)N1;HYDANTOIN
NC(=O)O;CARBAMATE
CC1OC(C)C2=C(C1O)C(=O)c3c(C2=O)c(O)cc(O)c3c4c5C(O)C(C)OC(C)c5c(O)c6c(O)cc(O)cc46;PROTOAPHIN-AGLUCONE
CC(O)C1OC(=O)C(O)C1O;L-RHAMNO-14-LACTONE
CCC1=C(C)C(CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)C4=CC)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O;3Z-PHYCOERYTHROBILIN
CCC(C)C(N)C(=O)O;ILE
Nc1nc(O)c2nc(CNc3ccc(cc3)C(=O)O)cnc2n1;PTEROATE
CC12CCC(O)CC1CCC3C4CCC(O)(C(O)CO)C4(C)CC(=O)C23;CORTOLONE
NC1C(O)OC(COP(=O)(O)O)C(O)C1O;D-GLUCOSAMINE-6-P
NC(=O)NCC(=O)O;N-CARBAMOYLGLYCINE
CCOC(=O)C;ETHYLACETATE
CCCCCCCCCCCCCCCCC=CCC=CCCCCCCCC;CPD-7921
CC=C1C2CC3C4Nc5ccccc5C46CC(C2C6OC(=O)C)N3C1O;12-DIHYDROVOMILENINE
O=C=O;CARBON-DIOXIDE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7782
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7783
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7780
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7781
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC;CPD-7786
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC;CPD-7787
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC;CPD-7784
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC;CPD-7785
CC(C)C(C)CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-710
CC(CO)C(=O)O;3-HYDROXY-ISOBUTYRATE
NCCCC(=O)N;CPD-7789
Cc1cc2ncn(C3OC(COP(=O)(O)O)C(O)C3O)c2cc1C;ALPHA-RIBAZOLE-5-P
CC(O)C=O;LACTALD
NC(=O)NC(=O)CC(=O)O;CPD-7299
OCC1OC(Oc2cc(O)cc3[o+]c(c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc23)c6ccc(O)cc6)C(O)C(O)C1O;CPD-7140
OC(CC(=O)C(=O)O)C(O)C(=O)O;2-KETO-3-DEOXY-D-GLUCARATE
CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O;CPD-7143
CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)cc5)C(O)C(O)C2O)C(O)C(O)C1O;CPD-7144
CC(C)CCCC(C)CCCC(C)CCCC(=CCc1cc(O)c(C)c(C)c1O)C;DMPBQ
CC(C)CC1=CC(=CC(=O)O1)O;CPD-7146
CC(C)CC(=O)CC1=CC(=CC(=O)O1)O;CPD-7147
CC1OC(OCC2OC(Oc3cc4c(OC5OC(CO)C(O)C(O)C5O)cc(O)cc4[o+]c3c6ccc(O)cc6)C(O)C(O)C2O)C(O)C(O)C1O;CPD-7148
OC(=O)C=C1OC(=O)C(=C1)Cl;CIS-2-CHLORO-4-CARBOXYMETHYLENEBUT-2-EN-
OCC1OC(OC2=C(Oc3cc(O)cc(O)c3C2=O)c4ccc(O)c(O)c4)C(O)C(O)C1O;CPD1F-437
CC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)cc4)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C1O;CPD1F-431
Oc1cc(O)cc(C=Cc2ccccc2)c1;CPD-438
c1ccc2ncccc2c1;QUINOLINE
CCN(CC)CC;TRIETHYLAMINE
OC(CC(=O)C(=O)O)C(O)C=O;4S5S-45-DIHYDROXY-26-DIOXOHEXANOATE
CC12CCCC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD1F-134
C;CH4
NOCC(=O)O;CARBOXYMETHOXYLAMINE
CCC(C)CO;CPD-7033
CC1(C)CC1C(=O)NC(=CCCCCSCC(N)C(=O)O)C(=O)O;CILASTATIN
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C;ALL-TRANS-HEPTAPRENYL-DIPHOSPHATE
CC(=CC=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;14-APO-BETA-CAROTENAL
NC(=N)NCCCC(NCCC(=O)O)C(=O)O;L-N2-2-CARBOXYETHYLARGININE
OCC1OC(OCC(O)C(O)C(O)C(O)C(=O)O)C(O)C(O)C1O;CPD-3801
CC(NC(=O)N)C(=O)O;N-CARBAMOYL-D-ALANINE
OP(=O)(O)OP(=O)(O)OP(=O)(O)O;P3I
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-3605
OP(=O)(O)CC=O;CPD-551
OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O;CPD-550
OCC1OC(OC(C#N)c2ccccc2)C(O)C(O)C1O;CPD-553
OS(=O)(=O)SS(=O)(=O)O;CPD-552
CC(=O)C(=O)O;PYRUVATE
Oc1cc(O)c(C(=O)C=Cc2ccc(O)c(O)c2)c(O)c1;CPD-3021
CC(O)C(C)C(=O)OCc1ccccc1;BENZYL-2R3S-2-METHYL-3-HYDROXYBUTANOA
CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC5OC(CO)C(O)C(O)C5O;CPD-556
CN(C)C1C2Cc3c(C)c4cccc(O)c4c(O)c3C(=O)C2(O)C(=O)C(=C1O)C(=O)N;ANHYDROTETRACYCLINE
OC1CC(OC1COP(=O)(O)O)n2cnc3C(=O)NC=Nc23;DIMP
CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C;GERANYL-PP
OC1CNC(C1)C(=O)O;ALLO-4-HYDROXY-D-PROLINE
CCCCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)C;CPD-8496
CC(C)CC(NC(=O)C)C(=O)O;CPD-433
CCCC(=O)OP(=O)(O)O;BUTYRYL-P
CCC1(CC)C(=O)NC(=O)NC1=O;BARBITAL
CC1=C2CC(=O)OC(c3cocc3)C2(C)CCC1C4(CO)C(CC(=O)O)OC(C)(C)C4CC(=O)O;DEOXYLIMONONIC-ACID-D-RING-LACTONE
CN(C)CCC(=O)O;CPD-6142
CNCCC(=O)O;CPD-6141
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C;CPD-7496
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8318
NC(C(O)CC(=O)O)C(=O)O;CPD-48
Oc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2;CPD-431
CN1c2ccccc2C(=O)c3c(O)cc(O)cc13;13-DIHYDROXY-N-METHYLACRIDONE
CC1CCC2(OC1)OC3CC4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(O)C7O;25S-5-BETA-SPIROSTAN-3-BETA-OL-3-O-BET
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl;CPD-43
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCc4c3[nH]c5ccccc45;CPD-40
CC12CCCC1C3CCc4cc(O)ccc4C3CC2;PHENOLIC-STEROID
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-6781
Cc1cc(O)cc(O)c1C(=O)O;CPD-47
NC(CSCC(=O)O)C(=O)O;CPD-44
OC1=CC2=C(C(=CC1=O)O)C(=O)OC2=O;CPD-45
CC12CCCC(C)(C1CC(O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD1F-136
OC(=O)C(NCCNC(C(=O)O)c1ccccc1O)c2ccccc2O;EDDHA
C1Oc2ccc(OC3OCC4C3COC4c5ccc6OCOc6c5)cc2O1;CPD-8928
O1c2ccccc2Oc3ccccc13;CPD-922
OC(=O)c1ccccc1C(=O)O;PHTHALATE
C1Oc2ccc(cc2O1)C3OCC4C3COC4c5ccc6OCOc6c5;CPD-8922
COc1cc(ccc1O)C2OCC3C2COC3c4ccc5OCOc5c4;CPD-8921
CC(=O)S;CPD-435
COc1cc(OC2OCC3C2COC3c4ccc5OCOc5c4)ccc1O;CPD-8927
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3NC(=O)C)C2O)OCC1(C)O;N2-ACETYLGENTAMICIN-C1A
COc1cc2CCN(C)C(Cc3ccc(Oc4cc(CC5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O;CPD-8925
COc1ccc(CC2N(C)CCc3cc(OC)c(OC)cc23)cc1O;CPD-8924
Oc1ccc(O)c(Cl)c1;CHLOROHYDROQUINONE
NC1=NC2=C(N=C(CN(C=O)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CN2)C(=O)N1;CPD-212
OCC1OC(Oc2cc3CC(C(=O)O)[N+](=CC=C4CC(NC(=C4)C(=O)O)C(=O)O)c3cc2O)C(O)C(O)C1O;CPD-8654
OS(=O)(=O)O;SULFATE
C1CNc2ncncc2N1;5678-TETRAHYDROPTERIDINE
O=C1OC2CC3CC(C2)CC1C3;CPD-745
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O;LACTOSE
C[S+](C)CCC(N)C(=O)O;CPD-397
OC(COP(=O)(O)O)C1OC(=O)C(=C1O)O;L-ASCORBATE-6-PHOSPHATE
CC(C)C(=C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-706
COc1cc(cc(O)c1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;CPD-8605
CC(O)CC(=O)C(=O)O;4-HYDROXY-2-KETOVALERATE
CC(=O)CCCC(=O)O;5-OXOHEXANOATE
OC(=O)CC1OC(=O)C=C1;CPD-741
CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O;5Z13E-15S-91115-TRIHYDROXYPROSTA-
CC(N)CC(N)CC(=O)O;CPD-1067
CC(N)CCC(N)C(=O)O;CPD-1066
NC(CCCCNC(=O)Cc1c[nH]c2ccccc12)C(=O)O;CPD-1061
CC(C(=O)O)C(=O)O;CPD-546
CSCC(O)C(O)C(=O)COP(=O)(O)O;CPD-1063
OCC(O)C(O)C(O)C(=O)O;D-XYLONATE
OC1CC(Oc2ccccc12)c3ccccc3;CPD-2042
O=C1CC(Oc2ccccc12)c3ccccc3;CPD-2043
CN(C)c1ccccc1;NN-DIMETHYLANILINE
CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C23OO4;CPD-7561
OC(=O)C=CC(=CC(=O)O)C=CC(=O)O;CPD-1069
CCCCCC=CCC1OC1C=CC(O)CC=CCCCC(=O)O;CPD-2044
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC;CPD-7768
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC;CPD-7769
OC(=O)C(=O)C=Cc1ccccc1O;CPDN-385
OC(=O)C1(O)Oc2ccccc2C=C1;CPDN-384
OCC(O)COP(=O)(O)O;SN-GLYCEROL-1-PHOSPHATE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)C(O)CC1O;CDP-36-DIDEOXY-D-GLUCOSE
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7760
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7761
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7762
OC(=O)CCC(=O)NC(CCC=O)C(=O)O;CPD-822
NC(=N)NCCCC=O;CPD-825
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7765
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC;CPD-7766
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC;CPD-7767
OCC1OC(C(O)C1O)[n+]2cccc(c2)C(=O)O;CPD-8259
CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC[N+](C)(C)C;CPD-8088
CC(=C)C1CC=C(C)C(=O)C1;CPD-1089
CC(C)(C(O)C(=O)O)C(=O)O;CPD-1088
Cc1cc2nc3NC(=O)NC(=O)c3nc2cc1C;CPD-605
OC(=O)Cc1nc[nH]c1O;5-HYDROXY-4-IMIDAZOLEACETATE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O;CPD-607
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)OCC(O)CO)C(O)C2O;CPD-606
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-1082
CC(C)CCCC(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-1081
OC(=O)c1cc(O)c2ccc(O)c(O)c2n1;CPD-1080
CC(C)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CCC12C;CPD-1087
NC1=C(NCC(O)C(O)C(O)COP(=O)(O)O)NC(=O)NC1=O;CPD-1086
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;CPD-1085
CC(=C)C1CCC(=CC1)C=O;CPD-1084
CC(C)C1CCC(=C)C2CCC(=CC12)C;CPD-8787
CC(=C)C1CCC2(C)CCC=C(C)C2C1;CPD-8786
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O;UTP
OC1C(COC(=O)CC(=O)O)OC(Oc2ccc3C4Oc5cc6OCOc6cc5C4COc3c2)C(O)C1O;CPD-4223
OS(=O)(=O)c1cc(ccc1C=Cc2ccc(cc2S(=O)(=O)O)N=C=S)N=C=S;CPD-8783
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C;CPD1F-114
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O;MALTOSE
CC(O)C(O)C(O)C(=O)CO;L-FUCULOSE
NC(=Cc1c[nH]c2ccccc12)C(=O)O;ALPHABETA-DIDEHYDROTRYPTOPHAN
OC(=O)CC(=O)Nc1ccc(Cl)c(Cl)c1;N-34-DICHLOROPHENYLMALONATE
CC(O)SCS;6-S-ACETYL-DIHYDROLIPOATE
Oc1cc(O)c(C(=O)C=Cc2ccccc2)c(O)c1;CPD-6993
CC(O)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;4-CYTIDINE-5-DIPHOSPHO-2-C
CC(C)C1CC=C(C)C2CCC(=CC12)C;CPD-8788
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)CO;CPD-4206
Nc1ncnc2c1ncn2C3OC(CF)C(O)C3O;CPD-5923
CC(=O)NC1C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OC(CO)C(O)C1OC(=C)C(=O)O;UDP-ACETYL-CARBOXYVINYL-GLUCOSAMINE
CC(OP(=O)(O)OCC(O)C(O)C(O)CN1C2=NC(=O)NC(=O)C2=Cc3ccc(O)cc13)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O;OX-COENZYME-F420
CCCCCCCCCCCCCCCC(=O)O;PALMITATE
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C;PREGNA-4911-DIENE-320-DIONE
OCC1OC(Oc2cc3c(CC(C(=O)O)[N+]3=CC=C4CC(NC(=C4)C(=O)O)C(=O)O)cc2O)C(O)C(O)C1O;CPD-8655
CCC=CCC1C(CC(=O)O)CCC1=O;CPD-734
OCC1OC(Oc2cc3CC([N+]c3cc2O)C(=O)O)C(OC4OC(C(O)C(O)C4O)C(=O)O)C(O)C1O;CPD-8657
OCC1OC(Oc2cc3CC([N+]c3cc2O)C(=O)O)C(O)C(O)C1O;CPD-8656
OC(=O)C1CC(=CC=O)C=C(N1)C(=O)O;CPD-8651
NC(CC(=CC=O)C=C(O)C(=O)O)C(=O)O;CPD-8650
OC(=O)C1CC(=CC=[N+]2C(Cc3cc(O)c(O)cc23)C(=O)O)C=C(N1)C(=O)O;CPD-8653
OC(=O)C1Cc2cc(O)c(O)cc2N1;CPD-8652
OC(=O)C1CC(=CC=NCCc2ccc(O)c(O)c2)C=C(N1)C(=O)O;CPD-8659
OCC1OC(Oc2cc3CC(C(=O)O)[N+](=CC=C4CC(NC(=C4)C(=O)O)C(=O)O)c3cc2O)C(OC5OC(C(O)C(O)C5O)C(=O)O)C(O)C1O;CPD-8658
NCCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;CDP-ETHANOLAMINE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;INOSITOL-1456-TETRAKISPHOSPHATE
CCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8439
CCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8438
NC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;NAD
OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(OC4C(O)C(O)C(O)OC4CO)OC3CO)OC2CO)C(O)C(O)C1O;MALTOTETRAOSE
CCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8435
CCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8434
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1=O;DTDP-DEOH-DEOXY-MANNOSE
CCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8436
CCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8431
CCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8430
CCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8433
CCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8432
OC(=O)C(=CC=C)O;CPD-6761
OC1CCCC1;CYCLOPENTANOL
CC(=O)NC1C(N)OC(CO)C(O)C1O;N-ACETYL-BETA-GLUCOSAMINYLAMINE
OC1COC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C1O;UDP-D-XYLOSE
CC(CN)OP(=O)(O)O;R-1-AMINOPROPAN-2-YL-PHOSPHATE
COc1cc(O)c2C(=O)OC(C)Cc2c1;6-METHOXYMELLEIN
OC1C(O)C(O)C(=O)C(O)C1O;MYO-INOSOSE
CC(OS(=O)(=O)O)C(=O)O;CPD-542
NC(CCONC(=N)N)C(=O)O;CANAVANINE
OC1C(O)C(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O;UMP
CCCCCCCCCCCCCCCCC(=O)C(=O)O;2-OXOSTEARATE
C#C;ACETYLENE
OCC1OC(O)C(O)C(O)C1OC2OC(COP(=O)(O)O)C(O)C(O)C2O;CPD-1244
NCCCCC(N)C(=O)O;LYS
OC(COP(=O)(O)O)C(O)c1c[nH]cn1;D-ERYTHRO-IMIDAZOLE-GLYCEROL-P
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1;VITAMIN_E
CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O;INDOLE-3-ACETYL-ALA
Nc1nc(N)c2NC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CNc2n1;4-AMINO-4-DEOXY-THF
Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1;PHLORETIN
C[N+](C)(C)CCOS(=O)(=O)O;CPD-543
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;CPD-1241
OC(=O)CC(=N)C(=O)O;IMINOASPARTATE
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-1243
OCC1OC(O)C(O)C(=O)C1O;CPD-1242
OC(=O)C(=CC=CC(=O)c1ccccc1C(=O)O)O;2-HYDROXY-6-2-CARBOXYPHENYL-6-OXO-24-
CN1CCCC1c2cccnc2;NICOTINE
OC(=O)Cc1cnc[nH]1;4-IMIDAZOLEACETATE
c1ccc(cc1)c2ccccc2;BIPHENYL
COc1cc2OC=C(C(=O)c2c(O)c1CC=C(C)C)c3ccc(O)cc3O;7-O-METHYLLUTEONE
OC(=O)c1cc(O)c2cccc(O)c2n1;XANTHURENATE
OC(=O)CC=[N+]([O-])[O-];CPD-321
COC1=CC(=O)C=C(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C1=O;OCTAPRENYL-METHOXY-BENZOQUINONE
OC(C(=O)O)C(=O)O;HYDROXYMALONATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7816
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC;CPD-7817
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7814
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7815
COC(=O)C(C=O)C1CC2c3[nH]c4ccccc4c3CC[N+]2=CC1=CC;421-DEHYDROGEISSOSCHIZINE
OC1C(O)C(OP(=O)(O)O)OC(C1O)C(=O)O;CPD-510
CC(=COC=O)CCC1=C(C)CCCC1(C)C;LATIA-LUCIFERIN
COc1ccc2N(O)C(=O)C(O)Oc2c1;24-ETC-14-BENZOXAZIN
CCCCCC(OO)C=CC=CCCCCCCCC(=O)O;13-HYDROPEROXYOCTADECA-911-DIENOATE
OC1C(O)C(=CC=C1Cl)Cl;14-DICHLOROBENZENE-DIHYDRODIOL
OC(=O)c1c(O)cc(O)cc1OC(=O)c2ccc(O)c(O)c2;2-PROTOCATECHUOYLPHLOROGLUCINOLCARBOXYLA
ON=C(S)Cc1ccccc1;PHENYLACETOTHIOHYDROXIMATE
C=Cc1ccncc1;CPD-5542
CC(C)O;ISO-PROPANOL
Oc1cccc2C(=O)C=CC(=O)c12;CPD-4041
Cc1c[nH]c2ccccc12;SKATOLE
CC(O)C(=O)C;ACETOIN
CC1=CCC2CC1C2(C)C;PINENE
ONCCc1c[nH]c2ccccc12;N-HYDROXYL-TRYPTAMINE
OCC1=CC(=O)C(=CO1)O;KOJIC-ACID
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OCC(O)C(=O)O)C(O)C3O;3-ADPGLYCERATE
BrN1C(=O)CCC1=O;N-BROMOSUCCINIMIDE
OC1C(O)C(OC1COP(=O)(O)O)[n+]2cccc(c2)C(=O)O;NICOTINATE_NUCLEOTIDE
NC(CC(=O)O)c1ccc(O)cc1;CPD-232
Oc1ccc2Cc3ccccc3c2c1O;3-4DHFLUORENE
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS;DEPHOSPHO-COA
CSCCCC(N)C(=O)O;HOMOMETHIONINE
OCC(O)C(O)C1OC(O)(CC(O)C1NC(=O)CO)C(=O)O;CPD-273
Cc1cc(O)c2ccccc2c1O;MENADIOL
NC(CCC(=O)NC(CS)C(=O)NCCC(=O)O)C(=O)O;CPD-211
CCC(=C(c1ccccc1)c2ccc(OCCN(C)C)cc2)c3ccccc3;CPD-4541
OS(=O)(=O)c1ccc(C=O)cc1;4-FORMYLBENZENESULFONATE
CC(C)C(CCCN(C)CCc1ccccc1)(C#N)c2ccccc2;CPD-4543
CC(CCCN(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4542
OCC1OC(Oc2cc(cc(O)c2O)c3[o+]c4cc(O)cc(OC5OC(CO)C(O)C(O)C5O)c4cc3OC6OC(CO)C(O)C(O)C6O)C(O)C(O)C1O;CPD-7966
Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl;PENTACHLOROPHENOL
Cc1ccc(C)cc1;CPD-1422
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C;RIBOFLAVIN
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC;CPD-7788
OCC1OC(Oc2cc3c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc(O)cc3[o+]c2c6cc(O)c(O)c(O)c6)C(O)C(O)C1O;CPD-7960
CN;METHYLAMINE
CCC(C)O;CPD-326
CC1C(O)CC2C1C(OC3OC(CO)C(O)C(O)C3O)OC=C2C(=O)O;LOGANATE
CC1CO1;CPD-3241
OCC1OC(O)C(=O)C(O)C1O;CPD-327
CC(=O)NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O;N6-ACETYLKANAMYCIN-B
O=C1C=C2Oc3ccccc3OC2=CC1=O;CPD-324
OC(=O)C(CC(=O)C(=O)O)C=C(=O)O;4-OXOBUT
O=CCc1c[nH]cn1;IMIDAZOLE_ACETALDEHYDE
OC(C(=O)O)c1ccc(O)cc1;CPD-325
Clc1ccccc1Cl;O-DICHLOROBENZENE
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1O;S-NORLAUDANOSOLINE
Oc1ccc(C=O)cc1;4-HYDROXYBENZALDEHYDE
O=C1CCC(N1)c2cccnc2;CPD-2749
Cc1ncc(C(=O)O)c(C(=O)O)c1O;CPD-234
CC(C)CCCC(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;CPD-323
OCC1OC(OC(COP(=O)(O)O)C(=O)O)C(O)C(O)C1O;ALPHA-D-MANNOSYL-3-PHOSPHOGLYCERATE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C;OCTAPRENYL-DIPHOSPHATE
COc1ccc(cc1)C(O)(C2CC2)c3cncnc3;CPD-6969
C[N+](C)(C)CCCl;CPD-6968
COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1O;S-N-METHYLCOCLAURINE
CC(CCC(=O)NCC(=O)O)C1CCC2C3C(CC4CC(O)CCC4(C)C3CCC12C)OS(=O)(=O)O;GLYCOCHENODEOXYCHOLATE-7-SULFATE
COc1cc(O)cc(CCc2ccccc2)c1;CPD-6965
COc1cc(O)cc(C=Cc2ccccc2)c1;CPD-6964
CC(C)c1cc(c(C)cc1OC(=O)N2CCCCC2)[N+](C)(C)C;CPD-6967
CCCC[P+](CCCC)(CCCC)Cc1ccc(Cl)cc1Cl;CPD-6966
OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)c(O)c4;ISOORIENTIN
Oc1ccc(C=Cc2cc(O)cc3OC(C(c4cc(O)cc(O)c4)c23)c5ccc(O)cc5)cc1;CPD-6960
Oc1cc(O)cc(CCc2ccccc2)c1;CPD-6963
OC(=O)c1ccc(O)nc1O;CPD-6962
OCC1OC(Oc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)C(O)C1O;CPD-3302
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O;3-BETA-HYDROXYANDROST-5-EN-17-ONE
Oc1cccc2C(=O)c3ccccc3C(=O)c12;CPD-3301
CC1OC(OC2C(O)C(O)C(CO)OC2c3c(O)cc(O)c4C(=O)C=C(Oc34)c5ccc(O)cc5)C(O)C(O)C1O;VITEXIN-2-O-B-L-RHAMNOSIDE
OC1C(O)C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OC(C1O)C(=O)O;UDP-D-GALACTURONATE
CCN1C(=O)CCC1=O;CPD0-903
CC(=CC=CC(=CC(=O)O)C)C=CC1=C(C)CCCC1(C)C;RETINOATE
CC(=CCC=C(C)C1CCC(=CC1)C)C;CPD-8738
CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5cc(O)c(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O;CPD-7145
Cc1ccc(O)c(N)c1;CPD-7366
[C-3]N;AMINO-GROUP
NCc1[nH]cc(CCC(=O)O)c1CC(=O)O;PORPHOBILINOGEN
CC1CCC(C(=C)C)C(=O)C1;CPD-4941
CC(C)C(=O)SC(CCS)CCCCC(=O)N;CPD-281
CC(C)C1CCC(C)CC1=O;CPD-4943
CC1CCC(=C(C)C)C(=O)C1;CPD-4942
CC(C)C1CCC(C)CC1O;CPD-4945
CC(C)C1CCC(C)CC1O;CPD-4944
OC(=O)CCCC=O;CPD-280
CC(C)CSCC(O)C(O)C(O)C=O;5-ISOBUTYLTHIORIBOSE
OC1C(O)C(OC1C=O)n2cnc3C(=O)NC=Nc23;CPD-328
OC1C(COC(=O)CC(=O)O)OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)cc4)C(O)C1O;CPD-7149
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(=O)C(C)C4CC3;CPD-4578
CCOP(=S)(OCC)Oc1ccc(N)cc1;AMINO-PARATHION
OCC(O)C1OC(=O)C(=O)C1O;CPD-329
COc1cc(ccc1O)C2=CC(=O)c3c(O)cc(O)cc3O2;574-TRIHYDROXY-3-METHOXYFLAVONE
CNc1ccccc1C(=O)O;CPD-402
OCC1OC(C(O)C1O)N2N=CC(=O)NC2=O;6-AZAURIDINE
CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)COP(=O)(O)O)C(=O)O;N-ACETYL-NEURAMINATE-9P
OC1CC(OC1COP(=O)(O)O)N2C=CC(=O)NC2=O;DUMP
CC(NC(C)(C)C)C(O)c1cccc(Cl)c1;CPD-3484
OCC(CO)OC1OC(CO)C(O)C(O)C1O;2-BETA-D-GLUCOSYL-SN-GLYCEROL
CC12CCC3C(CCc4cc(O)c(O)cc34)C1CCC2O;2-HYDROXY-ESTRADIOL
COc1ccc(cc1)C2=COc3cc(OC4OC(CO)C(O)C(O)C4O)ccc3C2=O;ONONIN
OC(=O)C1CSC(=N1)c2c[nH]c3ccccc23;INDOLE-CARBOXY-HYDRO-THIAZOLE
OS(=O)(=O)ON=C(S)Cc1c[nH]c2ccccc12;CPD-1881
OC(=O)c1ccccc1;BENZOATE
CC(=O)NC(CCCN(O)C(=O)C=C(C)CCO)C(=O)OCCC(=CC(=O)N(O)CCCC1NC(=O)C(CCCN(O)C(=O)C=C(C)CCO)NC1=O)C;CPD0-621
COC1=CC2=C(O)C(=COC2=CC1=O)c3ccc(O)cc3;CPD-7027
COc1ccc(cc1)C2=COc3cc(O)c(OC)cc3C2=O;CPD-7026
CC(C)CCCC(C)CCCC(C)CCCC(=CCOP(=O)(O)O)C;CPD-7025
OC1=CC=CC=CC1=O;CPD-7024
CC(C)(C(=O)c1cccnc1)c2cccnc2;CPD-7023
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C=O)C4CC3;CPD-4576
OC1COC(O)C(O)C1O;BETA-L-ARABINOSE
COC1C(O)C(O)C(O)C(OC2OC(COC3OC(CO)C(O)C(O)C3O)C(O)C(O)C2O)C1O;CPD-8049
CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)Oc3cc(OC)ccc13;CPD-6561
NC1=[NH+]C(=O)C2=C(NCC3CN(CN23)c4ccc(cc4)C(=O)NC(CCC(=O)O)C(=O)O)N1;METHYLENE-THF
OC(=O)c1cccnc1C(=O)O;QUINOLINATE
COc1ccc2N(O)C(=O)C(OC3OC(CO)C(O)C(O)C3O)Oc2c1;CPD-6562
