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  • 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 ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    22201 HBH
    CHEMBL1233239
    DB02411
    ZINC000014880333    		 2 C29 H40 N4 O7 S InChI=1S/C29H40N4O7S/c1-2
    0(2)14-15-33(41(38,39)23-
    7-4-3-5-8-23)19-26(34)24-
    17-21-10-12-22(13-11-21)4
    0-16-6-9-28(36)31-25(18-2
    7(30)35)29(37)32-24/h3-5,
    7-8,10-13,20,24-26,34H,6,
    9,14-19H2,1-2H3,(H2,30,35
    )(H,31,36)(H,32,37)/t24-,
    25-,26+/m0/s1;
    HOUHLOFMBSYNBO-KKUQBAQOSA-N    		 CC(C)CC[N@@](C[C@H]([C@@H]1Cc2ccc(cc2)OC
    CCC(=O)N[C@H](C(=O)N1)CC(=O)N)O)S(=O)(=O
    )c3ccccc3; CC(C)CCN(C[C@@H](O)[C@@H]1Cc2
    ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1)cc2
    )[S](=O)(=O)c3ccccc3; O=S(=O)(c1ccccc1)N
    (CCC(C)C)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(
    cc2)C3)CC(=O)N; CC(C)CCN(CC(C1Cc2ccc(cc2
    )OCCCC(=O)NC(C(=O)N1)CC(=O)N)O)S(=O)(=O)
    c3ccccc3; CC(C)CCN(C[CH](O)[CH]1Cc2ccc(O
    CCCC(=O)N[CH](CC(N)=O)C(=O)N1)cc2)[S](=O
    )(=O)c3ccccc3    		 2-[(8S,11S)-11-{(1R)-1-HYDROXY-2-[ISOPENTYL(PHENYLSULFONYL)AMINO]ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZABICYCLO[11.2.2]HEPTADECA-1(15),13,16-TRIEN-8-YL]ACETAMIDE;
    2-(11-{2-[BENZENESULFONYL-(3-METHYL-BUTYL)-AMINO]-1-HYDROXY-ETHYL}-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIEN-8-YL)-ACETAMIDE;
    INHIBITOR 2
    22202 HBI
    DB04400
    ZINC000018181336    		 132 C9 H13 N5 O3 InChI=1S/C9H13N5O3/c1-3(1
    5)6(16)4-2-11-7-5(12-4)8(
    17)14-9(10)13-7/h3,6,15-1
    6H,2H2,1H3,(H4,10,11,13,1
    4,17)/t3-,6-/m0/s1;
    FEMXZDUTFRTWPE-DZSWIPIPSA-N    		 CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O; C[C@@
    H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O;
    C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=
    O; O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N; C
    [CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O    		 7,8-DIHYDROBIOPTERIN
    22203 HBJ
    CHEMBL4162282    		 5 C26 H28 N4 O4 InChI=1S/C26H28N4O4/c1-18
    -4-12-22(13-5-18)27-24(31
    )17-30(16-19-6-8-20(9-7-1
    9)25(32)28-34)26(33)21-10
    -14-23(15-11-21)29(2)3/h4
    -15,34H,16-17H2,1-3H3,(H,
    27,31)(H,28,32);
    UEKPDDMOEDHDCS-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc2ccc(C)cc2
    )Cc3ccc(cc3)C(=O)NO; Cc1ccc(cc1)NC(=O)CN
    (Cc2ccc(cc2)C(=O)NO)C(=O)c3ccc(cc3)N(C)C
    ; C(c1ccc(cc1)CN(CC(Nc2ccc(C)cc2)=O)C(c3
