Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

    • << < 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    23401 HLS
    CHEMBL5172311    		 2 C20 H23 F N4 O3 InChI=1S/C20H23FN4O3/c1-2
    7-16-7-13(8-17(10-16)28-2
    )11-24-19(26)14-3-4-18(21
    )15(9-14)12-25-20-22-5-6-
    23-20/h3-4,7-10H,5-6,11-1
    2H2,1-2H3,(H,24,26)(H2,22
    ,23,25);
    VDAMWMOTTUWVPR-UHFFFAOYSA-N    		 N(C(=O)c1cc(c(F)cc1)CNC2=NCCN2)Cc3cc(cc(
    c3)OC)OC; COc1cc(cc(c1)OC)CNC(=O)c2ccc(c
    (c2)CNC3=NCCN3)F; COc1cc(CNC(=O)c2ccc(F)
    c(CNC3=NCCN3)c2)cc(OC)c1    		 3-{[(4,5-dihydro-1H-imidazol-2-yl)amino]methyl}-N-[(3,5-dimethoxyphenyl)methyl]-4-fluorobenzamide
    23402 HLT
    ZINC000008220828    		 14 C2 H Br Cl F3 InChI=1S/C2HBrClF3/c3-1(4
    )2(5,6)7/h1H/t1-/m0/s1;
    BCQZXOMGPXTTIC-SFOWXEAESA-N    		 [C@@H](C(F)(F)F)(Cl)Br; C(C(F)(F)F)(Cl)B
    r; BrC(Cl)C(F)(F)F; FC(F)(F)[C@H](Cl)Br;
    FC(F)(F)[CH](Cl)Br    		 2-BROMO-2-CHLORO-1,1,1-TRIFLUOROETHANE
    23403 HLU
    DB02978
    ZINC000001715386    		 0 C6 H13 N O3 InChI=1S/C6H13NO3/c1-3(2)
    5(8)4(7)6(9)10/h3-5,8H,7H
    2,1-2H3,(H,9,10)/t4-,5-/m
    0/s1;
    ZAYJDMWJYCTABM-WHFBIAKZSA-N    		 CC(C)[CH](O)[CH](N)C(O)=O; CC(C)[C@@H]([
    C@@H](C(=O)O)N)O; CC(C)[C@H](O)[C@H](N)C
    (O)=O; CC(C)C(C(C(=O)O)N)O; O=C(O)C(N)C(
    O)C(C)C    		 BETA-HYDROXYLEUCINE
    23404 HLV
    CHEMBL5272748
    ZINC000012360277    		 0 C14 H13 N O2 InChI=1S/C14H13NO2/c15-7-
    8-16-10-5-6-14-12(9-10)11
    -3-1-2-4-13(11)17-14/h1-6
    ,9H,7-8,15H2;
    LFVBNMSDBXKNRO-UHFFFAOYSA-N    		 c12cc(ccc1oc3c2cccc3)OCCN; c1ccc2c(c1)c3
    cc(ccc3o2)OCCN; NCCOc1ccc2oc3ccccc3c2c1    		 2-[(dibenzo[b,d]furan-2-yl)oxy]ethan-1-amine
    23405 HLW
    CHEMBL3547108
    ZINC000263621135    		 4 C18 H20 Cl N5 InChI=1S/C18H20ClN5/c19-1
    6-5-1-3-15(13-16)4-2-8-20
    -9-6-17-7-10-22-18(23-17)
    24-12-11-21-14-24/h1,3,5,
    7,10-14,20H,2,4,6,8-9H2;
    VPDCBONBBAYCIG-UHFFFAOYSA-N    		 Clc1cccc(CCCNCCc2ccnc(n2)n3ccnc3)c1; c1c
    c(cc(c1)Cl)CCCNCCc2ccnc(n2)n3ccnc3; Clc1
    cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3    		 3-(3-chlorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine;
    N-2-(2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL)ETHYL-3-(3-CHLOROPHENYL)PROPAN-1-AMINE
    23406 HLX
    ZINC000001672985    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-5(2)
    3-4-6(8)7(9)10/h5-6H,3-4,
    8H2,1-2H3,(H,9,10)/t6-/m0
    /s1;
    FMUMEWVNYMUECA-LURJTMIESA-N    		 CC(C)CC[C@@H](C(=O)O)N; CC(C)CC[C@H](N)C
    (O)=O; CC(C)CC[CH](N)C(O)=O; O=C(O)C(N)C
    CC(C)C; CC(C)CCC(C(=O)O)N    		 5-methyl-L-norleucine
    23407 HLY 0 C12 H22 N2 O6 InChI=1S/C12H22N2O6/c1-12
    (20,7-10(16)17)6-9(15)14-
    5-3-2-4-8(13)11(18)19/h8,
    20H,2-7,13H2,1H3,(H,14,15
    )(H,16,17)(H,18,19)/t8-,1
    2+/m0/s1;
    AIRHRYXMAJQOFD-QPUJVOFHSA-N    		 C[C@@](CC(=O)NCCCC[C@@H](C(=O)O)N)(CC(=O
    )O)O; C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)
    C(O)=O; C[C@](O)(CC(O)=O)CC(=O)NCCCC[C@H
    ](N)C(O)=O; CC(CC(=O)NCCCCC(C(=O)O)N)(CC
    (=O)O)O    		 (3~{R})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid
    23408 HLZ
    CHEMBL276832
    DB01275
    ZINC000012360535    		 2 C8 H8 N4 InChI=1S/C8H8N4/c9-11-8-7
    -4-2-1-3-6(7)5-10-12-8/h1
    -5H,9H2,(H,11,12);
    RPTUSVTUFVMDQK-UHFFFAOYSA-N    		 NNc1nncc2ccccc12; n2nc(c1ccccc1c2)NN; c1
    ccc2c(c1)cnnc2NN    		 1-hydrazinophthalazine;
    Hydralazine;
    phthalazin-1-ylhydrazine
    23409 HM0
    CHEMBL5181819    		 2 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c11-8(
    12)7-9-4-5-10(7)6-2-1-3-6
    /h4-6H,1-3H2,(H,11,12);
    NZCLFPVXVQMPNV-UHFFFAOYSA-N    		 c1cn(c(n1)C(=O)O)C2CCC2; OC(=O)c1nccn1C2
    CCC2    		 1-cyclobutylimidazole-2-carboxylic acid
    23410 HM2
    CHEMBL472879
    DB07901
    ZINC000000108774    		 1 C18 H17 Cl N4 InChI=1S/C18H17ClN4/c1-13
    -16(19)18(21-12-10-14-7-3
    -2-4-8-14)23-17(22-13)15-
    9-5-6-11-20-15/h2-9,11H,1
    0,12H2,1H3,(H,21,22,23);
    HIUOABSWQSUEGK-UHFFFAOYSA-N    		 Clc1c(nc(nc1C)c2ncccc2)NCCc3ccccc3; Cc1n
    c(nc(NCCc2ccccc2)c1Cl)c3ccccn3; Cc1c(c(n
    c(n1)c2ccccn2)NCCc3ccccc3)Cl    		 5-CHLORO-6-METHYL-N-(2-PHENYLETHYL)-2-PYRIDIN-2-YLPYRIMIDIN-4-AMINE
    23411 HM3
    CHEMBL1738813
    ZINC000004352706    		 2 C6 H6 Cl N O InChI=1S/C6H6ClNO/c7-5-1-
    2-8-6(3-5)4-9/h1-3,9H,4H2;
    UEAIOHHGRGSGGJ-UHFFFAOYSA-N    		 Clc1ccnc(c1)CO; OCc1cc(Cl)ccn1; c1cnc(cc
    1Cl)CO    		 (4-chloropyridin-2-yl)methanol;
    4-chloro-2-hydroxymethylpyridine
    23412 HM4
    CHEMBL327579
    DB07902
    ZINC000013521832    		 1 C14 H16 N4 O3 S InChI=1S/C14H16N4O3S/c1-1
    4(2,3)21-13(20)17-9-5-4-6
    -15-10(9)11(19)18-12-16-7
    -8-22-12/h4-8H,1-3H3,(H,1
    7,20)(H,16,18,19);
    QBMYJIFXSXKPFS-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)Nc1cccnc1C(=O)Nc2sccn2; O=
    C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2; CC(C
    )(C)OC(=O)Nc1cccnc1C(=O)Nc2nccs2    		 TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
    23413 HM5
    CHEMBL316308
    DB07903
    ZINC000013521848    		 1 C14 H16 N4 O2 S InChI=1S/C14H16N4O2S/c1-1
    4(2,3)12(20)17-9-5-4-6-15
    -10(9)11(19)18-13-16-7-8-
    21-13/h4-8H,1-3H3,(H,17,2
    0)(H,16,18,19);
    CAVCWRXFMNCBCM-UHFFFAOYSA-N    		 CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc2nccs2; CC(
    C)(C)C(=O)Nc1cccnc1C(=O)Nc2sccn2; O=C(c1
    ncccc1NC(=O)C(C)(C)C)Nc2nccs2    		 3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
    23414 HM6
    ZINC000095920651    		 4 C10 H8 N4 O5 InChI=1S/C10H8N4O5/c15-4-
    5-3-14(13-12-5)6-1-7(9(16
    )17)11-8(2-6)10(18)19/h1-
    3,15H,4H2,(H,16,17)(H,18,
    19);
    JVQVNGYGRNAVBP-UHFFFAOYSA-N    		 O=C(O)c1nc(cc(c1)n2nnc(c2)CO)C(=O)O; c1c
    (cc(nc1C(=O)O)C(=O)O)n2cc(nn2)CO; OCc1cn
    (nn1)c2cc(nc(c2)C(O)=O)C(O)=O    		 4-(4-(hydroxymethyl)-1h-1,2,3-triazol-1-yl)pyridine-2,6-dicarboxylic acid;
    HYDROXYMETHYLTRIAZOLE DIPICOLINIC ACID
    23415 HM7
    ZINC000103544865    		 0 C8 H10 N2 O3 S2 InChI=1S/C8H10N2O3S2/c1-1
    5-3-2-4-6(11)10-7(12)5(9-
    4)8(13)14/h13-14H,2-3H2,1
    H3,(H,10,11,12)/b8-5-;
    NCFKEOIXWQTKQL-YVMONPNESA-N    		 CSCCC1=NC(=C(O)S)C(=O)N=C1O; O=C1N=C(O)C
    (=N\C1=C(/S)O)CCSC; CSCCC1=N/C(=C(/O)\S)
    /C(=O)N=C1O; CSCCC1=N\C(=C(O)/S)C(=O)N=C
    1O    		 3-methylthioethane-pyrazinedione
    23416 HM8
    ZINC000098208996    		 0 C7 H10 N2 O7 S2 InChI=1S/C7H10N2O7S2/c1-2
    (16-18(12,13)14)3(8)5-9-4
    (7(11)17)6(10)15-5/h2-3,1
    0H,8H2,1H3,(H,11,17)(H,12
    ,13,14)/t2-,3+/m1/s1;
    ARRKNNQNBGDPEN-GBXIJSLDSA-N    		 S=C(O)c1nc(oc1O)C(N)C(OS(=O)(=O)O)C; CC(
    C(c1nc(c(o1)O)C(=S)O)N)OS(=O)(=O)O; C[CH
    ](O[S](O)(=O)=O)[CH](N)c1oc(O)c(n1)C(O)=
    S; C[C@@H](O[S](O)(=O)=O)[C@H](N)c1oc(O)
    c(n1)C(O)=S; C[C@H]([C@@H](c1nc(c(o1)O)C
    (=S)O)N)OS(=O)(=O)O    		 2-[(1S,2R)-1-amino-2-(sulfooxy)propyl]-5-hydroxy-1,3-oxazole-4-carbothioic O-acid
    23417 HM9
    ZINC000098208997    		 0 C9 H13 N5 O3 S InChI=1S/C9H13N5O3S/c10-9
    (11)12-3-1-2-4-6(15)14-7(
    16)5(13-4)8(17)18/h1-3H2,
    (H,17,18)(H4,10,11,12)(H2
    ,14,15,16);
    PSYKANVHSUDXBZ-UHFFFAOYSA-N    		 C(Cc1c(nc(c(n1)C(=O)S)O)O)CNC(=N)N; O=C(
    S)c1nc(c(O)nc1O)CCCNC(=[N@H])N; NC(=N)NC
    CCc1nc(C(S)=O)c(O)nc1O    		 6-(3-CARBAMIMIDAMIDOPROPYL)-3,5-DIHYDROXYPYRAZINE-2-CARBOTHIOIC S-ACID
    23418 HMA
    ZINC000003997604    		 0 C3 H8 N2 O2 InChI=1S/C3H8N2O2/c1-2(4)
    3(6)5-7/h2,7H,4H2,1H3,(H,
    5,6)/t2-/m0/s1;
    BAAQJFBTHFOHLY-REOHCLBHSA-N    		 C[CH](N)C(=O)NO; O=C(NO)C(N)C; C[C@@H](C
    (=O)NO)N; CC(C(=O)NO)N; C[C@H](N)C(=O)NO    		 HYDROXYAMINOALANINE
    23419 HMB
    ZINC000098208998    		 2 C5 H10 O4 InChI=1S/C5H10O4/c1-9-5(8
    )3-2-4(6)7/h5,8H,2-3H2,1H
    3,(H,6,7)/t5-/m0/s1;
    ONECVBBAMLSRPV-YFKPBYRVSA-N    		 COC(CCC(=O)O)O; O=C(O)CCC(O)OC; CO[CH](O
    )CCC(O)=O; CO[C@H](O)CCC(O)=O    		 (4S)-4-hydroxy-4-methoxybutanoic acid
    23420 HMC
    CHEMBL1233349
    DB03092    		 12 C7 H12 O5 InChI=1S/C7H12O5/c8-2-3-1
    -4(9)6(11)7(12)5(3)10/h1,
    4-12H,2H2/t4-,5+,6-,7-/m0
    /s1;
    PJPGMULJEYSZBS-VZFHVOOUSA-N    		 C1=C(C(C(C(C1O)O)O)O)CO; OC1C(=CC(O)C(O)
    C1O)CO; C1=C([C@H]([C@@H]([C@H]([C@H]1O)
    O)O)O)CO; OCC1=C[CH](O)[CH](O)[CH](O)[CH
    ]1O; OCC1=C[C@H](O)[C@H](O)[C@@H](O)[C@@
    H]1O    		 5-HYDROXYMETHYL-CHONDURITOL
    23421 HMD
    DB02950
    ZINC000100032696    		 2 C11 H10 Br N5 O2 InChI=1S/C11H10BrN5O2/c12
    -6-3-5-4(7-10(19)17-11(13
    )16-7)1-2-14-9(18)8(5)15-
    6/h3-5H,1-2H2,(H,14,18)(H
    2,13,17,19)/t4-,5-/m0/s1;
    QPCBNXNDVYOBIP-WHFBIAKZSA-N    		 C1CNC(=O)C2=NC(=CC2C1C3=NC(=NC3=O)N)Br;
    NC1=NC(=O)C(=N1)[CH]2CCNC(=O)C3=NC(=C[CH
    ]23)Br; NC1=NC(=O)C(=N1)[C@H]2CCNC(=O)C3
    =NC(=C[C@@H]23)Br; O=C1N=C(N=C1C3CCNC(=O
    )C2=NC(Br)=CC23)N    		 4-(5-AMINO-4-OXO-4H-PYRAZOL-3-YL)-2-BROMO-4,5,6,7-TETRAHYDRO-3AH-PYRROLO[2,3-C]AZEPIN-8-ONE;
    HYMENIALDISINE
    23422 HME 2 C34 H36 Fe N4 O4 InChI=1S/C34H38N4O4.Fe/c1
    -7-21-19(5)31-32-20(6)22(
    8-2)28(38-32)14-12-26-18(
    4)24(10-16-30(41)42)34(36
    -26)33-23(9-15-29(39)40)1
    7(3)25(35-33)11-13-27(21)
    37-31;/h11-14H,7-10,15-16
    H2,1-6H3,(H4,35,36,37,38,
    39,40,41,42);/q;+4/p-2/b1
    3-11-,14-12-,25-11-,26-12
    -,27-13-,28-14-,32-31-,34
    -33-;;
    BSPLEMXAVNPTCC-BWTHIWHLSA-L    		 CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Fe]47n2c1c
    cc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C(=
    C3C)CC)C; CCc1c(C)c2n3c1C=CC4=[N+]5C(=C6
    N7C(=CC=C8C(=C(C)C2=[N+]8[Fe]357)CC)C(=C
    6CCC(O)=O)C)C(=C4C)CCC(O)=O; O=C(O)CCC=8
    C2=C1C(=C(C=3N1[Fe]57[N+]2=C(C=Cc6c(c(c(
    C4=[N+]5C(=CC=3)C(=C4C)CC)n67)C)CC)C=8C)
    C)CCC(=O)O; CCc1c(C)c2n3c1C=CC4=[N+]5C(=
    C6N7C(=CC=C8C(=C(C)C2=[N+]8[Fe@]357)CC)C
    (=C6CCC(O)=O)C)C(=C4C)CCC(O)=O    		 PORPHYCENE CONTAINING FE
    23423 HMF
    ZINC000008075875    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c11-9(
    10(12)13)7-6-8-4-2-1-3-5-
    8/h1-5,9H,6-7,11H2,(H,12,
    13)/t9-/m1/s1;
    JTTHKOPSMAVJFE-SECBINFHSA-N    		 c1ccc(cc1)CCC(C(=O)O)N; c1ccc(cc1)CC[C@H
    ](C(=O)O)N; N[CH](CCc1ccccc1)C(O)=O; N[C
    @H](CCc1ccccc1)C(O)=O; O=C(O)C(N)CCc1ccc
    cc1    		 2-AMINO-4-PHENYL-BUTYRIC ACID;
    D-BETA-HOMOPHENYLALANINE
    23424 HMG
    DB03169    		 31 C27 H39 N7 O20 P3 S InChI=1S/C27H44N7O20P3S/c
    1-26(2,21(40)24(41)30-5-4
    -15(35)29-6-7-58-17(38)9-
    27(3,42)8-16(36)37)11-51-
    57(48,49)54-56(46,47)50-1
    0-14-20(53-55(43,44)45)19
    (39)25(52-14)34-13-33-18-
    22(28)31-12-32-23(18)34/h
    12-14,19-21,25,39-40,42H,
    4-11H2,1-3H3,(H,29,35)(H,
    30,41)(H,36,37)(H,46,47)(
    H,48,49)(H2,28,31,32)(H2,
    43,44,45)/p-5/t14-,19-,20
    -,21+,25-,27+/m1/s1;
    CABVTRNMFUVUDM-VRHQGPGLSA-I    		 C[C@](CC(=O)[O-])(CC(=O)SCCNC(=O)CCNC(=O
    )[C@@H](C(C)(C)COP(=O)([O-])OP(=O)([O-])
    OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2n
    cnc3N)O)OP(=O)([O-])[O-])O)O; C[C@](O)(C
    C([O-])=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](O
    )C(C)(C)CO[P]([O-])(=O)O[P]([O-])(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O[P]([O-])([O
    -])=O)n2cnc3c(N)ncnc23; C[C](O)(CC([O-])
    =O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)
    CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P]([O-])([O-])=O)n2cnc3c
    (N)ncnc23; [O-]C(=O)CC(O)(C)CC(=O)SCCNC(
    =O)CCNC(=O)C(O)C(C)(C)COP([O-])(=O)OP([O
    -])(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(
    [O-])([O-])=O; CC(C)(COP(=O)([O-])OP(=O)
    ([O-])OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=
    O)([O-])[O-])C(C(=O)NCCC(=O)NCCSC(=O)CC(
    C)(CC(=O)[O-])O)O    		 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A;
    (S)-HMG-COA
    23425 HMH
    CHEMBL1233354
    DB02022
    ZINC000000895559    		 18 C6 H9 N3 O InChI=1S/C6H9N3O/c1-4-8-2
    -5(3-10)6(7)9-4/h2,10H,3H
    2,1H3,(H2,7,8,9);
    VUTBELPREDJDDH-UHFFFAOYSA-N    		 n1c(N)c(cnc1C)CO; Cc1ncc(c(n1)N)CO; Cc1n
    cc(CO)c(N)n1    		 4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE
    23426 HMI
    DB02326
    ZINC000003870806    		 0 C7 H13 N O4 InChI=1S/C7H13NO4/c1-4(2)
    3-5(7(10)11)6(9)8-12/h4-5
    ,12H,3H2,1-2H3,(H,8,9)(H,
    10,11)/t5-/m1/s1;
    CINIOMOBGSHXRK-RXMQYKEDSA-N    		 CC(C)CC(C(=O)NO)C(=O)O; CC(C)C[C@@H](C(O
    )=O)C(=O)NO; CC(C)C[C@H](C(=O)NO)C(=O)O;
    CC(C)C[CH](C(O)=O)C(=O)NO; O=C(NO)C(C(=
    O)O)CC(C)C    		 2-HYDROXYCARBAMOYL-4-METHYL-PENTANOIC ACID
    23427 HMJ 0 C16 H17 N O2 InChI=1S/C16H17NO2/c1-17(
    2)9-10-18-12-7-8-16-14(11
    -12)13-5-3-4-6-15(13)19-1
    6/h3-8,11H,9-10H2,1-2H3;
    GQEGJXFTHBKSKR-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2c(c1)c3ccccc3o2; c1c(OCCN(
    C)C)ccc3c1c2c(cccc2)o3; CN(C)CCOc1ccc2oc
    3ccccc3c2c1    		 2-[(dibenzo[b,d]furan-2-yl)oxy]-N,N-dimethylethan-1-amine
    23428 HMK
    ZINC000013509134    		 1 C16 H12 O6 InChI=1S/C16H12O6/c17-8-1
    -2-9-11(3-8)19-6-16(18)10
    -4-13-14(21-7-20-13)5-12(
    10)22-15(9)16/h1-5,15,17-
    18H,6-7H2/t15-,16+/m1/s1;