NC(CCC(=O)NNc1ccc(CO)cc1)C(=O)O;AGARITINE
Oc1ccc(C=O)cc1[N+](=O)[O-];CPD-7368
CC(NC(C)(C)C)C(O)c1cccc(Cl)c1;CPD-3482
CC(C)C(N)CC(=O)O;CPD-2041
O=S=O;SULFUR-DIOXIDE
COc1ccc(C2COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3C2=O)c(OC)c1;CPD-4571
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN;CPD-3764
Oc1nccc2ccccc12;ISOQUINOLIN-12H-ONE
CC1=C2CCC3(C)CCC=C(C)C3CC(CC1)C2(C)C;TAXA-411-DIENE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-8510
OC1C(O)C(OP(=O)(O)O)C(O)C(O)C1OP(=O)(O)O;INOSITOL-1,4-BISPHOSPHATE
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2NC(=O)C)C1O;CHITOBIOSE
CC(O)CC(=O)O;D-3-HYDROXY-BUTYRATE
C[N+](C)(C)C(CCc1ncc(CC(N)C(=O)O)[nH]1)C(=O)N;DIPHTHAMIDE
CN1C2CCC1CC(=O)C2;TROPINONE
OCl(=O)=O;CHLORATE
OC(=O)c1ccc(O)nc1;6-HYDROXY-NICOTINATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-8516
OC(COP(=O)(O)O)C(O)C(O)C(O)CC(=O)C(=O)O;KDO-8P
NC1=Nc2c(ncn2C3OC(CO)C(O)C3O)C(=O)N1;GUANOSINE
NC=S;THIOFORMAMIDE
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7795
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7794
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7797
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC;CPD-7796
Oc1cccc(c1O)c2ccccc2;BIPHENYL-23-DIOL
OC(=S)O;CPD-8042
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7793
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7792
CC1=CC2C(CC1)C2(C)C;CPD-4901
OCc1ccc(cc1)S(=O)(=O)O;4-SULFOBENZYL-ALCOHOL
OCC(O)C(O)C(O)C(=O)O;CPD-1114
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7799
CC(=O)Oc1ccc(cc1)[N+](=O)[O-];P-NITROPHENYL-ACETATE
OCCCCCCCCCC(=O)O;10-HYDROXYDECANOATE
OC12CC3CC(C1)OC(=O)C(C3)C2;CPD-746
CC(=O)C(O)C(O)COP(=O)(O)O;DEOXYXYLULOSE-5P
CC(C)C1=CC2=CCC3C(C)(CO)CCCC3(C)C2CC1;CPD-8691
OC(=O)C=CC(=O)O;MALEATE
OCC1OC(Oc2cc3c(OC4OC(COC(=O)C=Cc5ccc(O)c(O)c5)C(O)C(O)C4O)cc(O)cc3[o+]c2c6ccc(O)cc6)C(O)C(O)C1O;CPD-7150
COc1cccc2Oc3c4C5C=COC5Oc4cc(OC)c3C(=O)c12;CPD-7157
OC1COC(O)C(O)C1O;BETA-D-XYLOSE
CC(=CCc1c(O)ccc(C2=COc3cc(O)cc(O)c3C2=O)c1O)C;CPD-6643
OCC(O)C(O)C(=O)CO;L-RIBULOSE
CCN;ETHANAMINE
COC1=C(O)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;CPD-7158
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C2CC1)C=O;CPD-8693
CC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)cc4)OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C1O;CPD1F-420
OCC(O)C(O)C(O)C(O)C(=O)O;L-GULONATE
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C2CC1)C(O)O;CPD-8692
CC(=O)NC=C(C(CO)C(=O)O)C(=O)O;2-HYDROXYMETHYL-3-ACETAMIDOMETHYLENE
OCC(=O)C(O)C(O)C(O)COP(=O)(O)O;D-ALLULOSE-6-PHOSPHATE
OC(=O)C(=CC=C1Cc2ccccc2C1=O)O;1OXO2YLIDENE
CCC[N+](=O)[O-];CPD-8127
OCc1ccccc1O;CPD-173
OC1OC(COC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O;6-O-BETA-D-XYLOPYRANOSYL
CC(C)C1=CC2=CCC3C(C)(CCCC3(C)C(=O)O)C2CC1;CPD-8694
Cc1ccc(O)c(O)c1CCC2C3CCC(=O)C3(C)CCC2=O;34-DIHYDROXY-910-SECOANDROSTA-13510
CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(C)C3CC2;CPD-8697
OC(=O)CC(=C)C(=O)O;ITACONATE
Cc1ncc(C=O)c(C(O)O)c1O;CPD-9026
NC1CCCCNC1=O;L-2-AMINO-HEXANO-6-LACTAM
OC(=O)C1CC(=O)CN1;4-OXOPROLINE
OC(=O)CCc1ccccc1O;MELILOTATE
OC(=O)c1ccc(O)cc1;4-hydroxybenzoate
CC1(C)Oc2ccc3C4Oc5cc(O)ccc5C4(O)COc3c2C=C1;GLYCEOLLIN
CCCCCCCCCC(=O)CC(=O)O;3-OXODODECANOATE
NC1C(O)OC(CO)C(O)C1O;GLUCOSAMINE
CNCCCC(=O)C1=CNC(=O)C=C1;CPD-107
NC=O;FORMAMIDE
Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3;DATP
OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O;D-MYO-INOSITOL-13-BISPHOSPHATE
NC(=S)S;DIETHYLDITHIOCARBAMATE
NCC(O)c1ccc(O)cc1;CPD-58
Cc1ccc(O)cc1O;4-METHYLRESORCINOL
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8281
c1ccc2c(c1)sc3ccccc23;CPD-942
OCCCCCC(=O)O;CPD-102
CCCCCCCCCCC(C(=O)O)C(O)(CCC(=O)O)C(=O)O;CPD-53
CCC(C)C(=O)SCCC(S)CCCCC(=O)N;CPD-941
Oc1ccccc1c2ccccc2;CPD-946
Nc1cnc[nH]1;CPD-54
CC(C)C(O)(CC(=O)O)C(=O)O;3-CARBOXY-3-HYDROXY-ISOCAPROATE
O=COCc1ccccc1;CPD-103
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C3O)C(=O)N1;GUANOSINE-5DP-3DP
NC(CO)(CO)C(=O)O;OH-CH3-SER
CC(=CCCC(=CCCC(=CCO)C)C)C;2-TRANS6-TRANS-FARNESOL
O=C1C2CC(CN3CCCCC23)C4CCCCN14;CPD-8919
[N+];CPD-8916
O=C1CCCC2C3CC(CN12)C4CCCCN4C3;CPD-8917
CNCc1c[nH]c2ccccc12;CPD-8914
O=C1CCCCCO1;CPD-101
COc1cc(CC2COC(=O)C2Cc3ccc(O)c(OC)c3)ccc1O;CPD-8912
NCc1c[nH]c2ccccc12;CPD-8913
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O;CPD-8910
COc1cc(CC2COC(O)C2Cc3ccc(O)c(OC)c3)ccc1O;CPD-8911
COc1ccc(cc1)C2C(O)Oc3cc(O)cc(O)c3C2=O;CPD-5421
CCCCCC=CCC(O)C(O)C=CC(O)CC=CCCCC(=O)O;CPD-2046
Cc1ccc(cc1)S(=O)(=O)O;4-TOLUENESULFONATE
NC(COC(=O)C=[N+]=[N-])C(=O)O;L-AZASERINE
CC(=O)NC1C(O)OC(CO)C(OS(=O)(=O)O)C1OC2OC(=CC(O)C2O)C(=O)O;4-DEOXY-BETA-ETCETERA-SULFATE
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CCCC(=O)C(=O)O)C2=O)C(=O)O;7-5-CARBOXYL-5-OXOPENTANYL-AMINOCEPHAL
OC(C=O)c1c[nH]c2ccccc12;3-INDOLYLGLYCOLALDEHYDE
N#CCc1c[nH]c2ccccc12;INDOLEYL-CPD
OCC(O)C=O;L-GLYCERALDEHYDE
COc1cc(O)ccc1C(=O)C=C(O)c2ccc(O)cc2;CPD-4302
C[N+](C)(C)CCO;CHOLINE
CC(=O)CC(N)C(=O)O;CPD-299
Oc1ccccc1C2=COc3ccccc3C2=O;2-HYDROXYISOFLAVONE
O=C1CCCCC1;CYCLOHEXANONE
OC(=O)c1ccc2ccccc2n1;QUINALDATE
CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1O;6-HYDROXYPROTOPINE
CCC(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-4143
O=C=S;CARBONYL-SULFIDE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)O)C(O)C3O)C(=O)N1;GMP
N#N;NITROGEN-MOLECULE
CC(O)(CC(=O)O)CC(=O)O;CPD-547
CCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC;CPD-7779
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC;CPD-7778
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C;SQUALENE
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(O)C1OP(=O)(O)O;CPD-6681
OCC1COP(=O)(O)O1;CPD-540
OCC(O)COP(=O)(O)OC1C(O)C(O)C(O)C(O)C1O;CPD-541
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7773
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7772
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7771
CC(C)(C)C(O)C(=Cc1ccc(Cl)cc1)n2cncn2;CPD-7770
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7777
OC1COC(=O)C(O)C1O;L-ARABINO-1-5-LACTONE
CCCCCC(O)C=CC1C(O)CC(O)C1CC=CCCCC(=O)O;5Z13E-15S-9-ALPHA11-ALPHA15-TRIHY
CC(=O)OC1CCC2(C)CC(O)C3=C(C)CCC(CC2C1=C)C3(C)C;10-BETA-HYDROXYTAXA-42011-DIEN-5-ALPH
CCCCCC=CC=CC=CCCCCCCC(=O)O;CPD-8228
CCCCC=CC=CC=CCCCCCCCC(=O)O;CPD-8229
CC(O)(C(CC(=O)O)C(=O)O)C(=O)O;CPD-618
CC(C(=O)O)C(C)(O)C(=O)O;CPD-619
FC(Cl)(Cl)Cl;CPD-8224
Cl[C-2]Cl;CPD-8225
CCC(C)C(O)C(C)C(=O)C(C)C=C(C)CC(C)C1OC(=O)C1CC;CPD-8226
OC(=O)c1ccc(Cl)cc1;CPD-615
CC(=O)CC(=O)C(=O)O;CPD-612
OC(=O)C(=O)C=CCC(=O)c1ccccc1;CPD-613
OP1(=O)OP(=O)(O)OP(=O)(O)O1;CPD-610
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)OP(=O)(O)O)c2C)c(N)n1;CPD-611
CC1=CC(C)(CCC1)C2(C)CCCC2=C;TRICHODIENE-CPD
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O;TAUROLITHOCHOLATE-SULFATE
CC(=CCCC(=CCCC(=CC=O)C)C)C;2-TRANS6-TRANS-FARNESAL
CN1Cc2c3OCOc3cc(O)c2c4ccc5cc6OCOc6cc5c14;10-HYDROXYDIHYDROSANGUINARINE
CC(=O)OC1CC2(C)C3CC=C4C(C=C(OC(=O)C)C(OC(=O)C)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(=O)C=CC(C)(C)O;CPD-5321
OCC(O)C(O)C(O)C(O)CO;GALACTITOL
OCC1OC(OC2OC=C(C(CC=O)C2C=C)C(=O)O)C(O)C(O)C1O;SECOLOGANATE
OCC1OC(OP(=O)(O)O)C(O)C1O;RIBOSE-1P
CC1C(=O)NC(=O)NC1=O;5-METHYL-BARBITURATE
OCC1OC(Oc2ccc3C(=O)C=C(Oc3c2)c4ccccc4)C(O)C(O)C1O;CPD-8144
OC(=O)CCCCCCCC=CCC=O;12-OXO-CIS-9-DODECENOATE
CC12CCC3C(CCc4cc(OS(=O)(=O)O)ccc34)C1CCC2=O;ESTRONE-SULFATE
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C(=C5CCC(=O)O)C)c(C)c4CCC(=O)O)c(C)c3CCC(=O)O;COPROPORPHYRIN_III
NC1=NC(=O)N(C=C1CO)C2CC(O)C(COP(=O)(O)O)O2;DEOXY-HYDROXYMETHYLCYTIDINE-PHOSPHATE
OCC1OC(O)C(O)C(O)C1O;IDOSE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(C(O)CO)C(O)C(O)C4O)C(O)C3O;ADP-D-GLYCERO-D-MANNO-HEPTOSE
OC(=O)CCCCC1C2NC(=O)NC2CS1=O;CPD-722
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)C(O)CC4(C)C3CCC12C;CPD-723
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-720
COc1cc(cc(O)c1O)C(=O)O;CPD-721
NC(CCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23)C(=O)O;ADENOSYL-HOMO-CYS
CCC=CCC(OO)C=CC=CCCCCCCCC(=O)O;CPD-725
CCOC(=O)N;URETHAN
CCC=CCC1OC1=CC=CCCCCCCCC(=O)O;CPD-728
CCC=CCC1C(CCCCCCCC(=O)O)C=CC1=O;CPD-729
CC(=O)C;ACETONE
OC1C(O)C(COP(=O)(O)O)OC(OP(=O)(O)O)C1O;ALPHA-GLUCOSE-16-BISPHOSPHATE
CC(N)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)O;ALA-GLY-ALA-GLY
CN1CCCC1c2ccc(O)nc2;CPD-125
NC(=O)C(=Cc1oc(cc1)[N+](=O)O)c2occc2;Z-2-2-FURYL-3-5-NITRO-2-FURYLACRYL
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(=O)C(=C(C)C1=O)C)C)C)C)C)C)C)C)C)C;PLASTOQUINONE
CCn1cnc2c(N)ncnc12;1-ETHYLADENINE
CN;NH2-
O=C1NC(=O)C(=O)N1;CPD-3685
Oc1ccc(O)c(O)c1;CPD-8130
COC(=O)C=C(C)C(=O)OC;DIMETHYL-CITRACONATE
Sc1ccccc1;CPD-8132
C[N+](=O)[O-];CPD-8133
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-8134
CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-8135
Oc1ccc2OC(=CC(=O)c2c1)c3ccccc3;CPD-8138
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)C1=O;GDP-4-DEHYDRO-6-L-DEOXYGALACTOSE
CCCCCC=CCC=O;CPD-8684
CCC=CCC=CCC=O;CPD-8685
CCC=CCC=CC=C1OC1CCCCCCCC(=O)O;CPD-8682
CCCCCC=CCC(=O)C(O)CCCCCCCC(=O)O;CPD-8683
CCC=CCC=CC=COC=CCCCCCCC(=O)O;CPD-8680
CCCCCC=CC=C1OC1CCCCCCCC(=O)O;CPD-8681
CC=C(CCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-4127
CC=C(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-4126
CC=C(CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-4125
CC=C(CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C)C(C)C;CPD-4124
COc1ccc2C3COc4cc(OC5OC(COC(=O)CC(=O)O)C(O)C(O)C5O)ccc4C3Oc2c1;CPD-4123
COc1ccc2C3COc4cc(OC5OC(CO)C(O)C(O)C5O)ccc4C3Oc2c1;CPD-4122
NC(=O)c1ccc[n+](c1)C2OC(CO)C(O)C2O;CPD-7230
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-6661
OC1=CC(=O)OC(=C1)C=Cc2ccc(O)cc2;CPD-6956
OC1C(O)C(OP(=O)(O)O)OC(C1O)C(=O)O;CPD-501
CC1(C)C2CC3C(C2)C13C;CPD-4902
NC(CCC(=O)NC(CS)C(=O)O)C(=O)O;L-GAMMA-GLUTAMYLCYSTEINE
C1Oc2cc3CCN4Cc5c(CC4c3cc2O1)ccc6OCOc56;S-STYLOPINE
C(C1NCCc2ccccc12)c3ccccc3;RS-TETRAHYDROBENZYLISOQUINOLINE
CC12CCC(O)C(C)(C1C(C(=O)O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD-6228
OCC1OC(Oc2cc(O)cc3[o+]c(c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc23)c6ccc(O)c(O)c6)C(O)C(O)C1O;CPD-7714
CC1(C(O)C(O)CC2(C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD-6226
CC12CCC(O)C(C)(C1C(C=O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD-6227
CC12C(O)C(O)CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6224
CC1(C(O)CCC2(C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD-6225
CC1(C(O)C(O)CC2(C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD-6222
CC1(CC(O)CC2(C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD-6223
CC1(C(O)CCC2(C3CCC4CC3(CC4=C)C(C12)C(=O)O)C(=O)O)C(=O)O;CPD-6221
CC1CCC(C2C=C(C)CCC12)C(=C)C=O;CPD-7557
CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)COC(=O)C)C(=O)O;N-ACETYL-9-O-ACETYLNEURAMINATE
Cc1cccc(CC(CC(=O)O)C(=O)O)c1;3-METHYLBENZYLSUCCINATE
OCC(CC=O)C(=O)O;2-HYDROXYMETHYL-4-OXOBUTANOATE
CC1=CC2=C(NC1=O)C=CC(O)C2O;CPD-981
C[N+](C)(C)CCOP(=O)(O)OCC(O)CO;L-1-GLYCERO-PHOSPHORYLCHOLINE
CC(C)(CO)C(O)C(=O)NCCC(=O)NC(CS)C(=O)O;CPD-46
OCC1OC(=O)C(O)C(O)C1O;GLUCAROLACTONE
CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7801
Cc1ncc(CO)c(C=O)c1O;PYRIDOXAL
OC1OC(=CC(=C1)C(=O)O)C(=O)O;CPD-2542
CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN;CPD-8354
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN;CPD-8355
CCCCCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCNC;CPD-8356
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN;CPD-8357
OC1C(O)C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C1O;CPD-6783
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCCN;CPD-8353
OCC(=O)C(O)C(O)C(O)C(=O)O;D-TAGATURONATE
NC(Cn1cccn1)C(=O)O;CPD-670
OC1C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;CPD-6782
NCC(O)CC(=O)C(=O)O;2-KETO-4-HYDROXY-5-AMINO-VALERATE
Oc1cccc2Oc3c4C5C=COC5Oc4cc(O)c3C(=O)c12;6-DEMETHYLSTERIGMATOCYSTIN
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2O;TESTOSTERONE
OC(=O)c1ccnc2ccccc12;QUINOLINE-4-CARBOXYLATE
OCC1OC(Oc2cc(O)cc(C=Cc3ccc(O)cc3)c2)C(O)C(O)C1O;CPD-6958
OCC(O)C(O)C(O)CC(=O)O;DE-O-GLUCONATE
SC#N;HSCN
NC(CC(O)C=O)C(=O)O;L-4-HYDROXYGLUTAMATE_SEMIALDEHYDE
Oc1ccc2C(=O)c3ccccc3C(=O)c2c1O;ALIZARIN
COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1;CPD-6959
CCC12C=CCN3CCC4(C13)C(N(C)c5cc(OC)ccc45)C(O)(C2O)C(=O)OC;17-O-DEACETYLVINDOLINE
OC(COP(=O)(O)O)C(O)C(O)C(O)C(=O)O;CPD-2961
CC(N)C(N)CCCCCC(=O)O;DIAMINONONANOATE
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)OC3OC(CO)C(O)C(O)C3O)O2)C(=O)NC1=O;DTDP-D-GALACTOSE
OC(=O)C(=O)CSc1ccc(Br)cc1;S-4-BROMOPHENYL-MERCAPTOPYRUVATE
OC(=O)CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O;INDOLE-3-ACETYL-ASP
CSCC(N)C(=O)O;S-METHYL-L-CYSTEINE
OCC1OC(Oc2ccc3OC(=CC(=O)c3c2)c4ccccc4)C(O)C(O)C1O;CPD-8143
ClC(=C(Cl)Cl)Cl;TETRACHLOROETHENE
CC(O)C(N)C(=O)O;L-ALLO-THREONINE
OC(C(O)C(O)C(=O)O)C(O)C(=O)O;D-GALACTARATE
CC1=CC(=O)c2c(O)cc(O)cc2O1;CPD-0
OC(=O)CI;IODOACETATE
OCC(=O)C(=O)O;OH-PYR
NC(=O)Cc1ccccc1;PHENYLACETAMIDE
CCCCCN;CPD-3681
OCc1ccc(O)cc1;4-HYDROXY-BENZYL-ALCOHOL
CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C=CC=C(C)C=CC(=O)O;CPD-7971
Clc1cccc(NN=C(C#N)C#N)c1;CPD-7970
COC(=O)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)OC)C)C;CPD-7973
COC(=O)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC(=O)O)C)C;CPD-7972
CCCCCCCC1=CC(=O)c2ccccc2N1O;CPD-7975
CNCC1=CN(C2OC(CO)C(O)C2O)C(=S)NC1=O;5-METHYLAMINOMETHYL-2-THIOURIDINE
CC(=CCCC(=CCO)C)CO;CPD-7979
CC(=CCCC(=CCO)C)C;CPD-7978
CCCCCCCCCCCCCCCC(=O)C(N)CO;DEHYDROSPHINGANINE
C#N;HCN
CC(O)C(O)C1CNC2=NC(=NC(=O)C2(O)N1)N;CPD-5881
CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23;CORTISONE
COc1cc(C=CC(=O)O)cc(OC)c1O;SINAPATE
CC1(C)Oc2cc3OCC4(O)C(Oc5cc(O)ccc45)c3cc2C=C1;CPD-4406
NCCS(=O)(=O)O;TAURINE
NC(=O)C(=O)O;OXAMATE
OC(=O)CC(Cc1ccccc1)C(=O)O;BENZYLSUCCINATE
COc1cc2OCOc2c3CN(C)c4c(ccc5cc6OCOc6cc45)c13;DIHYDROCHELIRUBINE
CCC(O)(C(=O)C)C(=O)O;2-ACETO-2-HYDROXY-BUTYRATE
Clc1ccccc1C(c2ccccc2)(c3ccccc3)n4ccnc4;CPD-8926
CC12CCC(=O)C=C1CCC3C2CCC4(C)C3CCC4(O)C(=O)CO;11-DEOXY-CORTISOL
CCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8344
OC(=O)C1CCCC(=N1)C(=O)O;DELTA{1}-PIPERIDEINE-2-6-DICARBOXYLATE
OC1C(O)C(COP(=O)(O)O)OC(=O)C1O;D-6-P-GLUCONO-DELTA-LACTONE
CC(C)C(=C)CC=C(C)C=O;Z-2-METHYL-5-ISOPROPYLHEXA-25-DIENAL
CC(=O)C=CC1(O)C(=CC(=O)CC1(C)C)C;--6-HYDROXY-3-OXO-ALPHA-IONONE
NCC(=O)COP(=O)(O)O;1-AMINO-PROPAN-2-ONE-3-PHOSPHATE
OC(=O)C1CSSC1;ASPARAGUSATE
Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3;CPD-6991
OC1C(Oc2cc(O)cc(O)c2C1=O)c3ccccc3;CPD-6992
S;S8
Oc1cc(O)c2C(=O)CC(Oc2c1)c3ccc(O)c(O)c3;CPD-6994
OCC(O)C(O)CO;CPD-6995
Oc1ccc(cc1)C2CC(=O)c3cc(O)c(O)cc3O2;CPD-6996
OC1Oc2cc(O)c(O)cc2C(=O)C1c3ccc(O)cc3;CPD-6997
Oc1ccc(cc1)C2=COc3cc(O)c(O)cc3C2=O;CPD-6998
CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C=O)c1;CPD-8724
OC(Cc1cc(I)c(O)c(I)c1)C(=O)O;DIIODO-HYDROXYPHENYL-LACTATE
NCC(=O)CCC(=O)O;5-AMINO-LEVULINATE
CC(C)CCC=O;4-METHYLPENTANAL
OCC1OC(CC1O)N2C=CC(=O)NC2=O;DEOXYURIDINE
c1cn[nH]c1;PYRAZOLE
c1cncnc1;PYRIMIDINE-RING
OC(=O)CN(CCN(CC(=O)O)CC(=O)O)CC(=O)O;ETHYLENEDIAMINETETRAACETATE
OC(=O)CC=CC(=O)O;GLUTACONATE
CC(=CCNc1ncnc2[nH]cnc12)CO;CPD-4441
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)CO;CPD-4442
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)CO;CPD-4443
CC(CNC(=O)N)C(=O)O;3-UREIDO-ISOBUTYRATE
NC(=N)NCC(=O)O;GUANIDOACETIC_ACID
NO;NH4OH
NC(CCOc1ccc(cc1)C(=NO)C(=O)NC2CN(C(C(=O)O)c3ccc(O)cc3)C2=O)C(=O)O;NOCARDICIN-A
CN(C)C1C2CC3=C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(=C1O)C(=O)N;12-DEHYDROTETRACYCLINE
OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O;CPD-1790
ON=C(C(=O)NC1CN(C(C(=O)O)c2ccc(O)cc2)C1=O)c3ccc(O)cc3;NOCARDICIN-E
NC(CC=O)C(=O)O;L-ASPARTATE-SEMIALDEHYDE
NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)OCc3ccccc3)cc2;CETRAXATE-BENZYL-ESTER
CCCCCC=CCC=CCC=CCC=CCCCC(=O)O;ARACHIDONIC_ACID
CC1=CCCC(=C)C=CC(C)(C)CCC1;CPD-8730
[C-2]=N;IMINO-GROUP
OCC(O)C(=O)CO;D-ERYTHRULOSE
Cc1cc(O)c2C(=O)c3c(O)cc(O)cc3C(=O)c2c1;CPD-8215
OCC1OC(Oc2cc(O)cc(O)c2C(=O)C=Cc3ccc(O)cc3)C(O)C(O)C1O;CPD-8062
CC(C)C(=C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;ergosta-5,7,22,23-(28)-tetraen-3-beta-ol
Oc1ccccc1CNc2ncnc3NCNc23;CPD-6161
[O-][N+](=O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-];TETRANITROMETHANE
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC;CPD-7827
OC(C#N)c1ccccc1;MANDELONITRILE
OCC1OC(O)C(O)C1O;RIBOSE
NCCCC(=O)O;4-AMINO-BUTYRATE
OC1OC(COS(=O)(=O)O)C(O)C(OC2OC(C(O)C(O)C2O)C(=O)O)C1NS(=O)(=O)O;CPD-8530
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O)c2cc1C;FMN
OC1C(O)C(OC1COP(=O)(O)O)N2CCC(=O)NC2=O;A-24-DIOXOTETRAHYDROPYRIMIDINE-D-RIBONU
OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O;URIDINE
OC(=O)CC(OP(=O)(O)O)C(=O)O;S-PHOSPHOMALATE
CC1C2C(CC3C4CC=C5CC(O)CCC5(C)C4CCC23C)OC16CCC(C)(CO)O6;20S22S25S-2225-EPOXYFUROST
OCC1OC(Oc2cc(CC(OC(=O)C=Cc3ccc(O)c(O)c3)C(=O)O)ccc2O)C(O)C(O)C1O;CPD-7018
COC1C(O)C(O)C(O)C(O)C1O;CPD-8063
NCC(=O)N;GLYCINAMIDE
OC1COC(O)C(O)C1O;L-LYXOSE
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCC;CPD-7826
CC1CC(=O)C=C(CO)C12CCC(C2)C(=C)C;CPD-4741
OC1=C(Oc2c(O)c(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;334578-HEXAHYDROXYFLAVONE
CC(N)C(=O)NC(CCC(=O)O)C(=O)NC(CCCC(N)C(=O)O)C(=O)O;L-ALA-GAMMA-D-GLU-DAP
NC1=Nc2c(ncn2C3CC(O)C(CO)O3)C(=O)N1;DEOXYGUANOSINE
OC(=O)c1cccc(n1)C(=O)O;CPD-4841
CCCSc1ccc2nc(NC(=O)OC)[nH]c2c1;ALBENDAZOLE
OC(=O)C=C;ACRYLATE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C)C;SOLANYL-PYROPHOSPHATE
CC(O)C=CC1(O)C(=CC(=O)CC1(C)C)C;--6-HYDROXY-3-OXO-ALPHA-IONOL
NCCCCNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O;GLUTATHIONYLSPERMIDINE
COc1cc(O)c2C(=O)c3c(OC)cc4OC5OC=CC5c4c3Oc2c1OC;CPD-4591
CC(C)(CO)C(O)C(=O)NCCCO;PANTOTHENOL
NC(=O)CC(O)C(=O)O;2-HYDROXYSUCCINAMATE
CN1C=Nc2c(ncn2C3OC(CO)C(O)C3O)C1=N;1-METHYLADENOSINE
Oc1cc(Cl)cc(Cl)c1O;35-DICHLOROCATECHOL
OC(=O)C(=O)Cc1c(F)cc(O)cc1F;26-DIFLUORO-4-HYDROXYPHENYLPYRUVATE
C[N+](C)(C)C(CCc1ncc(CC(N)C(=O)O)[nH]1)C(=O)O;DIPHTINE
NCCCCCCCCN;18-DIAMINOOCTANE
OC1C(O)C(CS(=O)(=O)O)OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C1O;UDP-SULFOQUINOVOSE
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS;4-P-PANTHETHEINE
Cc1cccc(C)c1;META-XYLENE
C#N;CPD-7082
CC(=O)NCCCCC(=O)C(=O)O;2-KETO-6-ACETAMIDOCAPROATE
OC1C(O)C(O)C(O)C(O)C1O;CPD-8061
CC(N)CC(=O)O;CPD-4748
CNC1=NC(=O)C(O1)C(C)c2c[nH]c3ccccc23;CPD0-920
CC12CCC(O)CC1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23;UROCORTISOL
CC(C)C(C(=O)O)C(=O)C(=O)O;CPD-7100
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)O;CPD-7166
OC1C(O)C(OP(=O)(O)O)C(O)C(O)C1NC(=N)[N+];CPD-7167
CCC12CC(=C3Nc4cc(OC)ccc4C35CCN(CC=C1)C25)C(=O)OC;CPD-7164