    ccc(cc3)N(C)C)=O)(NO)=O    		 4-(dimethylamino)-N-{[4-(hydroxycarbamoyl)phenyl]methyl}-N-{2-[(4-methylphenyl)amino]-2-oxoethyl}benzamide
    22204 HBK
    ZINC000002018621    		 1 C9 H9 N O5 InChI=1S/C9H9NO5/c1-14-5-
    2-3-6-7(4-5)15-9(12)8(11)
    10(6)13/h2-4,9,12-13H,1H3
    /t9-/m0/s1;
    GDNZNIJPBQATCZ-VIFPVBQESA-N    		 O=C1N(O)c2c(OC1O)cc(OC)cc2; COc1ccc2N(O)
    C(=O)[C@@H](O)Oc2c1; COc1ccc2c(c1)OC(C(=
    O)N2O)O; COc1ccc2N(O)C(=O)[CH](O)Oc2c1;
    COc1ccc2c(c1)O[C@@H](C(=O)N2O)O    		 (2S)-2,4-dihydroxy-7-methoxy-2H-1,4-benzoxazin-3(4H)-one
    22205 HBL 0 C9 H13 N5 O3 InChI=1/C9H13N5O3/c1-3(15
    )6(16)4-2-11-7-5(12-4)8(1
    7)14-9(10)13-7/h3,6,15-16
    H,2H2,1H3,(H4,10,11,13,14
    ,17)/t3-,6-/m0/s1/f/h11,1
    4H,10H2;
    FEMXZDUTFRTWPE-UEMHKTSSDN    		 CC(C(C1=NC2=C(NC1)N=C(NC2=O)N)O)O; C[C@@
    H]([C@@H](C1=NC2=C(NC1)N=C(NC2=O)N)O)O;
    C[C@H](O)[C@H](O)C1=NC2=C(NC1)N=C(N)NC2=
    O; O=C1NC(=NC=2NCC(=NC1=2)C(O)C(O)C)N; C
    [CH](O)[CH](O)C1=NC2=C(NC1)N=C(N)NC2=O    		 7,8-DIHYDRO-L-BIOPTERIN
    22206 HBM
    CHEMBL436837
    ZINC000028950437    		 1 C23 H20 Cl2 N4 O4 S InChI=1S/C23H20Cl2N4O4S/c
    1-34(32,33)29-15-5-2-13(3
    -6-15)10-11-26-23(31)17-8
    -9-19(30)21-20(17)27-22(2
    8-21)16-7-4-14(24)12-18(1
    6)25/h2-9,12,29-30H,10-11
    H2,1H3,(H,26,31)(H,27,28);
    BFHQTAMNYUCFBP-UHFFFAOYSA-N    		 O=S(=O)(Nc1ccc(cc1)CCNC(=O)c2ccc(O)c3nc(
    nc23)c4ccc(Cl)cc4Cl)C; C[S](=O)(=O)Nc1cc
    c(CCNC(=O)c2ccc(O)c3nc([nH]c23)c4ccc(Cl)
    cc4Cl)cc1; CS(=O)(=O)Nc1ccc(cc1)CCNC(=O)
    c2ccc(c3c2[nH]c(n3)c4ccc(cc4Cl)Cl)O    		 2-(2,4-DICHLORO-PHENYL)-7-HYDROXY-1H-BENZOIMIDAZOLE-4-CARBOXYLIC ACID [2-(4-METHANESULFONYLAMINO-PHENYL)-ETHYL]-AMIDE;
    2-(2,4-DICHLOROPHENYL)-4-HYDROXY-N-(2-{4-[(METHYLSULFONYL)AMINO]PHENYL}ETHYL)-1H-BENZIMIDAZOLE-7-CARBOXAMIDE
    22207 HBN
    DB01938
    ZINC000008585585    		 2 C16 H16 N4 O InChI=1S/C16H16N4O/c17-15
    (8-14-9-18-10-19-14)16(21
    )20-13-6-5-11-3-1-2-4-12(
    11)7-13/h1-7,9-10,15H,8,1
    7H2,(H,18,19)(H,20,21)/t1
    5-/m1/s1;
    DKDILZBBFKZMRO-OAHLLOKOSA-N    		 c1ccc2cc(ccc2c1)NC(=O)C(Cc3cnc[nH]3)N; O
    =C(Nc2cc1ccccc1cc2)C(N)Cc3cncn3; N[CH](C
    c1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2; N[C@H](
    Cc1[nH]cnc1)C(=O)Nc2ccc3ccccc3c2    		 N-(2-NAPHTHYL)HISTIDINAMIDE;
    L-HISTIDINE BETA NAPHTHYLAMIDE
    22208 HBO
    DB02185
    ZINC000002018620    		 8 C9 H9 N O5 InChI=1S/C9H9NO5/c1-14-5-
    2-3-6-7(4-5)15-9(12)8(11)
    10(6)13/h2-4,9,12-13H,1H3