    GLMPLZUBQDAZEN-CVEARBPZSA-N    		 O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4; c1
    cc2c(cc1O)OCC3(C2Oc4c3cc5c(c4)OCO5)O; c1
    cc2c(cc1O)OC[C@]3([C@@H]2Oc4c3cc5c(c4)OC
    O5)O; Oc1ccc2[CH]3Oc4cc5OCOc5cc4[C]3(O)C
    Oc2c1; Oc1ccc2[C@H]3Oc4cc5OCOc5cc4[C@@]3
    (O)COc2c1    		 (6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL
    23429 HML
    CHEMBL5200419
    ZINC000098214010    		 1 C12 H9 F3 N2 O2 InChI=1S/C12H9F3N2O2/c13-
    12(14,15)9-3-1-8(2-4-9)7-
    17-6-5-16-10(17)11(18)19/
    h1-6H,7H2,(H,18,19);
    ZFSDMZSXZJAZHR-UHFFFAOYSA-N    		 c1cc(ccc1Cn2ccnc2C(=O)O)C(F)(F)F; OC(=O)
    c1nccn1Cc2ccc(cc2)C(F)(F)F    		 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid
    23430 HMM 0 C8 H11 N3 O3 InChI=1S/C8H11N3O3/c1-9-7
    (13)10-4-2-3-6(5-12)11(10
    )8(9)14/h2-3,6,12H,4-5H2,
    1H3/t6-/m0/s1;
    YXLVIORYJGPOCZ-LURJTMIESA-N    		 O=C1N(C(=O)N2N1C(C=CC2)CO)C; CN1C(=O)N2C
    C=C[C@H](N2C1=O)CO; CN1C(=O)N2CC=CC(N2C1
    =O)CO; CN1C(=O)N2CC=C[C@@H](CO)N2C1=O; C
    N1C(=O)N2CC=C[CH](CO)N2C1=O    		 5-HYDROXYMETHYL-2-METHYL-5,8-DIHYDRO-[1,2,4]TRIAZOLO[1,2-A]PYRIDAZINE-1,3-DIONE
    23431 HMN
    CHEMBL487061
    ZINC000005884174    		 4 C11 H21 N O9 InChI=1S/C11H21NO9/c1-4(1
    4)12-8(5(15)2-6(16)11(20)
    21)10(19)9(18)7(17)3-13/h
    5-10,13,15-19H,2-3H2,1H3,
    (H,12,14)(H,20,21)/t5-,6+
    ,7+,8+,9+,10+/m0/s1;
    REORMAHRVILHOU-IHICSVBISA-N    		 CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O;
    O=C(O)C(O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO
    ; CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH]
    (O)[CH](O)[CH](O)CO; CC(=O)N[C@H]([C@H](
    C[C@H](C(=O)O)O)O)[C@H]([C@@H]([C@@H](CO
    )O)O)O; CC(=O)N[C@H]([C@@H](O)C[C@@H](O)
    C(O)=O)[C@@H](O)[C@H](O)[C@H](O)CO    		 2,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDO NONANOIC ACID
    23432 HMO
    CHEMBL453280
    DB04202
    ZINC000000968077    		 1 C16 H12 O4 InChI=1S/C16H12O4/c1-19-1
    2-6-7-13-15(8-12)20-9-14(
    16(13)18)10-2-4-11(17)5-3
    -10/h2-9,17H,1H3;
    LNIQZRIHAMVRJA-UHFFFAOYSA-N    		 COc1ccc2C(=O)C(=COc2c1)c3ccc(O)cc3; COc1
    ccc2c(c1)OC=C(C2=O)c3ccc(cc3)O; O=C1c3c(
    OC=C1c2ccc(O)cc2)cc(OC)cc3    		 4'-HYDROXY-7-METHOXYISOFLAVONE;
    ISOFORMONONETIN
    23433 HMP 0 C7 H13 N O4 InChI=1/C7H13NO4/c1-4(2)3
    -5(7(10)11)6(9)8-12/h4-5,
    12H,3H2,1-2H3,(H,8,9)(H,1
    0,11)/t5-/m1/s1/f/h8,10H;
    CINIOMOBGSHXRK-QZDMVKEYDK    		 CC(C)CC(C(=O)NO)C(=O)O; CC(C)C[C@@H](C(O
    )=O)C(=O)NO; CC(C)C[C@H](C(=O)NO)C(=O)O;
    CC(C)C[CH](C(O)=O)C(=O)NO; O=C(NO)C(C(=
    O)O)CC(C)C    		 1-HYDROXYAMINE-2-ISOBUTYLMALONIC ACID
    23434 HMQ
    ZINC000095921373    		 2 C8 H8 O6 InChI=1S/C8H8O6/c9-6-1-2-
    8(12,14-13)5(3-6)4-7(10)1
    1/h1-3,12-13H,4H2,(H,10,1
    1)/t8-/m1/s1;
    WRLJTDRVSAMRQB-MRVPVSSYSA-N    		 OO[C]1(O)C=CC(=O)C=C1CC(O)=O; OO[C@]1(O)
    C=CC(=O)C=C1CC(O)=O; C1=C[C@@](C(=CC1=O)
    CC(=O)O)(O)OO; C1=CC(C(=CC1=O)CC(=O)O)(O
    )OO; O=C(O)CC1=CC(=O)C=CC1(O)OO    		 2-[(6R)-6-(dioxidanyl)-6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl]ethanoic acid
    23435 HMR 0 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c8-5(4
    -6(12)13)2-1-3-11-7(9)10/
    h5H,1-4,8H2,(H,12,13)(H4,
    9,10,11)/t5-/m0/s1;
    VNWXCGKMEWXYBP-YFKPBYRVSA-N    		 C(C[C@@H](CC(=O)O)N)CNC(=N)N; O=C(O)CC(N
    )CCCNC(=[N@H])N; N[CH](CCCNC(N)=N)CC(O)=
    O; C(CC(CC(=O)O)N)CNC(=N)N; N[C@@H](CCCN
    C(N)=N)CC(O)=O    		 BETA-HOMOARGININE
    23436 HMS
    CHEMBL1233359    		 1 C5 H11 O8 P InChI=1S/C5H11O8P/c6-1-3(
    7)5(9)4(8)2-13-14(10,11)1
    2/h4-6,8-9H,1-2H2,(H2,10,
    11,12)/t4-,5+/m0/s1;
    FNZLKVNUWIIPSJ-CRCLSJGQSA-N    		 C([C@@H]([C@@H](C(=O)CO)O)O)OP(=O)(O)O;
    C(C(C(C(=O)CO)O)O)OP(=O)(O)O; OCC(=O)[CH
    ](O)[CH](O)CO[P](O)(O)=O; O=P(O)(O)OCC(O
    )C(O)C(=O)CO; OCC(=O)[C@@H](O)[C@@H](O)C
    O[P](O)(O)=O    		 5-O-phosphono-L-ribulose
    23437 HMT
    CHEMBL46286
    DB04865
    ZINC000026011099    		 2 C29 H39 N O9 InChI=1S/C29H39NO9/c1-27(
    2,33)8-5-10-29(34,16-23(3
    1)36-4)26(32)39-25-22(35-
    3)15-28-9-6-11-30(28)12-7
    -18-13-20-21(38-17-37-20)
    14-19(18)24(25)28/h13-15,
    24-25,33-34H,5-12,16-17H2
    ,1-4H3/t24-,25-,28+,29-/m
    1/s1;
    HYFHYPWGAURHIV-JFIAXGOJSA-N    		 CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2c3cc4c(cc
    3CCN5C2(CCC5)C=C1OC)OCO4)O)O; O=C(OC)CC(
    O)(C(=O)OC5C(OC)=CC41N(CCC1)CCc3c(cc2OCO
    c2c3)C45)CCCC(O)(C)C; CC(C)(CCC[C@@](CC(
    =O)OC)(C(=O)O[C@H]1[C@H]2c3cc4c(cc3CC[N@
    @]5[C@@]2(CCC5)C=C1OC)OCO4)O)O; COC(=O)C
    [C](O)(CCCC(C)(C)O)C(=O)O[CH]1[CH]2c3cc4
    OCOc4cc3CCN5CCC[C]25C=C1OC; COC(=O)C[C@]
    (O)(CCCC(C)(C)O)C(=O)O[C@H]1[C@H]2c3cc4O
    COc4cc3CCN5CCC[C@]25C=C1OC    		 (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine;
    Homoharringtonine;
    Cephalotaxine;
    [3(R)]-4-methyl 2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
    23438 HMU
    CHEMBL1233360
    ZINC000000114121    		 7 C5 H6 N2 O3 InChI=1S/C5H6N2O3/c8-2-3-
    1-6-5(10)7-4(3)9/h1,8H,2H
    2,(H2,6,7,9,10);
    JDBGXEHEIRGOBU-UHFFFAOYSA-N    		 C1=C(C(=O)NC(=O)N1)CO; O=C1C(=CNC(=O)N1)
    CO; OCC1=CNC(=O)NC1=O    		 5-HYDROXYMETHYL URACIL;
    5-(HYDROXYMETHYL)PYRIMIDINE-2,4(1H,3H)-DIONE
    23439 HMV 0 C16 H18 N2 O InChI=1S/C16H18N2O/c1-18(
    2)9-10-19-12-7-8-16-14(11
    -12)13-5-3-4-6-15(13)17-1
    6/h3-8,11,17H,9-10H2,1-2H
    3;
    IIXIJWXGDDCXBA-UHFFFAOYSA-N    		 CN(C)CCOc1ccc2c(c1)c3ccccc3[nH]2; c1c(cc
    c3c1c2ccccc2n3)OCCN(C)C; CN(C)CCOc1ccc2[
    nH]c3ccccc3c2c1    		 2-[(9H-carbazol-3-yl)oxy]-N,N-dimethylethan-1-amine
    23440 HMW 1 C25 H23 F3 N8 O2 InChI=1S/C25H23F3N8O2/c1-
    15-5-6-16(21(38)30-18-4-2
    -3-17(12-18)25(26,27)28)1
    1-20(15)31-22-32-23(35-9-
    7-19(37)13-35)34-24(33-22
    )36-10-8-29-14-36/h2-6,8,
    10-12,14,19,37H,7,9,13H2,
    1H3,(H,30,38)(H,31,32,33,
    34)/t19-/m1/s1;
    IOGRLXUUAIVKHX-LJQANCHMSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)n3ccnc3)N4CC[C@@H]
    (O)C4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(c
    c1Nc2nc(nc(n2)N3CC[C@H](C3)O)n4ccnc4)C(=
    O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(n
    c(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(
    c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n2)N3CCC
    (C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F    		 3-[[4-imidazol-1-yl-6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23441 HMX
    CHEMBL501701
    ZINC000003871091    		 2 C12 H18 Cl N7 O InChI=1S/C12H18ClN7O/c13-
    8-10(20-5-3-1-2-4-6-20)18
    -9(14)7(17-8)11(21)19-12(
    15)16/h1-6H2,(H2,14,18)(H
    4,15,16,19,21);
    RQQJJXVETXFINY-UHFFFAOYSA-N    		 NC(N)=NC(=O)c1nc(Cl)c(nc1N)N2CCCCCC2; C1
    CCCN(CC1)c2c(nc(c(n2)N)C(=O)N=C(N)N)Cl    		 3-azanyl-5-(azepan-1-yl)-N-[bis(azanyl)methylidene]-6-chloranyl-pyrazine-2-carboxamide;
    HMA
    23442 HMY
    ZINC000253667891    		 2 C19 H22 O8 InChI=1S/C19H22O8/c1-9-4-
    3-5-12(20)17(23)14(22)8-1
    5-18(27-15)11-6-10(25-2)7
    -13(21)16(11)19(24)26-9/h
    3,5-7,9,14-15,17-18,21-23
    H,4,8H2,1-2H3/t9-,14-,15+
    ,17+,18+/m0/s1;
    SSNQAUBBJYCSMY-LWQPPDATSA-N    		 COc1cc(O)c2C(=O)O[C@@H](C)C\C=C/C(=O)[C@
    @H](O)[C@@H](O)C[C@H]3O[C@@H]3c2c1; CC1C
    C=CC(=O)C(C(CC2C(O2)c3cc(cc(c3C(=O)O1)O)
    OC)O)O; C[C@H]1CC=CC(=O)[C@H]([C@H](C[C@
    @H]2[C@H](O2)c3cc(cc(c3C(=O)O1)O)OC)O)O;
    O=C3C=CCC(OC(=O)c1c(cc(OC)cc1O)C2OC2CC(
    O)C3O)C; COc1cc(O)c2C(=O)O[CH](C)CC=CC(=
    O)[CH](O)[CH](O)C[CH]3O[CH]3c2c1    		 (1aR,8S,13S,14S,15aR)-5,13,14-trihydroxy-3-methoxy-8-methyl-8,9,13,14,15,15a-hexahydro-6H-oxireno[k][2]benzoxacyclotetradecine-6,12(1aH)-dione;
    Hypothemycin
    23443 HMZ
    ZINC000001713897    		 2 C11 H12 O5 InChI=1S/C11H12O5/c1-16-7
    -2-3-8(10(13)6-7)9(12)4-5
    -11(14)15/h2-3,6,13H,4-5H
    2,1H3,(H,14,15);
    MMMHZBODZRNHIN-UHFFFAOYSA-N    		 O=C(c1ccc(OC)cc1O)CCC(=O)O; COc1ccc(C(=O
    )CCC(O)=O)c(O)c1; COc1ccc(c(c1)O)C(=O)CC
    C(=O)O    		 4-(2-hydroxy-4-methoxyphenyl)-4-oxobutanoic acid
    23444 HN0
    ZINC000098209000    		 0 C19 H30 N5 O9 P InChI=1S/C19H30N5O9P/c1-2
    -3-4-5-12-10(6-15(26)33-1
    2)21-19-22-17-16(18(27)23
    -19)20-9-24(17)14-7-11(25
    )13(32-14)8-31-34(28,29)3
    0/h9-15,25-26H,2-8H2,1H3,
    (H2,28,29,30)(H2,21,22,23
    ,27)/t10-,11-,12-,13+,14+
    ,15+/m0/s1;
    ITRPVFNWIAAYPZ-PKCACUDHSA-N    		 O=P(O)(O)OCC4OC(n1c2N=C(NC(=O)c2nc1)NC3C
    (OC(O)C3)CCCCC)CC4O; CCCCC[C@H]1[C@H](C[
    C@@H](O1)O)NC2=Nc3c(ncn3[C@H]4C[C@@H]([C
    @H](O4)COP(=O)(O)O)O)C(=O)N2; CCCCCC1C(C
    C(O1)O)NC2=Nc3c(ncn3C4CC(C(O4)COP(=O)(O)
    O)O)C(=O)N2; CCCCC[CH]1O[CH](O)C[CH]1NC2
    =Nc3n(cnc3C(=O)N2)[CH]4C[CH](O)[CH](CO[P
    ](O)(O)=O)O4; CCCCC[C@@H]1O[C@@H](O)C[C@
    @H]1NC2=Nc3n(cnc3C(=O)N2)[C@H]4C[C@H](O)
    [C@@H](CO[P](O)(O)=O)O4    		 2'-deoxy-N-[(2S,3S,5R)-5-hydroxy-2-pentyltetrahydrofuran-3-yl]guanosine 5'-(dihydrogen phosphate)
    23445 HN1
    ZINC000098209001    		 0 C19 H30 N5 O9 P InChI=1S/C19H30N5O9P/c1-2
    -3-4-5-11(25)10-6-14(27)2
    4-18(28)16-17(22-19(24)21
    -10)23(9-20-16)15-7-12(26
    )13(33-15)8-32-34(29,30)3
    1/h9-15,25-27H,2-8H2,1H3,
    (H,21,22)(H2,29,30,31)/t1
    0-,11-,12-,13+,14+,15+/m0
    /s1;
    OOIOCUIVTIOESO-PKCACUDHSA-N    		 CCCCCC(C1CC(N2C(=O)c3c(n(cn3)C4CC(C(O4)C
    OP(=O)(O)O)O)NC2=N1)O)O; CCCCC[CH](O)[CH
    ]1C[CH](O)N2C(=O)c3ncn([CH]4C[CH](O)[CH]
    (CO[P](O)(O)=O)O4)c3NC2=N1; CCCCC[C@H](O
    )[C@@H]1C[C@@H](O)N2C(=O)c3ncn([C@H]4C[C
    @H](O)[C@@H](CO[P](O)(O)=O)O4)c3NC2=N1;
    CCCCC[C@@H]([C@@H]1C[C@H](N2C(=O)c3c(n(c
    n3)[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)O)O)
    NC2=N1)O)O; O=P(O)(O)OCC4OC(n1cnc3c1NC2=
    NC(C(O)CCCCC)CC(O)N2C3=O)CC4O    		 (6S,8R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-6-[(1S)-1-hydroxyhexyl]-4,6,7,8-tetrahydropyrimido[1,2-a]purin-10(3H)-one
    23446 HN2
    ZINC000058633012    		 1 C16 H21 N O4 InChI=1S/C16H21NO4/c18-12
    -7-6-11(17-9-14(20)16(21)
    15(12)17)8-13(19)10-4-2-1
    -3-5-10/h1-5,11-12,14-16,
    18,20-21H,6-9H2/t11-,12-,
    14-,15-,16-/m1/s1;
    HEBIMHSFXQMUTK-CCECPURYSA-N    		 c1ccc(cc1)C(=O)C[C@H]2CC[C@H]([C@H]3[N@]
    2C[C@H]([C@H]3O)O)O; O[C@@H]1CC[C@H](CC(
    =O)c2ccccc2)N3C[C@@H](O)[C@@H](O)[C@@H]1
    3; c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O;
    O[CH]1CC[CH](CC(=O)c2ccccc2)N3C[CH](O)[
    CH](O)[CH]13; O=C(c1ccccc1)CC2N3C(C(O)CC
    2)C(O)C(O)C3    		 1-phenyl-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(phenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23447 HN3
    ZINC000036422168    		 1 C17 H23 N O4 InChI=1S/C17H23NO4/c1-10-
    2-4-11(5-3-10)14(20)8-12-
    6-7-13(19)16-17(22)15(21)
    9-18(12)16/h2-5,12-13,15-
    17,19,21-22H,6-9H2,1H3/t1
    2-,13-,15-,16-,17-/m1/s1;
    APAFVLSHHZZYGV-PVTMVUMOSA-N    		 Cc1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[CH]
    (O)[CH](O)CN23; Cc1ccc(cc1)C(=O)C[C@H]2C
    C[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O; O=
    C(c1ccc(cc1)C)CC2N3C(C(O)CC2)C(O)C(O)C3;
    Cc1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O)O)O;
    Cc1ccc(cc1)C(=O)C[C@H]2CC[C@@H](O)[C@@H]
    3[C@H](O)[C@H](O)CN23    		 1-(4-methylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-methylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23448 HN4
    ZINC000058660318    		 1 C20 H29 N O4 InChI=1S/C20H29NO4/c1-20(
    2,3)13-6-4-12(5-7-13)16(2
    3)10-14-8-9-15(22)18-19(2
    5)17(24)11-21(14)18/h4-7,
    14-15,17-19,22,24-25H,8-1
    1H2,1-3H3/t14-,15-,17-,18
    -,19-/m1/s1;
    PKZGDTMZYSPKOW-POGZOPGASA-N    		 O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(
    O)C(O)C3; CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(
    C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C(=O)C
    [C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)
    O)O; CC(C)(C)c1ccc(cc1)C(=O)C[C@H]2CC[C@
    @H](O)[C@@H]3[C@H](O)[C@H](O)CN23; CC(C)
    (C)c1ccc(cc1)C(=O)C[CH]2CC[CH](O)[CH]3[C
    H](O)[CH](O)CN23    		 1-(4-tert-butylphenyl)-2-[(1S,2R,5R,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5R,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23449 HN5
    ZINC000058660324    		 1 C20 H31 N O3 InChI=1S/C20H31NO3/c1-20(
    2,3)14-7-4-13(5-8-14)6-9-
    15-10-11-16(22)18-19(24)1
    7(23)12-21(15)18/h4-5,7-8
    ,15-19,22-24H,6,9-12H2,1-
    3H3/t15-,16+,17+,18+,19+/
    m0/s1;
    QXPSLCODOUKVQZ-UURKPOQGSA-N    		 CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](
    O)[CH](O)CN23)cc1; CC(C)(C)c1ccc(cc1)CCC
    2CCC(C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C
    C[C@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O
    )O)O; CC(C)(C)c1ccc(CC[C@H]2CC[C@@H](O)[
    C@@H]3[C@H](O)[C@H](O)CN23)cc1; OC1CCC(N
    2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C    		 (1S,2R,5S,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol;
    (1S,2R,5S,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23450 HN6
    ZINC000058633017    		 1 C20 H31 N O3 InChI=1S/C20H31NO3/c1-20(
    2,3)14-7-4-13(5-8-14)6-9-