CC1OC(OC2C(O)C(O)C(OC2Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)cc5)C(=O)O)C(O)C(O)C1O;APIGENIN-7-O-NEOHESPERIDOSIDE
Cc1ccccc1[N+](=O)[O-];2-NITROTOLUENE
COC(=O)CCC(=O)O;CPD-3572
COC(=O)C=Cc1ccccc1;CPD-6421
CC(CCOP(=O)(O)O)(CC(=O)O)OP(=O)(O)O;MEVALONATE-DP
NC(=N)NC1C(O)C(O)C(O)C(O)C1O;CPD-7168
CCCCCc1cc2OC(C)(C)C3CCC(=CC3c2c(O)c1C(=O)O)C;CPD-7169
NC(CN1C=CC(=O)C(=C1)O)C(=O)O;MIMOSINE
CCCCCC(=O)C=CC1C(O)CC(=O)C1CCCCCCC(=O)O;13E-11-ALPHA-HYDROXY-915-DIOXOPROST-1
NC(CC(=C)Cl)C(=O)O;CPD-680
OCC(O)C(O)C(O)CO;L-ARABITOL
OCC1OC(OC2(COC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;F-BETA-D-FRUCTOSYLSUCROSE
OC(=O)CCC(=CC(=O)O)C(=O)O;HOMO-CIS-ACONITATE
CCCCCC(=O)C=CC1C(CC=CCCCC(=O)O)C(O)CC1=O;5Z13E-9-ALPHA-HYDROXY-1115-DIOXOPROS
CC(C)C(=C)CCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)CC4CC3;FECOSTEROL
CN(CC(=O)O)C(=N)N;CREATINE
CC1(CC(=O)O)OC(=O)C=C1;4-CARBOXYMETHYL-4-METHYLBUT-2-EN-14-OLI
Nc1nc(O)c(NC=O)c(NC2OC(COP(=O)(O)O)C(O)C2O)n1;2-AMINO-5-FORMYLAMINO-6-HYDROXY-4-5-PHO
CC(C)C(=C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;CPD-700
N#CSCc1ccccc1;CPD-65
OC(C(=O)O)C(=O)C(=O)O;CPD-66
OC(=O)COP(=O)(O)O;CPD-67
OCC1OC(OC2C(O)C(O)C(CO)OC2OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)cc5)C(O)C(O)C1O;CPD-8067
CC(C(=O)O)C(C)(O)C(=O)O;CPD-61
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OC(=O)c4cccc(O)c4O)C(O)C3O;CPD-62
COc1cc(C=CCO)cc(OC)c1OC2OC(CO)C(O)C(O)C2O;CPD-63
CNCC(O)c1ccc(O)cc1;1-4-HYDROXYPHENYL-2-METHYLAMINOETHAN
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O;ADP-GROUP
CC1(C)SC2C(N)C(=O)N2C1C(=O)O;6-AMINOPENICILLANATE
OC#N;CPD-69
CCCC(N)C(=O)O;L-2-AMINOPENTANOIC-ACID
CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2O;ANDROSTAN-3-ALPHA17-BETA-DIOL
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O;UDP
NC(=O)C(=Cc1oc(cc1)[N+](=O)O)c2occc2;CPD-2204
CCCCCC=CCCCCCCCCCCCCCCCCCCC=O;CPD-7889
OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O;TAGATOSE-1-6-DIPHOSPHATE
C[N+](C)(C)CCCC=O;4-TRIMETHYLAMMONIOBUTANAL
COc1c(Cl)cc(Cl)cc1Cl;TRICHLOROANISOLE
CNCC(=O)O;SARCOSINE
OCC(O)COP(=O)(O)OCC(O)CO;GLYCEROPHOSPHOGLYCEROL
ClC(=S)Cl;CPD-8213
CC(C)C12CCC(C)(O)C1C2;CPD-682
OCC(O)C(O)C(O)C(=O)O;CPD-8902
COc1cc(ccc1O)C2OCC3C2COC3c4ccc(O)c(OC)c4;CPD-8905
OC(CC(=O)O)C(=O)O;CPD-8904
COc1cc(CC2COC(C2CO)c3ccc(O)c(OC)c3)ccc1O;CPD-8907
Nc1nc(O)c2N=C(CO)CNc2n1;AMINO-HYDROXY-METHYL-DIHYDROPTERIDIN
COc1cc(CC(CO)C(CO)Cc2ccc(O)c(OC)c2)ccc1O;CPD-8909
COc1cc(CC2COC(C2CO)c3ccc(O)c(OC)c3)ccc1O;CPD-8908
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC;CPD-7821
OCC1OC(O)(COP(=O)(O)O)C(O)C1O;FRU1P
CC(C1CCC(C)C2CCC(C)(OO)C=C12)C(=O)O;CPD-7560
COc1ccc(CC2N(C)CCc3cc(OC)c(O)cc23)cc1O;S-RETICULINE
NC1=NC2=C(N=C(CO)CN2)C(=O)N1;AMINO-OH-HYDROXYMETHYL-DIHYDROPTERIDINE
OC(=O)C1CCC=N1;l-delta(1)-pyrroline_5-carboxylate
CC(=O)C=O;METHYL-GLYOXAL
C[N+](=NCO)[O-];CPD-2421
OCC1OC(OCC(O)COP(=O)(O)O)C(O)C(O)C1O;CPD-449
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;CPD-448
Nc1c[nH]cn1;AMINO-IMIDAZOLE
NCCCCNC(=N)N;AGMATHINE
CSCC1OC(OP(=O)(O)O)C(O)C1O;CPD-444
OC1C(O)C(OC1COP(=O)(O)O)N2C(=O)NC3=C2NC(=O)NC3=O;CPD-443
COc1cc(C=CC(=O)NCCc2ccc(O)cc2)ccc1O;CPD-440
NC(Cc1ccc(O)c(F)c1)C(=O)O;CPD0-923
[O-][N+](=O)[O-];NITRATE
OC(=O)CCC1NC(=O)NC1=O;HYDANTOIN-5-PROPIONATE
OCC1OC2(COC3(CO2)OC(CO)C(O)C3O)C(O)C1O;ALPHA-D-FRUCTOFURANOSE-BETA-D-FRUCTO
COP(=S)(OC)Oc1ccc(cc1)[N+](=O)O;CPD-8973
OC(COP(=O)(O)O)C=O;GAP
OCC(=O)C(O)C(O)COP(=O)(O)O;XYLULOSE-5-PHOSPHATE
OC1C(O)C(OC2C(O)C(O)C(OC2Oc3cc(O)c4C(=O)C=C(Oc4c3)c5ccc(O)c(O)c5)C(=O)O)OC(C1O)C(=O)O;LUTEOLIN-7-O-BETA-D-DIGLUCURONIDE
ClC(Cl)Cl;CPD-843
ClC(Cl)(Cl)Cl;CPD-842
OCC(O)COP(=O)(O)O;SN-GLYCERYL-PHOSPHATE
S;CPD-846
CCl;CPD-845
S=C=S;CPD-844
CC(=O)O;ACET
OC(CC(=O)C(=O)O)C(=O)O;D-4-HYDROXY-2-KETO-GLUTARATE
CC(C)(CO)C(O)C(=O)NCCC(=O)NCCS;PANTHETHEINE
NCCCC(N)C(=O)O;25-DIAMINOPENTANOATE
CC(=CC(=CC(=O)O)O)O;TRIACETATE
CC=C1C(C)C(=O)NC1=Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)C=C)C(=C3CCC(=O)O)C)c(CCC(=O)O)c2C;3Z-PHYTOCHROMOBILIN
OCC=Cc1ccccc1;CINNAMYL-ALC
OCC(O)C(O)C(O)C(=O)COP(=O)(O)O;CPD-531
OS(=O)(=O)O;CPD-530
OCC(CO)OP(=O)(O)O;CPD-536
OCC1(OP(=O)(O)O)OC(COP(=O)(O)O)C(O)C1O;CPD-535
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-534
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)O;N-ACETYL-D-GLUCOSAMINE-1-P
OCC1OC(OCC2OC(OC(C#N)c3ccccc3)C(O)C(O)C2O)C(O)C(O)C1O;CPD-1125
NCCOP(=O)(O)OCC(N)C(=O)O;CPD-538
NC(CCC(=O)C=[N+]=[N-])C(=O)O;6-DIAZO-5-OXO-L-NORLEUCINE
CC(CCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;CHOLATE
CC(C)CC(NC(=O)C(=O)c1ccccc1)C(=O)O;CPD-199
COc1cc2CCN(C)C(Cc3ccc(O)c(O)c3)c2cc1O;3-HYDROXY-N-METHYL-S-COCLAURINE
OCC(C(=O)O)c1ccccc1;TROPATE
OC(=O)COC(CC(=O)O)C(=O)O;CPD-668
OCC1(O)OC(COP(=O)(O)O)C(O)C1O;L-TAGATOSE-6-PHOSPHATE
CC(=CCCC(=CCCC(=C)C=C)C)C;CPD-8239
CC(C)C(=C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;57222428-ERGOSTATETRAENOL
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C(O)C1=O;CPD-663
CC1=CCC2(C)CCCC(C)(C)C23CC13;CPD-8236
OC(=O)C#C;CPD-661
CC(C)CC(NC(CCCNC(=N)N)C=O)C(=O)NC(=O)C(CC(C)C)NC(=O)C;LEUPEPTIN
CCCCCCCC(=O)O;CPD-195
OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-];CPD-194
CCC=O;CPD-665
OC1CCNC1C(=O)O;CPD-664
NC(CCC(=O)NC(CSCO)C(=O)NCC(=O)O)C(=O)O;S-HYDROXYMETHYLGLUTATHIONE
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)C;CPD-4207
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)CO;CPD-4204
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)C;CPD-4205
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)CO;CPD-4202
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)C;CPD-4203
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)C;CPD-4201
OC1COC(O)C(O)C1O;D-ARABINOSE
OCCO;GLYCOL
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C3O)CO;CPD-4208
CC(=CCNc1ncnc2nc[nH]c12)C;CPD-4209
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7763
OCC1OC(O)CC(O)C1O;2-DEOXY-D-GLUCOSE
ONc1ccc(cc1)C(=O)O;CPD-705
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O)C;CPD-4603
CCC=CCC=O;CIS-3-HEXENAL
CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCCCC;CPD-7764
CC(=CCNc1ncnc2[nH]cnc12)COC3OC(CO)C(O)C(O)C3O;O-BETA-D-GLUCOSYL-CIS-ZEATIN
COc1ccc(CC2=[N+](C)CCc3cc(OC)c(O)cc23)cc1O;12-DEHYDRORETICULINIUM
Cc1ccccc1C;CPD-1421
C[S+](CCC(N)C(=O)O)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23;S-ADENOSYLMETHIONINE
COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c24)C3=CC1OC(=O)C;7-O-ACETYLSALUTARIDINOL
OCC1OC(OC2(CC(=O)NC(CC(=O)O)C(=O)O)C(=O)Nc3ccccc23)C(O)C(O)C1O;3-O-BETA-GLUCOSYL-2-OXINDOLE-3-ACETYL-
Oc1cc(Cl)c(O)c(Cl)c1;26-DICHLORO-P-HYDROQUINONE
NN;HYDRAZINE
CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2O;DIGLUCO-DOCOSANOATE
OC1C=CC=CC1O;CPD-289
OC1C=CC=CC1O;CPD-288
O=C1CCCCCNC(=O)CCCCCN1;18-DIAZACYCLOTETRADECANE-29-DIONE
OC(C(CCCC(=O)O)C(=O)O)C(=O)O;CPD-285
OC(=O)CCc1cccc(O)c1;3-HYDROXYPHENYL-PROPIONATE
CC12CCC(=O)[CH]C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23;CPD-287
CC12CCC(=O)[CH]C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(=O)C23;CPD-286
CC1(CO)CCCC2(C)C1CCC34CC(CCC23)C(=C)C4;ENT-KAUR-16-EN-19-OL
CCCCCCCCO;OCTANOL
OC(=O)C1=CNC(=O)CC1;CPD-283
OCC1OC(CO)(OP(=O)(O)O)C(O)C1O;FRUCTOSE-2-PHOSPHATE
CN1CCc2cc3OCOc3cc2C(=O)Cc4ccc5OCOc5c4C1;PROTOPINE
OC(=O)CNC(=O)c1cccc(Cl)c1;CPD-3487
OC(=O)c1cccc(Cl)c1;CPD-3486
CC(NC(C)(C)C)C(=O)c1cccc(Cl)c1;CPD-3481
NC1CCCCNC1=O;D-2-AMINO-HEXANO-6-LACTAM
CC(NC(C)(C)CO)C(=O)c1cccc(Cl)c1;CPD-3483
OC1C(COC(=O)CC(=O)O)OC(Oc2ccc3C(=O)C=C(Oc3c2)c4ccccc4)C(O)C1O;CPD-8153
CC(=O)NCCCNCCCCNCCCN;N1-ACETYLSPERMINE
CC(=O)NC1C(O)CC(O)(OC1C(O)C(O)COC(=O)C)C(=O)O;N-ACETYL-O-ACETYLNEURAMINATE
CCOC(=O)C(C)C(C)O;ETHYL-2R-METHYL-3S-HYDROXYBUTANOATE
OCC(O)C(O)C(O)C(O)C(=O)O;D-MANNONATE
ONC(Cc1ccc(O)cc1)C(=O)O;CPD-267
CC(C)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C;CPD-266
NC(CCCCNO)C(=O)O;CPD-265
NC(=O)NC(NC(=O)N)C(=O)O;ALLANTOATE
CC(=C)C1CCC(=CC1O)C;CPD-263
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OCC(O)C(O)C3OC(O)(CC(O)C3NC(=O)CO)C(=O)O)C(O)C2O;CPD-262
CC(=C)C1CCC(=CC1)CO;CPD-261
CC(=C)C1CC=C(C)C(O)C1;CPD-260
CC1(C)CCCC2(C)C3CCC(C)(CC3=CCC12)C=C;CPD-8699
COc1cc(ccc1[n+]2nc(nn2c3ccc(cc3)[N+](=O)[O-])c4ccccc4)c5ccc(c(OC)c5)[n+]6nc(nn6c7ccc(cc7)[N+](=O)[O-])c8ccccc8;CPD-8129
OCC(O)C(O)C(O)C(O)CO;IDITOL
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)CC(O)CC2(C)C;CPD-7861
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OS(=O)(=O)O)C(OP(=O)(O)O)C3O;PAPS
OC1C(O)C(O)C2OP(=O)(O)OC2C1O;CPD-1121
CC(=CCCC(=CCCC(=CC1C(COP(=O)(O)OP(=O)(O)O)C1(C)CCC=C(C)CCC=C(C)C)C)C)C;CPD-465
OC(=O)CC1(O)C(=O)Nc2ccccc12;DIOXINDOLE-3-ACETATE
CC1=C2C(=Cc3cccc(O)c3C2=O)CC(CC(=O)O)O1;CPD1A0-6111
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CPD-7860
CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2=O;CPD1A0-6117
CCCCCCCCOC1OC(CO)C(O)C(O)C1O;CPD0-1050
NC(CC(C(=O)O)C(=O)O)C(=O)O;1-CARBOXYGLUTAMIC_ACID
CC(=O)Nc1ccc2c(Cc3ccccc23)c1;2-ACETAMIDOFLUORENE
OCC(=O)C(O)C(O)C(=O)C(=O)O;25-DIDEHYDRO-D-GLUCONATE
CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)c(C)ccc3C2=O;CPD1A0-6119
O[N+](=O)[O-];AGNO3
OC1C(COC(=O)C=Cc2ccc(O)cc2)OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)C(O)C1O;CPD-7866
CC(CO)[N+](=O)[O-];CPD-8150
CC1CO1;S-12-EPOXYPROPANE
Oc1cccc(C=O)c1;3-OH-BENZALDEHYDE
COC1=C(C(=O)O)C(=O)N(C)C=C1;3-CARBOXY-4-METHOXY-N-METHYL-2-PYRIDONE
Oc1cccc(CNc2ncnc3NCNc23)c1;M-TOPOLIN
OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O;ALPHABETA-TREHALOSE
C[N+](C)(C)CC(O)CC(=O)O;CARNITINE
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8253
OC1CCCCC(=O)O1;6-HYDROXYHEXAN-6-OLIDE
N=N#N;CPD-2841
OS(=O)(=O)O;CUSO4
OCC1OC(OCC2OC(OCC3OC(OC4C(O)C(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8255
CC1(C)COC(=O)C1=O;2-DEHYDROPANTOYL-LACTONE
CNC(=O)CCC(N)C(=O)O;N5-METHYLGLUTAMINE
OC(=O)CC(O)(C(F)C(=O)O)C(=O)O;FLUORO-CITRATE
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2C(O)C=O;20-HYDROXY-3-OXOPREGN-4-EN-21-AL
CCCCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8345
Cc1ccc2cc[nH]c2c1;6-METHYL-INDOLE
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8343
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8257
COP(=O)(O)OCCNC(=N)N;GUANIDINOETHYL-METHYL-PHOSPHATE
OCc1ccc(cc1)C(=O)O;4-CARBOXYBENZYL-ALCOHOL
OC(COP(=O)(O)O)C(O)CC(=O)C(=O)O;2-KETO-3-DEOXY-6-P-GLUCONATE
COC(=O)CC(=CC(=O)O)C(=O)O;E-2-METHOXYCARBONYLMETHYLBUTENEDIOAT
OCC1OC(OCC2OC(OC3C(O)C(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8256
CC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)c(O)c4)OC5OC(CO)C(O)C(O)C5O)C(O)C(O)C1O;CPD-5521
CC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)c(O)c4)OC5OC(COC6OC(CO)C(O)C(O)C6O)C(O)C(O)C5O)C(O)C(O)C1O;CPD-5522
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8348
NC(CCCNC(=N)NC(CC(=O)O)C(=O)O)C(=O)O;L-ARGININO-SUCCINATE
NCCS;CPD-239
OP(=O)(O)NC(=N)NCCS(=O)(=O)O;N-PHOSPHOTAUROCYAMINE
CC(=C)C1CCC(=CC1)C;CPD-8785
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2nccn2;CPD-4061
OC(COP(=O)(O)O)C(O)C(O)C=O;ARABINOSE-5P
Oc1nc(O)nc(O)n1;CYANURIC-ACID
CC(=CCCC(=C1CCC(=CC1)C)C)C;CPD-8737
OCC(O)C=O;GLYCERALD
C[N+](C)(C)CC(=O)CC(=O)O;3-DE-H-CARNITINE
NCCCC(O)(P(=O)(O)O)P(=O)(O)O;ALENDRONATE
CC(=O)C(=CC=C(O)C(=O)O)C;CPD-8782
NC(=O)CCCCC1CCSS1;LIPOAMIDE
Nc1ccc(O)cc1;CPD-259
CCC12C=CCN3CCC4(C13)C(N(C)c5cc(OC)ccc45)C(O)(C2OC(=O)C)C(=O)OC;VINDOLINE
CNC1CC(N)C(OP(=O)(O)O)C(OC2OC(CO)C(O)C3OC4(OC(C(N)CO)C(O)C(O)C4O)OC23)C1O;7-O-PHOSPHOHYGROMYCIN-B
CC(=CC=C(O)C(=O)O)C=O;CPD-8781
COCCO;2-METHOXYETHANOL
ClCC=O;CHLOROACETALDEHYDE
Fc1cccc(C=O)c1;CPD-8780
O=C1CC(=O)NC(=O)N1;BARBITURATE
Oc1cnc2ccccc2c1O;QUINOLIN-34-DIOL
CC1(CO)OP(=O)(O)OP(=O)(O)OCC1O;2C-METH-D-ERYTHRITOL-CYCLODIPHOSPHATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)C;CPD-7904
CCCCCCCCCCCCCCCCC=CCCC;CPD-7905
CCCCCCCCCCCCCCCCCCCCCCCCCCC=CCCC;CPD-7906
CN1CC(=O)NC1=O;N-METHYLHYDANTOIN
CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O;N-ACETYL-D-GALACTOSAMINE-6-PHOSPHATE
CCCCCCCCCCCC(=O)C;CPD-7901
NCCBr;2-BROMOETHYLAMINE
NCC(O)CC(=O)O;AMINOBUT-CPD
OC1CC(=CC(=O)C1O)C(=O)O;3-DEHYDRO-SHIKIMATE
CCCCCCCCCCCCCCCCCCCCCCCCC=CCCC;CPD-7909
NC(Cc1c[nH]c2ccccc12)C(=O)O;D-TRYPTOPHAN
COC1OC(CO)C(O)C(O)C1O;METHYL-BETA-D-GALACTOSIDE
OC(=O)c1cccnc1;NIACINE
CC(=O)NCCCCNCCCN;CPD-3462
OC(=O)CCC(=O)NC(CCCC(=O)C(=O)O)C(=O)O;N-SUCCINYL-2-AMINO-6-KETOPIMELATE
OC(C(O)C(OC(=O)C=Cc1ccc(O)c(O)c1)C(=O)O)C(O)C(=O)O;2-O-CAFFEOYLGLUCARATE
OC(=O)C(=O)CP(=O)(O)O;CPD-235
CC(C)C(=C)CCC(C)C1CCC2(C)C3CCC4C(C)C(O)CCC45CC35CCC12C;CYCLOEUCALENOL
OCC1OC(C(O)C1O)N2C(=O)NC3=C2NC(=O)NC3=O;URATE-3-RIBONUCLEOSIDE
CC12CC(O)CC3(OC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;CPD-236
Oc1ccccc1;PHENOL
CCCC(O)CC(=O)OCC;ETHYL-R-3-HYDROXYHEXANOATE
OC(=O)C=C1OC(=O)C=C1;4-CARBOXYMETHYLENEBUT-2-EN-4-OLIDE
CC12CC(O)CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-482
NC(=O)C(CCC(=O)O)NC=O;FORMYL-ISOGLUTAMINE
CC12CC=CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6983
OC(Cc1ccc(O)c(O)c1)C(=O)O;CPD-6982
OC(=O)C(Cc1ccc(O)c(O)c1)OC(=O)C=Cc2ccc(O)c(O)c2;CPD-6981
Oc1c(Cl)c(Cl)c(O)c(Cl)c1Cl;TETRACHLOROHYDROQUINONE
CC(N)C(=O)O;D-ALANINE
CC12CC(O)CC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;CPD-6984
OC1C(O)C(OP(=O)(O)O)OC1COP(=O)(O)O;RIBOSE-15-BISPHOSPHATE
COc1ccc2CC3C4C=CC(O)C5Oc1c2C45CCN3C;CODEINE
OC1=CC(=O)OC(=C1)C=Cc2ccc(O)c(O)c2;CPD-6989
Oc1ccc[n+](O)c1;HYDROXYPYRIDINE-N-OXIDE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C3O)C(=O)N1;GTP
OC1CNC(C1)C(=O)O;4-HYDROXY-L-PROLINE
OC(=CC(=O)c1ccc(O)cc1)c2ccc(O)cc2O;LICODIONE-II
CCN(CC)C(=S)SSC(=S)N(CC)CC;DISULFIRAM
CC(CCC=C(C)C)C1CCC2(C)C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;LANOSTEROL
OC(=O)C(=O)c1ccccc1;PHENYLGLYOXYLATE
CN(C)c1ncnc2c1ncn2C3OC(CO)C(NC(=O)C(N)Cc4ccc(O)cc4)C3O;O-DEMETHYLPUROMYCIN
CC(=O)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O;S-ACETYLPHOSPHOPANTETHEINE
CC=C1C2CC3N(C4CC5(C(OC(=O)C)C24)C3=Nc6ccccc56)C1OC7OC(CO)C(O)C(O)C7O;RAUCAFFRICINE
CC(=CCCC(=CCCC(=CCCC=C(C)CCC=C(C)CCC1OC1(C)C)C)C)C;EPOXYSQUALENE
CSCCC(O)(CC(=O)O)C(=O)O;2-2-METHYLTHIOETHYLMALIC-ACID
OC(=O)CCC(NC=O)C(=O)O;CPD-600
CC1(C)C2CCC(C2)C1=C;CPD-4921
CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(CO)OP(=O)(O)O;DIHYDROSTREPTOMYCIN-3-ALPHA-6-BISPHOSPH
C1COCCN1;MORPHOLINE
N=O;NITRIC-OXIDE
CC1OC(OP(=O)(O)O)C(O)C(O)C1O;RHAMNULOSE-1P
OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)cc2)C1O)C(=O)O;4-COUMAROYLQUINATE
OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-1099
OCC1OC(O)C(O)C1O;PENTOSE-RING
CC(C)(CO)C(O)C(=O)O;L-PANTOATE
OC(=O)c1ccccc1O;CPD-110
CCC(=O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;PROPIONYL_ADENYLATE
CC1=CC2C(CC1)C(=CCCC2(C)C)C;CPD-8734
CCCCCC(O)C=CC1=CCC(=O)C1CCCCCCC(=O)O;CPD-1912
CC(C)(OC1OC(CO)C(O)C(O)C1O)C#N;LINAMARIN
CCC1=C(C)C(=CC2=NC(=Cc3[nH]c(C=C4NC(=O)C(C)(C)C4=CC)c(C)c3CCC(=O)O)C(=C2C)CCC(=O)O)NC1=O;3Z-PHYCOCYANOBILIN
OC(=O)CC(O)(CC(=O)C(=O)O)C(=O)O;4-OXALOCITRAMALATE
CC(C)C=O;CPD-7000
Nc1ncnc2c1ncn2C3OC(COP(=O)(N)O)C(O)C3O;CPD-487
CC(CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)CCC=C(C)CCC=C(C)C;CPD-7002
C=Cc1ccccc1;CPD-1092
NCCCCCCCCCCCCN;112-DIAMINOOCTANE
OC(=O)C(=C)OP(=O)(O)C(=O)O;1-CARBOXYVINYL-CARBOXYPHOSPHONATE
NC(CN1C=CC(=O)NC1=O)C(=O)O;CPD-666
OC1Oc2cc(O)ccc2N(O)C1=O;CPD-6367
OCCCC(=O)O;4-HYDROXY-BUTYRATE
NC(CS)C(=O)NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;CPD1G-120
CCC(S)CCCCC(=O)O;6-THIO-OCTANOATE
OC(=O)C(=CC=C)O;CPD-2681
Oc1ccc(cc1)C2CC(=O)c3c(O)cc(O)cc3O2;NARINGENIN-CMPD
C;METHYL-GROUP
OC1Oc2ccccc2N(O)C1=O;CPD-6365
CC(=C)C1CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C12;CPD-90
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(=O)CC4CC3;CPD-4581
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C=O)C4CC3;CPD-4580
OC1Oc2ccccc2NC1=O;CPD-6364
CC(CCCc1ccccc1)C=CCCC(=O)OC2C(O)C3(CCCC(OC(=O)C)C(C)Cc4ccccc4)OC(C(=O)O)C(O)(C(=O)O)C2(O3)C(=O)O;CPD-4585
COc1cc2OC3OCCC3c2c4Oc5cccc(O)c5C(=O)c14;CPD-4587
Oc1cccc2Oc3c4C5CCOC5Oc4cc(O)c3C(=O)c12;CPD-4586
COc1ccc(O)c2C(=O)c3c(OC)cc4OC5OC=CC5c4c3Oc12;CPD-4589
COc1cccc2Oc3c4C5CCOC5Oc4cc(OC)c3C(=O)c12;CPD-4588
CC(CCOc1ccc2Nc3ccccc3Nc2c1)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;DIHYDROMETHANOPHENAZINE
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3;L-HYOSCYAMINE
CC1OC(C(O)C1O)n2cnc3c(N)ncnc23;CH33ADO
Cc1cc(O)cc(O)c1;ORCINOL-CPD
OC1C(O)C(OC1COP(=O)(O)O)[N+]2C=NC(=C2)CC(=O)O;1-5-PHOSPHORIBOSYLIMIDAZOLE-4-ACETATE
O=C1Cc2ccccc2N1;CPD-6361
CN(C)CC(=O)O;DIMETHYL-GLYCINE
CCCCC(CC)COC(=O)c1ccccc1C(=O)O;2-ETHYLHEXYL-PHTHALATE
CCc1ccccc1;ETHYLBENZENE
CC(OP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)n2cnc3C(=O)NC(=Nc23)N)C(=O)O;CPD-7601
NCCCC(N)(C(F)F)C(=O)O;DIFLUOROMETHYLORNITHINE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)NC(Cc4ccccc4)C(=O)O)C(O)C3O;CPD-485
OC(=O)C1CC(=CC=[N+]2C(CC3=CC(=O)C(=O)C=C23)C(=O)O)C=C(N1)C(=O)O;CPD-8890
CC1=NC(CC2=NCC(=C2CC(=O)O)CCC(=O)O)C(=C1CC(=O)O)CCC(=O)O;DIPYRROMETHANE
OC(=O)CCC(=O)CC(=O)O;3-KETO-ADIPATE
CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(C(O)O)C3CC2;CPD-8715
CCCCCc1cc2OC(C)(CCC=C(C)C)C=Cc2c(O)c1C(=O)O;CPD-7171
CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1C(=O)O;CPD-7170
CCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(O)c1;CPD-7173
CCCCCc1cc(O)c2C3C=C(C)CCC3C(C)(C)Oc2c1;CPD-7172
CCCCCc1cc(O)c(CC=C(C)CCC=C(C)C)c(O)c1C(=O)O;CPD-7175
CCCCCc1cc(O)c2C=CC(C)(CCC=C(C)C)Oc2c1;CPD-7174
O=C(C=Cc1ccccc1)c2ccccc2;CHALCONE-CMPD
CC(OP(=O)(O)O)C(=O)O;D-PHOSPHOLACTATE
Nc1ncnc2c1ncn2C3(CO)OC(CO)C(O)C3O;CPD0-1033
Cc1cc2nc[nH]c2cc1C;DIMETHYLBENZIMIDAZOLE
ClC(Cl)C(Cl)(Cl)Cl;PENTACHLOROETHANE
OC(=O)C=C(O)C(=O)O;ENOL-OXALOACETATE
CC(OP(=O)(O)OCC(O)C(O)C(O)CN1C2=NC(=O)NC(=O)C2=Cc3ccc(O)cc13)C(=O)NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O;CPD-7604
OC1C(O)C(OC1COP(=O)(O)O)[n+]2cccc(C(=O)O)c2C(=O)O;QUINOLINATE_NUCLEOTIDE
Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3;DADP
CC(C)C(=C)CCC(C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C;EPISTEROL
CC1(CC(=O)C=C2C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-251
OCC(O)C(O)C(=O)CO;RIBULOSE
CC1(CCC2C(=CCC3C(C)(CCCC23C)C(O)O)C1)C=C;CPD-8727
CN1C(=O)Nc2ncn(C)c2C1=O;1-7-DIMETHYLXANTHINE
CN(Cc1cnc2nc(N)nc(N)c2n1)c3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O;CPD-6041
Nc1ncnc2ncn(C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)c12;ADP-D-GLUCOSE
OCC(O)C(O)C=O;THREOSE
C[N+]1(C)CCCC1C(=O)O;CPD-821
CCCCCCCCCCCCCCCC(=O)OCC(=O)COP(=O)(O)O;PALMITOYLGLYCERONE-PHOSPHATE
CCCCCCCCC=CCCCCCCCC(=O)O;OLEATE-CPD
OC(=O)C=CC(=CC(=O)O)Cl;CPD-279
C[S+](CCC(=O)C(=O)O)CC1OC(C(O)C1O)n2cnc3c(N)ncnc23;S-ADENOSYL-4-METHYLTHIO-2-OXOBUTANOATE
Oc1cc(Cl)c(O)cc1Cl;25-DICHLOROHYDROQUINONE
Oc1ccc2cccc(O)c2n1;QUINOLIN-28-DIOL
CC(N)C(=O)NC(C)C(=O)OP(=O)(O)OCC(O)COP(=O)(O)OCC(O)CO;CPD-75
CCCCCCCCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCCCCCCCC;CPD-2188
CCCCCCCCCCCCCCCC(=O)OC(COC1OC(CO)C(O)C(O)C1O)COC(=O)CCCCCCCC=CCCCCCCCC;CPD-2187
CCCCCCCCCCCCC=CCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)OCC(O)CO;CPD-2186
CCCCCCCCCCCCC=CCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)OCC(O)CO;CPD-2185
CCCCCCCCCCCCC=CCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO;CPD-2184
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(O)CO;CPD-2183
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-2182
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-2181
OC(=O)CCC=CC(=O)C(=O)O;CPD-1401
COC(=O)C(C=O)C1CC2N(CCc3c2[nH]c4ccccc34)CC1=CC;GEISSOSCHIZINE
CC(C)CN1C(=O)N(C)C(=O)c2[nH]cnc12;3-ISOBUTHYL-1-METHYLXANTHINE
CC(C)C(=O)O;ISOBUTYRATE
OC1CC(O)(CC(=O)C1O)C(=O)O;DEHYDROQUINATE
OC(Cc1cccnc1)(P(=O)(O)O)P(=O)(O)O;RISEDRONATE
COP(=S)(O)OC;CPD-8974
OC(=O)c1cc(O)c(O)c(O)c1c2c(O)c(O)c(O)cc2C(=O)O;CPD-8976
NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O)O)O2;DCMP
NC(CO)(CO)CO;TRIS
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C(C=C)C1CC3NCCc4c3[nH]c5ccccc45;STRICTOSIDINE
O=CCc1ccccc1;PHENYLACETALDEHYDE
CC12CCC3C(CCC4=CC(=O)CCC34C=O)C1CCC2O;19-OXO-TESTOSTERONE
OCC1OC(O)CC1O;2-DEOXYRIBOSE
CCOP(=O)(O)O;CPD-8978
CCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8437
OC(=O)C=Cc1ccc(O)cc1;CIS-P-COUMARATE
CCC(C)N;CPD-3627
OCC(O)C(O)C(O)C(O)COP(=O)(O)O;GALACTITOL-1-PHOSPHATE
OCC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-458
OCC1OC(Oc2ccccc2C=CC(=O)O)C(O)C(O)C1O;CPD-459
OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1O;VALIDOXYLAMINE-A
CC(C)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;5-BETA-CHOLESTANE-3-ALPHA7-ALPHA12-ALP
OCC1OC(OCC2OC(CO)(OC3OC(CO)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O;CPD-454
Cc1ncc(COC2OC(CO)C(O)C(O)C2O)c(CO)c1O;CPD-455
Cc1cc(O)c(O)[nH+]c1O;CPD-984
OCC1OC(O)C(O)C(O)C1Oc2ccc(C=CC(=O)O)cc2;CPD-457
CC1=Cc2c(O)c(O)ccc2NC1=O;CPD-982
CC1=CC(=C(NC1=O)C=CC(=O)C(=O)O)O;CPD-983
CCCCCC=CCC(OO)C=CC=CCC=CCCCC(=O)O;5Z8Z10E14Z-12S-12-HYDROPEROXYICOS
OCC1OC(Oc2ccc(cc2)C(=O)O)C(O)C(O)C1O;CPD-453
CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(OP(=O)(O)O)C(NC(=[N+])N)C(O)C3NC(=[N+])N)OC(C)C2(O)C=O;CPD-529
CC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O;1-DEOXY-D-ALTRO-HEPTULOSE-7-PHOSPHATE
C1CCNCC1;PIPERIDINE
CC(=O)NC(CCCC(=O)OP(=O)(O)O)C(=O)O;N2ACETYL-ALPHA-NP
OO;HYDROGEN-PEROXIDE
OC1COC(OCC2OC(OC(C#N)c3ccccc3)C(O)C(O)C2O)C(O)C1O;R-VICIANIN
CNCCCC(=O)O;CPD-124
OC1C=CC=C(C1O)c2ccccc2;CIS-3-PHENYLCYCLOHEXA-35-DIENE-12-DIOL
OC(=O)CNC=N;N-FORMIMINO-GLYCINE
Nc1ncnc2c1ncn2C3OC(CO)C4OP(=O)(O)OC34;CPD-3707
CC(OP(=O)(O)O)C(=O)O;CPD-7599
OC1Cc2c(O)cc(O)c(C3C(O)C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O)c5)c2OC1c6ccc(O)c(O)c6;CPD-1981
CC(=C)C1CCC(C)(C=C)C(C1)C(=C)C;CPD-8232
COc1ccc2nccc(C(O)C3CC4CCN3CC4(O)C=C)c2c1;3-HYDROXYQUININE
NC(Cc1ccccc1)C(=O)O;PHE
CC(C)NNC(=O)c1ccncc1;IPRONIAZID
CC(C)C1CC=C(C)c2ccc(C)cc12;CPD-8808
O=C1c2ccccc2c3ccccc13;9FLUORENONE
CC(=O)OCC1OC(O)C(O)C(O)C1O;CPD-522
CCCCCCCCCCCCCCCC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CPD-523
OP(=O)(O)NC(=N)NCCS(=O)(=O)O;NOMEGA-PHOSPHOHYPOTAUROCYAMINE
CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC;CPD-7754
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7757
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC;CPD-7756
CC(C)C1CCC(C)(C=C)C(C1)C(=C)C;CPD-8800
CC(C)C1CCC2(C)C3CC=C(C)C2C13;CPD-8801
CC(C)C1CCC2(C)C3CCC(=C)C2C13;CPD-8802
CC(C)C1CCC(C)C23CCC(=C)C2C13;CPD-8803
CC(C)C1CCC2(C)C3CCC(C13)C2=C;CPD-8804
CCCC(=O)C(=O)O;CPD-8805
NC(CS(=O)O)C(=O)O;3-SULFINOALANINE
CC(C)C1=CCC(C)c2ccc(C)cc12;CPD-8807
CC(C)C1=CC2C(C)CCC2C(=CC1)C;CPD-8750
CCCCCC=CCC=CCCCCCCCC(=O)O;CPD-8203
CC1(C)CCCC2(C)C3CCC(=C)C2C13;CPD-8752
CC1CCC=C2CCC3C(C3(C)C)C12C;CPD-8753
OC(COS(=O)(=O)O)C(O)C(O)C(NS(=O)(=O)O)C=O;CPD-8206
SC(=O)c1cccc(n1)C(=O)S;CPD-8207
CC1=CCC2C(C1)C2(C)C;CPD-8756
COc1cc(CC[N+]=CC=C2CC(NC(=C2)C(=O)O)C(=O)O)ccc1O;CPD-8757
CC(C)C1=CC2=C(C)CCCC2(C)CC1;CPD-8758
NC1=[NH+]C(=O)C2=C(NCC(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)N2C=N)N1;CPD-671
NC(COS(=O)(=O)O)C(=O)O;CPD-673
OC(=O)C=Cc1ccccc1;CPD-674
OC(=O)C=Cc1ccc(O)c(O)c1;CPD-676
NC(COC(=O)N)C(=O)O;CPD-677
[C-]#[N+]C1CCCCC1;CYCLOHEXYL-ISOCYANIDE
CCCCC=COC=CC=CCCCCCCCC(=O)O;CPD-8690
NC(=N)NCCCC(=O)C(=O)O;CPD-824
NC(CCC(=O)NC(CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)C(CS)NC(=O)CCC(N)C(=O)O)C(=O)O;TRYPANOTHIONE
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8293
OCc1ccccc1OC2OC(COP(=O)(O)O)C(O)C(O)C2O;CPD-1181
OC1COC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C1O;UDP-L-ARABINOSE
ONc1ccccc1;HYDROXYAMINOBENZENE
NCCCNCCCCNCCCN;SPERMINE
CCCCCC#CCC=CCCCCCCCC(=O)O;CREPENYNATE
CCCCCCCCC1CC1CCCCCCCC(=O)O;DIHYDROSTERCULIC-ACID
OC(=O)CC=C;VINYL-ACETATE
CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC;CPD-7753
CNC(C)C(=O)O;CPD-298
Oc1c2C=CC(=O)Oc2cc3occc13;BERGAPTOL
NC1=Nc2c(ncn2C3OC(CO)C(OP(=O)(O)O)C3O)C(=O)N1;CPD-3708
OCC(=O)C(O)C(O)CC(=O)O;CPD-827
CCCCCCCCCCCCCC=CC=O;CPD-292
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C1O;BETA-D-GALACTOSYL-ETCETERA-GLUCOSAMINE
OC1C=CC=CC1(O)C(=O)O;CPD-290
ClC1(Cl)C2(Cl)C3(Cl)C4(Cl)C(=O)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl;CHLORDECONE
OC(=O)CCCCC(S)CCS;CPD-296
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1ccccc1O)C)C)C)C)C)C)C)C;2-OCTAPRENYLPHENOL
CC(=O)NC1C(O)OC(CO)C(OS(=O)(=O)O)C1OC2OC(C(O)C(O)C2OS(=O)(=O)O)C(=O)O;CPD-7276
OC(COP(=O)(O)O)C(O)CC(=O)C(=O)O;DEHYDRO-DEOXY-GALACTONATE-PHOSPHATE
CC(C)C1=CC2=CCC3C(C)(C)CCCC3(C)C2CC1;--ABIETADIENE
CC(=CCc1cc2C=CC(=O)Oc2cc1O)C;CPD-8192
CC(=O)NCCCNCCCCN;N-ACETYLSPERMIDINE
OC1C(O)C(COP(=O)(O)O)OC(Oc2ccc(O)cc2)C1O;CPD-1162
OC(=O)C1CCC(=O)CC1;4-OXOCYCLOHEXANECARBOXYLATE
OC(Cn1ccnc1)(P(=O)(O)O)P(=O)(O)O;ZOLEDRONATE
NC(C(=O)O)C(=O)COP(=O)(O)O;2-AMINO-3-OXO-4-PHOSPHONOOXYBUTYRATE
CC(=O)CC(=O)O;3-KETOBUTYRATE
OC1C=Cc2c(O)cc(nc2C1O)C(=O)O;CPD-274
c1ccc2cnccc2c1;ISOQUINOLINE
CC(C)(O)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C;CPD-276
Nc1ncnc2C(NNc12)C3OC(CO)C(O)C3O;FORMYCIN-A
CC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;CPD-271
CC1(C(O)CCC2(CO)C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-6203
CC(=O)NCCc1ccccc1;N-ACETYLPHENYLETHYLAMINE
NC(CS)C(=O)NCC(=O)O;CYS-GLY
CC(=O)NCCCC(=O)O;CPD-570
CC(=C1CCC(=CC1=O)C)C;CPD-278
CC1OC(O)C(O)C(O)C1O;RHAMNOSE
CCC=CCC=CCC=CCC=CCCCCC(=O)O;CPD-8119
CC(=O)C1=C(CC(=O)CC(=O)O)Cc2cccc(O)c2C1=O;CPD1A0-6104
CC(=O)C1=C(CC(O)CC(=O)O)Cc2cccc(O)c2C1=O;CPD1A0-6105
CC1(O)OC(CC(=O)O)CC2=C1C(=O)c3c(O)cccc3C2;CPD1A0-6106
OC(=O)C(CS)CS;3-MERCAPTO-2-MERCAPTOMETHYLPROPANOATE
COc1ccc(cc1)C2=CC(=O)c3c(O)cc(O)cc3O2;CPD-1095
Oc1cccc2C(=O)C=CC(=O)c12;HYDROXYNAPHTHOQUINONE
CSCCC(N)C(=O)O;CPD-218
CC(C)CN1C(=O)N(C)C(=O)c2nc[nH]c12;CPD-5461
OC(=O)CC(=CC(=O)C(=O)O)C(=O)O;CPD-186
CC(O)(CC(=O)C(=O)O)C(=O)O;CPD-187
OC(=O)C1=CC(=CC(=O)O1)C(=O)O;CPD-184
OC(=O)C=C(C=C(O)C(=O)O)C(=O)O;CPD-185
CC1=CC(=O)Oc2cc(O)ccc12;CPD-182
OC(=O)c1cc(O)c(O)c(O)c1;CPD-183
NC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;CPD-180
CC(=O)Oc1ccc2C(=CC(=O)Oc2c1)C;CPD-181
COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC;S-781314-TETRAHYDROPROTOBERBERINE
CCCCC(N)C(=O)O;L-2-AMINOHEXANOATE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCO)C)C)C)C)C)C)C)C)C)C)C;CPD-188
CC1=CN(C2CC(O)C(COP(=O)(O)O)O2)C(=O)NC1=O;TMP
NC(CCSSCCC(N)C(=O)O)C(=O)O;HOMOCYSTINE
CCCCCCCCCCCC=CCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O;CPD-8370
NC(=O)C(O)C(O)C(O)C(O)C=O;CPD-3581
COC1OC(CO)C(O)C(O)C1O;CPD-3582
NC(=O)NO;HYDROXY-UREA
OC(=O)CCc1cccc(O)c1O;2-3-DIHYDROXYPHENYL-PROPIONATE
NC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(OP(=O)(O)O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;NADP
NC(CCc1nc(CC(N)C(=O)O)c[nH]1)C(=O)O;2-3-CARBOXY-3-AMINOPROPYL-L-HISTIDINE
Oc1ccccc1C=O;SALICYLALDEHYDE
OC(=O)C=C(C=C(O)C(=O)O)C(=O)O;4-CARBOXY-2-HYDROXY-CISCIS-MUCONATE
OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O;KDO
CSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O;S-METHYLGLUTATHIONE
CC(CO)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;27-HYDROXYCHOLESTEROL
OC1C(OC(=C)C(=O)O)C=CC=C1C(=O)O;ISOCHORISMATE
OC1C(=O)Nc2ccccc12;CPD-6362
NCCCC(NC(=O)CCC(=O)O)C(=O)O;N2-SUCCINYLORNITHINE
CC(C)C(C(O)C(=O)O)C(=O)O;2-D-THREO-HYDROXY-3-CARBOXY-ISOCAPROATE
OC(=CC(=O)c1ccc(O)cc1O)c2ccc(O)cc2;LICODIONE
OCC1C(O)C(O)C(O)OC1SC(=NOS(=O)(=O)O)Cc2c[nH]c3cccc(O)c23;4-HYDROXY-3-INDOLYLMETHYL-GLUCOSINOLATE
CC(=O)N;ACETAMIDE
CCCCC(=O)O;VALERATE
OC(C=O)C(=O)O;TARTRONATE-S-ALD
CC(=CCOP(=O)(O)OP(=O)(O)O)CO;E-4-HYDROXY-3-METHYLBUT-2-EN-1-YL-DIPH
CC1(C)COC(=O)C1O;PANTOYL-LACTONE
NC1=NC(=O)N(C=C1O)C2OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C2O;5-HYDROXY-CTP
[OH]=O;SUPER-OXIDE
CC1OC(OC2C(O)C(O)C(CO)OC2Oc3cc(O)c(C(=O)CCc4ccc(O)cc4)c(O)c3)C(O)C(O)C1O;CPD-7067
Oc1ccc(C2=COc3cc(O)cc(O)c3C2=O)c(O)c1;CPD-6641
CC(=C1CCC2C(=C1)CCC3C(C)(C)CCCC23C)C;CPD-8696
OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)cc3;CPD-1962
OC(=O)Cc1c[nH]c2ccccc12;INDOLE_ACETATE_AUXIN
CCCCCCCCCCCCCCCC=O;PALMITALDEHYDE
CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCCC;CPD-7917
CCCCCCCCCCCCCCCCCC=CCC=CCCCCC;CPD-7916
CCCCCCCCCCCCCCCCCCCC=CCC=CCCCCC;CPD-7915
CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCC=O;CPD-7914
CCCCCCCCCCCCCCCCCCCCCCC=CCCCC=O;CPD-7913
CCCCCCCCCCCCCCCCCCCCC=CCCCC=O;CPD-7912
CCCCCCCCCCCCCCCCCCC=CCCC;CPD-7911
CCCCCCCCCCCCCCCCCCCCC=CCCC;CPD-7910
CN(CC(=O)O)C(=N)NP(=O)(O)O;CREATINE-P
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;CPD-3743
OS(=O)(=O)CC=O;SULFOACETALDEHYDE
CCCCCCCCCCCCCCCCCCCCCCC=CCCCCC;CPD-7919
CCCCCCCCCCCCCCCCCCCCC=CCCCCC;CPD-7918
NC1=Nc2c(ncn2C3OC4COP(=O)(O)OC4C3O)C(=O)N1;CGMP
CC1=C(C=C)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)C(=C5C)C=C)c(C)c4CCC(=O)O)c(CCC(=O)O)c3C;PROTOPORPHYRIN_IX
OC(=O)c1ccc2ccccc2c1O;HYDROXYNAPHTHOATE
Oc1cc(O)c2C(=O)C(=Cc3ccc(O)c(O)c3)Oc2c1;CPD-2982
Nc1ncnc2c1ncn2C3(CO)OC(=C)C(O)C3O;DECOYININE
Cc1ncsc1CCOP(=O)(O)O;THZ-P
CC1(C)C2CCC1(C)C(=O)C2;--CAMPHOR
CCOC(=N)C;ETHYLACETIMIDATE
OC1CC(O)C(O)C(COP(=O)(O)O)O1;2-DEOXY-D-GLUCOSE-6-PHOSPHATE
Cc1cc(O)cc(O)c1O;CPD-616
CC1C2C(CC3C4CC=C5CC(CCC5(C)C4CCC23C)OC6OC(CO)C(O)C(O)C6O)OC17CCC(C)(CO)O7;20S22S25S-2225-EPOXYFUROST-ETC-GLUCOSIDE
OCC1OC(OC2(COC3(CO)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;1-KESTOTRIOSE
C[N+](C)(C)CC(O)CC(=O)O;D-CARNITINE
NC(=CC=CC(=O)O)C(=O)O;2-AMINO-MUCONATE
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O;4-ANDROSTENE-317-DIONE
NCCC1OC2CC(=O)N2C1C(=O)O;DIHYDROCLAVAMINATE
OCC(O)C1OC(=O)C(O)C1O;D-GALACTONO-1,4-LACTONE
OC(=O)C(P(=O)(O)O)S(=O)(=O)O;2-PHOSPHONO-3-SULFOPROPRIONATE
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O;THRYROXINE
CCCC(=O)OC1C(C)C2(O)C(C=C(C)CC3(O)C2C=C(C)C3=O)C4C(C)(C)C14OC(=O)CCC;PHORBOL-1213-DIBUTANOATE
OC1CC(=CC(O)C1O)C(=O)O;SHIKIMATE
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC;CPD-7818
Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1;CPD-4462
CC1=CC(=O)c2c(O)cccc2C1=O;CPD-4461
CC(=O)CC(=O)CC(=O)C(=O)O;CPD-617
CCCCCCCCCCC(C(=O)O)C(O)(CC(=O)O)C(=O)O;HYDROXYTRIDECANE-ETCETERA-TRICARBOXYLATE
CC(O)CCC=C(C)C;CPD-8169
NC(OC(=O)N)C(=O)O;CARBAMOYLOXAMATE
NC(C(=O)O)C(=O)CCC(=O)O;2-AMINO-3-KETOADIPATE
NC(Cc1c[nH]cn1)C=O;HISTIDINAL
CC1C(O)CC(O)C2=CCC(CC12C)C(=C)C;CPD-4661
CC1C(O)CCC2=CCC(CC12C)C(=C)C;CPD-4662
CC1CCC(O)C2=CCC(CC12C)C(=C)C;CPD-4663
CC1CCCC2=CCC(CC12C)C(=C)C;CPD-4664
OCC1NCC(O)C(O)C1O;1-DEOXYNOJIRIMYCIN
COP(=O)(O)OCCNC(=N)NP(=O)(O)O;N-PHOSPHOGUANIDINOETHYL-METHYL-PHOSPHAT
CC(C)C(C)C=CC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-4161
OCC1CC=C(O)C(=O)C1O;HYDROXYMETHYL-ETCETERA-DIHYDROXYCYCLOHEX
Cc1cccc(C=O)c1;3-METHYLBENZALDEHYDE
ClCBr;CPD-614
CC(O)C(N)C(=O)O;D-THREONINE
CS(=O)(=O)O;CPD-3746
CC(=O)NC1C(O)OC(COP(=O)(O)O)C(O)C1O;N-ACETYL-D-MANNOSAMINE-6P
c1ccc2c(c[nH]c2c1)c3nccs3;THIAZOL-YL-INDOLE
CN1C2CCC1CC(C2)OC(=O)C(CO)c3ccccc3;ATROPINE
Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)c2cc1C;FAD
CC(=O)OCC(CC(=O)O)C[N+](C)(C)C;ACETYLCARNITINE
NC(CC(=O)O)C(=O)O;L-ASPARTATE
CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)C)C;CPD-7731
O=C1Cc2ccccc2CO1;ISOCHROMANONE
OC(=O)C1CCCC(N1)C(=O)O;D1-PIPERIDINE-DICARBOXYLATE
NC(Cc1c[nH]c2cccc(F)c12)C(=O)O;CPD0-922
OC1COC(OC2C(O)C(O)C(OC(=O)Cc3c[nH]c4ccccc34)C(O)C2O)C(O)C1O;INDOL-YLACETYL-MYO-INOSITOL-ARABINOSIDE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=CC(O)C(=C(C)C1O)C)C)C)C)C)C)C)C)C)C;PLASTOQUINONE-9
NNC(=O)N;SEMICARBAZIDE
OCC1OC(OC2(COC3(COC4(CO)OC(CO)C(O)C4O)OC(CO)C(O)C3O)OC(CO)C(O)C2O)C(O)C(O)C1O;NYSTOSE
OC1C=CC(CC(=O)C(=O)O)(C=C1)C(=O)O;PREPHENATE
CC(CCC=C(C)C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;DESMOSTEROL-CPD
CCC(C)C1=NC2=C(CCCNC(=N)N)NC(=CN2C1=O)c3c[nH]c4ccccc34;CYPRIDINA-LUCIFERIN
NCC(=O)NCC(=O)O;GLYCYLGLYCINE
OC(=O)Cc1cc(O)ccc1O;HOMOGENTISATE
Cc1ncc2COC(=O)c2c1O;CPD-375
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8391
OC1C=CC=CC1O;CPD-8825
CC(=O)OCc1ccccc1;CPD-6501
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCCC;CPD-8449
Oc1ccc2[nH]cc(CC=O)c2c1;5-HYDROXYINDOLE_ACETALDEHYDE
OCC1OC(O)C(O)C(O)C1OC2OC(COP(=O)(O)O)C(O)C(O)C2O;CPD-507
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(OO)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8166
CC(C)C#N;CPD-4864
OC1C=CC=C(C1O)C(=O)O;DIHYDRO-DIOH-BENZOATE
CC(C)C(N(O)O)C(=O)O;CPD-4863
CC(C)C=NO;CPD-4861
OC(=O)C(=Cc1ccccc1)O;ENOL-PHENYLPYRUVATE
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(O)C2N)C1O;CPD-5842
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3N)C(O)C2N)C1O;CPD-5841
NCC(O)CCC(N)C(=O)O;5-HYDROXY-L-LYSINE
CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(CO)C(O)CCC4(C)C3CCC12C;CPD-5847
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C(=O)O)C3CCC12C;CPD-5846
CC(C)CCCC(C)C1CCC2C3=CCC4C(C)(CCC(O)C4(C)C=O)C3CCC12C;CPD-5845
OC=O;FORMATE
C1c2ccccc2c3ccccc13;FLUORENE
COC1=C(Oc2cc(OC)cc(O)c2C1=O)c3ccc(O)c(O)c3;345-TRIHYDROXY-37-DIMETHOXYFLAVONE
CCOC(=O)OC(=O)OCC;DIETHYLPYROCARBONATE
O=CC1Cc2ccccc2C1=O;2F1INDANONE
O=N#N;NITROUS-OXIDE
NCCc1ccc(O)cc1;TYRAMINE
OC(Cc1ccc(O)cc1)C(=O)O;CPD-2222
OC1CC(=O)c2ccccc12;3H1INDANONE
CC(C)C(=O)C1=C(O)C(=C(O)C(O)(CC=C(C)C)C1=O)CC=C(C)C;CPD-7108
CC(C)CC(=O)c1c(O)cc(O)c(CC=C(C)C)c1O;CPD-7109
CC(C)C(=O)c1c(O)cc(O)cc1O;CPD-7104
CC(C)CC(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O;CPD-7105
CC(C)CC(=O)C1=C(O)C(=C(O)C(O)(CC=C(C)C)C1=O)CC=C(C)C;CPD-7106
CC(C)C(=O)c1c(O)c(CC=C(C)C)c(O)c(CC=C(C)C)c1O;CPD-7107
CC(=O)Oc1cccc(O)c1;3-HYDROXYPHENYLACETATE
Cc1ncc(C[n+]2csc(CC(=O)O)c2C)c(N)n1;CPD-7101
OCC1OC(C(=O)C1O)n2cnc3C(=O)NC=Nc23;CPD-7102
C[N+](C)(C)CCCCP(=O)(O)CCC(O)CO;GLYCERYLPHOSPHORYLCHOLINE
CCCC(=O)N;BUTYRAMIDE
OCC1OC(O)C(O)C(=O)C1O;3-DEHYDRO-ALPHA-GLUCOSE
NC(CCC(=O)N)C(=O)O;GLN
CC(=O)C(N)C(=O)O;3-K-THR
Cc1cc2NC3=C(Nc2cc1C)C(=O)NC(=O)N3;FLAVIN
COc1ccc2NC(=O)C(O)Oc2c1;CPD-6404
CNC(C)C1CCC(N)C(OC2C(N)CC(N)C(OC3OCC(C)(O)C(NC)C3O)C2O)O1;GENTAMICIN
NC(CCC(=O)NC(CSSCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)N)C(=O)NCC(=O)N)C(=O)O;CPD-6402
NC(CCC(=O)NC(CSS)C(=O)NCC(=O)N)C(=O)O;CPD-6403
OCC1OC(O)(CO)C(O)C1O;BETA-D-FRUCTOSE
NC(CCC(=O)NC(CS)C(=O)NCC(=O)N)C(=O)O;CPD-6401
COc1cc(O)cc(C(=O)O)c1C(=O)c2c(O)cc(C)cc2O;DESMETHYLSULOCHRIN
NC1COC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C1O;UDP-4-AMINO-4-DEOXY-L-ARABINOSE
OP(=O)(O)O;CPD-9010
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C;CPD-5661
CC(C)C(C)CC(O)C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-712
OCC1OC(O)C(O)C(O)C1OC2OC(COP(=O)(O)O)C(O)C(O)C2O;LACTOSE-6P
CC(=CC=O)CO;CPD-4482
CC(=CC=O)CO;CPD-4483
OC(=O)C(C(=O)O)c1ccccc1;CPD-2462
Cc1ccccc1;TOLUENE
Cc1ncc(COP(=O)(O)O)c(C=O)c1O;PYRIDOXAL_PHOSPHATE
OC1OC(C(O)C(O)C1OC2OC(C(O)C(O)C2O)C(=O)O)C(=O)O;12-BETA-D-GLUCURONOSYL-D-GLUCURONATE
Nc1ccc(C(=O)O)c(O)c1;CPD-8817
NC(CNC(=O)C(=O)O)C(=O)O;N3-OXALYL-L-23-DIAMINOPROPANOATE
OC(CS)C(O)CS;DITHIOERYTHRITOL
O=C1CCc2ccccc2O1;DIHYDROCOUMARIN
ON=Cc1cccnc1;EPYRIDALDOX
CCCCCCCCC(O)CCCCCCCCC(=O)O;CPD-57
CC(=O)NC1C(O)OC(CO)C(OC2OC(CO)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1O;ALPHA-D-GALACTOSYL-13-BETA-D-GALACTOS
NCCCC(N)CC(=O)NC1C(O)C(OC(=O)N)C(O)OC1NC2=NC3C(N2)C(O)CNC3=O;CPD-9011
OCC(=O)c1c[nH]c2ccccc12;INDOLE-3-KETOL
OCC1OC(OC2(CO)OC(CO)C(O)C2O)C(O)C(O)C1O;SUCROSE
OC(=O)C(=C)CC(=O)C(=O)O;CPD-88
CC(O)(CC(=O)C(=O)O)C(=O)O;CPD-89
OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-6741
OC(=O)C(=CC(=CC=O)C(=O)O)O;CPD-87
CSCCC(=O)C(=O)COP(=O)(O)O;CPD-84
CSCCC(=O)C(=CO)O;CPD-85
COc1cc(CCCO)ccc1OC2OC(CO)C(O)C(O)C2O;CPD-82
Oc1ccc(C=Cc2cc(O)cc(O)c2)cc1;CPD-83
OCC(COP(=O)(O)O)OC1OC(CO)C(O)C(O)C1O;2-BETA-D-GLUCOSYL-SN-GLYCEROL-3-PHOSPH
COc1cc(C=CC=O)ccc1OC2OC(CO)C(O)C(O)C2O;CPD-81
Nc1ccccc1C(=O)C(=O)O;ALPHA-AMINOPHENYL-GLYOXYLATE
OCC(O)C(O)C(O)C(=O)CO;PSICOSE
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(O)O)C(O)C(O)C6O)C(C)(CO)C5CCC34C)C2C1;CPD-7612
CNC(C)C(O)c1ccccc1;CPD-2221
O=Cc1cccc2ccccc12;CPD-7614
OC(=O)c1cccc2ccccc12;CPD-7615
Oc1ccc(C=O)cc1O;CPD-7616
O;OH
NC1OC(COP(=O)(O)O)C(O)C1O;5-P-BETA-D-RIBOSYL-AMINE
CCCCCCC(=O)O;CPD-7619
FS(=O)(=O)Cc1ccccc1;CPD-5541
OC(C(=O)O)c1ccccc1;CPD-121
Nc1nccc2[nH]cnc12;3-DEAZAADENINE
CC(=O)SC(CCS)CCCCC(=O)N;S-ACETYLDIHYDROLIPOAMIDE
CC(=O)NC(CCCN)CC(=O)NC1C(O)C(OC(=O)N)C(O)OC1NC2=NC3C(N2)C(O)CNC3=O;CPD-9012
CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C;CPD-8966
CCOP(=S)(OCC)Oc1cc(C)nc(n1)C(C)C;CPD-8965
CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C;CPD-8964
O=C1Nc2ccccc2C1=O;ISATIN
COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4c(OC)c5OCOc5cc24;CPD-8962
COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4c(OC)c5OCOc5cc24;CPD-8961
COc1cc(cc(OC)c1OC)C2C3C(COC3=O)Cc4c(O)c5OCOc5cc24;CPD-8960
CCCC=CC(=O)C=CC=CCCCCCCCC(=O)O;EPOXYOCTA-CPD
NC1C(O)C(O)C(O)C(NC(=N)N)C1O;D-1-GUANIDINO-3-AMINO-13-DIDEOXY-SCYLLO
NC1=NC(=O)NC=C1;CYTOSINE
CSCCC(=O)C(=O)O;CPD-8969
CC(=O)NC(CCC=O)C(=O)O;CPD-469
NC(CCCC(=O)O)C(=O)O;CPD-468
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C)C)C)C;SOLANESYL-PYROPHOSPHATE
COC(=O)C(N)Cc1ccc(OS(=O)(=O)O)cc1;L-TYROSINE-METHYL-ESTER-4-SULFATE
CC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C;CPD-461
CC(C)C1CC=C(C)C2CC=C(C)CC12;CPD-8789
NC(CCNC(CCN1CCC1C(=O)O)C(=O)O)C(=O)O;CPD-463
NC1CCOC1=O;CPD-462
OC1COC(O)C(O)C1O;XYLOSE
CC(=CCCC(=CCCC(=CCCC(=CC1C(COP(=O)(O)OP(=O)(O)O)C1(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;CPD-464
NC(CSCCS(=O)(=O)O)C(=O)O;CPD-467
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;MANNOSE-1P
CC1CO1;R-12-EPOXYPROPANE
OC1OC(C(O)C(O)C1O)C(=O)O;GLUCURONATE
OC(CCC(=O)O)C(=O)O;2-HYDROXYGLUTARIC_ACID
OC(=O)C(=CC=C1C(=O)Cc2ccccc12)O;2OXO1YLIDENE