    /t9-/m1/s1;
    GDNZNIJPBQATCZ-SECBINFHSA-N    		 COc1ccc2c(c1)O[C@H](C(=O)N2O)O; O=C1N(O)
    c2c(OC1O)cc(OC)cc2; COc1ccc2N(O)C(=O)[C@
    H](O)Oc2c1; COc1ccc2c(c1)OC(C(=O)N2O)O;
    COc1ccc2N(O)C(=O)[CH](O)Oc2c1    		 2,4-DIHYDROXY-7-(METHYLOXY)-2H-1,4-BENZOXAZIN-3(4H)-ONE
    22209 HBP
    CHEMBL1187858
    ZINC000016052240    		 7 C19 H26 N4 O2 InChI=1S/C19H24N4O2/c24-2
    0-16-18-10-4-8-14-22(18)1
    2-6-2-1-3-7-13-23-15-9-5-
    11-19(23)17-21-25/h4-5,8-
    11,14-17H,1-3,6-7,12-13H2
    /p+2;
    NJSMUQMHXZRXQC-UHFFFAOYSA-P    		 O\N=C\c1[n+](cccc1)CCCCCCC[n+]2ccccc2\C=
    N\O; c1cc[n+](c(c1)C=NO)CCCCCCC[n+]2cccc
    c2C=NO; ON=Cc1cccc[n+]1CCCCCCC[n+]2ccccc
    2C=NO; c1cc[n+](c(c1)\C=N\O)CCCCCCC[n+]2
    ccccc2\C=N\O; O\N=C\c1cccc[n+]1CCCCCCC[n
    +]2ccccc2\C=N\O    		 1,7-HEPTYLENE-BIS-N,N'-SYN-2-PYRIDINIUMALDOXIME
    22210 HBQ
    CHEMBL301370
    DB07884
    ZINC000003916138    		 4 C14 H17 F N2 O3 InChI=1S/C14H17FN2O3/c1-4
    -11-13(18)16-10-6-5-9(15)
    7-12(10)17(11)14(19)20-8(
    2)3/h5-8,11H,4H2,1-3H3,(H
    ,16,18)/t11-/m0/s1;
    KELNNWMENBUHNS-NSHDSACASA-N    		 CC[C@H]1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F;
    CC[C@@H]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O;
    Fc1ccc2c(c1)N(C(=O)OC(C)C)C(C(=O)N2)CC;
    CCC1C(=O)Nc2ccc(cc2N1C(=O)OC(C)C)F; CC[
    CH]1N(C(=O)OC(C)C)c2cc(F)ccc2NC1=O    		 ISOPROPYL (2S)-2-ETHYL-7-FLUORO-3-OXO-3,4-DIHYDROQUINOXALINE-1(2H)-CARBOXYLATE
    22211 HBR
    DB04364
    ZINC000000895240    		 2 C4 H8 O2 InChI=1S/C4H8O2/c1-3(5)4(
    2)6/h3,5H,1-2H3/t3-/m1/s1;
    ROWKJAVDOGWPAT-GSVOUGTGSA-N    		 C[C@@H](O)C(C)=O; C[CH](O)C(C)=O; C[C@H]
    (C(=O)C)O; O=C(C)C(O)C; CC(C(=O)C)O    		 R,3-HYDROXYBUTAN-2-ONE
    22212 HBS
    DB02788
    ZINC000000895238    		 1 C4 H8 O2 InChI=1S/C4H8O2/c1-3(5)4(
    2)6/h3,5H,1-2H3/t3-/m0/s1;
    ROWKJAVDOGWPAT-VKHMYHEASA-N    		 C[C@@H](C(=O)C)O; C[CH](O)C(C)=O; O=C(C)
    C(O)C; C[C@H](O)C(C)=O; CC(C(=O)C)O    		 S,3-HYDROXYBUTAN-2-ONE
    22213 HBT
    ZINC000000687045    		 2 C17 H17 N3 O4 S InChI=1S/C17H17N3O4S/c1-9
    -6-7-11-13(8-9)25-17(14(1
    1)15(18)21)19-16(22)10-4-
    2-3-5-12(10)20(23)24/h2-5
    ,9H,6-8H2,1H3,(H2,18,21)(
    H,19,22)/t9-/m0/s1;
    OBHKTNMETRQPKN-VIFPVBQESA-N    		 CC1CCc2c(sc(c2C(=O)N)NC(=O)c3ccccc3[N+](
    =O)[O-])C1; C[C@H]1CCc2c(C1)sc(NC(=O)c3c
    cccc3[N+]([O-])=O)c2C(N)=O; C[CH]1CCc2c(
    C1)sc(NC(=O)c3ccccc3[N+]([O-])=O)c2C(N)=
    O; C[C@H]1CCc2c(sc(c2C(=O)N)NC(=O)c3cccc