    15-10-11-16(22)18-19(24)1
    7(23)12-21(15)18/h4-5,7-8
    ,15-19,22-24H,6,9-12H2,1-
    3H3/t15-,16-,17-,18-,19-/
    m1/s1;
    QXPSLCODOUKVQZ-FVVUREQNSA-N    		 CC(C)(C)c1ccc(CC[CH]2CC[CH](O)[CH]3[CH](
    O)[CH](O)CN23)cc1; CC(C)(C)c1ccc(cc1)CCC
    2CCC(C3N2CC(C3O)O)O; CC(C)(C)c1ccc(cc1)C
    C[C@@H]2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3
    O)O)O; CC(C)(C)c1ccc(CC[C@@H]2CC[C@@H](O
    )[C@@H]3[C@H](O)[C@H](O)CN23)cc1; OC1CCC
    (N2C1C(O)C(O)C2)CCc3ccc(cc3)C(C)(C)C    		 (1S,2R,5R,8R,8aR)-5-[2-(4-tert-butylphenyl)ethyl]octahydroindolizine-1,2,8-triol;
    (1S,2R,5R,8R,8aR)-5-[2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23451 HN7
    ZINC000038317951    		 1 C20 H29 N O4 InChI=1S/C20H29NO4/c1-20(
    2,3)13-6-4-12(5-7-13)16(2
    3)10-14-8-9-15(22)18-19(2
    5)17(24)11-21(14)18/h4-7,
    14-15,17-19,22,24-25H,8-1
    1H2,1-3H3/t14-,15+,17+,18
    +,19+/m0/s1;
    PKZGDTMZYSPKOW-ZPKKHLQPSA-N    		 O=C(c1ccc(cc1)C(C)(C)C)CC2N3C(C(O)CC2)C(
    O)C(O)C3; CC(C)(C)c1ccc(cc1)C(=O)C[C@@H]
    2CC[C@H]([C@H]3[N@]2C[C@H]([C@H]3O)O)O;
    CC(C)(C)c1ccc(cc1)C(=O)CC2CCC(C3N2CC(C3O
    )O)O; CC(C)(C)c1ccc(cc1)C(=O)C[CH]2CC[CH
    ](O)[CH]3[CH](O)[CH](O)CN23; CC(C)(C)c1c
    cc(cc1)C(=O)C[C@@H]2CC[C@@H](O)[C@@H]3[C
    @H](O)[C@H](O)CN23    		 1-(4-tert-butylphenyl)-2-[(1S,2R,5S,8R,8aR)-1,2,8-trihydroxyoctahydroindolizin-5-yl]ethanone;
    (1S,2R,5S,8R,8aR)-5-[2'-oxo-2'-(4-tert-butylphenyl)ethyl]-1,2,8-trihydroxy-indolizidine
    23452 HN8
    CHEMBL401114
    ZINC000002004156    		 0 C17 H19 N O4 InChI=1S/C17H19NO4/c1-20-
    11-2-3-17-12-6-14-13(21-9
    -22-14)4-10(12)7-18(8-16(
    17)19)15(17)5-11/h2-4,6,1
    1,15-16,19H,5,7-9H2,1H3/t
    11-,15+,16+,17+/m1/s1;
    YGPRSGKVLATIHT-HSHDSVGOSA-N    		 COC1CC2C3(C=C1)c4cc5c(cc4CN2CC3O)OCO5; C
    O[C@H]1C[C@@H]2[N@@]3C[C@H](O)[C@@]2(C=C
    1)c4cc5OCOc5cc4C3; CO[C@H]1C[C@H]2[C@]3(
    C=C1)c4cc5c(cc4CN2C[C@@H]3O)OCO5; CO[CH]
    1C[CH]2[N]3C[CH](O)[C]2(C=C1)c4cc5OCOc5c
    c4C3    		 Haemanthamine;
    Haemanthamin;
    Natalensin;
    3-Epicrinamine
    23453 HN9
    CHEMBL165087
    ZINC000027873512    		 4 C11 H10 N2 O3 InChI=1S/C11H10N2O3/c14-9
    -3-1-8(2-4-9)7-13-6-5-12-
    10(13)11(15)16/h1-6,14H,7
    H2,(H,15,16);
    LLGCUNZOZLGRNP-UHFFFAOYSA-N    		 c1cc(ccc1Cn2ccnc2C(=O)O)O; Oc1ccc(Cn2ccn
    c2C(O)=O)cc1    		 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid
    23454 HNA
    CHEMBL574060
    DB03035
    ZINC000035283738    		 1 C14 H7 N O6 InChI=1S/C14H7NO6/c16-8-3
    -1-2-6-10(8)14(19)12-9(17
    )5-4-7(15(20)21)11(12)13(
    6)18/h1-5,16-17H;
    RIYCICFDXLNQPV-UHFFFAOYSA-N    		 [O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(
    =O)c23; Oc1cccc2C(=O)c3c(ccc(O)c3C(=O)c1
    2)[N+]([O-])=O; c1cc2c(c(c1)O)C(=O)c3c(c
    cc(c3C2=O)[N+](=O)[O-])O    		 1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE
    23455 HNB 0 C9 H18 O2 InChI=1S/C9H18O2/c1-2-3-4
    -5-8-6-7-9(10)11-8/h8-10H
    ,2-7H2,1H3/t8-,9+/m1/s1;
    FAPYUVKMJWJMEH-BDAKNGLRSA-N    		 CCCCCC1CCC(O1)O; OC1OC(CCCCC)CC1; CCCCC[
    C@@H]1CC[C@H](O1)O; CCCCC[CH]1CC[CH](O)O
    1; CCCCC[C@@H]1CC[C@@H](O)O1    		 (2S,5R)-5-pentyltetrahydrofuran-2-ol
    23456 HNC
    ZINC000058638573    		 0 C12 H23 N O4 S InChI=1S/C12H23NO4S/c1-2-
    3-4-5-10(15)11(6-7-14)18-
    8-9(13)12(16)17/h7,9-11,1
    5H,2-6,8,13H2,1H3,(H,16,1
    7)/t9-,10+,11-/m0/s1;
    SALPDUSHMTYYOH-AXFHLTTASA-N    		 CCCCCC(C(CC=O)SCC(C(=O)O)N)O; CCCCC[CH](
    O)[CH](CC=O)SC[CH](N)C(O)=O; CCCCC[C@@H]
    (O)[C@H](CC=O)SC[C@H](N)C(O)=O; O=C(O)C(
    N)CSC(C(O)CCCCC)CC=O; CCCCC[C@H]([C@H](C
    C=O)SC[C@@H](C(=O)O)N)O    		 S-[(1S,2R)-2-hydroxy-1-(2-oxoethyl)heptyl]-L-cysteine;
    Cysteine covalently modified with 4-hydroxy-2-nonenal
    23457 HND
    ZINC000038522806    		 0 C9 H20 O2 InChI=1S/C9H20O2/c1-2-3-4
    -6-9(11)7-5-8-10/h9-11H,2
    -8H2,1H3/t9-/m0/s1;
    BBKPDHOKNRMWQN-VIFPVBQESA-N    		 CCCCC[CH](O)CCCO; OCCCC(O)CCCCC; CCCCCC(
    CCCO)O; CCCCC[C@@H](CCCO)O; CCCCC[C@H](O
    )CCCO    		 (4S)-nonane-1,4-diol
    23458 HNE
    ZINC000002020117    		 2 C9 H16 O2 InChI=1S/C9H16O2/c1-2-3-4
    -6-9(11)7-5-8-10/h5,7-9,1
    1H,2-4,6H2,1H3/b7-5+/t9-/
    m1/s1;
    JVJFIQYAHPMBBX-VPIOIWJLSA-N    		 CCCCCC(C=CC=O)O; O=C/C=C/C(O)CCCCC; CCCC
    C[C@H](C=CC=O)O; CCCCC[CH](O)C=CC=O; CCC
    CC[C@@H](O)/C=C/C=O    		 (2E,4R)-4-HYDROXYNON-2-ENAL
    23459 HNF
    CHEMBL165314
    ZINC000001687565    		 0 C13 H9 N O3 InChI=1S/C13H9NO3/c15-11-
    2-4-13-9(7-11)5-8-6-10(14
    (16)17)1-3-12(8)13/h1-4,6
    -7,15H,5H2;
    VFTOHJFKIJLYKN-UHFFFAOYSA-N    		 Oc1ccc2c(Cc3cc(ccc23)[N+]([O-])=O)c1; c1
    cc-2c(cc1[N+](=O)[O-])Cc3c2ccc(c3)O    		 7-nitro-9H-fluoren-2-ol;
    2-hydroxy-7-nitrofluorene
    23460 HNG
    CHEMBL1235432
    DB03304
    ZINC000003869370    		 0 C7 H9 N5 O InChI=1S/C7H9N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,1,8H2,(H4,9,10,11,1
    2,13);
    MEYMBLGOKYDGLZ-UHFFFAOYSA-N    		 NCc1c[nH]c2NC(=NC(=O)c12)N; c1c(c2c([nH]
    1)NC(=NC2=O)N)CN; N2=C(Nc1ncc(c1C2=O)CN)
    N    		 2-amino-5-(aminomethyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one;
    PreQ1
    23461 HNH
    ZINC000103545014    		 1 C10 H12 N2 O InChI=1S/C10H12N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h3-5,7H,2,6H2,1H3,(H
    ,11,13);
    LWGKCPAYDQWMMS-UHFFFAOYSA-N    		 n2cc(C1=CCCN1C)ccc2O; CN1CCC=C1c2ccc(O)n
    c2; CN1CCC=C1c2ccc(nc2)O    		 5-(1-methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2-ol;
    6-hydroxy-N-Methyl-myosmine
    23462 HNI 92 C34 H32 N4 Ni O4 InChI=1S/C34H34N4O4.Ni/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h7-8,13-16H,1-2,9-
    12H2,3-6H3,(H4,35,36,37,3
    8,39,40,41,42);/q;+2/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    IJROJBFZULUEEG-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Ni]
    36[N]7=C(C=C8N6C(=C5)C(=C8C=C)C)C(=C(C7=
    C2)C=C)C)C)CCC(=O)O; CC1=C(CCC(O)=O)C2=C
    c3n4[Ni][N]5C(=CC1=N2)C(=C(C=C)C5=CC6=NC
    (=Cc4c(C)c3CCC(O)=O)C(=C6C)C=C)C; CC1=C(
    CCC(O)=O)C2=Cc3n4[Ni][N@]5C(=CC1=N2)C(=C
    (C=C)C5=CC6=NC(=Cc4c(C)c3CCC(O)=O)C(=C6C
    )C=C)C    		 PROTOPORPHYRIN IX CONTAINING NI(II)
    23463 HNJ
    ZINC000005269294    		 1 C17 H17 N3 O2 S InChI=1S/C17H17N3O2S/c21-
    23(22)16-10-4-1-7-13(16)1
    7(19-23)18-14-8-2-3-9-15(
    14)20-11-5-6-12-20/h1-4,7
    -10H,5-6,11-12H2,(H,18,19
    );
    LONXCUOJVJLTIP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccc3N4CCCC4
    ; C1CN(CC1)c2c(cccc2)NC=4c3c(cccc3)S(=O)
    (=O)N=4; O=[S]1(=O)N=C(Nc2ccccc2N3CCCC3)
    c4ccccc14    		 3-{[2-(pyrrolidin-1-yl)phenyl]amino}-1H-1lambda~6~,2-benzothiazole-1,1-dione;
    (3-Chloro-Phenyl)-acetic acid (S)-1-(2-tert-butoxycarbonylamino-acetyl)-pyrrolidin-2-ylmethyl ester
    23464 HNK
    ZINC000008622520    		 3 C10 H14 N2 O InChI=1S/C10H14N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h4-5,7,9H,2-3,6H2,1H
    3,(H,11,13)/t9-/m1/s1;
    ATRCOGLZUCICIV-SECBINFHSA-N    		 CN1CCCC1c2ccc(nc2)O; CN1CCC[C@@H]1c2ccc(
    O)nc2; CN1CCC[CH]1c2ccc(O)nc2; C[N@]1CCC
    [C@@H]1c2ccc(nc2)O; n1cc(ccc1O)C2N(C)CCC
    2    		 5-[(2R)-1-methylpyrrolidin-2-yl]pyridin-2-ol;
    6-hydroxy-D-nicotine
    23465 HNL
    ZINC000008576195    		 6 C10 H14 N2 O InChI=1S/C10H14N2O/c1-12-
    6-2-3-9(12)8-4-5-10(13)11
    -7-8/h4-5,7,9H,2-3,6H2,1H
    3,(H,11,13)/t9-/m0/s1;
    ATRCOGLZUCICIV-VIFPVBQESA-N    		 CN1CCCC1c2ccc(nc2)O; CN1CCC[CH]1c2ccc(O)
    nc2; CN1CCC[C@H]1c2ccc(O)nc2; C[N@@]1CCC
    [C@H]1c2ccc(nc2)O; n1cc(ccc1O)C2N(C)CCC2    		 5-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-ol;
    6-hydroxy-L-nicotine
    23466 HNM
    ZINC000008576216    		 3 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c1-11
    -6-2-3-9(13)8-4-5-10(14)1
    2-7-8/h4-5,7,11H,2-3,6H2,
    1H3,(H,12,14);
    UMLOUOBDBGOHHR-UHFFFAOYSA-N    		 CNCCCC(=O)c1ccc(O)nc1; CNCCCC(=O)c1ccc(n
    c1)O; O=C(c1cnc(O)cc1)CCCNC    		 1-(6-hydroxypyridin-3-yl)-4-(methylamino)butan-1-one
    23467 HNN 8 C34 H36 Mn N4 O4 InChI=1S/C34H38N4O4.Mn/c1
    -7-21-19(5)31-32-20(6)22(
    8-2)28(38-32)14-12-26-18(
    4)24(10-16-30(41)42)34(36
    -26)33-23(9-15-29(39)40)1
    7(3)25(35-33)11-13-27(21)
    37-31;/h11-14H,7-10,15-16
    H2,1-6H3,(H4,35,36,37,38,
    39,40,41,42);/q;+4/p-2/b1
    3-11-,14-12-,25-11-,26-12
    -,27-13-,28-14-,32-31-,34
    -33-;;
    YIZMGGNKFAWJJG-BWTHIWHLSA-L    		 O=C(O)CCC=7C1=C3C(=C(C=2C=Cc6c(c(c5C8=[N
    +]4C(=CC=C(N1[Mn]4([N+]=23)n56)C=7C)C(=C
    8C)CC)C)CC)C)CCC(=O)O; CCc1c(C)c2n3c1C=C
    C4=[N@+]5C(=C6[N@]7C(=CC=C8C(=C(C)C2=[N@
    +]8[Mn@@]357)CC)C(=C6CCC(O)=O)C)C(=C4C)C
    CC(O)=O; CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[M
    n]47n2c1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=
    O)O)C)C(=C3C)CC)C; CCc1c(C)c2n3c1C=CC4=[
    N+]5C(=C6[N]7C(=CC=C8C(=C(C)C2=[N+]8[Mn]
    357)CC)C(=C6CCC(O)=O)C)C(=C4C)CCC(O)=O;
    CCc1c(c2c3[n+]4c(ccc5c(c(c6n5[Mn@@]47n2c
    1ccc8[n+]7c6C(=C8C)CCC(=O)O)CCC(=O)O)C)C
    (=C3C)CC)C    		 PORPHYCENE CONTAINING MN
    23468 HNO 0 C12 H13 Cl2 N3 InChI=1S/C12H13Cl2N3/c1-1
    2(2,3)17-11-6-15-9-4-7(13
    )8(14)5-10(9)16-11/h4-6H,
    1-3H3,(H,16,17);
    QYEPFRWKAAVUOP-UHFFFAOYSA-N    		 CC(C)(C)Nc1cnc2cc(Cl)c(Cl)cc2n1; CC(C)(C
    )Nc1cnc2cc(c(cc2n1)Cl)Cl    		 N-tert-butyl-6,7-bis(chloranyl)quinoxalin-2-amine
    23469 HNP 0 C7 H11 N2 O9 P InChI=1/C7H11N2O9P/c10-3-
    2(1-17-19(14,15)16)18-7(4
    (3)11)5(12)8-6(13)9-7/h2-
    4,10-11H,1H2,(H2,14,15,16
    )(H2,8,9,12,13)/t2-,3-,4-
    ,7+/m1/s1/f/h8-9,14-15H;
    HVXIMXHBUJADCC-CAELUUMSDL    		 O[CH]1[CH](O)[C]2(NC(=O)NC2=O)O[CH]1CO[P
    ](O)(O)=O; C([C@@H]1[C@H]([C@H]([C@]2(O1
    )C(=O)NC(=O)N2)O)O)OP(=O)(O)O; O[C@H]1[C
    @@H](O)[C@]2(NC(=O)NC2=O)O[C@@H]1CO[P](O
    )(O)=O; O=C2NC(=O)NC21OC(C(O)C1O)COP(=O)
    (O)O; C(C1C(C(C2(O1)C(=O)NC(=O)N2)O)O)OP
    (=O)(O)O    		 HYDANTOCIDIN-5'-MONOPHOSPHATE
    23470 HNQ
    CHEMBL1454910
    DB01422
    ZINC000015831592    		 3 C9 H6 N2 O3 InChI=1S/C9H6N2O3/c12-8-4
    -3-7(11(13)14)6-2-1-5-10-
    9(6)8/h1-5,12H;
    RJIWZDNTCBHXAL-UHFFFAOYSA-N    		 c1cc2c(ccc(c2nc1)O)[N+](=O)[O-]; [O-][N+
    ](=O)c1ccc(O)c2ncccc12; Oc1ccc(c2cccnc12
    )[N+]([O-])=O    		 5-nitroquinolin-8-ol;
    NITROXOLINE
    23471 HNR
    ZINC000014140848    		 4 C15 H20 N4 O4 S InChI=1S/C15H20N4O4S/c1-3
    -4-10-19-13(16)12(14(20)1
    7-15(19)21)18(2)24(22,23)
    11-8-6-5-7-9-11/h5-9H,3-4
    ,10,16H2,1-2H3,(H,17,20,2
    1);
    BDLSZMGNNJOQJF-UHFFFAOYSA-N    		 CCCCN1C(=C(C(=O)NC1=O)N(C)S(=O)(=O)c2ccc
    cc2)N; CCCCN1C(=O)NC(=O)C(=C1N)N(C)[S](=
    O)(=O)c2ccccc2; O=S(=O)(c1ccccc1)N(C2=C(
    N)N(C(=O)NC2=O)CCCC)C    		 N-(6-AMINO-1-BUTYL-2,4-DIOXO-1,2,3,4-TETRAHYDROPYRIMIDIN-5-YL)-N-METHYL-BENZENESULFONAMIDE
    23472 HNS
    CHEMBL4545631    		 1 C13 H11 N O4 InChI=1S/C13H11NO4/c1-7-4
    -2-3-5-8(7)9-6-10(15)12(1
    6)11(14-9)13(17)18/h2-6,1
    6H,1H3,(H,14,15)(H,17,18);
    XRLUBEBGQPTVFH-UHFFFAOYSA-N    		 O=C(O)C=1NC(=CC(C=1O)=O)c2ccccc2C; Cc1cc
    ccc1C2=CC(=O)C(=C(N2)C(O)=O)O; Cc1ccccc1
    C2=CC(=O)C(=C(N2)C(=O)O)O    		 3-hydroxy-6-(2-methylphenyl)-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    23473 HNT
    CHEMBL293700
    DB07906
    ZINC000013797973    		 3 C10 H12 N2 O3 InChI=1S/C10H12N2O3/c13-6
    -9-3-7-1-2-10(12(14)15)4-
    8(7)5-11-9/h1-2,4,9,11,13
    H,3,5-6H2/t9-/m1/s1;
    RNUCRXHRBPLYTA-SECBINFHSA-N    		 OC[CH]1Cc2ccc(cc2CN1)[N+]([O-])=O; OC[C@
    H]1Cc2ccc(cc2CN1)[N+]([O-])=O; c1cc2c(cc
    1[N+](=O)[O-])CNC(C2)CO; [O-][N+](=O)c1c
    cc2c(c1)CNC(C2)CO; c1cc2c(cc1[N+](=O)[O-
    ])CN[C@H](C2)CO    		 [(3R)-7-NITRO-1,2,3,4-TETRAHYDROISOQUINOLIN-3-YL]METHANOL;
    3(R)-HYDROXYMETHYL 7-NITRO 1,2,3,4-TETRAHYDROISOQUINOLINE
    23474 HNU 1 C10 H17 N3 O3 InChI=1S/C10H17N3O3/c1-3-
    6-12-10(16)8(13-7(2)14)4-
    5-9(11)15/h3,8H,1,4-6H2,2
    H3,(H2,11,15)(H,12,16)(H,
    13,14)/t8-/m0/s1;
    HRGCJYNJCSFORH-QMMMGPOBSA-N    		 CC(=O)N[C@@H](CCC(N)=O)C(=O)NCC=C; CC(=O
    )NC(CCC(=O)N)C(=O)NCC=C; CC(=O)N[C@@H](C
    CC(=O)N)C(=O)NCC=C; CC(=O)N[CH](CCC(N)=O
    )C(=O)NCC=C    		 (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide
    23475 HNV
    CHEMBL3092409
    ZINC000098209002    		 3 C16 H20 O7 InChI=1S/C16H20O7/c1-21-1
    1-6-4-10(5-7-11)3-2-8-22-
    16-15(20)14(19)13(18)12(9
    -17)23-16/h4-7,12-20H,8-9
    H2,1H3/t12-,13-,14+,15+,1
    6+/m1/s1;
    UYJNIDIDTZJFNU-OWYFMNJBSA-N    		 COc1ccc(cc1)C#CCO[CH]2O[CH](CO)[CH](O)[C
    H](O)[CH]2O; COc1ccc(cc1)C#CCOC2C(C(C(C(
    O2)CO)O)O)O; COc1ccc(cc1)C#CCO[C@@H]2[C@
    H]([C@H]([C@@H]([C@H](O2)CO)O)O)O; COc1c
    cc(cc1)C#CCO[C@H]2O[C@H](CO)[C@@H](O)[C@
    H](O)[C@@H]2O; C(#Cc1ccc(OC)cc1)COC2OC(C
    (O)C(O)C2O)CO    		 3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannopyranoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl alpha-D-mannoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl D-mannoside;
    3-(4-methoxyphenyl)prop-2-yn-1-yl mannoside
    23476 HNW
    CHEMBL3092402
    ZINC000098209003    		 3 C15 H18 O7 InChI=1S/C15H18O7/c16-7-1
    -2-9-3-5-10(6-4-9)21-15-1