NCCCCC(=O)N;5-AMINOPENTANAMIDE
OC(=O)CCCCC(=O)O;ADIPATE
OC(CCC(=O)O)C(=O)O;R-2-HYDROXYGLUTARATE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(C(O)C4O)n5cnc6c(N)ncnc56)C(O)C3O;ADENOSINE5TRIPHOSPHO5ADENOSINE
NC1=C(NCC(O)C(O)C(O)CO)NC(=O)NC1=O;AMINO-RIBOSYLAMINO-1H-3H-PYR-DIONE
NCCOP(=O)(O)OCC(N)C(=O)O;CPD-480
CC12CCC3C(CCC4CC(O)CCC34C)C1CCC2O;ALPHA-ANDROSTAN-3BETA17BETA-DIOL
NCCCNC(=O)N;N-CARBAMOYLDIAMINOPROPANE
CC1(C)C2CC(=O)OC1(C)CC2=O;CPD-865
CC1(C)C2CC(=O)C1(C)CC2=O;CPD-864
CC1=CC(=O)C(CC(=O)O)C1(C)C;CPD-866
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O)C(O)C3OP(=O)(O)O;CPD-861
CC1(C)C2CC(=O)C1(C)CC2O;CPD-863
CC1(C)C2CCC1(C)C(=O)C2;CPD-862
CC(=CC(=O)O)C=CC1(O)C2(C)COC1(C)CC(=O)C2;CPD-7725
CC(=CC(=O)O)C=CC1(O)C2(C)COC1(C)CC(O)C2;CPD-7726
CC(=CC(=O)OC1OC(CO)C(O)C(O)C1O)C=CC2(O)C(=CC(=O)CC2(C)C)C;CPD-7727
CCCCCCCCCCCCCC=CC(O)C(N)COC1OC(COS(=O)(=O)O)C(O)C(O)C1O;CPD-518
CC1=C(CCC(=O)O)c2cc3[nH]c(cc4nc(cc5[nH]c(cc1n2)c(CCC(=O)O)c5C)c(CCC(=O)O)c4C)C(=C3C)CCC(=O)O;COPROPORPHYRIN_I
CC1CC=CC2=CCC(CC12C)C(=C)C;CPD-8813
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O;AMP
CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COS(=O)(=O)O)C4(C)CC(O)C23;CPD-517
CC(O)(CC(=O)O)CC(=O)O;CPD-516
CC(=CC(=O)O)C=CC1(O)C(=CC(O)CC1(C)CO)C;CPD-7728
CC(=CC(=O)O)C=CC1(O)C2(C)COC1(C)CC(O)C2;CPD-7729
NCC1CCC(CC1)C(=O)Oc2ccc(CCC(=O)O)cc2;CETRAXATE
OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-3842
OC(=O)Cc1cccnc1;3-PYRIDYLACETIC-ACID
ClC(Cl)Cl;CPD-8214
CC1(CC(O)CC2(CO)C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-885
Cc1cc(O)c2C(=O)c3c(O)cccc3C(=O)c2c1;CPD-8216
SC(Cl)(Cl)Cl;CPD-8211
CC(C)C1CCC(=CCCC(=C)C=C1)C;CPD-8746
CCCCCCCCC1=C(CCCCCCCC(=O)O)C1;STERCULATE
CC(=C1CCC(=CCCC(=CC1)C)C)C;CPD-8744
Nc1nc(O)nc(O)n1;CPD-7400
CC1CCC(CC2=C1CCC2C)C(=C)C;CPD-8749
CC(=C1CCC2(C)CCC=C(C)C2C1)C;CPD-8748
OC(=O)CNC(=N)NP(=O)(O)O;GUANIDINO-ACETATE-P
CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)OO;5Z9E11Z14Z-8R-8-HYDROPEROXYICOSA-TETRAEN
Nc1nc(N)nc(NC2CC2)n1;CPD-7403
OCC1OC(CC1O)n2cnc3C(=O)NC=Nc23;DEOXYINOSINE
Oc1c(Br)cc(cc1Br)C#N;35-DIBROMO-4-HYDROXYBENZONITRILE
CC=C(C)C(=O)OC1CCN2CC3CC(CN4C3CCCC4=O)C2C1;CPD-8918
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;UBIQUINONE-30
NCCC(=O)NC(Cc1c[nH]cn1)C(=O)O;CARNOSINE
CC(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O;S-ACETYLGLUTATHIONE
CCCC(=O)C;PENTAN-2-ONE
CC(O)CSCCS(=O)(=O)O;2-R-HYDROXYPROPYL-COM
OC(=O)CCC(NC=O)C(=O)O;FORMYL-GLU
CC(=O)CP(=O)(O)O;CPD-8873
O=C1NC(=O)c2[nH]cnc2N1;XANTHINE
OC(=O)CP(=O)(O)O;CPD-764
NC(CN1C(=O)NC=CC1=O)C(=O)O;ISOWILLARDIINE
CC12CCC(=C)C(C1)C3(C)CCCC23C;CPD-8238
CC(=O)N(O)c1ccc(cc1)c2ccccc2;N-HYDROXY-4-ACETYLAMINONBIPHENYL
COc1ccc(cc1)C2=COc3cc(O)ccc3C2=O;FORMONONETIN
CCCCCCCCCCCC(O)CC(=O)OC1C(N)C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OC(CO)C1O;UDP-OHMYR-GLUCOSAMINE
OS(=O)(=O)Nc1ccccc1;BENZENAMINE-SULFATE
OC1CCc2ccccc12;1-INDANOL
O=C1Cc2ccccc2C1;2INDANONE
OCC(O)C(O)C=O;ERYTHROSE
CCCCCCCCCCc1c(C)c(O)c(OC)c(OC)c1O;CPD-7249
CC(=CCCC(=CCCC(=CCCC(=CCOCC(O)COP(=O)(O)O)C)C)C)C;SN-GERANYLGERANYLGLYCERYL-1-PHOSPHATE
CC1=CCC(C)(CC1)C2=CCCC2(C)C;CPD-8237
COC(=O)C(=CC(=O)O)CC(=O)O;MONOMETHYL-ESTER-OF-TRANS-ACONITATE
OC(=O)CCC(N1C(=O)c2ccccc2C1=O)C(=O)O;CPD-3662
CC(=C(C)C(=O)O)C(=O)O;DIMETHYLMAL-CPD
CC(C)CC(=O)C(=O)O;2K-4CH3-PENTANOATE
OC(=O)C(=O)C=Cc1ccccc1C(=O)O;CPD-241
OC(=O)C=CC=C(C(=O)O)C(=O)O;CPD-240
Oc1[nH]c2ccccc2c1O;CPD-243
OCC(=O)c1ccc(O)cc1;CPD-242
OC(=O)C=CC(=CC(=O)O)C(=O)O;CPD-245
NC(CO)(CO)CO;TRIS-HYDROCHLORIDE
OC(=O)C(=C(C=CC=O)C(=O)O)O;CPD-247
OC(=O)C=CCC(=O)C(=O)O;CPD-246
S;CPD-249
O=CNc1ccccc1C=O;CPD-248
CC=CC(=O)O;CROTONATE
NC(C(=O)O)c1ccccc1;D-PHENYLGLYCINE
OC(C(=O)O)c1c[nH]c2ccccc12;INDOLE-3-GLYCOLATE
OC1C=CC2=C(C1O)c3ccccc3C2;3-4DH3-4DHFLUORENE
OC(=O)CCCCCCCS;8-THIO-OCTANOATE
OCC1OC(CC1O)OP(=O)(O)O;DEOXY-D-RIBOSE-1-PHOSPHATE
ClC1C(Cl)C(Cl)C(Cl)C(Cl)C1Cl;GAMMA-HCH
Cn1cnc2c(NCc3ccccc3)nc(NCCO)nc12;CPD-5442
CCOC(=O)CC(=O)C;ETHYL-ACETOACETATE
CC(CCC(=O)O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;3-OXO-5-BETA-CHOLANATE
CC(OP(=O)(O)O)C(NC(=O)CCCCCCS)C(=O)O;CPD-1281
OC1=CC(=O)c2cccc(O)c2C1=O;CPD-275
CC(OP(=O)(O)O)C(NC(=O)CCCCCCSSCCS(=O)(=O)O)C(=O)O;CPD-1282
OC1C(O)C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OCC1NC=O;UDP-L-ARA4-FORMYL-N
COc1cc(CC2NCCc3cc(OC)c(O)cc23)ccc1O;NORORIENTALINE
NC(CC#N)C(=O)O;CPD-603
NC(C(O)c1ccccc1)C(=O)O;CPD-644
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;CPD-8587
NC(CCCC(NC(=O)CCC(=O)O)C(=O)O)C(=O)O;n-succinylll-2,6-diaminopimelate
CC(O)(CCOP(=O)(O)OP(=O)(O)O)CC(=O)O;CPD-641
CC=C1CC(C)C(C)(O)C(=O)OCC2=CC[N+]3([O-])CCC(OC1=O)C23;CPD-8987
NC(C(O)COP(=O)(O)O)C(=O)O;4-PHOSPHONOOXY-THREONINE
NC(=O)N(CC(=O)O)c1ccccc1;N-CARBAMOYL-D-PHENYLGLYCINE
OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O;CHLOROGENATE
OCC(NC(=O)c1cccc(O)c1O)C(=O)O;N-23-DIHYDROXYBENZOYL-L-SERINE
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1;CPD-7610
CCCCCCCCCCCCCCCC(O)C(N)COP(=O)(O)O;CPD-649
CC(=O)NC(CC(=O)NC1OC(CO)C(OC2OC(CO)C(OC3OC(CO)C(O)C(O)C3O)C(O)C2NC(=O)C)C(O)C1NC(=O)C)C(=O)N;CPD-8588
CC1CCC2C(=CC3CC(C)(C)CC123)C;CPD-1763
OC(=O)CCC(C(CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCc1ccc(OCc2coc(C[N+])c2)cc1)C(=O)O)C(=O)O)C(=O)O)C(=O)O;METHANOFURAN
ON(O)C(Cc1ccc(O)cc1)C(=O)O;CPD-7070
CC1=CCC2(C)CC1C3(C)CCCC23C;CPD-8235
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCC=CCC=CCC)COP(=O)(O)O;CPD-8368
COc1cc(ccc1O)C2CC(=O)c3c(O)cc(O)cc3O2;CPD-7071
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO;CPD-8365
OCC(=O)CO;DIHYDROXYACETONE
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC(O)CO;CPD-8367
NP(=O)(O)O;PHOSPHORAMIDATE
NC(CCC(=O)OP(=O)(O)O)C(=O)O;L-GLUTAMATE-5-P
CSCCS(=O)(=O)O;Me-CoM
CC1(C)OC2CC(=O)OCC23C4CCC5(C)C(OC(=O)C6OC56C4(C)C(=O)CC13)c7cocc7;LIMONIN
NC(=C(C=CC=O)C(=O)O)C(=O)O;2-AMINO-3-3-OXOPROP-2-ENYL-BUT-2-ENEDI
CC(=O)Nc1ccccc1;N-ACETYLARYLAMINE
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1;THIAMINE
NC1C(O)C(O)C(CO)OC1OP(=O)(O)O;GLUCOSAMINE-1P
CCCC(=O)O;BUTYRIC_ACID
O[CH]C(=O)CC(=O)C(=O)O;5-OH-2-4-DIOXOPENTANOATE
CC(=O)C1C(O)CC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;16-ALPHA-HYDROXYPROGESTERONE
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)O)C(O)C3O)C(=O)N1;GDP
CC(C)C1CCC2(C)C3CC=C(C)C2C13;CPD-8234
CC(C)(C=O)C(O)C(=O)O;CPD-376
NC1CC1;CPD-7406
CCCCCCCCCC(CCCCCCCCCCCC(=O)O)OC1OC(CO)C(O)C(O)C1O;CPD-803
NC(=S)NCC=C;ALLYLTHIOUREA
CCC(=O)C;MEK
CC(=O)NC(C(O)C(O)C(O)CO)C(=O)O;CPD-370
CSCCC(N)C(=O)O;MET
OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O;CELLOTRIOSE
Oc1cccc2C(=O)c3ccccc3c12;4H9FLUORENONE
NC1=[NH+]C(=O)C2=C(NCC(=N2)CNc3ccc(cc3)C(=O)O)N1;7,8-dihydropteroate
OCC(O)C(O)C(O)C(=O)O;CPD-373
NCCCCCC(=O)N;CPD-7790
OP(=O)O;PHOSPHONATE
CCCCCCCCCCCCCCCCC(O)C(=O)O;R-2-HYDROXYSTEARATE
CSCCC(=O)C(=O)O;CPD-479
OC(=O)CC1OC(=O)C=C1C(=O)O;CPD-761
OCCCCCCCCC1OC1CCCCCCCC(=O)O;910-EPOXY-18-HYDROXYSTEARATE
CC1=CCC(C)(C)C=CCC(=CCC1)C;CPD-8233
OC1OC(C=O)C(O)C(O)C1O;CPD-155
CCCCCCCCCCCCCCC=CCC=CCCCCCCCC;CPD-7928
CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCCC;CPD-7929
CSCC1OC(CC1O)OP(=O)(O)O;CPD-7298
CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=O)C)C=CC=O;CPD-7968
OCC1OC(O)C(O)C(O)C1O;ALPHA-GLUCOSE
CC1=CCC2(CC1)C(=C)CCCC2(C)C;CPD-8241
CCCCCCCCCCCCCCCCCCC=CCC=CCCCCCCCC;CPD-7922
CCCCCCCCCCCCCCCCCCC=CCCCCC;CPD-7920
CC(=CCCC(=O)C)C;CPD-7969
CC(=O)OC1CC(=C2C(CC3(C)CCC(OC(=O)C)C(=C)C3C(OC(=O)C)C1C2(C)C)OC(=O)C)C;TAXUYUNNANIN-C
OC(=O)CCC(=O)C=CC=C(O)C(=O)O;CPD-157
C1CCC2C(C1)CCC3C4CCCC4CCC23;STERONE-RING
CC(C)CC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O;INDOLE-3-ACETYL-LEU
OC(=O)C(=O)C=Cc1c(O)cc(O)nc1C(=O)O;CPD-156
CC1=NCCC(N1)C(=O)O;ECTOINE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCc1cc(ccc1O)C(=O)O)C)C)C)C)C)C)C)C;3-OCTAPRENYL-4-HYDROXYBENZOATE
COc1c2OC(=O)C=Cc2cc3ccoc13;8-METHOXYFURANOCOUMARIN
OCC(=O)C(O)C(O)C(O)C(O)COP(=O)(O)O;D-SEDOHEPTULOSE-7-P
CC(C)C(=C)CCC(C)C1CCC2C3=CCC4C(C)C(O)CCC4(C)C3CCC12C;CPD-4101
CC(C(=O)O)C(O)(CC(=O)O)C(=O)O;CPD-622
COc1ccc(C2COc3cc(O)ccc3C2O)c(O)c1;CPD-3441
Cc1ccc(C=O)cc1;4-METHYLBENZALDEHYDE
OC(=O)C(=O)Cc1ccc(O)cc1;P-HYDROXY-PHENYLPYRUVATE
OC(=O)CCCC(=CC(=O)O)C(=O)O;CPD-153
OC1C2(Cl)C3(Cl)C4(Cl)C(Cl)(Cl)C5(Cl)C(Cl)(C1(Cl)C35Cl)C24Cl;CHLORDECONE-ALCOHOL
NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N=CNCC(=O)C(O)C(O)COP(=O)(O)O;PHOSPHORIBULOSYL-FORMIMINO-AICAR-P
OCC1NCC(O)C(O)C1O;CPD-8072
NC1=NC(=O)C2=C(C=NC2=N1)C#N;7-CYANO-7-DEAZAGUANINE
OC(=O)CCC1NC=NC1=O;4-IMIDAZOLONE-5-PROPIONATE
OCC12OCC(O1)C(O)C(O)C2O;CPD-3614
CC=C1CN2C3Cc4c([nH]c5ccccc45)C2CC1C3C=O;16-EPIVELLOSIMINE
OC(COP(=O)(O)O)C(O)C(O)C=O;RIBOSE-5P
CCCCC=CC=CC=CCCCCCCCC(=O)O;CPD-8231
OC(=O)CCCCCCCC=CCCCCCCCC(=O)O;OCTADEC-9-ENE-118-DIOIC-ACID
CC(O)C(C)O;BUTANEDIOL
NC(CCC(=O)O)C=O;GLUTAMATE-1-SEMIALDEHYDE
COCCN;2-METHOXYETHYLAMINE
CC(N)CC(=O)CC(=O)O;CPD-159
COc1cc(C=CC(=O)O)ccc1O;FERULIC-ACID
CC(=O)NCCCCC(N)C(=O)O;EPSILON-N-ACETYL-L-LYSINE
Oc1ccc(CC(=O)Nc2ncc(nc2Cc3ccccc3)c4ccc(O)cc4)cc1;OXIDIZED-OPLOPHORUS-LUCIFERIN
CCCC(=O)OC12C(O)C(C)C3(O)C(C=C(C)CC4(O)C3C=C(C)C4=O)C1C2(C)C;PHORBOL-13-BUTANOATE
Cc1ncc(COP(=O)(O)O)c(CN)c1O;PYRIDOXAMINE-5P
CC(O)(CO)C(O)COP(=O)(O)O;2-C-METHYL-D-ERYTHRITOL-4-PHOSPHATE
OC1CC(OC1COP(=O)(O)OP(=O)(O)O)N2C=CC(=O)NC2=O;DUDP
CC1=CCCC(=C)C2CC(C)(C)C2CC1;CPD-8230
OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O;CPD-1141
CC(O)CC(=O)O;CPD-335
OCC(CO)OP(=O)(O)O;2-GLYCEROPHOSPHATE
CCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C;L-OCTANOYLCARNITINE
O=C1CCCCO1;5-VALEROLACTONE
CC(=CCC=C(C)C=C)C;CPD-4903
CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8272
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8271
NC(=O)NCCC(=O)O;3-UREIDO-PROPIONATE
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC;CPD-8080
CC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C;GERANYLGERANYL-PP
OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)cc2)C1O)C(=O)O;TRANS-5-O-4-COUMAROYL-D-QUINATE
OCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7838
C[n+]1ccccc1;CPD-393
CC(=C)C1CCC(=CCCC(=CC1)C)C;CPD-8743
OC(=O)C(=O)COP(=O)(O)O;3-P-HYDROXYPYRUVATE
CNCCc1ccc(O)cc1;CPD-391
ClC1C=C(Cl)C(Cl)C(Cl)C1Cl;GAMMA-PENTACHLOROCYCLOHEXANE
CCC=CCC1C(CC(=O)OC)CCC1=O;CPD1F-2
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O;UDP-N-ACETYL-D-GLUCOSAMINE
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8274
OC(=O)C(=CC=C(=O)C(=O)O)Cl;2-CHLOROMALEYLACETATE
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)O)C)C)C)C)C)C)C)C)C)C;DECAPRENOL-PHOSPHATE
N;AMMONIUM
CCCCCC=CCC(O)C=CC=CC=CC(O)CCCC(=O)O;6Z8E10E14Z-5S12R-512-DIHYDROXYI
FC(=C(Cl)Cl)Cl;TRICHLOROFLUOROETHENE
OCC(O)C1OC(=O)C(=O)C1O;2-KETO-L-GULONOLACTONE
OC(=O)c1ccc(cc1)S(=O)(=O)O;CPD-257
CCCCCCCCCCCC(O)CC(=O)NC1C(O)OC(CO)C(OP(=O)(O)O)C1OC(=O)CC(O)CCCCCCCCCCC;3-HYDROXYACYL-GROUP-OF-BACTERIAL-TOXIN
CCCCO;BUTANOL
CC(O)C(=O)O;L-LACTATE
OC(=O)CCc1ccccc1;3-PHENYLPROPIONATE
NC(CCOc1ccc(cc1)C(=NO)C(=O)NC2CN(C(C(=O)O)c3ccc(O)cc3)C2=O)C(=O)O;ISONOCARDICIN-A
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC(=O)C2(C)CC(O)CC2(C)C;CAPSANTHIN
CCCCCC=CCC=O;C-3-NONENAL
CC(C)C1CCC2(C)CCC=C(C)C2C1;CPD-8809
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;3-ALPHA-HYDROXY-5-BETA-CHOLANATE
NC(CC(=CC=O)C=C(O)C(=O)O)C(=O)O;CPD-253
CC1NC(=O)NC1CCCCCC(=O)O;DETHIOBIOTIN
OC(C(=O)O)c1ccc(O)cc1;4-HYDROXYMANDELATE
Cc1ncc(CO)c(CO)c1O;PYRIDOXINE
COC(=O)C1=COC(O)C(C=C)C1CC2NCCc3c2[nH]c4ccccc34;STRICTOSIDINE-AGLYCONE
OC1CCN2CC3CC(CN4C3CCCC4=O)C2C1;13-HYDROXYLUPININE
CNCCc1c[nH]cn1;N-METHYL-HISTAMINE
CCCCCCCCC=CCCCCCCCC(=O)OCC(O)COP(=O)(O)OCC[N+](C)(C)C;CPD-8346
OCC1OC(O)C(O)C(O)C1O;GALACTOSE
CSCCC(C)(N)C(=O)O;ALPHA-METHYLMETHIONINE
NCCc1c[nH]c2ccccc12;TRYPTAMINE
CS(=O)CCC(N)C(=O)O;L-METHIONINE_SULFOXIDE
COc1ccc2CC(=O)c3cc4OCOc4cc3CCN(C)Cc2c1OC;ALLOCRYPTOPINE
OC1Oc2cc(O)ccc2C(=O)C1c3ccc(O)cc3;2-HYDROXYISOFLAVANONE
COC1=C(Oc2cc(OC)c(OC)c(O)c2C1=O)c3ccc(O)c(O)c3;345-TRIHYDROXY-367-TRIMETHOXYFLAVO
CC1C(=O)Nc2ccccc12;3-METHYLOXINDOLE
CC12CCCC(C)(C1C(O)C(O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD-5001
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc2ccc(O)cc2;CPD-7119
OC1C=CC=CC1(O)C(=O)O;CPD-7118
OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4cc(O)c(O)c(O)c4)C(O)C(O)C1O;CPD-7117
CC(C)CC(=O)C1=C(O)C(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C;CPD-7116
CC(C)C(=O)C1=CC(O)(C(CC=C(C)C)C1=O)C(=O)CC=C(C)C;CPD-7115
CCCCCC=CC(OO)C=CCCCCCCCC(=O)O;CPD-7114
CCCCCC=CCC=CC(O)C(O)CCCCCC(=O)O;CPD-7113
CC(C)C(=O)C1=C(O)C(=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O)CC=C(C)C;CPD-7111
CC(C)CC(=O)C1=C(O)C(=C(O)C(CC=C(C)C)(CC=C(C)C)C1=O)CC=C(C)C;CPD-7110
Clc1ccc(Cl)c(Cl)c1;124-TCB
CC(C)C(C)C(O)C(O)C(C)C1CCC2C3CC(O)C4CC(O)C(O)CC4(C)C3CCC12C;CPD-724
OCC(O)C(O)C(O)C(O)COP(=O)(O)O;MANNITOL-1P
OCC1OC(C(O)C(O)C1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(O)cc4;VITEXIN
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;ALPHA-GLC-6-P
OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O;TRANS-5-O-CAFFEOYL-D-QUINATE
COC1C(O)C(O)C(O)C(O)C1O;CPD-8051
OC1=C(CC2=C(O)c3ccccc3OC2=O)C(=O)Oc4ccccc14;DICOUMAROL
O;WATER
CCC12CC(=C3Nc4ccccc4C35CCN(CC=C1)C25)C(=O)OC;TABERSONINE
CC(N)C(=O)OC(COP(=O)(O)O)C(O)C(O)CO;CPD-70
Oc1ccc2C=CC(=O)Oc2c1O;78-DIHYDROXYCOUMARIN
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc5OCOc45;S-CHEILANTHIFOLINE
NC(=O)C(=O)CCC(=O)O;4-OXOGLUTARAMATE
CC(CCC(O)C(CO)COS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;5-BETA-SCYMNOL-SULFATE
OC(CC(=O)C(=O)O)C(O)C(=O)O;5-KETO-4-DEOXY-D-GLUCARATE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)C1=O;GDP-4-DEHYDRO-6-DEOXY-D-MANNOSE
NC(CSS)C(=O)O;THIOCYSTEINE
OCC(O)C(O)C(=O)COP(=O)(O)O;D-RIBULOSE-1-P
CC1=CN(C2CC(O)C(CO)O2)C(=O)NC1=O;THYMIDINE
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCCCCC;CPD-2189
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)n3cnc4C(=O)NC(=Nc34)N)C(O)C(O)C1O;GUANOSINE_DIPHOSPHATE_FUCOSE
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;TAUROLITHOCHOLATE
NC(CC(=C)C(=O)N)C(=O)O;CPD-74
OC(=O)c1cc(SSc2ccc(c(c2)C(=O)O)[N+](=O)[O-])ccc1[N+](=O)[O-];55-DITHIO-BIS2-NITROBENZOIC-ACID
OC1C(O)C(Nc2ccccc2C(=O)O)OC1COP(=O)(O)O;N-(5-PHOSPHORIBOSYL)-ANTHRANILATE
NC(C(O)C(=O)O)C(=O)O;THREO-3-HYDROXY-L-ASPARTATE
OC(C(=O)c1ccccc1)c2ccccc2;CPD-647
CCCC=CC=O;TRANS-2-HEXENAL
OC(=O)CC=CC(=O)C(=O)O;CPD-8742
COc1cc(CCCO)ccc1O;CPD-94
NC1=Nc2ncc(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)nc2C(=O)N1;FOLATE
[I-];CPD-387
CCC1C2CC3C4Nc5ccccc5C46CC(C2C6OC(=O)C)N3C1O;17-O-ACETYLNORAJMALINE
NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O;S-NITROSOGLUTATHIONE
O=C1NC=Nc2[nH]cnc12;HYPOXANTHINE
OC(=O)C1=NCCSC1;34-DEHYDRO-14-THIOMORPHOLINE-3-CARBOXY
OCC(O)C(O)C(O)CN1C2=NC(=O)NC(=O)C2=Cc3ccc(O)cc13;CPD-7602
OCC(O)CC(=O)C(=O)O;2-DH-3-DO-D-ARABINONATE
CC=CC=O;CPD-7600
CC(OP(=O)(O)OCC(O)C(O)C(O)CN1C2=NC(=O)NC(=O)C2=Cc3ccc(O)cc13)C(=O)NC(CCC(=O)O)C(=O)O;CPD-7607
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCCCC;CPD-7819
NC(=O)C1=C[N+](C(O)CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;CPD-653
OCC(COP(=O)(O)O)OC1OC(CO)C(O)C(O)C1O;CPD-456
CC1(C)CC(O)C2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1;CPD-7609
CC1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC34C)C2C1;CPD-7608
NC1=NC2=C(N(C=N)C(CNc3ccc(cc3)C(=O)NC(CCC(=O)O)C(=O)O)CN2)C(=O)N1;5-FORMIMINO-THF
OC(=O)CCC=O;SUCC-S-ALD
NC(CCSC(F)(F)F)C(=O)O;TRIFLUOROMETHIONINE
OC1CNC(C1)C(=O)O;CIS-4-HYDROXY-D-PROLINE
CC(=O)NC1C(O)OC(CO)C(OC2OC(COC3(CC(O)C(NC(=O)C)C(O3)C(O)C(O)CO)C(=O)O)C(O)C(O)C2O)C1O;ALPHA-N-ACETYLNEURAMINYL-26-BETA-D-GALA
COc1cc(cc(OC)c1OC)C2C3C(COC3=O)C(O)c4cc5OCOc5cc24;CPD-8959
CCOC(=O)C(C)C(=O)C;ETHYL-2-METHYLACETOACETATE
NC(=[N+])NC1C(O)C(O)C(OP(=O)(O)O)C(NC(=[N+])N)C1O;STREPTIDINE-6-PHOSPHATE
OC(=O)CC(=O)c1ccccc1;BENZOYL-ACETATE
COc1ccc2C3Oc4cc5OCOc5cc4C3(O)COc2c1;CPD-3944
CC(C)C(C)CC(O)C(C)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;CPD-3945
CC(C)C(C)CC(O)C(C)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-3946
OC(=O)CC1=CCC(=O)O1;3-OXOADIPATE-ENOL-LACTONE
CC(C)C(C)CCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C;CPD-3941
Oc1ccc2C3Oc4cc5OCOc5cc4C3(O)COc2c1;CPD-3942
CC(C)C(C)CC(O)C(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-3943
COC(=O)C1(C=O)C2CC3C(=Nc4ccccc34)C5CC1C(=CC)CN25;POLYNEURIDINE-ALDEHYDE
CCCCN;BUTYLAMINE
CC12CCC3C(CC=C4CC(O)CCC34C)C1CCC2=O;DEHYDROEPIANDROSTERONE
Oc1cc(O)c2c(O)cc(O)cc2c1;TETRAHYD-CPD
NCCC=O;CPD-6082
OCCCCCCCCC(O)C(O)CCCCCCCC(=O)O;91018-TRIHYDROXYSTEARATE
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CPD-7409
NC(=O)CCC(=O)C(=O)O;2-KETO-GLUTARAMATE
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC;CPD-7758
OC(CCC(=O)O)C(=O)O;CPD-381
CC(=O)CC(=O)C;CPD-8879
OC1C=C(Cl)C(O)C=C1Cl;25-DDOL
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C)C)C)C)C;NEUROSPORENE
CN1C(=O)NC(=O)c2c1ncn2C;3-7-DIMETHYLXANTHINE
OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3;CPD-1961
CC(=CCc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc(O)cc3O)C;CPD-6642
CC(C)(O)C#N;2-HYDROXY-2-METHYLPROPANENITRILE
CC(=CCc1c(O)cc2OC=C(C(=O)c2c1O)c3ccc(O)cc3)C;CPD-6644
CC(=CCc1c(O)cc(O)c2C(=O)C(=COc12)c3ccc(O)cc3O)C;CPD-6645
Oc1ccc(C2COc3cc(O)cc(O)c3C2=O)c(O)c1;CPD-6646
CNC(C)C(=O)O;CPD0-1058
COc1cc(C=CC(=O)NCC(=O)O)ccc1O;N-FERULOYLGLYCINE
CC(N)(CO)C(=O)O;CH3-SER
OC(=O)c1cc(O)c2ccccc2c1O;DIHYDROXYNAPHTHOATE
OC(=O)CC1(OC(=O)C=C1)C(=O)O;CPD-7737
CC(=O)CC(=O)C(=O)O;CPD-8875
CC(C)CCCC(C)CCCC(C)CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C;2-METHYL-3-PHYTYL-14-NAPHTHOQUINONE
COc1cc(C=CC(=O)OC2OC(CO)C(O)C(O)C2OC(=O)C=Cc3cc(OC)c(O)c(OC)c3)cc(OC)c1O;12-BIS-O-SINAPOYL-BETA-D-GLUCOSIDE
Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(Nc5nc(Cl)nc(Nc6ccccc6S(=O)(=O)O)n5)c(c4)S(=O)(=O)O)cc1S(=O)(=O)O;CPD-8829
NC(CCS)C(=O)O;CPD-8826
OC(=O)CCC(=O)C(Cl)C(=O)O;CPD-8827
CC1=CC(O)C(O)C=C1;CPD-8824
CC(C)OP(=O)(F)OC(C)C;DIISOPROPYL-FLUOROPHOSPHATE
OC1C=CC=C(C1O)c2ccccc2;CPD-8822
CCC1=CC(O)C(O)C=C1;CPD-8823
OC1C=Cc2cc3ccccc3cc2C1O;CPD-8820
OC1C=Cc2c(ccc3ccccc23)C1O;CPD-8821
CC1CCC2C(C)(C)C3CC12CC=C3C;CPD-8776
CC1CCC2C(C)(C)C3CC12CCC3=C;CPD-8777
Cc1cccc(C=O)c1;CPD-8774
Cc1ccc(cc1)C(=O)O;CPD-8775
Cc1ccc(C=O)cc1;CPD-8773
CC1=CC2C(CC1)C2(C)C;CPD-8771
Fc1ccccc1;CPD-8871
[Cl-];CL-
C=CC=O;ACROLEIN
Clc1cccc(C=O)c1;CPD-8778
COc1cccc(C=O)c1;CPD-8779
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C)C(O)c2ccccc2C1O)C)C)C)C)C)C)C)C;REDUCED-MENAQUINONE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)C(O)CC1O;CDP-36-DIDEOXY-D-MANNOSE
CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-];PARAOXON
OC1OC(C(O)C(O)C1O)C(=O)O;IDURONATE
NC(Cc1c[nH]c2ccccc12)C(=O)O;TRP
OC(=O)CBr;BROMOACETATE
CC(NC(=O)C(C)OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C1NC(=O)C)C(=O)O;UDP-ACETYLMURAMOYL-ALA
Nc1ccc2ccccc2c1S(=O)(=O)O;CPD-8814
CC(C)(COCCCO)Nc1cccc2C(=O)CCCc12;5-TERT-BUTYLAMINOL-2-HYDROXYPRO-34-DIHYD
CC(=O)CS(=O)(=O)O;CPD-8874
CC1CCC(C(O)C1)C(C)(C)O;PARA-MENTHANE-38-DIOL
COc1cccc2[nH]cc(CC(=NOS(=O)(=O)O)SC3OC(O)C(O)C(O)C3CO)c12;4-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE
OCC1NCC(O)C(O)C1O;15-DIDEOXY-15-IMINO-D-GALACTITOL
COC1=CC23CCN(C)C(Cc4ccc(OC)c(O)c24)C3=CC1=O;SALUTARIDINE
CN1C(CC(O)C1=O)c2cccnc2;CPD-2750
Nc1ccccc1C(=O)CC(=O)C(=O)O;CPD-476
CC12CC(O)CC(C)(C1C(C(=O)O)C34CC(=C)C(O)(CCC23)C4)C(=O)O;CPD-477
OC1C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;CPD-474
CC12CC(O)CC(C)(C1C(C(=O)O)C34CC(CCC23)C(=C)C4)C(=O)O;CPD-475
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1N;CPD-472
OC(=O)CCC(=O)C=O;CPD-473
NCCC(N)C(=O)O;CPD-470
CC(CN)C(=O)O;CPD-471
OC(C(CC(=O)O)C(=O)O)C(=O)O;threo-d(s)-iso-citrate
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CCCC1(C)C)C)C)C)C)C;CPD-7422
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C=CC=C(C)C=CC2C(=CC(O)CC2(C)C)C;CPD-7421
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CC(O)CC1(C)C)C)C)C)C;CPD-7420
COc1cc(cc(CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c1O)C(=O)O;3-HEXAPRENYL-4-HYDROXY-5-METHOXYBENZOATE
OCC(O)C(O)C(O)C(O)C(=O)CO;SEDOHEPTULOSE
OC(=O)C1CCC=N1;CPD-478
CC(C)CC(=O)c1c(O)cc(O)cc1O;3-METHYL-1-246-TRIHYDROXYPHENYLBUTAN
OS(=O)(=O)O;NA2SO4
CCCC(=O)C(=O)O;CPD-3618
Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-];CPD-8179
CCC(=O)C(=O)O;2-OXOBUTANOATE
CC(=O)NC(CO)C(O)C(O)C(O)CO;CPD-3615
OC1C(O)C(OC1COP(=O)(O)O)n2cnc3C(=O)NC(=O)Nc23;XANTHOSINE-5-PHOSPHATE
CCCCCCCCCC(=O)O;CPD-3617
CC(=CCCC(=O)C)C;CPD-8170
COC1OC(C(O)C(O)C1O)C(=O)O;CPD-3611
COC1OC(CO)C(O)C(O)C1O;CPD-3612
COC1OCC(O)C(O)C1O;CPD-3613
COc1cc2CCN3Cc4c(OC)c(OC)ccc4C(C)C3c2cc1OC;CORYDALINE
CC(O)C(O)C(O)C(O)C(=O)O;L-RHAMNONATE
CCCCCCCCC(C)CCCCCCCCC(=O)O;TUBERCULOSTEARATE
OC(COP(=O)(O)O)C(O)c1c[nH]c2ccccc12;INDOLE-3-GLYCEROL-P
Oc1ccccc1[N+](=O)[O-];CPD-258
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O;5Z13E-15S-11-ALPHA15-DIHYDROXY-9-O-ENOAT
OC(=O)c1ccccc1Cl;CPD-256
CC1OC(CC(=O)O)CC2=C1C(=O)c3c(O)c(C)cc(O)c3C2=O;CPD1A0-6123
CC(O)C(=O)C;CPD-255
NC(CC(=CC=C(O)C(=O)O)C=O)C(=O)O;CPD-252
Cc1ncc(CO)c(CN)c1O;PYRIDOXAMINE
Oc1ccc2[nH]cc(CCNC(=O)C=Cc3ccc(O)c(O)c3)c2c1;CPD-8934
OC(CC(=O)O)C(=O)O;CPD-660
NCCCC=O;4-AMINO-BUTYRALDEHYDE
CC(=O)OCC[N+](C)(C)C;ACETYLCHOLINE
NC1CC(N)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC3OC(CO)C(O)C(N)C3O;CPD-4824
CC12CCC3C(CCc4cc(OC5OC(C(O)C(O)C5O)C(=O)O)ccc34)C1CCC2O;ESTRADIOL-ETCETERA-GLUCURONOSIDE
ON=NO;CPD-1541
CCCCCCCCCCCCCCCCCC(=O)OCC(COC1OC(CO)C(O)C(O)C1O)OC(=O)CCCCCC=CCC=CCC=CCC;CPD-8313
NC(=O)CCC(=O)O;CPD-8979
ClC(Cl)C(Cl)Cl;1122-TETRACHLOROETHANE
OCC1OC(C(OP(=O)(O)O)C1O)N2C=CC(=O)NC2=O;CPD-3723
OC(=O)C1CCC(=O)N1;CPD-656
NC#N;CPD-657
OC(=O)C(=O)CCC=O;CPD-654
NC(C(O)C(=O)O)C(=O)O;CPD-655
OC1CC(OC1COP(=O)(O)O)N2C=C(F)C(=O)NC2=O;CPD-6061
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)C(O)C(O)C1=O;CPD-658
NC(CC1(C=CC(O)C=C1)C(=O)O)C(=O)O;CPD-659
OC(=O)C1=NCCCC1;delta(1)-piperideine-2-carboxylate
OCC#CC=O;4-HYDROXY-2-BUTYNAL
C1CCCCC1;CPD-8923
CC(O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;PREGNANEDIOL
OCC1OC(=O)C(O)C(O)C1O;D-ALDONOLACTONE
CN1C2CC(CC1C3OC23)OC(=O)C(CO)c4ccccc4;SCOPOLAMINE
OCC1OC(Oc2ccc(O)cc2)C(O)C(O)C1O;HYDROQUINONE-O-BETA-D-GLUCOPYRANOSIDE
CC(=O)NC1C(O)OC(CO)C(O)C1O;N-ACETYL-D-GLUCOSAMINE
II;IODINE-MOLECULE
OP(=O)(O)Oc1ccc(cc1)[N+](=O)[O-];NO2-PHEN-P
CC1(C)CCC2(C)CCC3(C)C(CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2=C1;GERMANICOL
OC1CC2CCC(O)(N2)C1O;CPD-8001
Oc1cc(O)c(O)c(Cl)c1;6-CHQ
NC(=O)CI;IODOACETAMIDE
COc1cc(ccc1O)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;CPD-8004
OS(=O)(=O)O;CPD-8005
OCC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)c(O)c4)O)C(O)C(O)C1O;CPD-8006
OCC1OC(Oc2cc(O)c3C(=O)C(=C(Oc3c2)c4ccc(O)cc4)O)C(O)C(O)C1O;CPD-8007
NC(Cc1ccc(OP(=O)(O)O)cc1)C(=O)O;CPD-3728
COc1cc2OCOc2c3CN(C)c4c(cc(OC)c5cc6OCOc6cc45)c13;DIHYDROMACARPINE
Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccc(O)c(OS(=O)(=O)O)c3)OS(=O)(=O)O;QUERCETIN-33-BISSULFATE
NC1=CC(=NC(=N)N1O)N2CCCCC2;CPD-7668
CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-];PARATHION
NC(CS(=O)=O)C(=O)O;L-CYSTEINE_SULFINATE
CC(=O)NC1C(O)C(O)C(OC1OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(=O)O;UDP-MANNACA
NC(Cc1cnc[nH]1)C(=O)O;HIS
Oc1ccc(cc1)C2=COc3cc(O)ccc3C2=O;DAIDZEIN
Oc1nc(O)c2nccnc2n1;24-DIHYDROXYPTERIDINE
C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;CDP-CHOLINE
COc1cc2C=CC(=O)Oc2cc1O;SCOPOLETIN
OCC1OC(Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O)c4)C(O)C(O)C1O;LUTEOLIN-7-O-BETA-D-GLUCOSIDE
CC(=O)OC12COC1CC(O)C3(C)C2C(OC(=O)c4ccccc4)C5(O)CC(O)C(=C(C(O)C3=O)C5(C)C)C;10-DEACETYLBACCATIN-III
Oc1ccc(C=CC(=O)c2ccc(O)cc2O)cc1;CPD-3041
CC12CCCC3(COC1=O)C4CCC5(O)CC4(CC5=C)C(C23)C(=O)O;GIBBERELLIN-44
CC1(C)SC2C(NC(=O)Cc3ccccc3)C(=O)N2C1C(=O)O;PENICILLIN-G
COc1ccc(C=O)cc1O;CPD-8489
O[N+](=O)c1cccc(c1)[N+](=O)O;13-DINITROBENZENE
COc1cc(C=CC(=O)OC(C(=O)O)C(=O)O)cc(OC)c1O;SINAPOYLTARTRONATE
OC(=O)CCCCCCC(=O)NCC(=O)O;CPD-8484
O=C1C=C(Oc2ccccc12)c3ccccc3;CPD-8485
COc1cc(cc(OC)c1O)C(=O)O;CPD-8486
c1cnc2c(c1)ccc3cccnc23;O-PHENANTHROLINE
Cc1cccc(O)c1C(=O)O;CPD-637
CCC(CCC(C)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C)C(C)C;CPD-8481
CC1(C)CCC2(CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C)C5CCC34C)C2C1)C(=O)O;CPD-8482
CC1CCCC2=CCC(CC12C)C(=C)C;ARISTOLOCHENE
OC1C=CC=C(C1O)c2ccccc2;2R3S-3-PHENYLCYCLOHEXA-35-DIENE-12-
CCCCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7939
NC(CCC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O;GAMMA-GLUTAMYL-D-GLUTAMATE
OC(CN1CC(O)C1C(=O)O)C(NCCC(O)C(=O)O)C(=O)O;CPD-7289
CC(CO)CCCC(C)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C;CPD-7288
CCCCCCCCCCCCCCCCCCCCC;CPD-7935
CC(CCCC(C)(C)O)C1CCC2C3C(O)C=C4CC(O)CCC4(C)C3CCC12C;CPD-7286
CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-7285
CC(CCC(=O)O)C1CCC2C3CC(O)C4CC(O)CCC4(C)C3CCC12C;CPD-7284
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;CPD-7283
CCCCCCCCCCCCCCCCCC=CCCCCCCCC;CPD-7930
CCCCCCCCCCCCCC=CCCCCCCCC;CPD-7933
CCCCCCCCCCCCCCCC=CCCCCCCCC;CPD-7932
OC(=O)C=CC=C(O)C(=O)O;2-HYDROXYMUCONATE
OCC1OC(O)C(O)C(O)C1O;CPD-3607
OCC=Cc1ccc(O)cc1;COUMARYL-ALCOHOL
CN(CC(=O)O)C(=O)N;CARBAMOYL-SARCOSINE
N#CCc1ccccc1;PHENYLACETONITRILE
CNCCO;CPD-5601
CC(C)CN;CPD-630
O=C1CCCCCNC(=O)CCCCCN1;CPD-3921
NC(CC(=O)c1cccc2OC3=CC(=O)c4nc(cc(O)c4C3Nc12)C(=O)O)C(=O)O;512-DIHYDROXANTHOMMATIN
OC(=O)O;H2CO3
OC(=O)c1ccc(O)c(O)c1;3,4-DIHYDROXYBENZOATE
CC(=CCO)C;PRENOL
NC1C(O)OC(COP(=O)(O)O)C(O)C1O;D-GALACTOSAMINE-6-PHOSPHATE
CC(Cl)(Cl)Cl;111-TRICHLOROETHANE
CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O;GLYCYRRHETINATE
CC1CCC=C(C)C12CCC(C2)C(=C)C;CPD-4703
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C4CC3)C(=O)O;CPD-4702
OCC1OC(Oc2cc(O)c3C(=O)CC(Oc3c2)c4ccc(O)cc4)C(O)C(O)C1O;NARINGENIN-7-O-BETA-D-GLUCOSIDE
[O-][N+](=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-];246-TRINITROBENZENE
Cc1ncc(C[n+]2csc(CCOP(=O)(O)O)c2C)c(N)n1;THIAMINE-P
NCCSCC(N)C(=O)O;S-2-AMINOETHYL-L-CYSTEINE
O=CC=Cc1ccccc1;CINNAMALDEHYDE
CSCCCN;CPD-631
c1ccc2c(c1)ccc3ccccc23;PHENANTHRENE-RING
CC(C)(COP(=O)(O)O)C(O)C(=O)NCCC(=O)NCCS;PANTETHEINE-P
OC(=O)CC(=CC=C(O)C(=O)O)C=O;CPD-783
OC(=O)C#CC(=O)O;CPD-1831
CC(=CCCC(=CCCC(=CCCC(=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;CPD-7408
ON=C(O)c1ccccc1O;CPD-6543
CC(=C)C1CCC2(C)OC2C1;CPD-8221
CC(=O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;PREGNENOLONE
OCC1OC(Oc2ccccc2C=CC(=O)O)C(O)C(O)C1O;CPD-7417
NC(=O)C(O)c1ccccc1;R-MANDELAMIDE
CC(=CCNc1ncnc2[nH]cnc12)C;N6-DIMETHYLALLYLADENINE
Oc1cc(O)c2C(=O)c3cccc(O)c3Oc2c1;CPD-6882
Oc1ccc2Oc3cc(O)cc(O)c3C(=O)c2c1;CPD-6883
Oc1cc(O)c(C(=O)c2ccccc2)c(O)c1;CPD-6881
Oc1cc(O)c2C(=O)c3ccc(O)c(O)c3Oc2c1;CPD-6886
OCCCCCCCCCCCCCCCC(=O)O;16-HYDROXYPALMITATE
Oc1cc(O)c2C(=O)c3cc(O)c(O)cc3Oc2c1;CPD-6884
Oc1cc(O)c2C(=O)c3c(O)ccc(O)c3Oc2c1;CPD-6885
OC1CC(O)(CC(O)C1O)C(=O)O;QUINATE
NCCO;ETHANOL-AMINE
OC(COP(=O)(O)O)C(=O)C(O)(COP(=O)(O)O)C(=O)O;CARBOXY-ARABINITOL-PP
C[N+](C)(C)CC=O;BETAINE_ALDEHYDE
OCC=O;GLYCOLALDEHYDE
OCC1CC(NC2C=C(CO)C(O)C(O)C2O)C(O)C(O)C1OC3OC(CO)C(O)C(O)C3O;VALIDAMYCIN
NCCCCC(=O)C(=O)O;2-KETO-6-AMINO-CAPROATE
CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)CCCC2(C)C;CPD-7850
CC(OC1C(O)C(CO)OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C1NC(=O)C)C(=O)O;UDP-N-ACETYLMURAMATE
CC(=CCNC(=N)NCCCCN)C;N-PRENYLAGMATINE
Cc1ccc(cc1)C(=O)O;4-TOLUENECARBOXYLATE
NC(=C)C(=O)O;DEHYDROALANINE
OC(=O)Cc1ccccc1;PHENYLACETATE
NC(CSc1ccc(Br)cc1)C(=O)O;S-4-BROMOPHENYL-L-CYSTEINE
CC(=O)CN;AMINO-ACETONE
OC1CC(N=C1)C(=O)O;PYRROLINE-HYDROXY-CARBOXYLATE
OCC(O)COP(=O)(O)O;GLYCEROL-3P
OC(=O)C=CC=C(C(=O)O)C(=O)O;2-CARBOXYMUCONATE
OC(=O)C(=O)C(=O)O;OXOMALONATE
OC1C(OP(=O)(O)O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;CPD-506
NC(=O)C1OC(C(O)C1O)n2cnc3c(N)ncnc23;ADENOSINE-5-CARBOXAMIDE
NCCC=O;3-AMINO-PROPANAL
OCC(=O)C(O)C(O)COP(=O)(O)O;L-XYLULOSE-5-P
NC(=O)NC1NC(=O)NC1=O;S-ALLANTOIN
Cc1ccc(C)c(C)c1;PSEUDOCUMENE
Nc1ccccc1;ANILINE
NC(Cc1ccc(Cl)cc1)C(=O)O;P-CHLOROPHENYLALANINE
CCNC(=O)CCC(N)C(=O)O;THEANINE
NC(CC(=O)c1ccccc1N)C(=O)O;L-KYNURENINE
N#Cc1cccnc1;3-CYANOPYRIDINE
OC1CCCCC1=O;2-HYDROXYCYCLOHEXAN-1-ONE
OC1C(Oc2cc(O)c(O)c(O)c2C1=O)c3ccc(O)c(O)c3;CPD-4801
OCC1OC(O)CC(O)C1O;CPD-5861
C=CC#N;ACRYLONITRILE
CC=O;ACETALD
COc1cc(O)c2C(=O)CC(Oc2c1)c3ccccc3;CPD-7028
CC1OC(=NC1C(=O)NCCCN(CCCNC(=O)c2cccc(O)c2O)C(=O)C3N=C(OC3C)c4cccc(O)c4O)c5cccc(O)c5O;CPD-2002
OC(=O)CCC1NC(=O)NC1=O;HYDANTOIN_PROPIONATE
CN1CCC23C4C=CC(=O)C2Oc5c(O)ccc(CC14)c35;MORPHINONE
COC1C(O)C(O)C(O)C(=O)C1O;PENTAHYDROXYCYCLOHEXANONE
NC(Cc1ccc(O)cc1)C(=O)O;TYR
CCCCCCC1C(OC(=O)CC(C)C)C(C)OC(=O)C(NC(=O)c2cccc(NC=O)c2O)C(C)OC1=O;CPD-5744
CC(CCC(=O)NCC(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;GLYCOCHENODEOXYCHOLIC_ACID
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCO;CPD-7598
OC(=O)CCC(=O)c1ccccc1C(=O)O;O-SUCCINYLBENZOATE
NC(=O)NC1NC(=O)NC1=O;R--ALLANTOIN
[O-][N+](=O)c1ccc(Cl)c(c1)[N+](=O)[O-];1-CHLORO-24-DINITROBENZENE
CC(C)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CHOLESTEROL
COc1ccc(cc1)C2=COc3cc(OC4OC(COC(=O)CC(=O)O)C(O)C(O)C4O)cc(O)c3C2=O;BIOCHANIN-A-7-O-6-O-MALONYL-BETA-D-GLUC
CCC1=C(C)C2=NC1=CC3=C(C)C4=C(O)C(C(=O)OC)C(=C4N3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C)C5CCC(=O)O;CHLOROPHYLLIDE
CN(C)C(Cc1cnc[nH]1)C(=O)O;NALPHANALPHA-DIMETHYL-L-HISTIDINE
COc1cc(OC)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1CC=C(C)C;CPD-7122
CC(=CCCC(=CCc1c(O)cc(O)c(C(=O)C=Cc2ccc(O)cc2)c1O)C)C;CPD-7123
CC(=CCc1c(O)cc(O)c(C(=O)C=Cc2ccc(O)cc2)c1O)C;CPD-7120
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(O)c1CC=C(C)C;CPD-7121
COc1cc(O)c(C(=O)C=Cc2ccc(O)cc2)c(OC)c1;CPD-7126
COc1cc2OC(C)(C)C(O)Cc2c(O)c1C(=O)C=Cc3ccc(O)cc3;CPD-7127
CC(=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)C=Cc2ccc(O)cc2)c1O)C;CPD-7124
O=C(OCc1ccccc1)c2ccccc2;CPD-6443
OC12CC3CC(C1)C(=O)C(C3)C2;CPD-744
COc1cc2OC(C)(C)C=Cc2c(O)c1C(=O)C=Cc3ccc(O)cc3;CPD-7128
OC(=O)C=CC(=O)O;FUM
C1CNCCN1;PIPERAZINE
OC1=C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)c(O)c3;CPD-520
CC(=CC=CC=C(C)C=CC=C(C)C=CC12OC1(C)CC(O)CC2(C)C)C=CC=C(C)C=CC(=O)C3(C)CC(O)CC3(C)C;CPD-7410
COC(=O)CC(=O)C(=O)O;CPD-521
Oc1ccc(cc1)[N+](=O)[O-];P-NITROPHENOL
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC(N)C(=O)O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8341
OC(Cc1ccc(O)c(O)c1)C(=O)O;CPD-7022
COC1CC(OC2C(C)C(OC3OC(C)CC(C3O)N(C)C)C(C)CC4(CO4)C(=O)C(C)C(O)C(C)C(C)OC(=O)C2C)OC(C)C1O;OLEANDOMYCIN
CC(CO)CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-7287
OC(=O)CC(O)(CC(=O)C(=O)O)C(=O)O;4-OH-4-ACETYL-2-OXOGLUTARATE
NOC(Cc1ccccc1)C(=O)O;CPD-7021
OCC(O)C(O)C(O)C(O)C(=O)O;L-IDONATE
NC(=N)NCCC(O)C(N1CCC1=O)C(=O)O;AMIDINOPROCLAVAMINATE
CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC;CPD-7755
BrCCBr;12-DIBROMOETHANE
CCc1cccc(O)c1O;3-ETHYLCATECHOL
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7937
OCC1OC(=O)C(O)C(O)C1O;GLC-D-LACTONE
NC1C=CC(=CC1OC(=C)C(=O)O)C(=O)O;4-AMINO-4-DEOXYCHORISMATE
CC(CO)(OP(=O)(O)O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;2-PHOSPHO-4-CYTIDINE-5-DIPHOSPHO-2-C-MET
OCC(O)C(O)C(O)(COP(=O)(O)O)C(=O)O;2-CARBOXY-D-ARABINITOL-1-PHOSPHATASE
CC(=O)NC1C(O)OC(CO)C(O)C1OC2OC(=CC(O)C2O)C(=O)O;CPD-36
OC1C(O)C(OC(=O)C1O)C=O;CPD-526
CCCCCCCCCCCCCCCCCCCC=CCCCCCCCC;CPD-7931
OC(Cc1ccc(O)cc1)C(=O)O;3-4-HYDROXYPHENYLLACTATE
OCC1OC(OC2Oc3ccccc3N(O)C2=O)C(O)C(O)C1O;CPD-6563
OC(=O)C1=CCC=C(N1)C(=O)O;CPD-5062
CC(CCC(=O)NCCS(=O)(=O)O)C1CCC2C3C(O)C(O)C4CC(O)CCC4(C)C3CCC12C;CPD-7282
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC;CPD-7759
O=N=O;NITROGEN-OXIDE
CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)C)C)C)C;CPD-7952
OC(=O)CS;THIOGLYCOLATE
CC(=CCc1cc(ccc1O)C2=COc3cc(O)cc(O)c3C2=O)C;CPD-6722
CC(=CCc1c(O)cc(O)c2C(=O)C(=COc12)c3ccc(O)cc3)C;CPD-6721
OCC(=CC(=O)C(=O)O)COP(=O)(O)O;CPD-7636
OC(=O)C1(O)OCC(=C1)COP(=O)(O)O;CPD-7637
OCC(O)(COP(=O)(O)O)CC(O)(OP(=O)(O)O)C(=O)O;CPD-7634
CC(=CCCC(=CCCC(=CCCC(=CCOCC(COP(=O)(O)O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C)C)C)C;BIS-GERANYLGERANYLGLYCEROL-PHOSPHATE
OC1OC(COC(=O)c2cc(O)c(O)c(O)c2)C(O)C(O)C1O;CPD-8948
OC1Cc2c(O)cc(O)cc2OC1c3ccc(O)c(O)c3;CPD-7630
CC(N)Cc1ccc(O)c(O)c1;ALPHA-METHYLDOPAMINE
OCC1OC(CC1O)OP(=O)(O)O;DEOXY-RIBOSE-1P
OC1C(O)C(OC(=O)c2cc(O)c(O)c(O)c2)C(OC(=O)c3cc(O)c(O)c(O)c3)OC1COC(=O)c4cc(O)c(O)c(O)c4;CPD-8947
Oc1ccc(CCNC(=O)C=Cc2ccccc2)cc1;CPD-8941
CCCCCCCCCCCCCC(=O)O;CPD-7836
Oc1ccc(CCNC(=O)C=Cc2ccc(O)cc2)cc1;CPD-8943
COc1cc(C=CC(=O)NCCc2ccc(O)cc2)cc(OC)c1O;CPD-8942
CCCCCC(=O)C=CC1C(O)CC2OC(=CCCCC(=O)O)CC12;5Z13E-69-ALPHA-EPOXY-11-ALPHA-HYDROXPROS
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O;CPD-7837
CC(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)C(O)CC1(C)C)C)C)C)C;CPD-7951
NC(CSC(C=CC=CC=CCC=CCCCCCO)C(O)CCCC(=O)O)C(=O)O;20-HYDROXY-LEUKOTRIENE-E4
CCOC(=O)C(C)C(=O)C(=O)OCC;DIETHYL-2-METHYL-3-OXOSUCCINATE
CCCCCCCCCCCCCCCCC(=O)O;CPD-7830
NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1N=CNC3OC(COP(=O)(O)O)C(O)C3O;PHOSPHORIBOSYL-FORMIMINO-AICAR-P
OCC(O)C1OC(=O)C(O)C1O;GLUCONOGAMMALACTONE
CCCCCCCCCCCCCCCCCC(=O)NC(CO)C(O)C(O)CCCCCCCCCCCCCC;CPD-8446
COc1cc2CCN(C)C(Cc3ccc(Oc4cc(CC5N(C)CCc6cc(OC)c(O)cc56)ccc4O)cc3)c2cc1O;BERBAMUNINE
CN1CCCC1c2ccc(O)nc2;R-6-HYDROXYNICOTINE
NC(=O)c1ncn(C2OC(COP(=O)(O)O)C(O)C2O)c1NC=O;PHOSPHORIBOSYL-FORMAMIDO-CARBOXAMIDE
CC1(C)CCCC2(C)C3CC4C(C13)C24C;CPD-8751
CC(C)(O)CCc1c(O)ccc2C3COc4cc(O)ccc4C3Oc12;PHASEOLLIDIN-HYDRATE
CNCCCCN;CPD-394
NC1=NC2=C(N=C(CN2)C(O)C(O)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)N1;AMINO-HYDROXY-OHPROPYL_DIHYDROPTERIDIN
COc1cc2OCOc2c3CN(C)c4c(cc(O)c5cc6OCOc6cc45)c13;12-HYDROXYDIHYDROCHELIRUBINE
COc1ccc(C(=O)O)c(NC(=O)c2ccccc2)c1;N-BENZOYL-4-METHOXYANTHRANILATE
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)O;GENTAMICIN-C1A
OCC1OC(OCC2OC(OCC3OC(OC4C(O)C(O)C(O)C(O)C4O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8258
OC1C(O)C(O)C(O)C(O)C1O;MYO-INOSITOL
CCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7791
CC(C)C(=O)OP(=O)(O)O;ISOBUTANOATE-P
COc1cc2COC3Oc4c5CC(C)(Oc5ccc4C(=O)C3(C)c2cc1OC)C(=C)C;CPD-5741
OC(=O)C1CSC(=N1)c2nc3ccc(O)cc3s2;PHOTINUS-LUCIFERIN
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4(O)CC(O)CCC4(C)C3CCC12C;ERGOSTA-ETCETERA-BETA-DIOL
NC(Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O;L-THYROXINE
OCC1OC(C(O)C1O)n2cnc3C(O)CNC=Nc23;COFORMYCIN
OC(C(O)C(O)C(=O)O)C(O)C(=O)O;D-GLUCARATE
c1c[nH]cn1;IMIDAZOLE-RING
NCCCCCC(=O)O;CPD-884
COc1ccc(CC2=[N+](C)CCc3cc(OC)c(O)cc23)cc1O;CPD-7709
CCCCCC=CC=CC(O)CCCCCCCC(=O)O;CPD-8204
CC(C)(S)C(N)C(=O)O;CPD-7702
CC(N)CC(N)CC(=O)O;CPD-7703
OC1C(COC(=O)CC(=O)O)OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)c(O)c4)C(O)C1OC(=O)CC(=O)O;CPD-7700
NNC(=O)c1ccncc1;CPD-7701
CC(C(=O)C)C(=O)O;CPD-7707
COc1cc(CO)ccc1O;VANILLYL-ALCOHOL
CC1C2CCC3(C)C=CC(=O)C(=C3C2OC1=O)C;ALPHA-SANTONIN
CC(=O)c1ccc[n+](c1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;CPD-8831
CC(=CCOP(=O)(O)OP(=O)(O)O)C;CPD-4211
CC1=CC(O)C2CC1C2(C)C;CPD-8833
CC(=C)CCOP(=O)(O)OP(=O)(O)O;delta(3)-isopentenyl-pp
CC(=CC(O)CC(=C)C=C)C;CPD-8835
CC(=CC(O)CC(=C)C=C)C;CPD-8834
COC(=O)C1=CCC(CC1)C(C)CC(=O)CC(C)C;CPD-8837
CC(=CCNc1ncnc2nc[nH]c12)CO;CPD-4210
COC(=O)C=C(C)CCC=C(C)CCC1OC1(C)C;CPD-8838
NC(=C)C(=O)O;2-AMINOACRYLATE
NC(CC(=O)N)C(=O)O;ASN
CCC1C2CC3C4N(C)c5ccccc5C46CC(C2C6O)N3C1O;CPD-4242
CC=C1CN2C3Cc4c([nH]c5ccc(O)cc45)C2CC1C3CO;CPD-4243
CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2=O;ANDROST4ENE
CCC1C2CC3C4Nc5ccccc5C46CC(C2C6O)N3C1O;CPD-4241
OC(C=O)c1ccc(O)c(O)c1;DIHYDROXYPHENYLGLYCOLALDEHYDE
CC1=CC(=O)c2ccccc2C1=O;CPD-3766
OCC(O)c1oc(O)c(O)c1O;CPD-318
Cc1cc2NC3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)CO)c2cc1C;CPD-316
NCCCC(=O)C(=O)O;2-KETO-5-AMINOVALERATE
CCCCCC(=O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O;5Z13E-11-ALPHA-HYDROXY-915-DIOXOPROS-ENO
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC;1,2-dipalmitoylphosphatidylcholine
CC(=NCCC(=O)O)C(=O)O;CPD-311
CC(CCC=C(C)C)C1CCC2(C)C3CCC4C(C)(C)C(O)CCC45CC35CCC12C;CYCLOARTENOL
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C(O)C1O;UDP-L-RHAMNOSE
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O;ALLOLACTOSE
OC(=CC(=O)c1cccs1)C(F)(F)F;CPD-5743
OC1CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O1;DEOXYRIBOSE-TRIPHOSPHATE
O=C1CCCC(=O)N1;GLUTARIMIDE
NC(CCO)C(=O)O;HOMO-SER
OCC1(OP(=O)(O)O)C(O)OCC(O)C1O;D-HAMAMELOSE-2-PHOSPHATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO;CPD-7868
CC1CN(C2CC(O)C(CO)O2)C(=O)NC1=O;DIHYDROTHYMIDINE
OC1C=CC=C(C1C(=O)O)C(=O)CCC(=O)O;SUCCINYL-OH-CYCLOHEXADIENE-COOH
Nc1ncnc2nc[nH]c12;ADENINE-RING
CNC(CCc1nc(CC(N)C(=O)O)c[nH]1)C(=O)O;2-3-CARBOXY-3-METHYLAMMONIOPROPYL-L-
c1ccc2[nH]ccc2c1;INDOLE
CC1(C)OC2(C)CCC1C(O)C2;CPD-791
CC1(C)OC2(C)CCC1CC2=O;CPD-790
COc1cc(C=CC=O)ccc1O;CONIFERYL-ALDEHYDE
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C)cc(OCC(=O)O)c4c3C2=O;RIFAMYCIN-B
CNCCOP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=NC2=O)N;CDP-N-METHYLETHANOLAMIN
CC(=O)NC(CCCC(N)C(=O)O)C(=O)O;CPD-1771
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O;MELIBIOSE
Clc1ccc(CC#N)cc1;4-CHLOROPHENYLACETONITRILE
CSCC1OC(C(O)C1O)c2n[nH]c3c(N)ncnc23;5-METHYLTHIOFORMYCIN
CC(C)c1ccc(C)c2ccc(C)cc12;CPD-8806
COc1cc(C=CCO)ccc1OC2OC(CO)C(O)C(O)C2O;CPD-1777
Oc1ccc(CC2NCCc3cc(O)c(O)cc23)cc1;S-NORCOCLAURINE
CC1=C(C)N(CC(O)C(O)C(O)CO)C2=NC(=O)NC(=O)C2=N1;DIMETHYL-D-RIBITYL-LUMAZINE
CC1=C2CCC3(C)CCC(O)C(=C)C3CC(CC1)C2(C)C;TAXA-42011-DIEN-5A-OL