    4(20)13(19)12(18)11(8-17)
    22-15/h3-6,11-20H,7-8H2/t
    11-,12-,13+,14+,15+/m1/s1;
    GNTPQQUJBAFHOR-MRLBHPIUSA-N    		 c1cc(ccc1C#CCO)OC2C(C(C(C(O2)CO)O)O)O; O
    CC#Cc1ccc(O[CH]2O[CH](CO)[CH](O)[CH](O)[
    CH]2O)cc1; OCC#Cc1ccc(O[C@H]2O[C@H](CO)[
    C@@H](O)[C@H](O)[C@@H]2O)cc1; O(c1ccc(C#
    CCO)cc1)C2OC(C(O)C(O)C2O)CO; c1cc(ccc1C#
    CCO)O[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)
    CO)O)O)O    		 4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside;
    D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannoside;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl D-mannoside;
    4-(3-hydroxyprop-1-yn-1-yl)phenyl mannoside
    23477 HNX 1 C22 H21 N O3 InChI=1S/C22H21NO3/c23-22
    (21(24)25)11-10-15-8-9-19
    (12-18(15)13-22)26-14-17-
    6-3-5-16-4-1-2-7-20(16)17
    /h1-9,12H,10-11,13-14,23H
    2,(H,24,25)/t22-/m0/s1;
    HRZHVSYWPDDNHF-QFIPXVFZSA-N    		 c1ccc2c(c1)cccc2COc3ccc4c(c3)CC(CC4)(C(=
    O)O)N; N[C@]1(CCc2ccc(OCc3cccc4ccccc34)c
    c2C1)C(O)=O; c1ccc2c(c1)cccc2COc3ccc4c(c
    3)C[C@@](CC4)(C(=O)O)N; N[C]1(CCc2ccc(OC
    c3cccc4ccccc34)cc2C1)C(O)=O    		 (2~{S})-2-azanyl-7-(naphthalen-1-ylmethoxy)-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    23478 HNY
    CHEMBL4539596    		 1 C14 H13 N O4 InChI=1S/C14H13NO4/c1-2-8
    -5-3-4-6-9(8)10-7-11(16)1
    3(17)12(15-10)14(18)19/h3
    -7,17H,2H2,1H3,(H,15,16)(
    H,18,19);
    ZVOTZBNDSAQIRQ-UHFFFAOYSA-N    		 CCc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O; CCc
    1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O; O=C(O)
    C=1NC(=CC(C=1O)=O)c2c(cccc2)CC    		 6-(2-ethylphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    23479 HNZ 1 C25 H24 F3 N9 O InChI=1S/C25H24F3N9O/c1-1
    6-5-6-17(21(38)31-19-4-2-
    3-18(14-19)25(26,27)28)13
    -20(16)32-22-33-23(36-10-
    7-29-8-11-36)35-24(34-22)
    37-12-9-30-15-37/h2-6,9,1
    2-15,29H,7-8,10-11H2,1H3,
    (H,31,38)(H,32,33,34,35);
    NMVJFOBGLWAPPI-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCNCC3)n4ccnc4)C
    (=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc
    (nc(n2)n3ccnc3)N4CCNCC4)C(=O)Nc5cccc(c5)
    C(F)(F)F    		 3-[(4-imidazol-1-yl-6-piperazin-1-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23480 HO 0 Ho InChI=1S/Ho;
    KJZYNXUDTRRSPN-UHFFFAOYSA-N    		 [Ho] HOLMIUM ATOM
    23481 HO0 1 C24 H23 N O3 InChI=1S/C24H23NO3/c25-24
    (23(26)27)13-12-17-10-11-
    21(14-20(17)15-24)28-16-1
    9-8-4-5-9-22(19)18-6-2-1-
    3-7-18/h1-11,14H,12-13,15
    -16,25H2,(H,26,27)/t24-/m
    0/s1;
    WYFYXQDJHCIQGH-DEOSSOPVSA-N    		 N[C@]1(CCc2ccc(OCc3ccccc3c4ccccc4)cc2C1)
    C(O)=O; N[C]1(CCc2ccc(OCc3ccccc3c4ccccc4
    )cc2C1)C(O)=O; c1ccc(cc1)c2ccccc2COc3ccc
    4c(c3)C[C@@](CC4)(C(=O)O)N; c1ccc(cc1)c2
    ccccc2COc3ccc4c(c3)CC(CC4)(C(=O)O)N    		 (2~{S})-2-azanyl-7-[(2-phenylphenyl)methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    23482 HO1
    CHEMBL4563716    		 2 C13 H9 N5 O4 InChI=1S/C13H9N5O4/c19-9-
    5-8(14-10(11(9)20)13(21)2
    2)6-2-1-3-7(4-6)12-15-17-
    18-16-12/h1-5,20H,(H,14,1
    9)(H,21,22)(H,15,16,17,18
    );
    KPXVENWWYNXYEC-UHFFFAOYSA-N    		 c1cc(cc(c1)C2=CC(=O)C(=C(N2)C(=O)O)O)c3[
    nH]nnn3; OC(=O)C=1NC(=CC(C=1O)=O)c2cccc(
    c2)c3nnnn3; OC(=O)C1=C(O)C(=O)C=C(N1)c2c
    ccc(c2)c3[nH]nnn3    		 3-hydroxy-4-oxo-6-[3-(1H-tetrazol-5-yl)phenyl]-1,4-dihydropyridine-2-carboxylic acid
    23483 HO2
    ZINC000003870588    		 1 C18 H32 O3 InChI=1S/C18H32O3/c1-2-3-
    11-14-17(19)15-12-9-7-5-4
    -6-8-10-13-16-18(20)21/h7
    ,9,12,15,17,19H,2-6,8,10-
    11,13-14,16H2,1H3,(H,20,2
    1)/b9-7+,15-12+/t17-/m0/s
    1;
    HNICUWMFWZBIFP-WHLLTAFYSA-N    		 CCCCC[C@@H](\C=C\C=C\CCCCCCCC(=O)O)O; CC
    CCC[CH](O)C=CC=CCCCCCCCC(O)=O; O=C(O)CCC
    CCCC/C=C/C=C/C(O)CCCCC; CCCCC[C@H](O)/C=
    C/C=C/CCCCCCCC(O)=O; CCCCCC(C=CC=CCCCCCC
    CC(=O)O)O    		 (9E,11E,13S)-13-hydroxyoctadeca-9,11-dienoic acid
    23484 HO3 2 Ho InChI=1S/Ho/q+3;
    SCKNFLZJSOHWIV-UHFFFAOYSA-N    		 [Ho+3] HOLMIUM (III) ATOM
    23485 HO4
    CHEMBL1814776
    ZINC000072106221    		 4 C13 H14 N4 O4 InChI=1S/C13H14N4O4/c1-2-
    6-3-17(12-8(6)11(14)15-5-
    16-12)13-10(20)9(19)7(4-1
    8)21-13/h1,3,5,7,9-10,13,
    18-20H,4H2,(H2,14,15,16)/
    t7-,9-,10-,13-/m1/s1;
    ANCWCJFYCNNXDR-QYVSTXNMSA-N    		 Nc1ncnc2n(cc(C#C)c12)[C@@H]3O[C@H](CO)[C
    @@H](O)[C@H]3O; C#Cc2c1c(ncnc1n(c2)C3OC(
    C(O)C3O)CO)N; C#Cc1cn(c2c1c(ncn2)N)C3C(C
    (C(O3)CO)O)O; Nc1ncnc2n(cc(C#C)c12)[CH]3
    O[CH](CO)[CH](O)[CH]3O; C#Cc1cn(c2c1c(nc
    n2)N)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O    		 5-ethynyl-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
    23486 HO5 1 C25 H23 F3 N8 O2 InChI=1S/C25H23F3N8O2/c1-
    15-5-6-16(21(38)30-18-4-2
    -3-17(12-18)25(26,27)28)1
    1-20(15)31-22-32-23(35-9-
    7-19(37)13-35)34-24(33-22
    )36-10-8-29-14-36/h2-6,8,
    10-12,14,19,37H,7,9,13H2,
    1H3,(H,30,38)(H,31,32,33,
    34)/t19-/m0/s1;
    IOGRLXUUAIVKHX-IBGZPJMESA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CC[C@@H](C3)O)n4
    ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(c
    c1Nc2nc(nc(n2)n3ccnc3)N4CC[C@H](O)C4)C(=
    O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(n
    c(n2)n3ccnc3)N4CC[CH](O)C4)C(=O)Nc5cccc(
    c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n2)N3CCC
    (C3)O)n4ccnc4)C(=O)Nc5cccc(c5)C(F)(F)F    		 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpyrrolidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23487 HO6
    ZINC000095921151    		 3 C10 H8 N2 O2 S2 InChI=1S/C10H8N2O2S2/c1-6
    -2-4-7(5-3-6)15-10-8(9(13
    )14)11-12-16-10/h2-5H,1H3
    ,(H,13,14);
    PNOGJHWZHLJICV-UHFFFAOYSA-N    		 Cc1ccc(cc1)Sc2c(nns2)C(=O)O; Cc1ccc(Sc2s
    nnc2C(O)=O)cc1; O=C(O)c2nnsc2Sc1ccc(cc1)
    C    		 5-[(4-methylphenyl)sulfanyl]-1,2,3-thiadiazole-4-carboxylic acid;
    4-carboxy-5-[(4-chlorophenyl)sulfanyl]-1, 2, 3-thiadiazole
    23488 HO7
    CHEMBL1527442
    ZINC000000056495    		 1 C11 H11 Br N2 S InChI=1S/C11H11BrN2S/c12-
    9-3-1-8(2-4-9)10-7-14-5-6
    -15-11(14)13-10/h1-4,10H,
    5-7H2/t10-/m1/s1;
    HTHGAIADRJRJOY-SNVBAGLBSA-N    		 c1cc(ccc1[C@H]2CN3CCSC3=N2)Br; Brc1ccc(c
    c1)[CH]2CN3CCSC3=N2; c1cc(ccc1C2CN3CCSC3
    =N2)Br; Brc1ccc(cc1)[C@H]2CN3CCSC3=N2; c
    3c(C2CN1CCSC1=N2)ccc(c3)Br    		 (6S)-6-(4-bromophenyl)-2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazole
    23489 HO8 1 C25 H23 F3 N8 O2 InChI=1S/C25H23F3N8O2/c1-
    16-5-6-17(21(37)30-19-4-2
    -3-18(14-19)25(26,27)28)1
    3-20(16)31-22-32-23(35-9-
    11-38-12-10-35)34-24(33-2
    2)36-8-7-29-15-36/h2-8,13
    -15H,9-12H2,1H3,(H,30,37)
    (H,31,32,33,34);
    AAEATOJNNUJMHY-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCOCC3)n4ccnc4)C
    (=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc
    (nc(n2)n3ccnc3)N4CCOCC4)C(=O)Nc5cccc(c5)
    C(F)(F)F    		 3-[(4-imidazol-1-yl-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23490 HO9 1 C25 H22 N2 O4 InChI=1S/C25H22N2O4/c26-2
    5(24(28)29)12-11-16-9-10-
    19(13-18(16)14-25)30-15-1
    7-5-1-2-6-20(17)23-27-21-
    7-3-4-8-22(21)31-23/h1-10
    ,13H,11-12,14-15,26H2,(H,
    28,29)/t25-/m0/s1;
    FHPWRLVLBMWONR-VWLOTQADSA-N    		 c1ccc(c(c1)COc2ccc3c(c2)C[C@@](CC3)(C(=O
    )O)N)c4nc5ccccc5o4; c1ccc(c(c1)COc2ccc3c
    (c2)CC(CC3)(C(=O)O)N)c4nc5ccccc5o4; N[C]
    1(CCc2ccc(OCc3ccccc3c4oc5ccccc5n4)cc2C1)
    C(O)=O; N[C@]1(CCc2ccc(OCc3ccccc3c4oc5cc
    ccc5n4)cc2C1)C(O)=O    		 (2~{S})-2-azanyl-7-[[2-(1,3-benzoxazol-2-yl)phenyl]methoxy]-3,4-dihydro-1~{H}-naphthalene-2-carboxylic acid
    23491 HOA
    CHEMBL1191361    		 37 H3 N O InChI=1S/H3NO/c1-2/h2H,1H
    2;
    AVXURJPOCDRRFD-UHFFFAOYSA-N    		 NO; ON HYDROXYAMINE
    23492 HOB 0 C36 H62 N O9 P InChI=1S/C36H62NO9P/c1-23
    (2)8-6-9-24(3)28-12-13-29
    -27-11-10-25-20-26(14-16-
    35(25,4)30(27)15-17-36(28
    ,29)5)45-34(39)37-18-7-19
    -43-33-21-31(38)32(46-33)
    22-44-47(40,41)42/h10,23-
    24,26-33,38H,6-9,11-22H2,
    1-5H3,(H,37,39)(H2,40,41,
    42)/t24-,26+,27+,28-,29+,
    30+,31+,32-,33-,35+,36-/m
    1/s1;
    DLOGQQLENLVKDG-JWNMYLGSSA-N    		 CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC
    =C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=
    O)NCCCO[C@H]5C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O5; CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C
    3(CCC(C4)OC(=O)NCCCOC5CC(C(O5)COP(=O)(O)
    O)O)C)C; CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]
    3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O
    )NCCCO[CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5
    ; O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C
    4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O    		 (3alpha,8alpha,14beta,17alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)oxy]propyl}carbamate
    23493 HOC
    DB07907
    ZINC000001731997    		 1 C8 H16 O3 InChI=1S/C8H16O3/c1-2-3-4
    -5-6-7(9)8(10)11/h7,9H,2-
    6H2,1H3,(H,10,11)/t7-/m0/
    s1;
    JKRDADVRIYVCCY-ZETCQYMHSA-N    		 CCCCCC[C@@H](C(=O)O)O; CCCCCC[CH](O)C(O)
    =O; CCCCCCC(C(=O)O)O; O=C(O)C(O)CCCCCC;
    CCCCCC[C@H](O)C(O)=O    		 (2S)-2-HYDROXYOCTANOIC ACID
    23494 HOE 0 C25 H25 N6 O InChI=1S/C25H24N6O/c1-30-
    10-12-31(13-11-30)18-5-9-
    21-23(15-18)29-25(27-21)1
    7-4-8-20-22(14-17)28-24(2
    6-20)16-2-6-19(32)7-3-16/
    h2-9,14-15,32H,10-13H2,1H
    3,(H,26,28)(H,27,29)/p+1;
    INAAIJLSXJJHOZ-UHFFFAOYSA-O    		 C[NH+]1CCN(CC1)c2ccc3nc([nH]c3c2)c4ccc5n
    c([nH]c5c4)c6ccc(O)cc6; C[NH+]1CCN(CC1)c
    2ccc3c(c2)[nH]c(n3)c4ccc5c(c4)[nH]c(n5)c
    6ccc(cc6)O; Oc1ccc(cc1)c3nc2ccc(cc2n3)c6
    nc4c(cc(cc4)N5CC[NH+](CC5)C)n6    		 2'-(4-HYDROXYPHENYL)-5-(4-METHYL-1-PIPERAZINYL)-2,5'-BI-BENZIMIDAZOLE;
    HOECHST 33258
    23495 HOF 4 C19 H24 N2 O5 InChI=1S/C19H24N2O5/c1-21
    (2)17(22)15-6-4-5-7-16(15
    )20-19(24)26-12-13-8-10-1
    4(11-9-13)18(23)25-3/h5,7
    -11,15-16H,4,6,12H2,1-3H3
    ,(H,20,24)/t15-,16-/m0/s1;
    VSPPPQJKRCRPEW-HOTGVXAUSA-N    		 CN(C)C(=O)[C@H]1CCC=C[C@@H]1NC(=O)OCc2cc
    c(cc2)C(=O)OC; COC(=O)c1ccc(COC(=O)N[C@H
    ]2C=CCC[C@@H]2C(=O)N(C)C)cc1; CN(C)C(=O)
    C1CCC=CC1NC(=O)OCc2ccc(cc2)C(=O)OC; COC(
    =O)c1ccc(COC(=O)N[CH]2C=CCC[CH]2C(=O)N(C
    )C)cc1    		 methyl 4-[[(1S,6S)-6-(dimethylcarbamoyl)cyclohex-2-en-1-yl]carbamoyloxymethyl]benzoate
    23496 HOG
    CHEMBL4440338    		 1 C13 H9 N O6 InChI=1S/C13H9NO6/c15-9-5
    -8(14-10(11(9)16)13(19)20
    )6-2-1-3-7(4-6)12(17)18/h
    1-5,16H,(H,14,15)(H,17,18
    )(H,19,20);
    CHARUKBQSGEOIG-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)O)C2=CC(=O)C(=C(N2)C(=O)
    O)O; OC(=O)c1cccc(c1)C2=CC(=O)C(=C(N2)C(
    O)=O)O; OC(c1cccc(c1)C=2NC(C(O)=O)=C(O)C
    (C=2)=O)=O    		 6-(3-carboxyphenyl)-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    23497 HOH
    CHEMBL1098659
    DB09145    		 0 H2 O InChI=1S/H2O/h1H2;
    XLYOFNOQVPJJNP-UHFFFAOYSA-N    		 O WATER
    23498 HOI 2 C31 H29 N3 O5 InChI=1S/C31H29N3O5/c1-20
    (35)32-24-12-14-25(15-13-
    24)39-19-23-17-22(11-16-2
    8(23)38-2)30-33-26-9-6-10
    -27(36)29(26)31(37)34(30)
    18-21-7-4-3-5-8-21/h3-17,
    30,33,36H,18-19H2,1-2H3,(
    H,32,35)/t30-/m0/s1;
    JRVXFGNCHKHBPA-PMERELPUSA-N    		 CC(=O)Nc1ccc(cc1)OCc2cc(ccc2OC)C3Nc4cccc
    (c4C(=O)N3Cc5ccccc5)O; COc1ccc(cc1COc2cc
    c(NC(C)=O)cc2)[CH]3Nc4cccc(O)c4C(=O)N3Cc
    5ccccc5; COc1ccc(cc1COc2ccc(NC(C)=O)cc2)
    [C@H]3Nc4cccc(O)c4C(=O)N3Cc5ccccc5; CC(=
    O)Nc1ccc(cc1)OCc2cc(ccc2OC)[C@H]3Nc4cccc
    (c4C(=O)N3Cc5ccccc5)O    		 ~{N}-[4-[[2-methoxy-5-[(2~{S})-5-oxidanyl-4-oxidanylidene-3-(phenylmethyl)-1,2-dihydroquinazolin-2-yl]phenyl]methoxy]phenyl]ethanamide
    23499 HOJ
    CHEMBL4562603    		 2 C26 H27 N3 O5 InChI=1S/C26H27N3O5/c1-17
    (30)29-15-14-22-21(12-13-
    24(28-22)33-3)25(29)26(31
    )27-19-8-10-20(11-9-19)34
    -16-18-6-4-5-7-23(18)32-2
    /h4-13,25H,14-16H2,1-3H3,
    (H,27,31)/t25-/m1/s1;
    RNCVXSNHCXEILI-RUZDIDTESA-N    		 n3c(ccc4C(C(Nc1ccc(cc1)OCc2ccccc2OC)=O)N
    (CCc34)C(C)=O)OC; CC(=O)N1CCc2c(ccc(n2)O
    C)[C@@H]1C(=O)Nc3ccc(cc3)OCc4ccccc4OC; C
    Oc1ccc2[CH](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(
    OCc4ccccc4OC)cc3; CC(=O)N1CCc2c(ccc(n2)O
    C)C1C(=O)Nc3ccc(cc3)OCc4ccccc4OC; COc1cc
    c2[C@@H](N(CCc2n1)C(C)=O)C(=O)Nc3ccc(OCc
    4ccccc4OC)cc3    		 (5R)-6-acetyl-2-methoxy-N-{4-[(2-methoxyphenyl)methoxy]phenyl}-5,6,7,8-tetrahydro-1,6-naphthyridine-5-carboxamide
    23500 HOK 1 C26 H25 F3 N8 O2 InChI=1S/C26H25F3N8O2/c1-
    16-7-8-17(22(39)31-19-5-2
    -4-18(13-19)26(27,28)29)1
    2-21(16)32-23-33-24(36-10
    -3-6-20(38)14-36)35-25(34
    -23)37-11-9-30-15-37/h2,4
    -5,7-9,11-13,15,20,38H,3,
    6,10,14H2,1H3,(H,31,39)(H
    ,32,33,34,35)/t20-/m0/s1;
    JHUYRHDBWXUNON-FQEVSTJZSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCCC(C3)O)n4ccnc
    4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc
    2nc(nc(n2)n3ccnc3)N4CCC[C@H](O)C4)C(=O)N
    c5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n
    2)N3CCC[C@@H](C3)O)n4ccnc4)C(=O)Nc5cccc(