Cn1cncc1CC(NC(=O)CCN)C(=O)O;CPD-401
COc1ccccc1O;CPD-400
CC(NC(=O)CCC(N)C(=O)O)C(=O)O;CPD-407
CNCCOP(=O)(O)O;CPD-406
OC(=O)C=Cc1ccccc1O;CPD-7418
CC(=CCCC(=CCCC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C)C)C)C)C;CPD-7419
CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CC(O)CC1(C)C)C)C=CC=C(C)C=CC2C(=CC(O)CC2(C)C)C;CPD-7416
OC1C(O)C(OC1COP(=O)(O)O)N2C=Nc3c(ncn3C4OC(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)C(O)C4O)C2=N;PHOSPHORIBOSYL-ATP
CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CCCC1(C)C)C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C;CPD-7414
CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CC(O)CC1(C)C)C)C=CC=C(C)C=CC2C(=CCCC2(C)C)C;CPD-7415
CC(=O)C1=C(O)C=CC(C)(C1=O)c2c(O)c(C)c(O)c(C(=O)C)c2O;CPD-7412
CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC1C(=CC(O)CC1(C)C)C)C)C)C)C;CPD-7413
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)OP(=O)(O)O)n2cnc3C(=O)NC=Nc23;ITP
CC(=O)C1=C(O)C=C2Oc3c(C(=O)C)c(O)c(C)c(O)c3C2(C)C1=O;CPD-7411
CC(N)(CO)C(=O)O;CPD-390
COC1C=COC2(C)Oc3c(C)c(O)c4C(=O)C(=CC5(OCC(=O)O5)c4c3C2=O)NC(=O)C(=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(=O)C)C1C)C;RIFAMYCIN-O
NC(CCONC(=N)NC(CC(=O)O)C(=O)O)C(=O)O;CANAVANINOSUCCINATE
CC(=O)NC1C(O)CC(OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=NC3=O)N)(OC1C(O)C(O)CO)C(=O)O;CMP-N-ACETYL-NEURAMINATE
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(OO)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8168
CCCCCC=CCC=CCCCCCCCC(=O)OC(COC1OC(CO)C(OO)C(O)C1O)COC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8167
OCC1OC(C(O)C1O)n2cnc3C(=O)NC(=O)Nc23;XANTHOSINE
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COC1OC(CO)C(OO)C(O)C1O)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8165
CC(=O)NC1C(O)OC(CO)C(O)C1O;CPD-3604
OCC1OC(OC2C(O)C(CO)OC(OC3C(O)C(O)OC(CO)C3O)C2O)C(O)C(O)C1O;CPD-3602
CC1(C)C2CC3OC3(C)C1C2;ALPHA-PINENE-OXIDE
CC1(C(O)C(=O)C=C2C3CCC4(O)CC3(CC4=C)C(C12)C(=O)O)C(=O)O;CPD-229
C1OC1c2ccccc2;CPD-228
NC(C(O)C(O)C(O)CO)C(=O)O;GLUCOSAMINATE
COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O;BIOCHANIN-A
CCCCCCCCCCCCCCCCCCCCCCCC(=O)O;TETRACOSANOATE
OC1C(O)C(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)OC(C1O)C(=O)O;CPD-223
CNc1ccccc1;N-METHYLANILINE
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O;CPD-221
NC(CCCNC(=N)N)C(=O)O;CPD-220
OC1COC(O)C(O)C1O;CPD-227
CCCCCCC1OC(=O)CNC(=O)C(NC(=O)CC(CO)NC(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)C1C)C(C)CC)C(C)O;GLOBOMYCIN
OC(=O)CC(=CC(=O)O)C(=O)O;CPD-225
CC1=CC=CC(O)C1O;TOLUENECISDHDIOL
COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O;CAPSAICIN
Oc1cccc2nc3ccccc3nc12;PYOCYANINE-RED
CC(C)C(=C)CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;572428-ERGOSTATRIENOL
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)(C)C4CC3;44-DIMETHYL-824-CHOLESTADIENOL
OC(=O)C(=O)CC=C;OXOPENTENOATE
OC(COP(=O)(O)O)C(O)C(=O)O;ERYTHRONATE-4P
CC(C)C1CCC(=C)C=C1;CPD-8768
CCCCC(CC)CO;2-ETHYLHEXAN-1-OL
CC12CCC3C(CC=C4CC(CCC34C)OS(=O)(=O)O)C1CCC2=O;DEHYDRO-EPIANDROSTERONE-SULFATE
CC1(C)CCCC2(C)C3CCC2(C)C(O)C13;CPD-8761
CC(=O)C=C;CPD-8760
CC(C)C1CCC2(C)C3CC4C(C13)C24C;CPD-8763
CC1=CCC2C3C1C2(C)CCCC3(C)C;CPD-8762
CC1=CCC2C(C1)C2(C)C;CPD-8765
CC(=CCCC(=CCC=C(C)C=C)C)C;CPD-8764
CC1(C)C2CCC(C2)C1=C;CPD-8767
Sc1nc2ccccc2s1;CPD-8766
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8383
CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C;FARNESYL-PP
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CC(O)C12C;DEOXYCHOLATE
CCCCCC=CCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8387
C[N+](C)(C)CCCC(=O)O;GAMMA-BUTYROBETAINE
CC1(CCCC2(C)C3CCC4CC3(CCC12)CC4=C)C=O;ENT-KAUR-16-EN-19-AL
OC1C(O)C(NC(=O)CNC=O)OC1COP(=O)(O)O;5-P-RIBOSYL-N-FORMYLGLYCINEAMIDE
CCC=CCC=CCC=CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8389
Nc1ccc(cc1)[N+](=O)[O-];4-NITROANILINE
NC(CC1=CC(=O)C(=O)C=C1)C(=O)O;DOPAQUINONE
OCC(O)C(=O)O;GLYCERATE
CC(CCCC(C)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;CPD-1836
CC1=CN(C2CC3OP(=O)(O)OCC3O2)C(=O)NC1=O;CPD-3733
CC1=CN(C2CC(OP(=O)(O)O)C(CO)O2)C(=O)NC1=O;CPD-3732
OP(=O)(O)CP(=O)(O)O;CPD-3731
CNC(Cc1c[nH]c2ccccc12)C(=O)O;N-METHYLTRYPTOPHAN
CC(=O)NC1C(OCC(N)C(=O)O)OC(CO)C(O)C1OC2OC(CO)C(O)C(O)C2O;CPD-8545
NC(CSCC(N)C(=O)O)C(=O)O;CPD-3736
OP(=S)(O)S;CPD-3735
OP(=S)(O)O;CPD-3734
OCC1OC(=O)C(O)C(O)C1O;CPD-8549
OCC(O)C(O)C=O;CPD-8548
NC(CCS(=O)(=O)O)C(=O)O;CPD-3739
CSCCC(NC(=O)O)C(=O)O;CPD-3738
OC1=NCNc2nc(O)[nH]c12;CPD-9016
Oc1nc2ncncc2[nH]1;CPD-9017
OCC(OP(=O)(O)O)C(=O)O;2-PG
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C;ALL-TRANS-PENTAPRENYL-DIPHOSPHATE
CC(O)C(=O)SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O;S-LACTOYL-GLUTATHIONE
OC(C#N)c1ccc(O)cc1;CPD-648
CC(=O)OC1C(=O)C2(C)C(O)CC3OCC3(OC(=O)C)C2C(OC(=O)c4ccccc4)C5(O)CC(O)C(=C1C5(C)C)C;BACCATIN-III
NC(=O)NC(CC(=O)O)C(=O)O;CARBAMYUL-L-ASPARTATE
NC(Cc1c[nH]c2ccc(O)cc12)C(=O)O;5-HYDROXY-TRYPTOPHAN
CC(=CCCC(=CC(=O)O)C)C;CPD-7618
NC1=Nc2c(ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C(O)C4O)C(O)C3O)C(=O)N1;GDP-MANNOSE
NC1=C(Cl)C(=O)N(N=C1)C(=O)C(=CC=CC(=O)O)O;5-AMINO-4-CHLORO-2-2-HYDROXYMUCONOYL-3
CCCCCC=CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)NCCCN(O)C(=O)C)C(=O)O;CPD-1021
CC(O)C(O)C1=NC2=C(NC1)N=C(N)NC2=O;BIOPTERIN
CCCCCCCCCCCCCCCCCCCC=CCCCCCCC(=O)C;CPD-8499
CCCCCCCCCCCCCCCCCC=CCCCCCCC(=O)C;CPD-8498
CCCCCCCCCCCCCCCCCCCCCC=CCCCCCCC(=O)C;CPD-8497
CC(=O)NC1C(O)OC(COS(=O)(=O)O)C(O)C1OC2OC(=CC(O)C2O)C(=O)O;4-DEOXY-BETA-D-GLUC-4-ENURONOSYL-SULFATE
CCCCCCCCCCCCCCCCCCCCCCCCC=CCCCC(=O)C;CPD-8495
CCCCCCCCCCCCCCCCCCCCC=CCC(=O)C;CPD-8494
COC1=C(OC)C(O)C(=C(C)C1O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;UBIQUINOL-8
CCCCCCCCCCCCCCCCCCCCCCC=CCC(=O)C;CPD-8492
CCCCCCCCC=O;CPD-8491
CCCCCCCCCC=O;CPD-8490
COc1cc2CCN(C)C(Cc3ccc(O)cc3)c2cc1O;R-N-METHYLCOCLAURINE
CC1CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC34C)C2C1C;CPD-8250
CCCCC(=O)C(=O)O;2-OXOHEXANOATE
NC(COP(=O)(O)OCCNC(=N)N)C(=O)O;LOMBRICINE
OC(=O)Cc1ccc(O)cc1;4-HYDROXYPHENYLACETATE
NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)O)O3)C(=O)N1;DGMP
CCC=CCC1C(CC(=O)O)CCC1=O;CPD-731
CC(=O)N(O)CCCNC(=O)CC(O)(CC(=O)O)C(=O)O;CPD-1024
OCC1OCC(O)C1O;NUKED-PENTOSE-RING
c1ccncc1;PYRIDINE
OC1CCCCC1O;TRANS-CYCLOHEXANE-12-DIOL
NC(CCC(=O)N)C(=O)O;GLUTAMIDE
NC(=N)NCCS(=O)(=O)O;TAUROCYAMINE
OC(=O)c1c(O)cccc1O;CPD-8816
Cc1cc(O)cc(O)c1C(=O)Oc2cc(C)c(C(=O)O)c(O)c2;ORSELDEP-CPD
COc1ccc(cc1O)C2=COc3cc(O)ccc3C2=O;CALYCOSIN
C=O;FORMALDEHYDE
CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(=O)O)c1;CPD-8725
OC1C(COC(=O)CC(=O)O)OC(Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)C(O)C1O;CPD-3425
OCC1OC(Oc2ccc3C(=O)C(=COc3c2)c4ccc(O)cc4)C(O)C(O)C1O;CPD-3424
OC(=O)CC(=O)O;CPD-3423
OC1C(COC(=O)CC(=O)O)OC(Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)C(O)C1O;CPD-3422
OCC1OC(Oc2cc(O)c3C(=O)C(=COc3c2)c4ccc(O)cc4)C(O)C(O)C1O;CPD-3421
CC12CCC3C(CCc4cc(O)ccc34)C1CCC2O;CPD-352
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC;CPD-7813
CCC=CCC1C(CCCCCCCC(=O)O)CCC1=O;CPD-730
CC(C)(COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1OP(=O)(O)O)n2cnc3c(N)ncnc23)C(O)C(=O)NCCC(=O)NCCS;COA-GROUP
CC(O)(CC=O)CC(=O)O;MEVALDATE
CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCCCC;CPD-7798
CCOCC;DIETHYLETHER
CC(C)c1ccc2c(CCC3C(C)(C)CCCC23C)c1;CPD-8721
NNc1ccccc1;PHENYLHYDRAZINE
OC(=O)C=CC=C(O)C(=O)O;CPD-8720
CS(=O)CCCC(=NOS(=O)(=O)O)SC1OC(O)C(O)C(O)C1CO;3-METHYLSULFINYLPROPYL-GLUCOSINOLATE
OC1OC(COS(=O)(=O)O)C(O)C(O)C1O;CPD-544
OC1C(O)C(OC1COP(=O)(O)O)N2C(=O)NC(=O)C=C2C(=O)O;OROTIDINE-5-PHOSPHATE
CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C(O)O)c1;CPD-8723
Oc1cc(Cl)ccc1Cl;25-DICHLOROPHENOL
Oc1cccc(O)c1;CPD-623
OC(=O)CC(Cl)C(=O)O;CPD-8933
CC(=O)NC1[CH]OC(CO)C(O)C1O;14-N-ACETYL-BETA-D-GLUCOSAMINYLN1
OCC1OC(Oc2cc3c(OC4OC(COC(=O)C=Cc5ccc(O)cc5)C(O)C(O)C4O)cc(O)cc3[o+]c2c6ccc(O)cc6)C(O)C(O)C1O;CPD-7151
COc1ccc2N(O)C(=O)C(OC3OC(CO)C(O)C(O)C3O)Oc2c1;24-ETC-14-BENZOXAZIN-GLUCOSIDE
OCC1OC(Oc2cc(O)cc3[o+]c(c(O)cc23)c4ccc(O)c(O)c4)C(O)C(O)C1O;CPD-7386
OC1CCNC1;CPD-7387
OC1C(COC(=O)C=Cc2ccc(O)cc2)OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)cc5)C(O)C1O;CPD-7384
CC(C)C(=C)CCC(C)C1CCC2(C)C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;OBTUSIFOLIOL
OC(=O)CCCCC=O;CPD-7382
OC1OC(COP(=O)(O)O)C(O)C(O)C1O;GLC-6-P
CCOC(=O)C(C)C(O)C(=O)OCC;DIETHYL-2R3R-2-METHYL-3-HYDROXYSUCCIN
CC(=O)C1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C;CPD-293
OCCS;2-MERCAPTOETHANOL
Oc1ccc(O)c(O)n1;CPD-2301
CSCCCC(=NO)SC1OC(O)C(O)C(O)C1CO;3-METHYLTHIOPROPYL-DESULFO-GLUCOSINOLATE
OC1c2ccccc2c3ccccc13;9FLUORENOL
Oc1ccc2[nH]cc(C3=CC(=C4C(=O)Nc5ccccc45)C(=O)N3)c2c1;VIOLACEIN
CC1=C2CC(=O)OC(c3cocc3)C2(C)CCC1C45COC(=O)CC4OC(C)(C)C5CC(=O)O;DEOXYLIMONATE
NCCCC(=O)C(=O)O;5-AMINO-2-OXOPENTANOATE
CNC1C(O)C(O)C(CO)OC1OC2C(OC3C(O)C(O)C(NC(=N)N)C(O)C3NC(=N)N)OC(C)C2(O)C=O;STREPTOMYCIN
Oc1nc(O)c2nc(O)c(O)nc2n1;TETRAHYDROXYPTERIDINE
CCCCCCCCCCCCC;CPD-7949
COC(=O)C;METHYL-ACETATE
CCCC=CCO;TRANS-2-HEXENOL
CCCCCC(=O)C=CC=CCC=CCC=CCCCC(=O)O;15-OXO-5811-CIS-13-TRANS-ICOSATETRAENO
COc1cc(ccc1O)C(=O)O;VANILLATE
CN1C(CNc2ccc(cc2)C(=O)NC(CCC(=O)O)C(=O)O)CNC3=C1C(=O)[NH+]=C(N)N3;5-METHYL-THF
Cc1c(CCC(=O)O)c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc1[nH]2)c(C)c5CCC(=O)O)c(CCC(=O)O)c4C)c(CCC(=O)O)c3C;COPROPORPHYRINOGEN_III
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=C(C)C(=O)NC3=O)C(O)C(O)C1NC(=O)C;TDP-FUC4NAC
CC1(CCC2C(=CC3OC(=O)C4(C)C3C2(C)CCC4=O)C1)C=C;CPD-7092
CC(C(=O)C(=O)O)c1c[nH]c2ccccc12;CPD-398
OC(=O)C(=O)CS;3-MERCAPTO-PYRUVATE
CSCCCC(=O)C(=O)O;2-OXO-5-METHYLTHIOPENTANOIC-ACID
OC(=O)CC(=O)C=CC(=O)O;CPD-294
OC(=O)C=O;GLYOX
CC(N)C(=O)O;L-ALPHA-ALANINE
OCC1OC(OCC2OC(OC3C(O)C(O)C(O)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O;CPD-8254
CC(CCCC(C)C(=O)O)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CCC12C;CPD-1834
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C)C)C)C;ALL-TRANS-HEXAPRENYL-DIPHOSPHATE
CCCCCCCCCCCCCC=CC(O)C(N)COC1OC(CO)C(O)C(O)C1O;PSYCHOSINE
OC(C(=O)O)C(=O)CCC(=O)O;CPD-621
CC(=C1SC(=C(C)N1Cc2cnc(C)nc2N)CCOP(=O)(O)OP(=O)(O)O)O;2-(alpha-hydroxyethyl)-thpp
OCC1OC(=O)C=C1;L-ERYTHRO-ASCORBATE
CC(=O)NC(CCCN)C(=O)O;N-ALPHA-ACETYLORNITHINE
CCCCCC=CCC=C(CCCCCCCC(=O)O)OO;CPD-1832
CCCCCCCCCCCCCCCC(O)C(N)CO;DIHYDRO-SPHINGOSINE
COc1c(CC=C(C)C)c(O)c(CC=C(C)C)c(O)c1C(=O)C=Cc2ccc(O)cc2;CPD-7125
COC(=O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C(C)C(O)CC13;LOGANIN
CC(O)C(N)C(=O)O;ALLO-THR
CC(C)C(C)C=CC(C)C1CCC2C3=CCC4(O)CC(O)CCC4(C)C3CCC12C;CPD-1833
Cl;HCL
CC(=O)OC1OC(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O;ACETYLMALTOSE
OC(=O)C1CC(=O)NC(=O)N1;DI-H-OROTATE
ON(CCCP(=O)(O)O)C=O;CPD0-441
CC=C1CN2C3Cc4c([nH]c5ccccc45)C2CC1C3C=O;VELLOSIMINE
CC(C)CCCC(C)CCCC(C)CCCC(=CCO)C;PHYTOL
OP(=O)(O)O;Pi
Cc1ccc(C(=O)O)c(N)c1O;CPD-403
CCCCCCCCCCCCCCCCCCC;CPD-7942
CCCSCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;5-N-PROPYLTHIOADENOSINE
CC(=O)NC(CSCC1=C(C)C(=O)N2N1C(=C(C)C2=O)C)C(=O)NC3C(O)C(O)C(CO)OC3OC4C(O)C(O)C(O)C(O)C4O;CPD1G-130
NC1COC(O)C(O)C1O;4-AMINO-4-DEOXY-L-ARABINOSE
CC(C)C12CC1C(=C)C(=O)C2;-SABINONE
CCC(O)(CC(=O)O)C(=O)O;CPD-620
CCC(=O)OC(=O)CC;PROPIONIC-ANHYDRIDE
COc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2;CPD-7252
Cc1c(CCC(=O)O)c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc1[nH]2)c(C)c5C=C)c(C)c4C=C)c(C)c3CCC(=O)O;PROTOPORPHYRINOGEN
CC12CCC3C(CCC4CCCCC34C)C1CCC2CCO;PREGNAN-21-OL
CC(C)CCCC(C)C1CCC2C3C(O)CC4=CC(=O)CCC4(C)C3CC(O)C12C;CPD-7237
OCC(NC(=O)c1cccc(O)c1O)C(=O)O;23-DIHYDROXYBENZOYLSERINE-MULTIMERS
CC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;16-17-DIDEHYDROPROGESTERONE
CC(=CC(=O)O)C=CC1(O)C(=CC(=O)CC1(C)CO)C;CPD-7234
CCC=CCC=CCC=CCC=CCC=CCCCC(=O)O;5Z8Z11Z14Z17Z-EICOSAPENTAENOATE
COC1C(O)C(O)OC(CO)C1O;CPD-3610
CC(CCC(=O)O)C1CCC2C3CCC4CC(O)CCC4(C)C3CCC12C;CPD-7235
NC(Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O;LIOTHYRONINE
OC1C(O)C(O)C(O)C(O)C1O;CPD-8055
OCC1(O)OC(C(O)C1O)C(=O)O;FRUCTURONATE
CC(C)CC(N)C(=O)O;LEU
OC(=O)C1=NCCC1;1-PYROLINE-2-CARBOXYLATE
COC1C(O)C(O)C(O)C(O)C1O;1-METHYL-MYO-INOSITOL
OC(=O)CC1(Cl)OC(=O)C=C1;2-CL-5-OXO-2-5-DIH-FURAN-2-ACETATE
OC1C=CC2=C(C1O)c3ccccc3C2=O;3-4DH3-4DH9FLUORENONE
CCCCCC=O;HEXANAL
CC(=CCc1c(O)cc2OC(CC(=O)c2c1O)c3ccc(O)cc3)C;CPD-7135
COc1cc(O)c(CC=C(C)C)c2OC(CC(=O)c12)c3ccc(O)cc3;CPD-7134
OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2c5ccc(O)cc5)C(O)C(O)C1O;CPD-7137
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)CCc2ccc(O)cc2;CPD-7131
CC(=CCc1c(O)c2C=CC(C)(C)Oc2c(C(=O)C=Cc3ccc(O)cc3)c1O)C;CPD-7130
CC(=CCc1c(O)cc(O)c2C(=O)CC(Oc12)c3ccc(O)cc3)C;CPD-7133
COc1cc2OC(C)(C)CC(O)c2c(O)c1C(=O)C=Cc3ccc(O)cc3;CPD-7132
OS(=O)(=O)Oc1ccc(CC2=NC3=C(Cc4ccccc4)NC(=CN3C2=O)c5ccc(OS(=O)(=O)O)cc5)cc1;LUCIFERIN
CC(O)c1ccccc1;R-1-PHENYLETHANOL
OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2c5cc(O)c(O)c(O)c5)C(O)C(O)C1O;CPD-7139
OCC1OC(Oc2cc3c(OC4OC(CO)C(O)C(O)C4O)cc(O)cc3[o+]c2c5ccc(O)c(O)c5)C(O)C(O)C1O;CPD-7138
OCC(O)C(O)CC(=O)C(=O)O;2-DEHYDRO-3-DEOXY-D-GALACTONATE
OC(=O)CCC(C(CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCc1ccc(OCc2coc(CNC=O)c2)cc1)C(=O)O)C(=O)O)C(=O)O)C(=O)O;FORMYL-METHANOFURAN
S;HS
CC(CCC=C(C)C)C1CCC2C3=CCC4CC(O)CCC4(C)C3CCC12C;5-ALPHA-CHOLESTA-724-DIEN-3-BETA-OL
OCC(O)C(O)C(=O)CC(=O)O;DE-O-K-GLUCONATE
CCCCCC=CCC=CCC=CCCCCC(=O)O;CPD-8117
CSCC1OC(C(O)C1O)n2ccc3c(N)ncnc23;5-METHYLTHIOTUBERCIDIN
OCC1OC(C(O)C1O)n2cnc3C(=O)NC=Nc23;INOSINE
c1ccncc1;PYRIDINE-RING
OC(=O)C=CC(=O)CC(=O)C(=O)O;CPD-277
OC(=O)CCC(O)(CC(=O)O)C(=O)O;HOMO-CIT
NC(CCCC(=O)O)C(=O)O;L-2-AMINOHEXANEDIOATE
OC([CH]c1ccccc1)C(=O)O;CPD-5921
CSCC(=O)O;S-METHYLTHIOGLYCOLATE
OCC(O)C1OC(=C(O)C1=O)O;ASCORBATE
Cc1cccc(CO)c1;3-METHYLBENZYL-ALCOHOL
OC(=O)c1cc(O)c2ccccc2n1;KYNURENATE
CN1Cc2c3OCOc3ccc2c4ccc5cc6OCOc6cc5c14;DIHYDROSANGUINARINE
OCC1OC(O)C(O)C(O)C1OC(=O)Cc2c[nH]c3ccccc23;INDOLE-3-ACETYL-BETA-4-D-GLUCOSE
CC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C;CPD-272
Nc1ncnc2[nH]cnc12;ADENINE
CC(=CC=CC=C(C)C=CC=C(C)C=C(C)C(=O)C1(C)CC(O)CC1(C)C)C=CC=C(C)C=CC(=O)C2(C)CC(O)CC2(C)C;CAPSORUBIN
OC(=O)CC(=O)O;MALONATE
CC(C)C1=CCC2C(=C1)CCC3C(C)(CCCC23C)C=O;CPD-8707
NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2O;CYTIDINE
OC(CC(C(CCC(=O)O)C(=O)O)C(=O)O)C(=O)NC(CCC(=O)NC(CCC(=O)NCCc1ccc(OCc2coc(C[N+])c2)cc1)C(=O)O)C(=O)O;CPD-7629
OC(=O)C([N+])CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCc1ccc(OCc2coc(C[N+])c2)cc1)C(=O)O)C(=O)O)C(=O)O;CPD-7628
CC1=C(C=C)C(=Cc2[nH]c(Cc3[nH]c(C=C4NC(=O)C(=C4C)C=C)c(C)c3CCC(=O)OC5OC(C(O)C(O)C5O)C(=O)O)c(CCC(=O)O)c2C)NC1=O;BILIRUBIN-GLUCURONOSIDE
OC1C=CC=C(CCC(=O)O)C1O;CARBOXYETHYL-3-5-CYCLOHEXADIENE-1-2-DIOL
CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8294
C[SH2+];CPD-7621
CCCCCCC=O;CPD-7620
CC(N)C(=O)NC(CCC(=O)NC(CCCC(N)C(=O)O)C(=O)O)C(=O)O;L-ALA-D-GLU-MESOA2PM
CCC=CCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8297
Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(cn3c2OS(=O)(=O)O)c5ccc(O)cc5)cc1;LUCIFERYL-SULFATE
NO;HYDROXYLAMINE
CC(C)N;ISOPROPYLAMINE
OC1C(Oc2cc(O)cc(O)c2C1=O)c3ccc(O)cc3;DIHYDROKAEMPFEROL-CMPD
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC;CPD-7940
CC(=O)NC1C(O)CC(O)(OC1C(OC(=O)C)C(O)CO)C(=O)O;CPD-1803
OCC(O)(CO)C(O)C=O;APIOSE
Nc1ncnc2c1ncn2C3CC(O)C(COP(=O)(O)O)O3;DAMP
OC1OC(C(O)C(O)C1O)C(=O)O;PECTATE
OCC1OC(OC2C(O)OC(O)C(O)C2O)C(O)C(O)C1O;BETA-D-GAL-1-4-D-GLC
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCOC(=O)c1ccc(O)cc1)C)C)C)C)C)C)C)C)C;NONAPRENYL-4-HYDROXYBENZOATE
CCO;ETOH
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8290
CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(C)(C)CC(O)CC1(C)O)C=CC=C(C)C=CC23OC2(C)CC(O)CC3(C)C;CPD-7424
CSCCC(=O)C(=COP(=O)(O)O)O;2-HYDROXY-3-KETO-5-METHYLTHIO-1-PHOSPHOP
CCCCCCCCCCCCCCCCCCCCCCC=CCCC;CPD-7908
OC(=O)c1ccccc1c2cccc(O)c2O;3-2-CARBOXYPHENYLCATECHOL
CCC12C=CCN3CCC4(C13)C(N(C)c5cc(O)ccc45)C(O)(C2O)C(=O)OC;11-O-DEMETHYL-17-O-DEACETYLVINDOLINE
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(CO)C(O)C4O)C(O)C3O;ADENOSINE_DIPHOSPHATE_RIBOSE
OC(C(CCC(=O)O)C(=O)O)C(=O)O;HOMO-I-CIT
CC(=CCNc1ncnc2[nH]cnc12)COC3OCC(O)C(O)C3O;CPD-174
CC1=CC(=CC(=O)O1)O;TRIACETATE-LACTONE
NCC(O)CCC(N)C(=O)O;L-ERYTHRO-5-HYDROXY-LYSINE
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;UBIQUINONE-8
CC(C)CC=CC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C;VITAMIN_D_{3}
CCOP(=O)(O)OCC;DIETHYLPHOSPHATE
CCCCCC(O)C=CC1C(O)CC(=O)C1CC=CCCCC(=O)O;5Z13E-15S-1115-DIHYDROXY-9-OXOPROS
NCC(CCC(N)C(=O)O)OP(=O)(O)O;5-PHOSPHONOOXY-L-LYSINE
OC(=O)C1=CCCN1;delta(1)-pyrroline_2-carboxylate
CCCCCCCCCCCCCCCCCCCCCC(=O)O;DOCOSANOATE
[C-3]S;THIOL-GROUP
CC(O)c1ccccc1;S-1-PHENYLETHANOL
NC(COP(=O)(O)O)C(=O)O;3-P-SERINE
OC1C(COC(=O)c2cc(O)c(O)c(O)c2)OC(OC(=O)c3cc(O)c(O)c(O)c3)C(OC(=O)c4cc(O)c(O)c(O)c4)C1OC(=O)c5cc(O)c(O)c(O)c5;1236-TETRAKIS-O-GALLOYL-BETA-D-GLUCOS
CC=CC(=O)O;CPD-8868
OC(=O)CC(=O)CC(=O)C=CC(=O)O;4-FUMARYL-ACETOACETATE
CC1CCC2(OC1)OC3CC4C5CCC6CC(O)CCC6(C)C5CCC4(C)C3C2C;CPD-1946
CC1CCC2(OC1)OC3CC4C5CCC6CC(CCC6(C)C5CCC4(C)C3C2C)OC7OC(CO)C(O)C(O)C7O;CPD-1947
OC1CCC(CC1O)C(=O)O;CPD-1944
OC1CCC(CC1=O)C(=O)O;CPD-1945
OC(C(CC(=O)O)C(=O)O)C(=O)O;CPD-1942
OC1C=C(C=CC1(O)C(=O)O)C(=O)O;CPD-1943
OC(C(CC(=O)O)C(=O)O)C(=O)O;CPD-1941
CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN;CPD-8951
OC(=O)C1NC2=CC(=O)C(=O)CC2=C1;L-DOPACHROME
OC(=O)CCC(NC(=O)Cc1c[nH]c2ccccc12)C(=O)O;INDOLE-3-ACETYL-GLU
COC1=CC=C2C3Cc4ccc(OC)c5OC1C2(CCN3C)c45;CPD-7710
COC1=CC=C2C3Cc4ccc(O)c5OC1C2(CCN3C)c45;CPD-7713
COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)CC=C35;CPD-7712
CC(=CCCC(=CC=C)C)C;CPD-8844
CC(=CCCC(=CCO)C)C;GERANIOL
CC(=CCCC(=CCCC(=CC=C)C)C)C;CPD-8846
CC(=O)C=C;CPD-8847
CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C(C)(C)CCCC12C;CPD-8840
NC(CCC(=O)NC(CSc1ccc(cc1[N+](=O)O)[N+](=O)O)C(=O)NCC(=O)O)C(=O)O;S-24-DINITROPHENYLGLUTATHIONE
NC(CN1C=CC(=O)C(=C1)O)C(=O)O;AMINO-ETCETERA-PYRIDIN-1-YL-PROPANOATE
CC(=CCCC(=CCCC(C)(O)C=C)C)C;CPD-8843
NC(=O)CC(=O)C(=O)O;L-KETO-SUCCINAMATE
CCCCCC(=O)NC;N-METHYLHEXANAMIDE
CC(=CCCC(=CCCC(=CCCC(C)(O)C=C)C)C)C;CPD-8848
CC(=CCCC1(C)C2CC=C(C)C1C2)C;CPD-8849
COn1cc(CC(=NOS(=O)(=O)O)SC2OC(O)C(O)C(O)C2CO)c3ccccc13;1-METHOXY-3-INDOLYLMETHYL-GLUCOSINOLATE
CCCCCCCCCCCCCCCCCC(=O)O;STEARIC_ACID
NC(=N)NCCCC(NC(CCC(=O)O)C(=O)O)C(=O)O;CPD-308
CC(NC(CCCNC(=N)N)C(=O)O)C(=O)O;CPD-309
CNCCCCC(N)C(=O)O;CPD-304
CC(NCCS(=O)(=O)O)C(=O)O;CPD-305
CC(NC(CCCCN)C(=O)O)C(=O)O;CPD-306
NC(CCCNCCC(=O)O)C(=O)O;CPD-307
OC(=O)CC(=O)C(=O)O;OXALACETIC_ACID
OC(=O)CCCCC(O)(CC(=O)O)C(=O)O;CPD-301
NC(CC(=O)O)C(=O)O;CPD-302
NC1CCCCC1;CPD-303
CC1OC(OCC2OC(Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)C(O)C(O)C2O)C(O)C(O)C1O;CYANIDIN-3-O-RHAMNOSYLGLUCOSIDE
CC(=O)NC(CC(=O)N)C(=O)O;CPD-8980
CNC1CC2OC(C)(C1OC)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35;STAUROSPORINE
CN1C2CCC1CC(O)C2;TROPINE
NC(CCC=O)C(=O)O;L-GLUTAMATE_GAMMA-SEMIALDEHYDE
NC1=NC(=O)N(C=C1)C2OC(CO)C(O)C2OP(=O)(O)O;CPD-3710
CCCC(=O)CC(=O)OCC;ETHYL-3-OXOHEXANOATE
OC(=O)C=CC=CC(=O)O;CIS-CIS-MUCONATE
CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)CO)C4(C)CC(O)C23;CORTISOL
CC(=O)OCC(O)C#Cc1ccc(s1)c2cccs2;5-3-HYDROXY-4-ACETOXYBUT-1-YNYL-22-B
OC(=O)Cc1ccc(O)c(O)c1;CPD-782
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;GALACTOSE-1P
OC1C(O)C(OC1COP(=O)(O)O)N2CN=CC=C2;PYRIMIDINE-5-NUCLEOTIDE
OC(=O)CC(C=CC(=O)C(=O)O)C(=O)O;CPD-785
OC(=O)CCC=CC(=O)C(=O)O;CPD-786
OC(=O)CC=CC=C(O)C(=O)O;CPD-787
CC1(C)OC2(C)CCC1CC(=O)O2;CPD-788
CC(=O)CCC1CC(=O)OC1(C)C;CPD-789
OP(=O)(O)OP(=O)(O)O;PPI
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(=O)C1O;3-KETOLACTOSE
COC1C(O)C(O)C(O)C(O)C1O;CPD-1701
O=C1CCc2ccccc12;1-INDANONE
CC12CCC3C(CCC4CC(O)CCC34C)C1CC(=O)C2;16-OXOSTEROID
NCCCCNC(=O)C=Cc1ccc(O)c(O)c1;CPD-411
OC1C=C(CC(OC(=O)C=Cc2ccc(O)cc2)C1O)C(=O)O;CPD-412
COc1cc(OC(=O)C(O)C(O)C(O)C(O)C(=O)O)ccc1C=CC(=O)O;CPD-413
CC(=O)NC1C(CC(O)(OC1C(O)C(O)CO)C(=O)O)OC(=O)C;CPD-414
Nc1nc(O)nc(NC2CC2)n1;CPD-7404
COc1cc(C=CC(=O)OC2C(O)CC(O)(CC2O)C(=O)O)ccc1O;CPD-416
CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C;CPD-417
OC(=O)C1CSC(CS(=O)(=O)O)N1;CPD-418
CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C;CPD-419
Oc1ccc2C3Oc4cc(O)ccc4C3(O)COc2c1;6AS11AS-36A9-TRIHYDROXYPTEROCARPAN
OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1;CPD-1118
CC(C)CCCC(C)C1CCC2C3=C(CCC12C)C4(C)CCC(=O)CC4CC3;CPD-8620
NC(CC(=O)N)C(=O)O;CPD-3633
Oc1ccc2C(=O)C(COc2c1)c3cc4OCOc4cc3O;CPD-3630
Oc1ccc2C3Oc4cc5OCOc5cc4C3COc2c1;CPD-3631
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC;CPD-8157
OCC(=O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC1OC(C(O)C1O)N2C=CC(=O)NC2=O;UDP-D-XYLULOSE
CC(N)CC(N)C(=O)O;24DINH2-PENTANOATE
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;CPD-8158
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCC=CCC;CPD-8159
OC(C(=O)O)C(=O)O;2-HYDROXYMALONATE
Brc1ccccc1;BROMOBENZENE
CC1NC2=C(N3C=[N+](C(C)C13)c4ccc(CC(O)C(O)C(O)COC5OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C5O)cc4)C(=O)[NH+]=C(N)N2;METHENYLTETRAHYDROMETHANOPTERIN
CC(=O)Nc1ccccc1;CPD-238
CCC(C)C(=O)Nc1ncc(nc1CCCNC(=N)N)c2c[nH]c3ccccc23;OXIDIZED-CYPRIDINA-LUCIFERIN
OS(=O)O;SO3
O=CC(=O)c1c[nH]c2ccccc12;3-INDOLEGLYOXAL
COc1cc2CCN3Cc4c(CC3c2cc1O)ccc(OC)c4OC;S-TETRAHYDROCOLUMBAMINE
OCC1OC(OCC2OC(O)(CO)C(O)C2O)C(O)C(O)C1O;CPD-230
CC(C)(O)C(=O)C(=O)O;CPD-231
CCCCCCCCCCCCCCC;CPD-7946
NCCCC(N)CC(=O)O;CPD-233
CCCCCCCCCCCCCCCC(=O)OCC(O)COP(=O)(O)O;1-PALMITOYLGLYCEROL-3-PHOSPHATE
OCC(O)C(O)C(O)C(=O)O;CPD-1117
ClC(Cl)(Cl)C(Cl)(Cl)Cl;HEXACHLOROETHANE
NC(=O)Cc1c[nH]c2ccccc12;CPD-237
ONc1ccc(cc1)c2ccccc2;N-HYDROXY-4-AMINOBIPHENYL
CC(=O)NC(CS)C(=O)O;CPD1G-185
CC(O)(CCO)CC(=O)O;MEVALONATE
NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)O)O3)C(=O)N1;DGDP
NCCC(O)C(N)CC(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(CO)NC1=O)C2CCNC(=N)N2;ENVIOMYCIN
CP(=O)(O)OC1C=C(C(F)C(OC(=O)C(=C)O)C1O)C(=O)O;6R-6-FLUORO-EPSP
Oc1ccc(CC2=NC3=C(Cc4ccccc4)NC(=CN3C2=O)c5ccc(O)cc5)cc1;RENILLA-LUCIFERIN
CC1=CN(C2CC(O)C(COP(=O)(O)OP(=O)(O)O)O2)C(=O)N=C1N;CPD-1110
CCC1(CCC(C)C2CCC3C4CCC5CC(O)CCC5(C)C4CCC23C)OC1(C)C;CPD-51
CCCCCCCCCCCCCCCCC(O)C(=O)O;S-2-HYDROXYSTEARATE
CC(=CCOP(=O)(O)OP(=O)(O)O)CCC1C(=C)CCC2C(C)(C)CCCC12C;CPD-8719
O=S1c2ccccc2c3ccccc13;CPD-943
CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(CO)C3CC2;CPD-8714
OCC1OC(O)C(Oc2ccc3C(=O)c4ccccc4C(=O)c3c2O)C(O)C1O;1-HYDROXY-2-BETA-D-GLUCOSYLOXY-910-AN
CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(C=O)C3CC2;CPD-8716
CC(C)C1=CC2=C(CC1)C3(C)CCCC(C)(C3CC2)C(=O)O;CPD-8717
CC(=C1CCC2C(=C1)CCC3C(C)(CCCC23C)C(O)O)C;CPD-8710
CC(=C1CCC2C(=C1)CCC3C(C)(CCCC23C)C=O)C;CPD-8711
CC(=C1CCC2C(=C1)CCC3C2(C)CCCC3(C)C(=O)O)C;CPD-8712
CC(=CCSCC(N)C(=O)O)C;S-PRENYL-L-CYSTEINE
COc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2O;DIHYDROBIOCHANIN-A
Oc1ccnc2ccccc12;QUINOLIN-4-OL
CCCC(C(O)C(=O)O)C(=O)O;CPD-52
NC1=NC2=C(N=C(CN2)C(O)C(O)CO)C(=O)N1;DIHYDRO-NEO-PTERIN
O=C1C2CC3CC(CC1C3)C2;CPD-743
OC(=O)CCCc1cccnc1;4-3-PYRIDYL-BUTANOATE
O1C(C1c2ccccc2)c3ccccc3;CPD-8984
CC(C)(CO)C(=O)C(=O)O;2-DEHYDROPANTOATE
CC(N(C)C(=O)N)C(=O)O;N-METHYL-N-CARBAMOYL-D-ALANINE
Nc1ncnc2c1ncn2C3OC(CO)C(OP(=O)(O)O)C3O;CPD-3706
OC(=O)CC(OP(=O)(O)O)C(=O)O;R-PHOSPHOMALATE
OC(=O)COc1ccc(Cl)cc1Cl;CPD-9009
Nc1ncnc2c1ncn2C3OC(CO)C(O)C3OP(=O)(O)O;CPD-3705
CC(=O)NCCCCC(=O)O;5-ACETAMIDOVALERATE
CC(C=O)C(=O)O;CH3-MALONATE-S-ALD
OC(C(=O)O)c1ccccc1;CPD-122
Oc1cccc(O)n1;CPD-123
COC1=C(Oc2cc(OC)c(O)c(O)c2C1=O)c3ccc(O)c(O)c3;3456-TETRAHYDROXY-37-DIMETHOXYFLAV
NC(CCC(=O)NCCCC(=O)O)C(=O)O;CPD-9000
CC(O)C(C)[N+](=O)[O-];CPD-8151
CC(=O)OC12COC1CC(O)C3(C)C2C(O)C4(O)CC(O)C(=C(C(O)C3=O)C4(C)C)C;10-DEACETYL-2-DEBENZOYLBACCATIN-III
OC1C(O)C(OC1COP(=O)(O)O)n2cncc2NC(=O)O;CPD-9005
NC(CC(O)C(=O)O)C(=O)O;L-ERYTHRO-4-HYDROXY-GLUTAMATE
CC(=O)NC(CSCO)C(=O)NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;S-HYDROXYMETHYLMYCOTHIOL
CC(CO)CCCC(C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(O)C12C;5-BETA-CHOLESTANE-3-ALPHA7-TETRAOL
OCC1OC(OC2C(O)C(O)C(CO)OC2c3c(O)cc4OC(=CC(=O)c4c3O)c5ccc(O)cc5)C(O)C(O)C1O;ISOVITEXIN-2-O-B-D-GLUCOSIDE
NC(CN1C=CC(=O)NC1=O)C(=O)O;3-URACIL-1-YL-L-SERINE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC;CPD-7776
O=CC(=O)c1ccccc1;PHENYLGLYOXAL
NC(C(O)c1ccccc1)C(=O)O;CPD-8855
CCC1=CC=CC(O)C1O;CIS-12-DIHYDRO-3-ETHYLCATECHOL
NCCc1c[nH]c2ccc(O)cc12;SEROTONIN
Cc1c(CCC(=O)O)c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(Cc1[nH]2)c(CCC(=O)O)c5C)c(CCC(=O)O)c4C)c(CCC(=O)O)c3C;COPROPORPHYRINOGEN_I
OC(=O)C1CC(=CC=[N+]2CCc3cc(O)c(O)cc23)C=C(N1)C(=O)O;CPD-8854
NC(CSSCC(N)C(=O)O)C(=O)O;CYSTINE
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)cc(C)c2O1;BETA-TOCOPHEROL
OCC1OC(OC2C(O)C(O)C(O)OC2CO)C(O)C(O)C1O;CELLOBIOSE
CC(C)C1=CCC2C(=C1)CCC3C(C)(CO)CCCC23C;CPD-8705
OCC(O)C(O)C(=O)O;L-THREONATE
NC(CCCCNC(=N)N)C(=O)O;HOMOARGININE
OCC(O)C(=O)COP(=O)(O)O;ERYTHRULOSE-1P
CC(C)CCCC(C)CCCC(C)CCCC(=CCOP(=O)(O)OP(=O)(O)O)C;PHYTYL-PYROPHOSPHATE
NCCC1=CC(=O)C(=O)C=C1;CPD-8851
[F-];F-
CC(CCC=C(C)C)C1CCC2C3=C(CCC12C)C4(C)CCC(O)C(C)C4CC3;4-METHYL-824-CHOLESTADIENOL
CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2cc(O)cc(C)c2O1;DELTA-TOCOPHEROL
OC1CC(O)(CC(OC(=O)C=Cc2ccc(O)c(O)c2)C1O)C(=O)O;CAFFEOYLQUINATE
CCCCCCCCCCCCCCC(O)C(O)C(CO)NC(=O)C(O)CCCCCCCCCC;CPD-8448
COP(=O)(O)C(=O)C;METHYL-ACETYLPHOSPHONATE
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;UBIQUINONE-9
CCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8440
CCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8441
CC(=O)Nc1ccccc1C(=O)O;N-ACETYLANTHRANILATE
CCCCCCCCCCCCCCCCCCCCCCCCC(O)C(=O)NC(CO)C(O)C=CCCC=CCCCCCCCCC;CPD-8443
COC1C(O)C(O)C(O)C(O)C1O;5-O-METHYL-MYO-INOSITOL
OC(=O)CCCCCC1NC(=O)NC1CS;CPD-5662
OCC1OC(Oc2cccc3C(CC(=O)O)C(=O)Nc23)C(O)C(O)C1O;7-HYDROXY-2-OXINDOLE-3-ACETIC-ACID-GLUCO
OP(=O)(O)OC1C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)O)C(OP(=O)(O)O)C1OP(=O)(O)O;5-DIPHOSPHO-1D-MYO-INOSITOL-12346P
CC1CC(=O)C=C(C)C12CCC(C2)C(=C)C;CPD-4721
CN(C)Cc1c[nH]c2ccccc12;CPD-8915
NC(C1CC(=NO1)Cl)C(=O)O;CPD0-1036
OC(=O)C(=CC=CC=O)O;HYDROXYMUCONATE-SALD
OCC(O)C(O)C(=O)CO;D-XYLULOSE
OC(=O)CC1C(=O)Nc2ccccc12;2-OXINDOLE-3-ACETIC-ACID
CC(Nc1ccc(CC(O)C(O)C(O)COC2OC(COP(=O)(O)OC(CCC(=O)O)C(=O)O)C(O)C2O)cc1)C3C(C)NC4=C(N3C)C(=O)[NH+]=C(N)N4;METHYL-THMPT
OCC1OC(Oc2cc3c(O)cc(O)cc3[o+]c2c4ccc(O)c(O)c4)C(O)C(O)C1O;CPD1F-766
COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C;UBIQUINONE-2
OC(=O)CCl;CHLOROACETIC-ACID
CCCCCC=CCC=CC=CC=CC(SCC(NC(=O)CCC(N)C(=O)O)C(=O)NCC(=O)O)C(O)CCCC(=O)O;LEUKOTRIENE-C4
OCCC(=O)O;3-HYDROXY-PROPIONATE
NC(=CC=CC=O)C(=O)O;2-AMINOMUCONATE_SEMIALDEHYDE
NC(=N)NCCS(=O)(=O)O;HYPOTAUROCYAMINE
CN(C)CCO;CPD-5602
Nc1nc(N)nc(O)n1;CPD-7399
Nc1nc(N)nc(N)n1;CPD-7398
Nc1cc(O)ccc1O;AMINOHYDROQUINONE
OC(=O)CCCCCC=O;CPD-338
OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)cc3)c(O)c2)C(O)C(O)C1O;CPD-7391
OCC1OC(Oc2ccc(C(=O)C=Cc3ccc(O)c(O)c3)c(O)c2)C(O)C(O)C1O;CPD-7390
OCC1OC(Oc2ccc3C(=O)C(=Cc4ccc(O)c(O)c4)Oc3c2)C(O)C(O)C1O;CPD-7392
OS(=O)S(=O)O;HYDROSULFITE
OC(=O)C1CCCN1;D-PROLINE
CC1=CC(=CC(=O)O1)O;CPD-6862
OC1C(O)C(OC1COP(=O)(O)O)C2=CNC(=O)NC2=O;PSEUDOURIDINE-5-P
NC(CCC(=O)O)C(=O)O;GLT
OC(COP(=O)(O)O)C(=O)C(=O)O;3OH-4P-OH-ALPHA-KETOBUTYRATE
CC(=CCNc1ncnc2nc[nH]c12)COC3OC(CO)C(O)C(O)C3O;CPD-4620
CC(CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O;CPD-4621
CC(=CCNc1ncnc2c1ncn2C3OC(CO)C(O)C(O)C3O)COC4OC(CO)C(O)C(O)C4O;CPD-4622
OCC1OC(OP(=O)(O)O)C(O)C(O)C1O;CPD0-1030
NC(=O)CC(=O)O;DICARBOXYLIC-ACID-MONOAMIDE
NCC(=O)NC(CCC(=O)O)C(=O)O;CPD-3569
O=C1CCCO1;CPD-8574
CCC(O)C(=O)O;CPD-3564
COC1OC(CO)C(O)C(O)C1O;CPD-3565
OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-];CHLORAMPHENICOL
OCC1OC([O+]C2C(CO)OC(O)(CO)C2O)C(O)C(O)C1O;CPD-3561
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(=O)C(O)CC4(C)C3CCC12C;CPD-331
NC(CCC(=O)NC(CSS)C(=O)NCC(=O)O)C(=O)O;GLUTATHIONE-SULFIDE
OCC1OC(OC2C(O)C(O)C(OC3C(O)C(O)C(O)OC3CO)OC2CO)C(O)C(O)C1O;MALTOTRIOSE
OC(=O)CC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O;N2-MALONYL-D-TRYPTOPHAN
OCC#CCO;2-BUTYNE-14-DIOL
NC(=O)NC(CCC(=O)O)C(=O)O;N-CARBAMYL-L-GLUTAMATE
CC(=CCNc1ncnc2c1ncn2C3OC(COP(=O)(O)O)C(O)C3O)C;ISOPENTENYLADENOSINE-5-MONOPHOS
OCC(O)C(O)C(=O)C(=O)C(=O)O;2,3-diketo-l-gulonate
OC(=O)C(=O)c1c[nH]c2ccccc12;INDOLE-3-GLYOXYLATE
CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C;PALMITOYL-CARNITINE
COc1cc(O)cc2C(=O)c3cc(C)cc(O)c3C(=O)c12;QUESTIN
CC(C)CCCC(C)(O)C1[CH]CC2C3CC=C4CC(O)CCC4(C)C3CCC12C;20A-HYDROXY-CHOLESTEROL
CC(=O)n1cc(O)c2ccccc12;N-ACETYLINDOXYL
OC(=O)C(=O)CCCC(=O)c1ccccc1;26-DIOXO-6-PHENYLHEXANOATE
Oc1ccc2c(O)cc(O)cc2c1;TRINAPHTAL-CPD
CC(=CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CPD-882
OC1C(O)C(OC1COP(=O)(O)O)n2cncc2NC(=O)O;CPD0-181
OC(C(O)C(=O)O)C(=O)O;MESO-TARTRATE
CCC(=O)OP(=O)(O)O;PROPIONYL-P
CC(=O)NC(CS)C(=O)NC1C(O)C(O)C(CO)OC1OC2C(O)C(O)C(O)C(O)C2O;CPD1G-2
OC(C(CCCCC(=O)O)C(=O)O)C(=O)O;CPD-336
CCCCCCCCCCCCCCCC;CPD-8509
Oc1ccc2c(Cc3ccccc23)c1O;1-2DHFLUORENE
Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccccc3;CPD-8184
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(N)C(O)C1O;CPD-4822
NC1CC(N)C(OC2OC(CO)C(O)C(N)C2O)C(O)C1OC3OC(CO)C(O)C(O)C3N;CPD-4823
OC1OC(C(O)C(O)C1O)C(=O)O;D-GALACTURONATE
CC(=CCc1c(O)cc(O)c2C(=O)C(COc12)c3ccc(O)cc3O)C;KIEVITONE-CPD
OC(=O)c1cccc(O)c1;3-HYDROXYBENZOATE
CC1C2CCC3(C)C=CC(=C(C)C3C2OC1=O)O;12-DIHYDROSANTONIN
CN1CCCC1c2cccnc2;R-NICOTINE
OCc1cccc(O)c1;3-OH-BENZYL-ALCOHOL
NC(CSC(O)c1c[nH]c2ccccc12)C(=O)O;INDOLE-HYDROXYMETHYL-S-CYSTEINE-ADDUCT
CC(CCCC(C)(C)O)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C;CPD-7241
Oc1ccc2C=CC(=O)Oc2c1;CPD-8186
CC(CCO)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CPD-7247
CC(=O)NC1C(O)C(O)C(CO)OC1OP(=O)(O)O;CPD-7246
CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C;CPD-881
CC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCCC(=CCC1=C(C)C(=O)c2ccccc2C1=O)C)C)C)C)C)C)C)C;VITAMIN_K_{2}
CC(=O)N(O)c1ccc2c(Cc3ccccc23)c1;N-HYDROXY-2-ACETAMIDOFLUORENE
Nc1ccc(cc1)C(=O)OC2OC(CO)C(O)C(O)C2O;CPD-5804
CC(C)C(C)C=CC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C;LUMISTEROL
OC1C(=O)Nc2ccccc12;DIOXINDOLE
CC1(C)SC2C(NC(=O)CCCC([N+])C(=O)O)C(=O)N2C1C(=O)O;PENICILLIN-N
NC(=O)C=C;ACRYLAMIDE
NC(=N)NCCCC(NC(=O)c1ccccc1)C(=O)O;N-BENZOYL-D-ARGININE
CCCCCC(O)C=CC1C(O)CC2OC(=CCCCC(=O)O)CC12;5Z13E-15S-69-ALPHA-EPOXY-11-ALPHA
NC(=C(C=CC=O)C(=O)O)C(=O)O;2-AMINO-3-CARBOXYMUCONATE_SEMIALDEHYDE
COc1cc(C=CC(=O)OCC2OC(=O)C(O)C(O)C2O)cc(OC)c1O;O-SINAPOYLGLUCAROLACTONE
CC1OC(OP(=O)(O)OP(=O)(O)OCC2OC(CC2O)N3C=CC(=O)NC3=O)C(O)C(O)C1O;DUDP-L-RHAMNOSE
CC(C)C(C)C=CC(C)C1CCC2C(=CC=C3CC(O)CCC3=C)CCCC12C;VITAMIN_D_{2}
OC(=O)c1ccc(O)cc1O;CPD-8815
CC(C(N)C(=O)O)C(=O)O;L-THREO-3-METHYL-ASPARTATE
OCC1OC(Nc2ccccc2)C(O)C(O)C1O;D-GLUCOSYLARYLAMINE
OC1C(O)C(OC1COP(=O)(O)OP(=O)(O)O)n2cnc3C(=O)NC=Nc23;IDP
OC(C(O)C(=O)O)C(=O)O;TARTRATE
CC(OP(=O)(O)O)C(=O)O;S-PHOSPHOLACTATE
COC(=O)c1ccccc1O;CPD-6442
CC(=O)OCC(NC(=O)C(Cl)Cl)C(O)c1ccc(cc1)[N+](=O)[O-];CHLORAMPHENICOL-3-ACETATE
COC(=O)c1ccccc1;CPD-6441
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;D-MYO-INOSITOL-1-MONOPHOSPHATE
CC1(C)C(O)CCC2(C)C1CCC3(C)C2C(=O)C=C4C5CC(C)(CCC5(C)CCC34C)C(=O)O;3-ALPHA-HYDROXYGLYCYRRHETINATE
OC1=NC2=NC(=O)NC(=O)C2(O)N1;5-HYDROXYISOURATE
OC1CCCCC1;CYCLOHEXANOL
CCCCCCCCCCCCCCCCCCCC(=O)O;ARACHIDIC_ACID
COC(=O)CCN;BETA-ALANINE-METHYL-ESTER
Cc1ncc(C[n+]2csc(CCOP(=O)(O)OP(=O)(O)O)c2C)c(N)n1;THIAMINE-PYROPHOSPHATE
CCCCC(CC)COC(=O)c1ccccc1C(=O)OCC(CC)CCCC;BIS2-ETHYLHEXYLPHTHALATE
CON1C(=O)C(OC2OC(CO)C(O)C(O)C2O)Oc3ccccc13;CPD-6627
OCC(O)C(O)C(O)C(O)CC(=O)C(=O)O;3-DEOXYOCTULOSONIC-ACID
Oc1cc(cc(c1O)S(=O)(=O)O)S(=O)(=O)O;TIRON
NC(CC(=O)c1ccccc1NC=O)C(=O)O;N-FORMYLKYNURENINE
OC(=O)C(=O)Cc1cc(I)c(O)c(I)c1;DIIODO-4-HYDROXYPHENYLPYRUVATE
NCC(N)C(=O)O;L-23-DIAMINOPROPANOATE
Oc1ccc2ccc3ccccc3c2c1O;PHENANTHRENE-34-DIOL
CC(=CCCC(=C)C1CCC(=CC1)C)C;CPD-8246
OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)C1O;CPD-193
CC(=O)c1ccccc1;PHENYL
Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O)OC4OC(C(O)CO)C(O)C(O)C4O)C(O)C3O;ADP-L-GLYCERO-D-MANNO-HEPTOSE
CC(C)CCCC(C)C1CCC2(C)C3=CCC4C(C)(C)C(O)CCC4(C)C3CCC12C;44-DIMETHYL-5ALPHA-CHOLEST-7-EN-3BET
C[N+](C)(C)CC(=O)O;BETAINE
Oc1cccc(C(=O)NC2COC(=O)C(COC(=O)C(COC2=O)NC(=O)c3cccc(O)c3O)NC(=O)c4cccc(O)c4O)c1O;ENTEROBACTIN
NCCCCC(N)C(=O)NC1CNC(=O)C(NC(=O)C(=CNC(=O)N)NC(=O)C(CO)NC(=O)C(COP(=O)(O)O)NC1=O)C2CC(O)NC(=N)N2;VIOMYCIN-P
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;CPD-6701
CC(N)Cc1ccccc1;CPD-7659
OC1C(O)C(O)C(OP(=O)(O)O)C(O)C1O;CPD-6702
NCCC(=O)c1ccccc1N;CPD-7654
CCCCCCCCOC1OC(CO)C(O)C(O)C1O;CPD-7655
CN(CCCOc1ccc(Cl)cc1Cl)CC#C;CPD-7656
CC(C)(N)Cc1ccccc1;CPD-7657
COc1cc(CCN)ccc1O;CPD-7650
COc1cc(CC(=O)O)ccc1O;CPD-7651
Nc1ccc(cc1)C2OC(COP(=O)(O)O)C(O)C2O;CPD-7652
OCC1(O)COC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C1O;UDP-APIOSE
CC(CCC=C(C)C)C1CCC(=C)C=C1;CPD-8247
CC1CC(C)C(=O)C(C1)C(O)CC2CC(=O)NC(=O)C2;CPD-7099
OC=C;POLYVINYL-ALCOHOL
ONc1cc[n+]([O-])c2ccccc12;4-HYDROXYAMINOQUINOLINE-N-OXIDE
CC1(C)C(O)CCC2(C)C3CCC(C)(C=C)C=C3C(=O)CC12;CPD-7093
Oc1cc(O)c2cc(O)c([o+]c2c1)c3cc(O)c(O)c(O)c3;CPD-7090
Nc1nc(O)nc2c1ncn2C3CC(O)C(COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O3;2-HYDROXYDEOXYADENOSINE-5-TRIPHOSPHATE
Oc1ccc(cc1)c2ccc3c(O)cc(O)cc3[o+]2;CPD-7096
CC1(C)CCCC2(C)C3CCC(C)(C=C)C=C3CCC12;CPD-7097
CC1C2CCC3C(C)(C)C(=O)C(O)CC3(C)C2C(=O)C=C1C=C;CPD-7094
CCC=CCC1C(CCONC(Cc2ccccc2)C(=O)O)CCC1=O;CPD-7095
NC(CCCC(=O)NC1C2SCC(=C(N2C1=O)C(=O)O)CO)C(=O)O;DEACETYLCEPHALOSPORIN-C
CC(=C1C(=O)C2C3C(Cc4cccc5[nH]cc3c45)C(C)(C)N2C1=O)O;ALPHA-CYCLOPIAZONATE
Cc1ccc(cc1)C2(C)CCCC2(C)C;CPD-8244
OCC1OC(SC(=NO)Cc2ccccc2)C(O)C(O)C1O;DESULFOGLUCOTROPEOLIN
CC1OC(OC2=C(Oc3cc(OC4OC(CO)C(O)C(O)C4O)cc(O)c3C2=O)c5ccc(O)c(O)c5)C(O)C(O)C1O;CPD-8011
NC(CCC(=O)NC(CS)C(=O)NCC(=O)O)C(=O)O;GLUTATHIONE
OCC1OC(CO)(OCC2OC(CO)(OCC3OC(OC4(CO)OC(CO)C(O)C4O)C(O)C(O)C3O)C(O)C2O)C(O)C1O;CPD-2281
NC(O)P;ANOTHER-STRANGE-GROUP
OC(=O)C(=O)CCCC(=O)C(=O)O;CPD-5061
NC1=NC(=O)N(C=C1)C2OC(COP(=O)(O)OP(=O)(O)O)C(O)C2O;CDP
COc1c(O)cc(O)c2C(=O)C(=C(Oc12)c3ccc(O)c(O)c3)O;33457-PENTAHYDROXY-8-METHOXYFLAVON
Nc1ncnc2c1ncn2C3CC(O)C(CO)O3;DEOXYADENOSINE
OCC(O)C1OC(OP(=O)(O)OP(=O)(O)OCC2OC(C(O)C2O)N3C=CC(=O)NC3=O)C(O)C1O;UDP-D-GALACTO-14-FURANOSE
NC(=N)S(=O)O;CPD0-1038
Oc1nc(O)nc(NC2CC2)n1;CPD-7405
CC(=O)OC(CC(=O)O)C[N+](C)(C)C;(-)o-acetylcarnitine
NC(CCS)C(=O)O;HOMO-CYS
OC(=O)CC(O)(CC(=O)O)C(=O)O;CIT
OCC(O)C(=O)CO;ERYTHRULOSE
CC1=CCC2(CC1)C(=CCCC2(C)C)C;CPD-8245
NCCCCC(N)C(=O)Nc1ccc(cc1)[N+](=O)O;CPD-7684
OC(=O)c1nc2NC(=O)NC(=O)c2[nH]1;XANTHINE-8-CARBOXYLATE
OP(=O)(O)c1ccccc1;CPD0-1078
COc1cc(O)c(CC(O)C(=C)C)c(O)c1C(=O)C=Cc2ccc(O)cc2;CPD-7129
CC(O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C;17-ALPHA20-ALPHA-DIHYDROXYPREGN-4-EN-3-
CNC1CC2OC(C)(C1O)n3c4ccccc4c5c6CNC(=O)c6c7c8ccccc8n2c7c35;3-DEMETHYLSTAUROSPORINE
CC(=O)OP(=O)(O)OCC1OC(C(O)C1O)n2cnc3c(N)ncnc23;ACETYL_AMP
COc1ccc2CC3C4C=CC(=O)C5Oc1c2C45CCN3C;CODEINONE
CCP(=O)(O)O;CPD0-1075
NCP(=O)(O)O;CPD0-1074
[OH3+];OXONIUM
CCCP(=O)(O)O;CPD0-1076
CCC(O)C(N)C(=O)O;CPD-8857
NC(C(O)c1ccccc1)C(=O)O;CPD-8856
Oc1ccc(cc1)C2=COc3cc(O)cc(O)c3C2=O;CPD-3141
OCC(=O)C(O)C(O)C(O)C(=O)O;5-DEHYDROGLUCONATE
Nc1cccc(N)n1;DAP
OCC1OC(O)C(O)C(O)C1O;GULOSE
CC(N)C(=O)NCC(=O)O;ALA-GLY
CC(CCC=C(C)C)C12CCC(=C)C1C2;CPD-8850
OC(=O)CC1(Cl)OC(=O)C(=C1)Cl;24-DICHLORO-25-DIHYDRO-5-OXOFURAN-2-AC
OC(=O)C=CC=C(Cl)C(=O)O;2-CL-MUCONATE
CC(CCC=C(C)C)C1CC=C(C)C=C1;CPD-8242
[S-2];CPD-7046
CC(C(O)CCC(C)(C)O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C;ECDYSONE
NC(C(O)c1ccc(O)c(O)c1)C(=O)O;CPD-8858
OC(COP(=O)(O)O)C(O)C(O)C(=O)C(=O)O;CPD-339
CC1(C)OC(CC(=O)O)C2(CO)C1CC(=O)C3(C)C2CCC(C)(C(O)c4cocc4)C35OC5C(=O)O;LIMONOATE
OS(=O)(=O)c1ccccc1;BENZENESULFONATE
CC(OP(=O)(O)O)C(=O)O;R-PHOSPHOLACTATE
NC(CCCC(N)C(=O)O)C(=O)O;LL-DIAMINOPIMELATE
NCCN;CPD-3682
OCC(O)C1OC(=O)C(O)C1O;CPD-330
OC(CCCC(=O)O)C(=O)O;CPD-333
CC(CO)CCNc1ncnc2[nH]cnc12;CPD-332
CCCCCCCCCCCCCCC(O)C(O)C(N)CO;PHYTOSPINGOSINE
OCC(O)C(O)C(=O)C(=O)C(=O)O;CPD-334
OC(=O)CCCCCC(=O)C(=O)O;CPD-337
OC(C(O)C(=O)O)C(OP(=O)(O)O)C(O)C(=O)O;3-PHOSPHOGLUCARATE
NC(CS(=O)(=O)O)C(=O)O;L-CYSTEATE
NCC(O)c1ccc(O)c(O)c1;NOREPINEPHRINE
NC(CCCNC(=O)N)C(=O)O;L-CITRULLINE
CC(=O)NC(Cc1c[nH]cn1)C(=O)O;CPD-424
CC1=CC=C(CC1)C2(C)CCCC2(C)C;CPD-8243
OC(=O)CC[N+](=O)[O-];3-NITROPROPANOATE
CC(=O)COP(=O)(O)O;HYDROXYACETONE-PHOSPHATE
CC12CCCC3(OC1=O)C4CCC5CC4(CC5=C)C(C23)C(=O)O;C19SKELETON
NC(=O)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(C(OP(=O)(O)O)C3O)n4cnc5c(N)ncnc45)C(O)C2O;NADPH
Cc1ncc(C(=O)O)c(CO)c1O;3-HYDROXY-ETCETERA-CARBOXYLATE
CC(=O)C(=O)C(O)CO;DIHYDROXYPENTANEDIONE
NNc1ccc(CO)cc1;4-HYDROXYMETHYLPHENYLHYDRAZINE
CC(=O)NC1C(O)OC(CO)C(O)C1O;N-ACETYL-D-MANNOSAMINE
CC(=O)ONc1ccc(cc1)c2ccccc2;N-ACETOXY-4-AMINOBIPHENYL
NC1CCOC1=O;HOMOSERINE-LACTONE
COc1cc2C=CC(=O)Oc2cc1OC3OC(CO)C(O)C(O)C3O;SCOPOLIN
OC(=O)C=C(Cl)C=C(Cl)C(=O)O;24-DICHLORO-CISCIS-MUCONATE
OC1C=C(C(=O)O)C(=CC1O)C(=O)O;CIS-45-DIHYDROXYCYCLOHEXA-162-DIENE-
CCCCCCCCCCCCCCCC(=O)OC1CC2C(=O)C=C3C(CCC4(C)C(CCC34O)C(C)C(O)CCC(C)(C)O)C2(C)CC1O;CPD-429
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCCCC;CPD-7775
CC1CCC(C(=C)C)C12CCC(=CC2)C;CPD-8240
OC(=O)CNC(=O)c1ccccc1;CPD-425
OC1COC(O)C(O)C1O;ARABINOSE
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC;CPD-7774
NC(=N)NCCCC(NC(=O)CCC(=O)O)C(=O)O;CPD-421
CC(=O)NC(CC(=O)O)C(=O)O;CPD-420
OC(=O)c1ccccc1NC(=O)c2ccccc2;CPD-423
OC(=O)CC(=O)Nc1ccccc1C(=O)O;CPD-422