    c5)C(F)(F)F; Cc1ccc(cc1Nc2nc(nc(n2)n3ccn
    c3)N4CCC[CH](O)C4)C(=O)Nc5cccc(c5)C(F)(F
    )F    		 3-[[4-imidazol-1-yl-6-[(3~{S})-3-oxidanylpiperidin-1-yl]-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23501 HOL
    ZINC000098209008    		 0 C36 H62 N O9 P InChI=1S/C36H62NO9P/c1-23
    (2)8-6-9-24(3)28-12-13-29
    -27-11-10-25-20-26(14-16-
    35(25,4)30(27)15-17-36(28
    ,29)5)45-34(39)37-18-7-19
    -43-33-21-31(38)32(46-33)
    22-44-47(40,41)42/h10,23-
    24,26-33,38H,6-9,11-22H2,
    1-5H3,(H,37,39)(H2,40,41,
    42)/t24-,26+,27+,28-,29+,
    30+,31+,32-,33+,35+,36-/m
    1/s1;
    DLOGQQLENLVKDG-ROZGVMSWSA-N    		 CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(C
    C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(
    =O)NCCCO[C@@H]5C[C@@H]([C@H](O5)COP(=O)(
    O)O)O)C)C; CC(C)CCC[C@@H](C)[C@H]1CC[C@H
    ]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[
    C@]12C)OC(=O)NCCCO[C@@H]5C[C@H](O)[C@@H]
    (CO[P](O)(O)=O)O5; CC(C)CCCC(C)C1CCC2C1(
    CCC3C2CC=C4C3(CCC(C4)OC(=O)NCCCOC5CC(C(O
    5)COP(=O)(O)O)O)C)C; CC(C)CCC[CH](C)[CH]
    1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC
    [C]12C)OC(=O)NCCCO[CH]5C[CH](O)[CH](CO[P
    ](O)(O)=O)O5; O=P(O)(O)OCC5OC(OCCCNC(=O)
    OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C
    2(C)CC3)CC5O    		 ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
    23502 HOM
    CHEMBL251935
    DB07908
    ZINC000000332199    		 0 C12 H12 O4 InChI=1S/C12H12O4/c1-7-9-
    3-2-8(14)6-11(9)16-12(15)
    10(7)4-5-13/h2-3,6,13-14H
    ,4-5H2,1H3;
    VCGFYFKJZGIZMX-UHFFFAOYSA-N    		 CC1=C(C(=O)Oc2c1ccc(c2)O)CCO; CC1=C(CCO)
    C(=O)Oc2cc(O)ccc12; O=C2Oc1cc(O)ccc1C(=C
    2CCO)C    		 7-HYDROXY-4-METHYL-3-(2-HYDROXY-ETHYL)COUMARIN
    23503 HOO 0 C6 H7 N3 O4 InChI=1S/C6H7N3O4/c7-2(5(
    11)12)1-3-4(10)9-6(13)8-3
    /h2H,1,7H2,(H,11,12)(H,9,
    10,13)/t2-/m0/s1;
    HQYOJZBTFAOZED-REOHCLBHSA-N    		 C(C1=NC(=O)NC1=O)C(C(=O)O)N; N[CH](CC1=N
    C(=O)NC1=O)C(O)=O; C(C1=NC(=O)NC1=O)[C@@
    H](C(=O)O)N; N[C@@H](CC1=NC(=O)NC1=O)C(O
    )=O    		 (2~{S})-2-azanyl-3-[2,5-bis(oxidanylidene)imidazol-4-yl]propanoic acid
    23504 HOP
    DB07909
    ZINC000006582201    		 6 C23 H27 N O4 InChI=1S/C23H27NO4/c25-21
    -15-19(16-5-2-1-3-6-16)12
    -13-20(21)17-8-10-18(11-9
    -17)23(28)24-14-4-7-22(26
    )27/h1-3,5-6,8-11,19-21,2
    5H,4,7,12-15H2,(H,24,28)(
    H,26,27)/t19-,20+,21-/m0/
    s1;
    OBWILOKKNDYPLX-HBMCJLEFSA-N    		 O=C(O)CCCNC(=O)c1ccc(cc1)C3CCC(c2ccccc2)
    CC3O; c1ccc(cc1)[C@H]2CC[C@@H]([C@H](C2)
    O)c3ccc(cc3)C(=O)NCCCC(=O)O; O[C@H]1C[C@
    H](CC[C@@H]1c2ccc(cc2)C(=O)NCCCC(O)=O)c3
    ccccc3; c1ccc(cc1)C2CCC(C(C2)O)c3ccc(cc3
    )C(=O)NCCCC(=O)O; O[CH]1C[CH](CC[CH]1c2c
    cc(cc2)C(=O)NCCCC(O)=O)c3ccccc3    		 (1S,2S,5S)2-(4-GLUTARIDYLBENZYL)-5-PHENYL-1-CYCLOHEXANOL;
    OXY-COPE-HAPTEN
    23505 HOQ
    ZINC000005963856    		 2 C11 H19 N O5 S InChI=1S/C11H19NO5S/c1-10
    (2,17)5(8(13)14)7-12-6(9(
    15)16)11(3,4)18-7/h5-7,12
    ,17H,1-4H3,(H,13,14)(H,15
    ,16)/t5-,6-,7+/m0/s1;
    MAATUKZAHQWKEG-LYFYHCNISA-N    		 O=C(O)C(C(O)(C)C)C1SC(C(C(=O)O)N1)(C)C;
    CC(C)(O)[C@@H]([C@@H]1N[C@@H](C(O)=O)C(C
    )(C)S1)C(O)=O; CC(C)(O)[CH]([CH]1N[CH](C
    (O)=O)C(C)(C)S1)C(O)=O; CC1([C@@H](N[C@H
    ](S1)[C@@H](C(=O)O)C(C)(C)O)C(=O)O)C; CC
    1(C(NC(S1)C(C(=O)O)C(C)(C)O)C(=O)O)C    		 (1R)-2-(1-CARBOXY-2-HYDROXY-2-METHYL-PROPYL)-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
    23506 HOR
    CHEMBL4129809
    ZINC000072317946    		 4 C21 H22 Cl N3 O InChI=1S/C21H22ClN3O/c22-
    18-10-14(12-23)7-8-20(18)
    26-21-17-6-2-1-4-15(17)11
    -19(21)25-9-3-5-16(24)13-
    25/h1-2,4,6-8,10,16,19,21
    H,3,5,9,11,13,24H2/t16-,1
    9-,21-/m1/s1;
    RLKRLNQEXBPQGQ-OZOXKJRCSA-N    		 c1ccc2c(c1)CC(C2Oc3ccc(cc3Cl)C#N)N4CCCC(
    C4)N; N[CH]1CCCN(C1)[CH]2Cc3ccccc3[CH]2O
    c4ccc(cc4Cl)C#N; N[C@@H]1CCCN(C1)[C@@H]2
    Cc3ccccc3[C@H]2Oc4ccc(cc4Cl)C#N; c1ccc2c
    (c1)C[C@H]([C@@H]2Oc3ccc(cc3Cl)C#N)N4CCC
    [C@H](C4)N    		 4-[[(1R,2R)-2-[(3R)-3-azanylpiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chloranyl-benzenecarbonitrile;
    SAR7334
    23507 HOS
    CHEMBL446991    		 6 C36 H45 Cl N6 O12 InChI=1S/C36H45ClN6O12/c1
    -8-17(5)25(32(50)39-20(35
    (53)54)15-23(44)45)41-30(
    48)21-11-10-12-43(21)34(5
    2)29-36(6,9-2)55-22-14-18
    (13-19(37)28(22)47)27(46)
    26(38-7)33(51)40-24(16(3)
    4)31(49)42-29/h10-11,13-1
    5,21,24,26-27,29,38,46-47
    H,3,8-9,12H2,1-2,4-7H3,(H
    ,39,50)(H,40,51)(H,41,48)
    (H,42,49)(H,44,45)(H,53,5
    4)/b20-15+,25-17+/t21-,24
    -,26-,27-,29+,36+/m0/s1;
    FAFRRYBYQKPKSY-AJSRVUJESA-N    		 O=C(O)\C=C(/C(=O)O)NC(=O)/C(=C(/C)CC)NC(
    =O)C3C=CCN3C(=O)C1NC(=O)C(NC(=O)C(NC)C(O
    )c2cc(OC1(C)CC)c(O)c(Cl)c2)\C(=C)C; CCC(
    =C(C(=O)NC(=CC(=O)O)C(=O)O)NC(=O)C1C=CCN
    1C(=O)C2C(Oc3cc(cc(c3O)Cl)C(C(C(=O)NC(C(
    =O)N2)C(=C)C)NC)O)(C)CC)C; CCC(C)=C(NC(=
    O)[CH]1C=CCN1C(=O)[CH]2NC(=O)[CH](NC(=O)
    [CH](NC)[CH](O)c3cc(Cl)c(O)c(O[C]2(C)CC)
    c3)C(C)=C)C(=O)NC(=CC(O)=O)C(O)=O; CC/C(
    =C(\C(=O)N/C(=C/C(=O)O)/C(=O)O)/NC(=O)[C
    @@H]1C=CCN1C(=O)[C@@H]2[C@@](Oc3cc(cc(c3
    O)Cl)[C@@H]([C@@H](C(=O)N[C@H](C(=O)N2)C
    (=C)C)NC)O)(C)CC)/C; CCC(/C)=C(/NC(=O)[C
    @@H]1C=CCN1C(=O)[C@H]2NC(=O)[C@@H](NC(=O
    )[C@@H](NC)[C@@H](O)c3cc(Cl)c(O)c(O[C@]2
    (C)CC)c3)C(C)=C)C(=O)N\C(=C\C(O)=O)C(O)=
    O    		 Phomopsin A
    23508 HOT 1 C26 H25 F3 N8 O2 InChI=1S/C26H25F3N8O2/c1-
    16-5-6-17(22(39)31-19-4-2
    -3-18(14-19)26(27,28)29)1
    3-21(16)32-23-33-24(36-10
    -7-20(38)8-11-36)35-25(34
    -23)37-12-9-30-15-37/h2-6
    ,9,12-15,20,38H,7-8,10-11
    H2,1H3,(H,31,39)(H,32,33,
    34,35);
    ZHVJHWWEVILTJQ-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)N3CCC(CC3)O)n4ccnc
    4)C(=O)Nc5cccc(c5)C(F)(F)F; Cc1ccc(cc1Nc
    2nc(nc(n2)n3ccnc3)N4CCC(O)CC4)C(=O)Nc5cc
    cc(c5)C(F)(F)F    		 3-[[4-imidazol-1-yl-6-(4-oxidanylpiperidin-1-yl)-1,3,5-triazin-2-yl]amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    23509 HOU
    CHEMBL5072692    		 2 C24 H24 N4 O2 InChI=1S/C24H24N4O2/c1-17
    -21(19-8-3-2-4-9-19)11-6-
    12-22(17)23-27-28-24(30-2
    3)26-20-10-5-7-18(15-20)1
    6-25-13-14-29/h2-12,15,25
    ,29H,13-14,16H2,1H3,(H,26
    ,28);
    YBHXMLDVPTWSAS-UHFFFAOYSA-N    		 Cc1c(cccc1c2nnc(o2)Nc3cccc(c3)CNCCO)c4cc
    ccc4; Cc1c(cccc1c2oc(Nc3cccc(CNCCO)c3)nn
    2)c4ccccc4    		 2-[[3-[[5-(2-methyl-3-phenyl-phenyl)-1,3,4-oxadiazol-2-yl]amino]phenyl]methylamino]ethanol
    23510 HOV
    ZINC000584905770    		 1 C32 H43 N5 O7 InChI=1S/C32H43N5O7/c1-5-
    43-26(38)12-11-23(18-22-1
    3-15-33-29(22)39)34-31(41
    )28-24(21-9-7-6-8-10-21)1
    4-16-37(28)32(42)27(19(2)
    3)35-30(40)25-17-20(4)44-
    36-25/h6-10,17,19,22-24,2
    7-28H,5,11-16,18H2,1-4H3,
    (H,33,39)(H,34,41)(H,35,4
    0)/t22-,23+,24+,27-,28-/m
    0/s1;
    CVLPPZUDRJEOCI-RTOJZCGHSA-N    		 CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)[C
    @@H]2[C@H](CCN2C(=O)[C@H](C(C)C)NC(=O)c3
    cc(on3)C)c4ccccc4; CCOC(=O)CC[CH](C[CH]1
    CCNC1=O)NC(=O)[CH]2[CH](CCN2C(=O)[CH](NC
    (=O)c3cc(C)on3)C(C)C)c4ccccc4; CCOC(=O)C
    C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@H
    ](CCN2C(=O)[C@@H](NC(=O)c3cc(C)on3)C(C)C
    )c4ccccc4; CCOC(=O)CCC(NC(=O)C1N(CCC1c2c
    cccc2)C(=O)C(NC(=O)c3noc(c3)C)C(C)C)CC4C
    CNC4=O; CCOC(=O)CCC(CC1CCNC1=O)NC(=O)C2C
    (CCN2C(=O)C(C(C)C)NC(=O)c3cc(on3)C)c4ccc
    cc4    		 ethyl (4R)-4-[[(2S,3R)-1-[(2S)-3-methyl-2-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]butanoyl]-3-phenyl-pyrrolidin-2-yl]carbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate
    23511 HOW
    ZINC000002168333    		 3 C3 H4 N2 O InChI=1S/C3H4N2O/c4-3-1-2
    -6-5-3/h1-2H,(H2,4,5);
    RHFWLPWDOYJEAL-UHFFFAOYSA-N    		 c1conc1N; Nc1ccon1 1,2-oxazol-3-amine
    23512 HOX
    CHEMBL231389
    ZINC000000968044    		 0 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,10-11H2,(H,12
    ,13)/t8-/m0/s1;
    CMUHFUGDYMFHEI-QMMMGPOBSA-N    		 N[C@@H](Cc1ccc(N)cc1)C(O)=O; N[CH](Cc1cc
    c(N)cc1)C(O)=O; O=C(O)C(N)Cc1ccc(N)cc1;
    c1cc(ccc1C[C@@H](C(=O)O)N)N; c1cc(ccc1CC
    (C(=O)O)N)N    		 4-amino-L-phenylalanine
    23513 HOZ
    ZINC000038792051    		 6 C5 H12 N2 O2 InChI=1S/C5H12N2O2/c6-3-4
    (7)1-2-5(8)9/h4H,1-3,6-7H
    2,(H,8,9)/t4-/m0/s1;
    PQGAAJQIFBEYSA-BYPYZUCNSA-N    		 C(CC(=O)O)[C@@H](CN)N; C(CC(=O)O)C(CN)N;
    NC[CH](N)CCC(O)=O; NC[C@@H](N)CCC(O)=O;
    O=C(O)CCC(N)CN    		 (4S)-4,5-DIAMINOPENTANOIC ACID
    23514 HP0
    ZINC000058660674    		 0 C20 H30 N2 O3 InChI=1S/C20H30N2O3/c21-1
    7(10-14-6-2-1-3-7-14)19(2
    3)13-22-12-16-9-5-4-8-15(
    16)11-18(22)20(24)25/h1-3
    ,6-7,15-19,23H,4-5,8-13,2
    1H2,(H,24,25)/t15-,16+,17
    -,18-,19+/m0/s1;
    HQTYAKTTZLHJLL-XCDZQEORSA-N    		 N[CH](Cc1ccccc1)[CH](O)CN2C[CH]3CCCC[CH]
    3C[CH]2C(O)=O; O=C(O)C1N(CC2CCCCC2C1)CC(
    O)C(N)Cc3ccccc3; c1ccc(cc1)C[C@@H]([C@@H
    ](C[N@@]2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)O)
    O)N; N[C@@H](Cc1ccccc1)[C@H](O)CN2C[C@H]
    3CCCC[C@H]3C[C@H]2C(O)=O; c1ccc(cc1)CC(C
    (CN2CC3CCCCC3CC2C(=O)O)O)N    		 (3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
    23515 HP1 0 C31 H41 N11 O6 InChI=1S/C31H41N11O6/c1-3
    8(2)12-7-9-32-24(43)8-10-
    34-28(45)22-14-19(16-40(2
    2)4)35-29(46)23-15-20(17-
    41(23)5)36-30(47)25-26(44
    )21(18-42(25)6)37-31(48)2
    7-33-11-13-39(27)3/h11,13
    -18,44H,7-10,12H2,1-6H3,(
    H,32,43)(H,34,45)(H,35,46
    )(H,36,47)(H,37,48);
    LNQWOHIRWNQTSI-UHFFFAOYSA-N    		 Cn1ccnc1C(=O)Nc2cn(c(c2O)C(=O)Nc3cc(n(c3
    )C)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(
    C)C)C; CN(C)CCCNC(=O)CCNC(=O)c1cc(NC(=O)
    c2cc(NC(=O)c3n(C)cc(NC(=O)c4nccn4C)c3O)c
    n2C)cn1C    		 ~{N}-[5-[[5-[[5-[[3-[3-(dimethylamino)propylamino]-3-oxidanylidene-propyl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-4-oxidanyl-pyrrol-3-yl]-1-methyl-imidazole-2-carboxamide;
    IMIDAZOLE-HYDROXYPYRROLE-PYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    23516 HP2
    ZINC000150343813    		 0 C31 H41 N11 O6 InChI=1S/C31H41N11O6/c1-3
    8(2)12-7-9-32-24(43)8-10-
    34-28(45)22-14-19(16-40(2
    2)4)35-30(47)25-26(44)21(
    18-42(25)6)37-29(46)23-15
    -20(17-41(23)5)36-31(48)2
    7-33-11-13-39(27)3/h11,13
    -18,44H,7-10,12H2,1-6H3,(
    H,32,43)(H,34,45)(H,35,47
    )(H,36,48)(H,37,46);
    WNWMZSNXDXZKBO-UHFFFAOYSA-N    		 Cn1ccnc1C(=O)Nc2cc(n(c2)C)C(=O)Nc3cn(c(c
    3O)C(=O)Nc4cc(n(c4)C)C(=O)NCCC(=O)NCCCN(
    C)C)C; O=C(Nc3cc(C(=O)Nc2c(O)c(C(=O)Nc1c
    c(C(=O)NCCC(=O)NCCCN(C)C)n(c1)C)n(c2)C)n
    (c3)C)c4nccn4C; CN(C)CCCNC(=O)CCNC(=O)c1
    cc(NC(=O)c2n(C)cc(NC(=O)c3cc(NC(=O)c4ncc
    n4C)cn3C)c2O)cn1C    		 HYDROXYPYRROLE-IMIDAZOLE-PYRROLE POLYAMIDE;
    IMIDAZOLE-PYRROLE-HYDROXYPYRROLE-PYRROLE-BETA ALANINE-DIMETHYLAMINO PROPYLAMIDE
    23517 HP3 0 C3 H8 O2 InChI=1/C3H8O2/c1-3(5)2-4
    /h3-5H,2H2,1H3/t3-/m1/s1;
    DNIAPMSPPWPWGF-GSVOUGTGBJ    		 CC(CO)O; C[C@@H](O)CO; C[CH](O)CO; C[C@H
    ](CO)O; OCC(O)C    		 2,3-PROPANDIOL
    23518 HP4 3 H2 O2 P InChI=1S/H3O2P/c1-3-2/h3H
    2,(H,1,2)/p-1;
    ACVYVLVWPXVTIT-UHFFFAOYSA-M    		 [O-][PH2]=O phosphinate;
    Hypophosphite
    23519 HP5 2 C34 H32 Fe N4 O6 InChI=1S/C34H34N4O6.Fe/c1
    -7-21-16(2)26-14-31-34(20
    (6)44-43)19(5)27(38-31)12
    -24-17(3)22(8-10-32(39)40
    )29(36-24)15-30-23(9-11-3
    3(41)42)18(4)25(37-30)13-
    28(21)35-26;/h7,12-15H,1,
    6,8-11H2,2-5H3,(H5,35,36,
    37,38,39,40,41,42,43);/q;
    +2/p-2/b24-12-,25-13-,26-
    14-,27-12-,28-13-,29-15?,
    30-15-,31-14-;;
    NXBKHEUPFTWXKQ-FPZTWHSASA-L    		 OOC(\c3c(c2C=C1C(=C(CCC(=O)O)C7=N1[Fe]46
    n2c3C=C5N4=C(C(=C5C)[C@H]=C)C=C8N6C(=C7)
    C(=C8C)CCC(O)=O)C)C)=C; CC1=C(CCC(O)=O)C
    2=NC1=Cc3n4[Fe][N]5C(=CC6=NC(=Cc4c(c3C)C
    (=C)OO)C(=C6C=C)C)C(=C(CCC(O)=O)C5=C2)C;
    CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N@@]5C(
    =CC6=NC(=Cc4c(c3C)C(=C)OO)C(=C6C=C)C)C(=
    C(CCC(O)=O)C5=C2)C; Cc1c2n3c(c1C(=C)OO)C
    =C4C(=C(C5=[N]4[Fe]36[N]7=C(C=C8N6C(=C5)
    C(=C8CCC(=O)O)C)C(=C(C7=C2)C)CCC(=O)O)C=
    C)C    		 Peroxidized Heme Form 2
    23520 HP6
    CHEMBL134658
    ZINC000001691363    		 0 C7 H16 InChI=1S/C7H16/c1-3-5-7-6
    -4-2/h3-7H2,1-2H3;
    IMNFDUFMRHMDMM-UHFFFAOYSA-N    		 CCCCCCC HEPTANE
    23521 HP7
    ZINC000024617040    		 22 C17 H25 N3 O18 P2 InChI=1S/C17H25N3O18P2/c1
    -5(21)18-8-10(24)11(25)13
    (15(27)28)36-16(8)37-40(3
    2,33)38-39(30,31)34-4-6-9
    (23)12(26)14(35-6)20-3-2-
    7(22)19-17(20)29/h2-3,6,8
    -14,16,23-26H,4H2,1H3,(H,
    18,21)(H,27,28)(H,30,31)(
    H,32,33)(H,19,22,29)/t6-,
    8-,9-,10-,11+,12-,13+,14-
    ,16-/m1/s1;
    DZOGQXKQLXAPND-HHKCBAECSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]
    1O[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H]2[C@H
    ]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)C(
    =O)O)O)O; CC(=O)N[C@@H]1[C@@H](O)[C@H](O
    )[C@H](O[C@@H]1O[P](O)(=O)O[P](O)(=O)OC[
    C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N
    C3=O)C(O)=O; CC(=O)NC1C(C(C(OC1OP(=O)(O)
    OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)
    O)C(=O)O)O)O; O=C1C=CN(C(=O)N1)C2OC(C(O)
    C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)
    C3NC(=O)C)O)O; CC(=O)N[CH]1[CH](O)[CH](O
    )[CH](O[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)C(O
    )=O    		 (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
    23522 HP8
    CHEMBL1162041
    ZINC000028865812    		 2 C17 H18 N6 O9 S InChI=1S/C17H18N6O9S/c18-
    14-10-15(20-5-19-14)23(6-
    21-10)17-13(27)12(26)9(32
    -17)4-31-33(29,30)22-16(2
    8)7-2-1-3-8(24)11(7)25/h1
    -3,5-6,9,12-13,17,24-27H,
    4H2,(H,22,28)(H2,18,19,20
    )/t9-,12-,13-,17-/m1/s1;
    DDOFAAYVEMVKLG-DMEFTLKTSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(
    =O)NC(=O)c4cccc(O)c4O)[C@@H](O)[C@H]3O;
    O=C(c1cccc(O)c1O)NS(=O)(=O)OCC4OC(n3cnc2
    c(ncnc23)N)C(O)C4O; Nc1ncnc2n(cnc12)[CH]
    3O[CH](CO[S](=O)(=O)NC(=O)c4cccc(O)c4O)[
    CH](O)[CH]3O; c1cc(c(c(c1)O)O)C(=O)NS(=O
    )(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O; c1
    cc(c(c(c1)O)O)C(=O)NS(=O)(=O)OC[C@@H]2[C
    @H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O    		 5'-O-{[(2,3-dihydroxyphenyl)carbonyl]sulfamoyl}adenosine;
    5'-O-[N-(2,3-dihydroxybenzoyl)sulfamoyl] adenosine
    23523 HP9 0 C16 H12 F N O4 InChI=1S/C16H12FNO4/c17-9
    -2-4-14-11(7-9)15(19)10-5
    -8(1-3-13(10)22-14)6-12(1
    8)16(20)21/h1-5,7,12H,6,1
    8H2,(H,20,21)/t12-/m0/s1;
    BHLMSYCQBMXWKV-LBPRGKRZSA-N    		 c1cc2c(cc1C[C@@H](C(=O)O)N)C(=O)c3cc(ccc
    3O2)F; c1cc2c(cc1CC(C(=O)O)N)C(=O)c3cc(c
    cc3O2)F; N[CH](Cc1ccc2Oc3ccc(F)cc3C(=O)c
    2c1)C(O)=O; N[C@@H](Cc1ccc2Oc3ccc(F)cc3C
    (=O)c2c1)C(O)=O    		 (2S)-2-azanyl-3-(7-fluoranyl-9-oxidanylidene-xanthen-2-yl)propanoic acid
    23524 HPA
    CHEMBL1427
    DB04076
    ZINC000018153302    		 82 C5 H4 N4 O InChI=1S/C5H4N4O/c10-5-3-
    4(7-1-6-3)8-2-9-5/h1-2H,(
    H2,6,7,8,9,10);
    FDGQSTZJBFJUBT-UHFFFAOYSA-N    		 O=C1c2c(N=CN1)ncn2; c1[nH]c2c(n1)N=CNC2=
    O; O=C1NC=Nc2nc[nH]c12    		 HYPOXANTHINE
    23525 HPB 0 C10 H15 N O InChI=1/C10H15NO/c1-8(12)
    10(11)7-9-5-3-2-4-6-9/h2-
    6,8,10,12H,7,11H2,1H3/t8-
    ,10+/m1/s1;
    SMZUMFSKQVVOOV-SCZZXKLOBX    		 CC(C(Cc1ccccc1)N)O; C[C@H]([C@H](Cc1cccc
    c1)N)O; C[CH](O)[CH](N)Cc1ccccc1; C[C@@H
    ](O)[C@@H](N)Cc1ccccc1; OC(C(N)Cc1ccccc1
    )C    		 2-HYDROXY-3-AMINO-4-PHENYL BUTANE
    23526 HPC 0 C10 H13 N O InChI=1/C10H13NO/c1-8(12)
    10(11)7-9-5-3-2-4-6-9/h2-
    6,10H,7,11H2,1H3/t10-/m0/
    s1;
    RTUDQBPZFFIRAD-JTQLQIEIBF    		 O=C(C(N)Cc1ccccc1)C; CC(=O)C(Cc1ccccc1)N
    ; CC(=O)[C@@H](N)Cc1ccccc1; CC(=O)[C@H](
    Cc1ccccc1)N; CC(=O)[CH](N)Cc1ccccc1    		 3-AMINO-4-PHENYL-BUTAN-2-ONE
    23527 HPD
    DB04087    		 8 C5 H13 O7 P InChI=1S/C5H13O7P/c6-2-1-
    4(7)5(8)3-12-13(9,10)11/h
    4-8H,1-3H2,(H2,9,10,11)/t
    4-,5+/m0/s1;
    YCHBTVQJICBXEI-CRCLSJGQSA-N    		 O=P(O)(O)OCC(O)C(O)CCO; OCC[CH](O)[CH](O
    )CO[P](O)(O)=O; C(CO)C(C(COP(=O)(O)O)O)O
    ; C(CO)[C@@H]([C@@H](COP(=O)(O)O)O)O; OC
    C[C@H](O)[C@H](O)CO[P](O)(O)=O    		 1-HYDROXY-PENTANE-3,4-DIOL-5-PHOSPHATE;
    OPEN FORM OF 2'-DEOXY-RIBOFURANOSE-5'-PHOSPHATE
    23528 HPE
    CHEMBL1233389
    ZINC000008075874    		 0 C10 H13 N O2 InChI=1S/C10H13NO2/c11-9(
    10(12)13)7-6-8-4-2-1-3-5-
    8/h1-5,9H,6-7,11H2,(H,12,
    13)/t9-/m0/s1;
    JTTHKOPSMAVJFE-VIFPVBQESA-N    		 c1ccc(cc1)CCC(C(=O)O)N; N[CH](CCc1ccccc1
    )C(O)=O; N[C@@H](CCc1ccccc1)C(O)=O; O=C(
    O)C(N)CCc1ccccc1; c1ccc(cc1)CC[C@@H](C(=
    O)O)N    		 HOMOPHENYLALANINE
    23529 HPF
    ZINC000033913600    		 1 C9 H14 N O7 P InChI=1S/C9H14NO7P/c11-7-
    4-2-1-3-6(7)10-9(13)8(12)
    5-17-18(14,15)16/h1-4,8-1
    3H,5H2,(H2,14,15,16)/t8-,
    9-/m1/s1;
    SPOVITMZOKMJPQ-RKDXNWHRSA-N    		 c1ccc(c(c1)N[C@@H]([C@@H](COP(=O)(O)O)O)
    O)O; O=P(O)(O)OCC(O)C(O)Nc1ccccc1O; O[C@
    H](CO[P](O)(O)=O)[C@@H](O)Nc1ccccc1O; c1
    ccc(c(c1)NC(C(COP(=O)(O)O)O)O)O; O[CH](C
    O[P](O)(O)=O)[CH](O)Nc1ccccc1O    		 1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
    23530 HPG 0 C3 H8 O2 InChI=1/C3H8O2/c4-2-1-3-5
    /h4-5H,1-3H2;
    YPFDHNVEDLHUCE-UHFFFAOYAS    		 C(CO)CO; OCCCO HYDROXYPROPYLOXY GROUP
    23531 HPH
    DB07910
    ZINC000002046783    		 6 C9 H13 N O2 InChI=1S/C9H13NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8-9,11-12H,6,10H2/t8-/
    m0/s1;
    IFTWVTAUEXLCHB-QMMMGPOBSA-N    		 N[C@@H](Cc1ccccc1)C(O)O; c1ccc(cc1)CC(C(
    O)O)N; c1ccc(cc1)C[C@@H](C(O)O)N; N[CH](
    Cc1ccccc1)C(O)O; OC(O)C(N)Cc1ccccc1    		 (2S)-2-amino-3-phenylpropane-1,1-diol;
    (2S)-2-amino-3-phenylpropane-1,1-diol
    23532 HPI
    DB02307
    ZINC000012501888    		 1 C23 H27 N3 O6 InChI=1S/C23H27N3O6/c24-2
    1(29)18(14-20(27)28)26-22
    (30)19(13-16-9-5-2-6-10-1
    6)25-17(23(31)32)12-11-15
    -7-3-1-4-8-15/h1-10,17-19
    ,25H,11-14H2,(H2,24,29)(H
    ,26,30)(H,27,28)(H,31,32)
    /t17-,18-,19-/m0/s1;
    FOJUHLDAXGNCIP-FHWLQOOXSA-N    		 c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H](Cc2ccc
    cc2)C(=O)N[C@@H](CC(=O)O)C(=O)N; NC(=O)[
    CH](CC(O)=O)NC(=O)[CH](Cc1ccccc1)N[CH](C
    Cc2ccccc2)C(O)=O; NC(=O)[C@H](CC(O)=O)NC
    (=O)[C@H](Cc1ccccc1)N[C@@H](CCc2ccccc2)C
    (O)=O; O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O
    )CCc1ccccc1)Cc2ccccc2; c1ccc(cc1)CCC(C(=
    O)O)NC(Cc2ccccc2)C(=O)NC(CC(=O)O)C(=O)N    		 N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE
    23533 HPJ
    CHEMBL2203964
    ZINC000095560335    		 4 C22 H21 N3 O3 InChI=1S/C22H21N3O3/c1-28
    -11-5-9-24-10-8-17-12-19(
    15-23-22(17)24)20-13-18(1
    4-21(26)25(20)27)16-6-3-2
    -4-7-16/h2-4,6-8,10,12-15
    ,27H,5,9,11H2,1H3;
    MIWLVFZOCHMICD-UHFFFAOYSA-N    		 COCCCn1ccc2cc(cnc12)C3=CC(=CC(=O)N3O)c4c
    cccc4; COCCCn1ccc2c1ncc(c2)C3=CC(=CC(=O)
    N3O)c4ccccc4; O=C4C=C(c1ccccc1)C=C(c2cc3
    ccn(c3nc2)CCCOC)N4O    		 1-hydroxy-6-[1-(3-methoxypropyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-4-phenylpyridin-2(1H)-one
    23534 HPK
    DB07911    		 6 C12 H9 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-6,8H,7H2,(H,
    15,16)/p-1/b8-4+;
    QPGAZPBFRAAJBD-XBXARRHUSA-M    		 [O-]C(=O)C(=O)C=CCC(=O)c1ccccc1; [O-]C(=
    O)C(=O)/C=C/CC(=O)c1ccccc1; O=C(c1ccccc1
    )C\C=C\C(=O)C([O-])=O; c1ccc(cc1)C(=O)C\
    C=C\C(=O)C(=O)[O-]; c1ccc(cc1)C(=O)CC=CC
    (=O)C(=O)[O-]    		 (3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE
    23535 HPL
    CHEMBL43719
    DB04105
    ZINC000001598919    		 2 C8 H17 N O InChI=1S/C8H17NO/c1-2-3-4
    -5-6-7-9-8-10/h8H,2-7H2,1
    H3,(H,9,10);
    YAUHDTOEJHVKJO-UHFFFAOYSA-N    		 CCCCCCCNC=O; O=CNCCCCCCC HEPTYLFORMAMIDE;
    N-HEPTYLFORMAMIDE
    23536 HPM
    CHEMBL427212
    ZINC000016051861    		 2 C28 H31 N7 O4 InChI=1S/C28H31N7O4/c1-38
    -24-12-22-23(13-25(24)39-
    17-21(36)16-35-10-6-3-7-1
    1-35)31-18-32-26(22)33-20
    -14-29-28(30-15-20)34-27(
    37)19-8-4-2-5-9-19/h2,4-5
    ,8-9,12-15,18,21,36H,3,6-
    7,10-11,16-17H2,1H3,(H,31
    ,32,33)(H,29,30,34,37)/t2
    1-/m0/s1;
    WHHFZOIADLFZRX-NRFANRHFSA-N    		 COc1cc2c(cc1OCC(CN3CCCCC3)O)ncnc2Nc4cnc(
    nc4)NC(=O)c5ccccc5; COc1cc2c(Nc3cnc(NC(=
    O)c4ccccc4)nc3)ncnc2cc1OC[C@@H](O)CN5CCC
    CC5; COc1cc2c(Nc3cnc(NC(=O)c4ccccc4)nc3)
    ncnc2cc1OC[CH](O)CN5CCCCC5; COc1cc2c(cc1
    OC[C@H](CN3CCCCC3)O)ncnc2Nc4cnc(nc4)NC(=
    O)c5ccccc5; O=C(c1ccccc1)Nc2ncc(cn2)Nc5n
    cnc4cc(OCC(O)CN3CCCCC3)c(OC)cc45    		 N-{5-[(7-{[(2S)-2-HYDROXY-3-PIPERIDIN-1-YLPROPYL]OXY}-6-METHOXYQUINAZOLIN-4-YL)AMINO]PYRIMIDIN-2-YL}BENZAMIDE
    23537 HPN
    CHEMBL238502
    DB02641
    ZINC000001672870    		 1 C7 H15 N O InChI=1S/C7H15NO/c1-2-3-4
    -5-6-7(8)9/h2-6H2,1H3,(H2
    ,8,9);
    AEDIXYWIVPYNBI-UHFFFAOYSA-N    		 CCCCCCC(=O)N; O=C(N)CCCCCC; CCCCCCC(N)=O HEPTANAMIDE
    23538 HPO
    DB07912
    ZINC000024708839    		 1 C7 H15 O4 P InChI=1S/C7H15O4P/c1-2-3-
    4-5-7(8)6-12(9,10)11/h2-6
    H2,1H3,(H2,9,10,11);
    ACMQFLCUSWMWKH-UHFFFAOYSA-N    		 CCCCCC(=O)CP(=O)(O)O; O=C(CCCCC)CP(=O)(O
    )O; CCCCCC(=O)C[P](O)(O)=O    		 2-OXOHEPTYLPHOSPHONIC ACID
    23539 HPP
    CHEMBL1172560
    DB03897
    ZINC000008383206    		 6 C9 H10 O3 InChI=1S/C9H10O3/c10-8-4-
    1-7(2-5-8)3-6-9(11)12/h1-
    2,4-5,10H,3,6H2,(H,11,12);
    NMHMNPHRMNGLLB-UHFFFAOYSA-N    		 O=C(O)CCc1ccc(O)cc1; c1cc(ccc1CCC(=O)O)O
    ; OC(=O)CCc1ccc(O)cc1    		 HYDROXYPHENYL PROPIONIC ACID
    23540 HPQ
    DB07913
    ZINC000044460088    		 0 C11 H15 N O InChI=1S/C11H15NO/c1-9(13
    )11(12)8-7-10-5-3-2-4-6-1
    0/h2-6,11H,7-8,12H2,1H3/t
    11-/m0/s1;
    ZDTWNRLBYDWRII-NSHDSACASA-N    		 CC(=O)C(CCc1ccccc1)N; CC(=O)[C@@H](N)CCc
    1ccccc1; CC(=O)[C@H](CCc1ccccc1)N; CC(=O
    )[CH](N)CCc1ccccc1; O=C(C(N)CCc1ccccc1)C    		 HOMOPHENYLALANINYLMETHANE
    23541 HPR
    DB02472
    ZINC000038321449    		 2 C10 H14 N4 O5 InChI=1S/C10H14N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2,4,6-7,10,13,15-17H,1,
    3H2,(H,11,12,18)/t4-,6-,7
    -,10-/m1/s1;
    ZWTNXGIZBOQCAJ-KQYNXXCUSA-N    		 c1nc2c(c(n1)O)NCN2[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO)O)O; c1nc2c(c(n1)O)NCN2C3C(C(C
    (O3)CO)O)O; OC[CH]1O[CH]([CH](O)[CH]1O)N
    2CNc3c(O)ncnc23; Oc3ncnc1c3NCN1C2OC(C(O)
    C2O)CO; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    N2CNc3c(O)ncnc23    		 6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE
    23542 HPS
    CHEMBL26128
    DB03298
    ZINC000001529512    		 4 C6 H7 O4 P InChI=1S/C6H7O4P/c7-11(8,
    9)10-6-4-2-1-3-5-6/h1-5H,
    (H2,7,8,9);
    CMPQUABWPXYYSH-UHFFFAOYSA-N    		 O=P(Oc1ccccc1)(O)O; c1ccc(cc1)OP(=O)(O)O
    ; O[P](O)(=O)Oc1ccccc1    		 PHENYL DIHYDROGEN PHOSPHATE;
    PHENYLPHOSPHATE
    23543 HPT
    DB04139    		 2 C8 H12 N2 O3 InChI=1S/C8H12N2O3/c1-5-6
    (3-2-4-11)9-8(13)10-7(5)1
    2/h11H,2-4H2,1H3,(H2,9,10
    ,12,13);
    OIEJBPVNLZZLGQ-UHFFFAOYSA-N    		 CC1=C(CCCO)NC(=O)NC1=O; CC1=C(NC(=O)NC1=
    O)CCCO; O=C1NC(=C(C(=O)N1)C)CCCO    		 6-HYDROXYPROPYLTHYMINE
    23544 HPU
    ZINC000095921437    		 8 C18 H16 N2 O4 S InChI=1S/C18H16N2O4S/c1-2
    5(23,24)19-16-9-5-8-14(10
    -16)17-11-15(12-18(21)20(
    17)22)13-6-3-2-4-7-13/h2-
    12,19,22H,1H3;
    MDYXMYBWSBAIMZ-UHFFFAOYSA-N    		 C[S](=O)(=O)Nc1cccc(c1)C2=CC(=CC(=O)N2O)
    c3ccccc3; O=C3C=C(c1ccccc1)C=C(c2cccc(NS
    (=O)(=O)C)c2)N3O; CS(=O)(=O)Nc1cccc(c1)C
    2=CC(=CC(=O)N2O)c3ccccc3    		 N-[3-(1-hydroxy-6-oxo-4-phenyl-1,6-dihydropyridin-2-yl)phenyl]methanesulfonamide
    23545 HPV
    ZINC000003869279    		 5 C3 H5 O7 P InChI=1S/C3H5O7P/c4-2(3(5
    )6)1-10-11(7,8)9/h1H2,(H,
    5,6)(H2,7,8,9);
    LFLUCDOSQPJJBE-UHFFFAOYSA-N    		 C(C(=O)C(=O)O)OP(=O)(O)O; OC(=O)C(=O)CO[
    P](O)(O)=O; O=P(O)(O)OCC(=O)C(=O)O    		 2-oxo-3-(phosphonooxy)propanoic acid;
    Hydroxypyruvic acid phosphate
    23546 HPW
    ZINC000095921406    		 4 C19 H19 N3 O6 S2 InChI=1S/C19H19N3O6S2/c1-
    29(25,26)20-16-8-15(9-17(
    12-16)21-30(2,27)28)18-10
    -14(11-19(23)22(18)24)13-
    6-4-3-5-7-13/h3-12,20-21,
    24H,1-2H3;
    AKWZUDBNQVPNBK-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1cc(cc(c1)NS(=O)(=O)C)C2=CC(
    =CC(=O)N2O)c3ccccc3; C[S](=O)(=O)Nc1cc(N
    [S](C)(=O)=O)cc(c1)C2=CC(=CC(=O)N2O)c3cc
    ccc3; O=C3C=C(c1ccccc1)C=C(c2cc(NS(=O)(=
    O)C)cc(NS(=O)(=O)C)c2)N3O    		 N-[3-(1-Hydroxy-6-oxo-4-phenyl-1,6-dihydro-pyridin-2-yl)-5-methanesulfonylamino-phenyl]-methanesulfonamide
    23547 HPX
    DB07914    		 8 C12 H10 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-8,14H,(H,15,
    16)/b7-4+,11-8-;
    RDRDHXDYMGUCKE-KXBBGWRGSA-N    		 OC(=O)C(/O)=C/C=C/C(=O)c1ccccc1; c1ccc(c
    c1)C(=O)/C=C/C=C(/C(=O)O)\O; OC(=O)C(O)=
    CC=CC(=O)c1ccccc1; c1ccc(cc1)C(=O)C=CC=C
    (C(=O)O)O; O=C(\C=C\C=C(/O)C(=O)O)c1cccc
    c1    		 (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
    23548 HPY
    DB03939
    ZINC000005835317    		 5 C4 H6 N2 O2 InChI=1S/C4H6N2O2/c7-3-1-
    2-5-4(8)6-3/h1-3,7H,(H2,5
    ,6,8)/t3-/m0/s1;
    DEAAWXYGBWCVJW-VKHMYHEASA-N    		 C1=CNC(=O)N[C@H]1O; O=C1NC(O)C=CN1; O[CH
    ]1NC(=O)NC=C1; C1=CNC(=O)NC1O; O[C@@H]1N
    C(=O)NC=C1    		 4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
    23549 HPZ
    DB07915
    ZINC000100036081    		 1 C12 H10 O4 InChI=1S/C12H10O4/c13-10(
    9-5-2-1-3-6-9)7-4-8-11(14
    )12(15)16/h1-8,14H,(H,15,
    16)/b7-4+,11-8+;
    RDRDHXDYMGUCKE-VCABWLAWSA-N    		 c1ccc(cc1)C(=O)\C=C\C=C(/C(=O)O)\O; OC(=
    O)C(O)=CC=CC(=O)c1ccccc1; c1ccc(cc1)C(=O
    )C=CC=C(C(=O)O)O; OC(=O)C(\O)=C/C=C/C(=O
    )c1ccccc1; O=C(\C=C\C=C(\O)C(=O)O)c1cccc
    c1    		 (2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
    23550 HQ 0 C16 H21 N O2 InChI=1/C16H21NO2/c1-2-3-
    4-5-6-9-13-12-16(18)14-10
    -7-8-11-15(14)17(13)19/h7
    -8,10-12,18H,2-6,9H2,1H3;
    NZPACTGCRWDXCJ-UHFFFAOYAL    		 CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]; CCCCCCC
    c1cc(c2ccccc2[n+]1[O-])O; [O-][n+]2c1ccc
    cc1c(O)cc2CCCCCCC    		 2-HEPTYL-1,4-DIHYDROXY-QUINOLINIUM
    23551 HQ0
    CHEMBL5201276    		 2 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-3-4
    -5-11-7(2)6-10-8(11)9(12)
    13/h3,6H,1,4-5H2,2H3,(H,1
    2,13);
    KKHWONYZFGWILM-UHFFFAOYSA-N    		 Cc1cnc(n1CCC=C)C(=O)O; Cc1cnc(n1CCC=C)C(
    O)=O    		 1-but-3-enyl-5-methyl-imidazole-2-carboxylic acid
    23552 HQ2
    CHEMBL1315670
    ZINC000064492130    		 2 C14 H15 N3 O3 InChI=1S/C14H15N3O3/c18-1
    2-2-1-10(14(19)20)11-7-9(
    8-16-13(11)12)17-5-3-15-4
    -6-17/h1-2,7-8,15,18H,3-6
    H2,(H,19,20);
    TUTIPJBLHAOGRW-UHFFFAOYSA-N    		 O=C(O)c2c1cc(cnc1c(O)cc2)N3CCNCC3; c1cc(
    c2c(c1C(=O)O)cc(cn2)N3CCNCC3)O; OC(=O)c1
    ccc(O)c2ncc(cc12)N3CCNCC3    		 8-hydroxy-3-(piperazin-1-yl)quinoline-5-carboxylic acid
    23553 HQ3
    CHEMBL5201405    		 2 C12 H12 N2 O2 InChI=1S/C12H12N2O2/c1-9-
    7-13-11(12(15)16)14(9)8-1
    0-5-3-2-4-6-10/h2-7H,8H2,
    1H3,(H,15,16);
    XEZPQNRXMLVHHC-UHFFFAOYSA-N    		 Cc1cnc(n1Cc2ccccc2)C(=O)O; Cc1cnc(n1Cc2c
    cccc2)C(O)=O    		 5-methyl-1-(phenylmethyl)imidazole-2-carboxylic acid
    23554 HQ5
    CHEMBL4465674    		 1 C15 H25 N5 O8 S InChI=1S/C15H25N5O8S/c1-7
    (2)5-8(16)13(23)19-29(25,
    26)27-6-9-11(21)12(22)14(
    28-9)20-4-3-10(17)18-15(2
    0)24/h3-4,7-9,11-12,14,21
    -22H,5-6,16H2,1-2H3,(H,19
    ,23)(H2,17,18,24)/t8-,9+,
    11+,12+,14+/m0/s1;
    GAMJBGGTDXDZPE-XKYXEJCGSA-N    		 CC(C)CC(C(=O)NS(=O)(=O)OCC1C(C(C(O1)N2C=
    CC(=NC2=O)N)O)O)N; CC(C)C[C@@H](C(=O)NS(
    =O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)N2
    C=CC(=NC2=O)N)O)O)N; CC(C)C[C@H](N)C(=O)
    N[S](=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)N2C=CC(=NC2=O)N; CC(C)C[CH](N)C(=O)N
    [S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)N2
    C=CC(=NC2=O)N    		 5'-O-(N-(L-Leucyl)-Sulfamoyl)Cytidine
    23555 HQ6
    CHEMBL541702
    ZINC000059124821    		 2 C9 H18 N2 O5 InChI=1S/C9H18N2O5/c1-4(1
    3)11-7-6(14)2-10-5(3-12)8
    (15)9(7)16/h5-10,12,14-16
    H,2-3H2,1H3,(H,11,13)/t5-
    ,6-,7+,8-,9-/m1/s1;
    RJAFVDFBXXHCRJ-SYHAXYEDSA-N    		 O=C(NC1C(O)C(O)C(NCC1O)CO)C; CC(=O)NC1C(
    CNC(C(C1O)O)CO)O; CC(=O)N[C@H]1[C@@H](CN
    [C@@H]([C@H]([C@@H]1O)O)CO)O; CC(=O)N[CH
    ]1[CH](O)CN[CH](CO)[CH](O)[CH]1O; CC(=O)
    N[C@H]1[C@H](O)CN[C@H](CO)[C@@H](O)[C@@H
    ]1O    		 N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
    23556 HQ7
    CHEMBL4100286    		 2 C26 H30 F N3 O5 InChI=1S/C26H30FN3O5/c1-2
    6(2)11-9-15-13-16(14-18(2
    7)23(15)26)28-25(34)24-17
    -7-8-20(35-3)29-19(17)10-
    12-30(24)21(31)5-4-6-22(3
    2)33/h7-8,13-14,24H,4-6,9
    -12H2,1-3H3,(H,28,34)(H,3
    2,33)/t24-/m1/s1;
    BENOEPUDOPGLCP-XMMPIXPASA-N    		 c1c(OC)nc4c(c1)C(C(=O)Nc3cc2CCC(c2c(c3)F
    )(C)C)N(CC4)C(CCCC(O)=O)=O; COc1ccc2[C@@
    H](N(CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)
    c4c(CCC4(C)C)c3; CC1(CCc2c1c(cc(c2)NC(=O
    )C3c4ccc(nc4CCN3C(=O)CCCC(=O)O)OC)F)C; C
    C1(CCc2c1c(cc(c2)NC(=O)[C@H]3c4ccc(nc4CC
    N3C(=O)CCCC(=O)O)OC)F)C; COc1ccc2[CH](N(
    CCc2n1)C(=O)CCCC(O)=O)C(=O)Nc3cc(F)c4c(C
    CC4(C)C)c3    		 5-[(5R)-5-[(7-fluoro-1,1-dimethyl-2,3-dihydro-1H-inden-5-yl)carbamoyl]-2-methoxy-7,8-dihydro-1,6-naphthyridin-6(5H)-yl]-5-oxopentanoic acid
    23557 HQ8
    CHEMBL1950778
    ZINC000004097493    		 2 C6 H12 O5 InChI=1S/C6H12O5/c7-2-1-3
    (8)5(10)6(11)4(2)9/h2-11H
    ,1H2/t2-,3-,4+,5+/m1/s1;
    IMPKVMRTXBRHRB-MBMOQRBOSA-N    		 O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O; C
    1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O;
    O[CH]1C[CH](O)[CH](O)C(O)[CH]1O; C1C(C(C
    (C(C1O)O)O)O)O    		 (1~{R},2~{S},4~{S},5~{R})-cyclohexane-1,2,3,4,5-pentol
    23558 HQ9
    ZINC000095921368    		 1 C8 H8 O4 InChI=1S/C8H8O4/c9-6-1-2-
    7(10)5(3-6)4-8(11)12/h1-3
    ,7,10H,4H2,(H,11,12)/t7-/
    m0/s1;
    SORMFPBLGIOKJT-ZETCQYMHSA-N    		 O=C(O)CC1=CC(=O)C=CC1O; O[CH]1C=CC(=O)C=
    C1CC(O)=O; C1=CC(=O)C=C([C@H]1O)CC(=O)O;
    C1=CC(=O)C=C(C1O)CC(=O)O; O[C@H]1C=CC(=
    O)C=C1CC(O)=O    		 2-(6-oxidanyl-3-oxidanylidene-cyclohexa-1,4-dien-1-yl)ethanoic acid
    23559 HQA
    ZINC000044699590    		 0 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c13-9
    (12(16)17)5-7-4-8-2-1-3-1
    0(15)11(8)14-6-7/h1-4,6,9
    ,15H,5,13H2,(H,16,17)/t9-
    /m0/s1;
    XLOULZPUVVVWES-VIFPVBQESA-N    		 c1cc2cc(cnc2c(c1)O)CC(C(=O)O)N; N[CH](Cc
    1cnc2c(O)cccc2c1)C(O)=O; c1cc2cc(cnc2c(c
    1)O)C[C@@H](C(=O)O)N; N[C@@H](Cc1cnc2c(O
    )cccc2c1)C(O)=O; O=C(O)C(N)Cc1cc2cccc(O)
    c2nc1    		 3-(8-hydroxyquinolin-3-yl)-L-alanine
    23560 HQB
    CHEMBL4778413    		 3 C12 H9 N5 O2 InChI=1S/C12H9N5O2/c1-13-
    12-15-6-8-4-7-5-14-3-2-9(
    7)11(17(18)19)10(8)16-12/
    h2-6H,1H3,(H,13,15,16);
    WJQCMHKMNXKJQR-UHFFFAOYSA-N    		 CNc1ncc2cc3cnccc3c(c2n1)[N+]([O-])=O; CN
    c1ncc2cc3cnccc3c(c2n1)[N+](=O)[O-]    		 ~{N}-methyl-10-nitro-pyrido[3,4-g]quinazolin-2-amine
    23561 HQC
    DB07916
    ZINC000016051414    		 2 C24 H25 N3 O6 S InChI=1S/C24H25N3O6S/c28-
    14-16(13-21(30)31)26-23(3
    2)17(20-8-4-12-34-20)6-1-
    2-11-25-24(33)18-10-9-15-
    5-3-7-19(29)22(15)27-18/h
    3-5,7-10,12,14,16-17,29H,
    1-2,6,11,13H2,(H,25,33)(H
    ,26,32)(H,30,31)/t16-,17-
    /m0/s1;
    QXMPYGCWDMKRMF-IRXDYDNUSA-N    		 O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c
    2nc3c(cc2)cccc3O; c1cc2ccc(nc2c(c1)O)C(=
    O)NCCCC[C@@H](c3cccs3)C(=O)N[C@@H](CC(=O
    )O)C=O; c1cc2ccc(nc2c(c1)O)C(=O)NCCCCC(c
    3cccs3)C(=O)NC(CC(=O)O)C=O; OC(=O)C[CH](
    NC(=O)[CH](CCCCNC(=O)c1ccc2cccc(O)c2n1)c
    3sccc3)C=O; OC(=O)C[C@H](NC(=O)[C@@H](CC
    CCNC(=O)c1ccc2cccc(O)c2n1)c3sccc3)C=O    		 3-{6-[(8-HYDROXY-QUINOLINE-2-CARBONYL)-AMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-4-OXO-BUTYRI ACID
    23562 HQD
    ZINC000016343276    		 9 C10 H9 N O2 InChI=1S/C10H9NO2/c1-6-9(
    12)10(13)7-4-2-3-5-8(7)11
    -6/h2-5,12H,1H3,(H,11,13);
    FSCXZVPPDJYLDD-UHFFFAOYSA-N    		 CC1=C(O)C(=O)c2ccccc2N1; O=C2c1c(cccc1)N
    C(=C2O)C; CC1=C(C(=O)c2ccccc2N1)O    		 3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE
    23563 HQE
    CHEMBL537
    DB09526
    ZINC000005133378    		 16 C6 H6 O2 InChI=1S/C6H6O2/c7-5-1-2-
    6(8)4-3-5/h1-4,7-8H;
    QIGBRXMKCJKVMJ-UHFFFAOYSA-N    		 Oc1ccc(O)cc1; c1cc(ccc1O)O benzene-1,4-diol
    23564 HQF
    CHEMBL5206719    		 4 C12 H10 N4 O2 S InChI=1S/C12H10N4O2S/c13-
    12-15-8-2-1-7(5-9(8)19-12
    )6-16-4-3-14-10(16)11(17)
    18/h1-5H,6H2,(H2,13,15)(H
    ,17,18);
    AKDVYGWISHGCBY-UHFFFAOYSA-N    		 c1cc2c(cc1Cn3ccnc3C(=O)O)sc(n2)N; Nc1sc2
    cc(Cn3ccnc3C(O)=O)ccc2n1    		 1-[(2-azanyl-1,3-benzothiazol-6-yl)methyl]imidazole-2-carboxylic acid
    23565 HQG
    ZINC000096015919    		 5 C15 H24 N5 O17 P3 InChI=1S/C15H24N5O17P3/c1
    6-12-7-13(18-3-17-12)20(4
    -19-7)14-10(23)8(21)5(34-
    14)1-32-39(28,29)37-40(30
    ,31)33-2-6-9(22)11(24)15(
    35-6)36-38(25,26)27/h3-6,
    8-11,14-15,21-24H,1-2H2,(
    H,28,29)(H,30,31)(H2,16,1
    7,18)(H2,25,26,27)/t5-,6-
    ,8-,9-,10-,11-,14-,15-/m1
    /s1;
    CUNFRFHBHMFVPH-KEOHHSTQSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]
    ([C@H]([C@H](O4)OP(=O)(O)O)O)O)O)O)N; Nc
    1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P
    ](O)(=O)OC[CH]4O[CH](O[P](O)(O)=O)[CH](O
    )[CH]4O)[CH](O)[CH]3O; C2(C(C(C(COP(O)(=
    O)OP(O)(=O)OCC1C(C(C(OP(=O)(O)O)O1)O)O)O
    2)O)O)n3c4c(nc3)c(ncn4)N; c1nc(c2c(n1)n(
    cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(
    C(C(O4)OP(=O)(O)O)O)O)O)O)N; Nc1ncnc2n(c
    nc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=
    O)OC[C@H]4O[C@H](O[P](O)(O)=O)[C@H](O)[C
    @@H]4O)[C@@H](O)[C@H]3O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    23566 HQH
    CHEMBL272733
    ZINC000014655907    		 12 C25 H37 N O4 InChI=1S/C25H37NO4/c1-9-1
    8(4)22(27)19(5)15-17(3)12
    -10-11-16(2)13-14-21-20(6
    )23(28)24(29-7)25(26-21)3
    0-8/h9-10,12-13,15,19,22,
    27H,11,14H2,1-8H3,(H,26,2
    8)/b12-10+,16-13+,17-15+,
    18-9+/t19-,22+/m1/s1;
    BBLGCDSLCDDALX-LKGBESRRSA-N    		 COC1=C(OC)C(=O)C(=C(CC=C(C)CC=CC(C)=C[CH
    ](C)[CH](O)C(C)=CC)N1)C; COC1=C(OC)C(=O)
    C(=C(C\C=C(/C)C\C=C\C(C)=C\[C@@H](C)[C@@
    H](O)C(/C)=C/C)N1)C; CC=C(C)C(C(C)C=C(C)
    C=CCC(=CCC1=C(C(=O)C(=C(N1)OC)OC)C)C)O;
    C/C=C(\C)/[C@@H]([C@H](C)/C=C(\C)/C=C/C/
    C(=C/CC1=C(C(=O)C(=C(N1)OC)OC)C)/C)O    		 Piericidin A
    23567 HQI
    ZINC000031776951    		 1 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c1-7(
    14)13-9-4-5-10(15)11-8(9)
    3-2-6-12-11/h2-6,15H,1H3,
    (H,13,14);
    YATHWKGKLIXEFF-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(O)c2ncccc12; CC(=O)Nc1ccc(c
    2c1cccn2)O    		 N-(8-hydroxyquinolin-5-yl)acetamide;
    8-hydroxyquinoline
    23568 HQJ
    CHEMBL4871575
    ZINC000039132756    		 16 C9 H7 Cl N2 InChI=1S/C9H7ClN2/c10-8-3
    -1-2-7(4-8)9-5-11-6-12-9/
    h1-6H,(H,11,12);
    YAJYVAFOVNSPBQ-UHFFFAOYSA-N    		 Clc1cccc(c1)c2c[nH]cn2; c1(cccc(c1)c2cnc
    n2)Cl; c1cc(cc(c1)Cl)c2c[nH]cn2    		 4-(3-chlorophenyl)-1H-imidazole
    23569 HQK
    CHEMBL225963
    ZINC000001543237    		 4 C19 H25 Cl N2 O S InChI=1S/C19H25ClN2OS/c1-
    18(2,3)14-9-7-13(8-10-14)
    12-24-15-11-21-22(19(4,5)
    6)17(23)16(15)20/h7-11H,1
    2H2,1-6H3;
    DWFZBUWUXWZWKD-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C
    )(C)C)Cl; CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2
    ccc(cc2)C(C)(C)C    		 Pyridaben
    23570 HQL
    CHEMBL574003
    DB07917
    ZINC000003810035    		 4 C22 H27 N5 O InChI=1S/C22H27N5O/c1-3-8
    -18(9-4-1)22(19-10-5-2-6-
    11-19)28-20-13-16-27(17-1
    4-20)15-7-12-21-23-25-26-
    24-21/h1-6,8-11,20,22H,7,
    12-17H2,(H,23,24,25,26);
    TZQGXAHOROZEKN-UHFFFAOYSA-N    		 c1ccc(cc1)C(c2ccccc2)OC3CCN(CC3)CCCc4[nH
    ]nnn4; O(C2CCN(CCCc1nnnn1)CC2)C(c3ccccc3
    )c4ccccc4; C(CN1CCC(CC1)OC(c2ccccc2)c3cc
    ccc3)Cc4[nH]nnn4    		 4-(BENZHYDRYLOXY)-1-[3-(1H-TETRAAZOL-5-YL)PROPYL]PIPERIDINE;
    HQL-79
    23571 HQM 4 C28 H37 N3 O3 InChI=1S/C28H37N3O3/c1-18
    (2)17-31(22-7-5-4-6-8-22)
    26-14-11-20(23-16-24(23)2
    7(32)33)15-25(26)30-28(34
    )29-21-12-9-19(3)10-13-21
    /h9-15,18,22-24H,4-8,16-1
    7H2,1-3H3,(H,32,33)(H2,29
    ,30,34)/t23-,24-/m1/s1;
    AHNMZQOTEVUTJH-DNQXCXABSA-N    		 Cc1ccc(cc1)NC(=O)Nc2cc(ccc2N(CC(C)C)C3CC
    CCC3)[C@H]4C[C@H]4C(=O)O; CC(C)CN(C1CCCC
    C1)c3c(cc(C2C(C2)C(O)=O)cc3)NC(=O)Nc4ccc
    (cc4)C; CC(C)CN(C1CCCCC1)c2ccc(cc2NC(=O)
    Nc3ccc(C)cc3)[C@H]4C[C@H]4C(O)=O; CC(C)C
    N(C1CCCCC1)c2ccc(cc2NC(=O)Nc3ccc(C)cc3)[
    CH]4C[CH]4C(O)=O; Cc1ccc(cc1)NC(=O)Nc2cc
    (ccc2N(CC(C)C)C3CCCCC3)C4CC4C(=O)O    		 (1R,2S)-2-(4-[cyclohexyl(2-methylpropyl)amino]-3-{[(4-methylphenyl)carbamoyl]amino}phenyl)cyclopropane-1-carboxylic acid
    23572 HQN
    CHEMBL3092389
    ZINC000000388437    		 1 C6 H6 O3 InChI=1S/C6H6O3/c7-4-1-2-
    5(8)6(9)3-4/h1-3,7-9H;
    GGNQRNBDZQJCCN-UHFFFAOYSA-N    		 c1cc(c(cc1O)O)O; Oc1cc(O)c(O)cc1; Oc1ccc
    (O)c(O)c1    		 benzene-1,2,4-triol
    23573 HQO
    CHEMBL1233401
    DB07918
    ZINC000001529909    		 18 C16 H21 N O2 InChI=1S/C16H21NO2/c1-2-3
    -4-5-6-9-13-12-16(18)14-1
    0-7-8-11-15(14)17(13)19/h
    7-8,10-12,18H,2-6,9H2,1H3;
    NZPACTGCRWDXCJ-UHFFFAOYSA-N    		 CCCCCCCc1cc(O)c2ccccc2[n+]1[O-]; CCCCCCC
    c1cc(c2ccccc2[n+]1[O-])O; [O-][n+]2c1ccc
    cc1c(O)cc2CCCCCCC    		 2-HEPTYL-4-HYDROXY QUINOLINE N-OXIDE;
    2-HEPTYL-1-OXY-QUINOLIN-4-OL
    23574 HQP 0 C21 H17 N7 InChI=1S/C21H17N7/c22-12-
    13-5-9-15(10-6-13)23-21-2
    4-17-4-2-1-3-16(17)20(26-
    21)25-19-11-18(27-28-19)1
    4-7-8-14/h1-6,9-11,13-14H
    ,7-8H2,(H2,24,25,26,27,28
    )/b23-15-;
    SEECYRBHJSWALR-HAHDFKILSA-N    		 c1ccc2c(c1)c(nc(n2)N=C3C=CC(C=C3)C#N)Nc4
    cc([nH]n4)C5CC5; N#CC5C=C/C(=N/c2nc1c(cc
    cc1)c(n2)Nc3nnc(c3)C4CC4)C=C5; N#CC1C=CC
    (C=C1)=Nc2nc(Nc3cc([nH]n3)C4CC4)c5ccccc5
    n2    		 4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE
    23575 HQQ
    CHEMBL176467
    DB03368    		 3 C17 H14 N2 O4 InChI=1S/C17H14N2O4/c1-17
    (14(20)18-16(22)19-15(17)
    21)11-7-9-13(10-8-11)23-1
    2-5-3-2-4-6-12/h2-10H,1H3
    ,(H2,18,19,20,21,22);
    RTBMLCLTYAPKIF-UHFFFAOYSA-N    		 CC1(C(=O)NC(=O)NC1=O)c2ccc(Oc3ccccc3)cc2
    ; CC1(C(=O)NC(=O)NC1=O)c2ccc(cc2)Oc3cccc
    c3; O=C1NC(=O)NC(=O)C1(c3ccc(Oc2ccccc2)c
    c3)C    		 5-METHYL-5-(4-PHENOXY-PHENYL)-PYRIMIDINE-2,4,6-TRIONE
    23576 HQR
    CHEMBL5187384    		 1 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c1-3-4
    -5-11-6-7(2)10-8(11)9(12)
    13/h3,6H,1,4-5H2,2H3,(H,1
    2,13);
    SPRYXRMJQASWIM-UHFFFAOYSA-N    		 Cc1cn(CCC=C)c(n1)C(O)=O; Cc1cn(c(n1)C(=O
    )O)CCC=C    		 1-but-3-enyl-4-methyl-imidazole-2-carboxylic acid
    23577 HQS
    CHEMBL4452336    		 6 C11 H12 Br F N6 O4 S2 InChI=1S/C11H12BrFN6O4S2/
    c12-7-5-6(1-2-8(7)13)16-1
    0(17-20)9-11(19-23-18-9)2
    4-4-3-15-25(14,21)22/h1-2
    ,5,15,20H,3-4H2,(H,16,17)
    (H2,14,21,22);
    WSIGGURFGMNQNZ-UHFFFAOYSA-N    		 C(Sc2c(C(\Nc1ccc(F)c(c1)Br)=N\O)non2)CNS
    (N)(=O)=O; c1cc(c(cc1NC(=NO)c2c(non2)SCC
    NS(=O)(=O)N)Br)F; N[S](=O)(=O)NCCSc1nonc
    1C(Nc2ccc(F)c(Br)c2)=NO; c1cc(c(cc1N/C(=
    N\O)/c2c(non2)SCCNS(=O)(=O)N)Br)F; N[S](
    =O)(=O)NCCSc1nonc1/C(Nc2ccc(F)c(Br)c2)=N
    /O    		 N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]sulfanyl}-1,2,5-oxadiazole-3-carboximidamide
    23578 HQT
    CHEMBL3326438
    ZINC000221804656    		 1 C9 H7 N O S InChI=1S/C9H7NOS/c11-10-6
    -5-7-3-1-2-4-8(7)9(10)12/
    h1-6,11H;
    RTPXYUZLLYULJQ-UHFFFAOYSA-N    		 c1ccc2c(c1)C=CN(C2=S)O; ON1C=Cc2ccccc2C1
    =S; S=C1c2ccccc2C=CN1O    		 2-hydroxyisoquinoline-1(2H)-thione
    23579 HQU
    ZINC000003647272    		 0 C10 H7 N O3 InChI=1S/C10H7NO3/c12-8-5
    -6-3-1-2-4-7(6)11-9(8)10(
    13)14/h1-5,12H,(H,13,14);
    WHKZBVQIMVUGIH-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(c(n2)C(=O)O)O; OC(=O)c1nc2
    ccccc2cc1O; O=C(O)c1nc2ccccc2cc1O    		 3-HYDROXYQUINALDIC ACID
    23580 HQV 1 C19 H29 N3 O16 P2 S InChI=1S/C19H29N3O16P2S/c
    1-2-3-10(24)20-12-15(28)1
    4(27)9(6-23)41-18(12)37-4
    0(33,34)38-39(31,32)35-7-
    8-13(26)16(29)17(36-8)22-
    5-4-11(25)21-19(22)30/h2-
    5,8-9,12-18,23,26-29H,6-7
    H2,1H3,(H,20,24)(H,31,32)
    (H,33,34)(H,21,25,30)/b3-
    2+/t8-,9-,12-,13-,14-,15-
    ,16-,17-,18+/m1/s1;
    AFVRCJQTNTUWNQ-PIXURASRSA-N    		 C/C=C/C(=O)N[C@@H]1[C@H]([C@@H]([C@H](S[
    C@@H]1OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H]([
    C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)
    O; CC=CC(=O)NC1C(C(C(SC1OP(=O)(O)OP(=O)(
    O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)CO)O)
    O; CC=CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)
    S[CH]1O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=O)NC3=O; C\C=C\C(
    =O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)S[
    C@@H]1O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@
    H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O; C(C
    2C(C(C(N1C=CC(=O)NC1=O)O2)O)O)OP(OP(OC3C
    (C(O)C(O)C(CO)S3)NC([C@H]=CC)=O)(O)=O)(=
    O)O    		 (2S,3R,4R,5S,6R)-3-[(2E)-but-2-enoylamino]-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    23581 HQW
    ZINC000004025640    		 3 C22 H23 N O6 InChI=1S/C22H23NO6/c1-13(
    9-16-5-7-18(8-6-16)23(25)
    26)10-17-11-19(28-12-17)2
    1-14(2)20(24)15(3)22(27-4
    )29-21/h5-10,19H,11-12H2,
    1-4H3/b13-9+,17-10-/t19-/
    m1/s1;
    GQKXCBCSVYJUMI-WACKOAQBSA-N    		 CC1=C(OC(=C(C1=O)C)OC)C2CC(=CC(=Cc3ccc(c
    c3)[N+](=O)[O-])C)CO2; COC1=C(C)C(=O)C(=
    C(O1)[CH]2CC(CO2)=CC(C)=Cc3ccc(cc3)[N+](
    [O-])=O)C; COC1=C(C)C(=O)C(=C(O1)[C@H]2C
    /C(CO2)=C/C(C)=C/c3ccc(cc3)[N+]([O-])=O)
    C; CC1=C(OC(=C(C1=O)C)OC)[C@H]2C/C(=C/C(
    =C/c3ccc(cc3)[N+](=O)[O-])/C)/CO2    		 Aureothin
    23582 HQX 1 C11 H17 Br N2 O2 InChI=1S/C11H17BrN2O2/c1-
    4-8(2)10(14-9(3)15)11(16)
    13-7-5-6-12/h8,10H,4,7H2,
    1-3H3,(H,13,16)(H,14,15)/
    t8-,10-/m0/s1;
    RXUWJGHXIHPACB-WPRPVWTQSA-N    		 CC[C@H](C)[C@@H](C(=O)NCC#CBr)NC(=O)C; C
    C[C@H](C)[C@H](NC(C)=O)C(=O)NCC#CBr; CC[
    CH](C)[CH](NC(C)=O)C(=O)NCC#CBr; CCC(C)C
    (C(=O)NCC#CBr)NC(=O)C    		 (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide
    23583 HQY
    CHEMBL310555
    DB11145
    ZINC000000008492    		 10 C9 H7 N O InChI=1S/C9H7NO/c11-8-5-1
    -3-7-4-2-6-10-9(7)8/h1-6,
    11H;
    MCJGNVYPOGVAJF-UHFFFAOYSA-N    		 Oc1cccc2cccnc12; c1cc2cccnc2c(c1)O quinolin-8-ol;
    8-hydroxyquinoline
    23584 HQZ
    ZINC000205191295    		 4 C3 H11 B N O5 S InChI=1S/C3H11BNO5S/c1-3(
    4(6,7)8)5-11(2,9)10/h3,5-
    8H,1-2H3/q-1/t3-/m1/s1;
    ZTYRBLZCLIYDCR-GSVOUGTGSA-N    		 [B-]([C@@H](C)NS(=O)(=O)C)(O)(O)O; [B-](
    C(C)NS(=O)(=O)C)(O)(O)O; C[CH](N[S](C)(=
    O)=O)[B-](O)(O)O; C[C@@H](N[S](C)(=O)=O)
    [B-](O)(O)O; O=S(=O)(NC([B-](O)(O)O)C)C    		 trihydroxy{(1S)-1-[(methylsulfonyl)amino]ethyl}borate(1-)
    23585 HR0
    CHEMBL4090908    		 1 C11 H7 N5 O InChI=1S/C11H7N5O/c1-6-8(
    5-12)10-14-11(17)7-3-2-4-
    13-9(7)16(10)15-6/h2-4H,1
    H3,(H,14,17);
    FIRSAIIBSBCBTF-UHFFFAOYSA-N    		 Cc1c(c2nc(c3cccnc3n2n1)O)C#N; Cc1nn2c3nc
    ccc3c(O)nc2c1C#N    		 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile
    23586 HR1
    CHEMBL1207787
    ZINC000016052420    		 8 C33 H33 F N2 O5 InChI=1S/C33H33FN2O5/c1-2
    0(2)35-28(17-16-24(37)18-
    25(38)19-29(39)40)30(21-1
    2-14-22(34)15-13-21)31-26
    -10-6-7-11-27(26)36(33(41
    )32(31)35)23-8-4-3-5-9-23
    /h3-15,20,24-25,37-38H,16
    -19H2,1-2H3,(H,39,40)/t24
    -,25-/m1/s1;
    UFHOPRVARZPTSH-JWQCQUIFSA-N    		 CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccccc
    4)c5ccc(cc5)F)CC[C@H](C[C@H](CC(=O)O)O)O
    ; CC(C)n1c(c(c-2c1C(=O)N(c3c2cccc3)c4ccc
    cc4)c5ccc(cc5)F)CCC(CC(CC(=O)O)O)O; CC(C
    )n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(F)
    cc2)c3c4ccccc4N(C(=O)c13)c5ccccc5; O=C(O
    )CC(O)CC(O)CCc3c(c2c1c(cccc1)N(C(=O)c2n3
    C(C)C)c4ccccc4)c5ccc(F)cc5; CC(C)n1c(CC[
    C@@H](O)C[C@@H](O)CC(O)=O)c(c2ccc(F)cc2)
    c3c4ccccc4N(C(=O)c13)c5ccccc5    		 (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
    23587 HR2
    CHEMBL521039
    ZINC000016052419    		 8 C30 H35 F N2 O5 InChI=1S/C30H35FN2O5/c1-1
    9(2)33-26(15-14-23(34)17-
    24(35)18-27(36)37)28(20-1
    0-12-21(31)13-11-20)25-9-
    6-16-32(30(38)29(25)33)22
    -7-4-3-5-8-22/h3-5,7-8,10
    -13,19,23-24,34-35H,6,9,1
    4-18H2,1-2H3,(H,36,37)/t2
    3-,24-/m1/s1;
    OMBVEVHRIQULKW-DNQXCXABSA-N    		 CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(O)=O)c(
    c2ccc(F)cc2)c3CCCN(C(=O)c13)c4ccccc4; CC
    (C)n1c(CC[CH](O)C[CH](O)CC(O)=O)c(c2ccc(
    F)cc2)c3CCCN(C(=O)c13)c4ccccc4; CC(C)n1c
    (c(c2c1C(=O)N(CCC2)c3ccccc3)c4ccc(cc4)F)
    CCC(CC(CC(=O)O)O)O; O=C(O)CC(O)CC(O)CCc1
    c(c3c(n1C(C)C)C(=O)N(c2ccccc2)CCC3)c4ccc
    (F)cc4; CC(C)n1c(c(c2c1C(=O)N(CCC2)c3ccc
    cc3)c4ccc(cc4)F)CC[C@H](C[C@H](CC(=O)O)O
    )O    		 (3R,5R)-7-[3-(4-FLUOROPHENYL)-1-ISOPROPYL-8-OXO-7-PHENYL-1,4,5,6,7,8-HEXAHYDROPYRROLO[2,3-C]AZEPIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID
    23588 HR3 1 C15 H14 N2 O5 InChI=1S/C15H14N2O5/c1-22
    -10-4-2-9(3-5-10)7-16-13-
    8-17-12(15(20)21)6-11(13)
    14(18)19/h2-6,8,16H,7H2,1
    H3,(H,18,19)(H,20,21);
    FRXQENHLNWKEGR-UHFFFAOYSA-N    		 COc1ccc(CNc2cnc(cc2C(O)=O)C(O)=O)cc1; CO
    c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O    		 5-((4-methoxybenzyl)amino)pyridine-2,4-dicarboxylic acid
    23589 HR4 2 C17 H17 F N5 O5 P S2 InChI=1S/C17H17FN5O5PS2/c
    18-9-3-1-8(2-4-9)6-31-17-
    22-11-14(19)20-7-21-15(11
    )23(17)16-12(24)13-10(27-
    16)5-26-29(25,30)28-13/h1
    -4,7,10,12-13,16,24H,5-6H
    2,(H,25,30)(H2,19,20,21)/
    t10-,12-,13-,16-,29+/m1/s
    1;
    HQPHMVRGPVFPCD-BVGSDMBWSA-N    		 c1cc(ccc1CSc2nc3c(ncnc3n2C4C(C5C(O4)COP(
    =O)(O5)S)O)N)F; Nc1ncnc2n([C@@H]3O[C@@H]
    4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c(SCc5ccc(
    F)cc5)nc12; Fc1ccc(cc1)CSc3nc2c(ncnc2n3C
    5OC4COP(=O)(OC4C5O)S)N; Nc1ncnc2n([CH]3O
    [CH]4CO[P](S)(=O)O[CH]4[CH]3O)c(SCc5ccc(
    F)cc5)nc12; c1cc(ccc1CSc2nc3c(ncnc3n2[C@
    H]4[C@@H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)
    S)O)N)F    		 (2S,4aR,6R,7R,7aS)-6-{6-amino-8-[(4-fluorobenzyl)sulfanyl]-9H-purin-9-yl}-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
    23590 HR5
    ZINC000026143362    		 9 C11 H17 N3 O InChI=1S/C11H17N3O/c1-8-1
    0(7-13-14(8)2)11(15)12-6-
    9-4-3-5-9/h7,9H,3-6H2,1-2
    H3,(H,12,15);
    WFWUJGIABNGBBR-UHFFFAOYSA-N    		 Cc1c(cnn1C)C(=O)NCC2CCC2; Cn1ncc(C(=O)NC
    C2CCC2)c1C    		 ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide
    23591 HR6 2 C17 H18 N5 O5 P S2 InChI=1S/C17H18N5O5PS2/c1
    8-14-11-15(20-8-19-14)22(
    17(21-11)30-7-9-4-2-1-3-5
    -9)16-12(23)13-10(26-16)6
    -25-28(24,29)27-13/h1-5,8
    ,10,12-13,16,23H,6-7H2,(H
    ,24,29)(H2,18,19,20)/t10-
    ,12-,13-,16-,28+/m1/s1;
    CXSXQZZDDPUUEA-LXJUGQNYSA-N    		 Nc1ncnc2n([CH]3O[CH]4CO[P](S)(=O)O[CH]4[
    CH]3O)c(SCc5ccccc5)nc12; Nc1ncnc2n([C@@H
    ]3O[C@@H]4CO[P@@](S)(=O)O[C@H]4[C@H]3O)c
    (SCc5ccccc5)nc12; O=P4(OCC5OC(n2c3ncnc(N
    )c3nc2SCc1ccccc1)C(O)C5O4)S; c1ccc(cc1)C
    Sc2nc3c(ncnc3n2C4C(C5C(O4)COP(=O)(O5)S)O
    )N; c1ccc(cc1)CSc2nc3c(ncnc3n2[C@H]4[C@@
    H]([C@H]5[C@H](O4)CO[P@@](=O)(O5)S)O)N    		 (2S,4aR,6R,7R,7aS)-6-[6-amino-8-(benzylsulfanyl)-9H-purin-9-yl]-2-sulfanyltetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-ol 2-oxide
    23592 HR7 0 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c8-5(4
    -6(12)13)2-1-3-11-7(9)10/
    h5H,1-4,8H2,(H,12,13)(H4,
    9,10,11);
    VNWXCGKMEWXYBP-UHFFFAOYSA-N    		 C(CC(CC(=O)O)N)CN=C(N)N; N[CH](CCCN=C(N)
    N)CC(O)=O; N[C@@H](CCCN=C(N)N)CC(O)=O; O
    =C(O)CC(N)CCC/N=C(\N)N; C(C[C@@H](CC(=O)
    O)N)CN=C(N)N    		 (3S)-3-amino-6-[(diaminomethylidene)amino]hexanoic acid;
    BETA-HOMOARGININE
    23593 HR8
    CHEMBL1384687
    ZINC000000442484    		 6 C12 H16 Cl N O2 InChI=1S/C12H16ClNO2/c1-8
    (2)7-14-12(15)10-6-9(13)4
    -5-11(10)16-3/h4-6,8H,7H2
    ,1-3H3,(H,14,15);
    GSFUSGKNYXRUQM-UHFFFAOYSA-N    		 CC(C)CNC(=O)c1cc(ccc1OC)Cl; COc1ccc(Cl)c
    c1C(=O)NCC(C)C    		 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide
    23594 HR9 1 C17 H18 N2 O4 InChI=1S/C17H18N2O4/c20-1
    6(21)13-10-14(17(22)23)19
    -11-15(13)18-9-5-4-8-12-6
    -2-1-3-7-12/h1-3,6-7,10-1
    1,18H,4-5,8-9H2,(H,20,21)
    (H,22,23);
    QFSOXITYRWOMFC-UHFFFAOYSA-N    		 OC(=O)c1cc(C(O)=O)c(NCCCCc2ccccc2)cn1; c
    1ccc(cc1)CCCCNc2cnc(cc2C(=O)O)C(=O)O    		 5-(4-phenylbutylamino)pyridine-2,4-dicarboxylic acid
    23595 HRA
    CHEMBL4756476    		 1 C25 H23 Cl N4 O4 InChI=1S/C25H23ClN4O4/c26
    -21-10-17(34-16-4-2-1-3-5
    -16)8-9-19(21)23(32)20-11
    -27-24-22(20)25(29-14-28-
    24)30-15-6-7-18(12-31)33-
    13-15/h1-5,8-11,14-15,18,
    31H,6-7,12-13H2,(H2,27,28
    ,29,30)/t15-,18+/m1/s1;
    JSFCZQSJQXFJDS-QAPCUYQASA-N    		 c1ccc(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c
    3c(ncn4)NC5CCC(OC5)CO; OC[CH]1CC[CH](CO1
    )Nc2ncnc3[nH]cc(C(=O)c4ccc(Oc5ccccc5)cc4
    Cl)c23; OC[C@@H]1CC[C@H](CO1)Nc2ncnc3[nH
    ]cc(C(=O)c4ccc(Oc5ccccc5)cc4Cl)c23; c1cc
    c(cc1)Oc2ccc(c(c2)Cl)C(=O)c3c[nH]c4c3c(n
    cn4)N[C@@H]5CC[C@H](OC5)CO; C1CC(CO)OCC1
    Nc5c4c(C(c3ccc(Oc2ccccc2)cc3Cl)=O)cnc4nc
    n5    		 1,5-anhydro-2-{[5-(2-chloro-4-phenoxybenzene-1-carbonyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}-2,3,4-trideoxy-D-erythro-hexitol
    23596 HRB
    ZINC000016051929    		 1 C17 H27 N3 O5 InChI=1S/C17H27N3O5/c1-3-
    4-5-6-15-14(8-16(22)25-15
    )20-9-12(18-10-20)7-13(17
    (23)24)19-11(2)21/h9-10,1
    3-16,22H,3-8H2,1-2H3,(H,1
    9,21)(H,23,24)/t13-,14-,1
    5+,16+/m0/s1;
    INPAKWNFLOQYEI-CAOSSQGBSA-N    		 CCCCCC1C(CC(O1)O)n2cc(nc2)CC(C(=O)O)NC(=
    O)C; CCCCC[C@H]1O[C@@H](O)C[C@@H]1n2cnc(
    C[C@H](NC(C)=O)C(O)=O)c2; CCCCC[C@@H]1[C
    @H](C[C@@H](O1)O)n2cc(nc2)C[C@@H](C(=O)O
    )NC(=O)C; CCCCC[CH]1O[CH](O)C[CH]1n2cnc(
    C[CH](NC(C)=O)C(O)=O)c2; O=C(O)C(NC(=O)C
    )Cc1ncn(c1)C2C(OC(O)C2)CCCCC    		 N-ACETYL-1-[(2R,3S,5R)-5-HYDROXY-2-PENTYLTETRAHYDROFURAN-3-YL]-L-HISTIDINE
    23597 HRC
    CHEMBL2440208
    ZINC000000193455    		 3 C14 H15 N O3 S InChI=1S/C14H15NO3S/c1-10
    -8-12(16)9-11(2)14(10)15-
    19(17,18)13-6-4-3-5-7-13/
    h3-9,15-16H,1-2H3;
    GLDVWHQVGHPIFH-UHFFFAOYSA-N    		 Cc1cc(O)cc(C)c1N[S](=O)(=O)c2ccccc2; O=S
    (=O)(Nc1c(cc(O)cc1C)C)c2ccccc2; Cc1cc(cc
    (c1NS(=O)(=O)c2ccccc2)C)O    		 N-(4-hydroxy-2,6-dimethylphenyl)benzenesulfonamide
    23598 HRD
    ZINC000095921287    		 1 C11 H12 N6 O InChI=1S/C11H12N6O/c1-12-
    10-15-7-3-5-6(4-8(7)16-10
    )14-11(13-2)17-9(5)18/h3-
    4H,1-2H3,(H2,12,15,16)(H2
    ,13,14,17,18);
    YOTQNVNIJNKFAK-UHFFFAOYSA-N    		 CNC1=Nc2cc3nc(NC)[nH]c3cc2C(=O)N1; CNc1[
    nH]c2cc3c(cc2n1)N=C(NC3=O)NC; O=C2c3cc1n
    c(nc1cc3N=C(NC)N2)NC    		 2,6-bis(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
    23599 HRE
    CHEMBL3691779
    ZINC000206095052    		 4 C27 H25 Cl N8 O3 InChI=1S/C27H25ClN8O3/c1-
    14(2)22-20-21(33-36(22)19
    -13-31-27(34(3)4)32-25(19
    )39-5)26(38)35(18-10-17(2
    8)12-30-24(18)37)23(20)16
    -8-6-15(11-29)7-9-16/h6-1
    0,12-14,23H,1-5H3,(H,30,3
    7)/t23-/m0/s1;
    VFMRTUQQYDQOGC-QHCPKHFHSA-N    		 COc1nc(ncc1n2nc3C(=O)N([CH](c4ccc(cc4)C#
    N)c3c2C(C)C)C5=CC(=CNC5=O)Cl)N(C)C; COc1
    nc(ncc1n2nc3C(=O)N([C@@H](c4ccc(cc4)C#N)
    c3c2C(C)C)C5=CC(=CNC5=O)Cl)N(C)C; CC(C)c
    1c2c(nn1c3cnc(nc3OC)N(C)C)C(=O)N(C2c4ccc
    (cc4)C#N)C5=CC(=CNC5=O)Cl; CC(C)c1c2c(nn
    1c3cnc(nc3OC)N(C)C)C(=O)N([C@H]2c4ccc(cc
    4)C#N)C5=CC(=CNC5=O)Cl    		 4-[(4~{S})-5-(5-chloranyl-2-oxidanylidene-1~{H}-pyridin-3-yl)-2-[2-(dimethylamino)-4-methoxy-pyrimidin-5-yl]-6-oxidanylidene-3-propan-2-yl-4~{H}-pyrrolo[3,4-c]pyrazol-4-yl]benzenecarbonitrile
    23600 HRF 1 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c17-1
    3(18)10-6-11(14(19)20)16-
    8-12(10)15-7-9-4-2-1-3-5-
    9/h1-6,8,15H,7H2,(H,17,18
    )(H,19,20);
    FQCUGQSKLCNUQT-UHFFFAOYSA-N    		 c1ccc(cc1)CNc2cnc(cc2C(=O)O)C(=O)O; OC(=
    O)c1cc(C(O)=O)c(NCc2ccccc2)cn1    		 5-(benzylamino)pyridine-2,4-dicarboxylic acid
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

    • lydsfumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218