    c3[N+](=O)[O-])C1; [O-][N+](=O)c1ccccc1C
    (=O)Nc2sc3c(c2C(=O)N)CCC(C3)C    		 (6S)-6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
    22214 HBU
    DB01832
    ZINC000003581252    		 2 C5 H9 O5 P InChI=1S/C5H9O5P/c1-11(9,
    10)3-4(6)2-5(7)8/h2-3H2,1
    H3,(H,7,8)(H,9,10);
    MZTALSPOBPYJPG-UHFFFAOYSA-N    		 C[P](O)(=O)CC(=O)CC(O)=O; O=C(CC(=O)O)CP
    (=O)(O)C; C[P@](=O)(CC(=O)CC(=O)O)O; CP(
    =O)(CC(=O)CC(=O)O)O; C[P@](O)(=O)CC(=O)C
    C(O)=O    		 4-[HYDROXY-[METHYL-PHOSPHINOYL]]-3-OXO-BUTANOIC ACID
    22215 HBV 1 C20 H27 F N2 O2 InChI=1S/C20H27FN2O2/c1-2
    3(11-17-3-2-16(7-18(17)21
    )19(24)22-25)12-20-8-13-4
    -14(9-20)6-15(5-13)10-20/
    h2-3,7,13-15,25H,4-6,8-12
    H2,1H3,(H,22,24)/t13-,14+
    ,15-,20-;
    IGZQZELTOHAHNW-PVGDPBLGSA-N    		 CN(Cc1ccc(cc1F)C(=O)NO)CC23CC4CC(C2)CC(C
    4)C3; C(C13CC2CC(C1)CC(C2)C3)N(C)Cc4c(F)
    cc(C(=O)NO)cc4; CN(Cc1ccc(cc1F)C(=O)NO)C
    C23CC4CC(CC(C4)C2)C3    		 3-fluoro-N-hydroxy-4-[(methyl{[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]decan-1-yl]methyl}amino)methyl]benzamide;
    Bavarostat
    22216 HBW
    CHEMBL4787298    		 2 C26 H22 Cl2 F3 N5 O4 S InChI=1S/C26H22Cl2F3N5O4S
    /c1-32-25(37)18-5-3-10-36
    (18)41(38,39)21-8-7-17(27
    )16(23(21)28)13-40-20-6-2
    -4-15-19(35-11-9-33-14-35
    )12-22(26(29,30)31)34-24(
    15)20/h2,4,6-9,11-12,14,1
    8H,3,5,10,13H2,1H3,(H,32,
    37)/t18-/m0/s1;
    YPZVBDHGFDAMKP-SFHVURJKSA-N    		 CNC(=O)C1CCCN1S(=O)(=O)c2ccc(c(c2Cl)COc3
    cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl; CNC(=O
    )[CH]1CCCN1[S](=O)(=O)c2ccc(Cl)c(COc3ccc
    c4c(cc(nc34)C(F)(F)F)n5ccnc5)c2Cl; CNC(=
    O)[C@@H]1CCCN1[S](=O)(=O)c2ccc(Cl)c(COc3
    cccc4c(cc(nc34)C(F)(F)F)n5ccnc5)c2Cl; CN
    C(=O)[C@@H]1CCCN1S(=O)(=O)c2ccc(c(c2Cl)C
    Oc3cccc4c3nc(cc4n5ccnc5)C(F)(F)F)Cl    		 (2~{S})-1-[2,4-bis(chloranyl)-3-[[4-imidazol-1-yl-2-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-~{N}-methyl-pyrrolidine-2-carboxamide
    22217 HBX
    CHEMBL15972
    ZINC000000895145    		 57 C7 H6 O InChI=1S/C7H6O/c8-6-7-4-2
    -1-3-5-7/h1-6H;
    HUMNYLRZRPPJDN-UHFFFAOYSA-N    		 O=Cc1ccccc1; c1ccc(cc1)C=O benzaldehyde
    22218 HBY
    CHEMBL430488
    DB07885
    ZINC000003870431    		 4 C15 H20 N2 O3 S2 InChI=1S/C15H20N2O3S2/c1-
    9(2)20-15(18)17-12-7-10(1
    9-3)5-6-11(12)16-14(21)13
    (17)8-22-4/h5-7,9,13H,8H2
    ,1-4H3,(H,16,21)/t13-/m0/
    s1;
    GWKIPRVERALPRD-ZDUSSCGKSA-N    		 CC(C)OC(=O)N1c2cc(ccc2NC(=S)[C@@H]1CSC)O
    C; CC(C)OC(=O)N1c2cc(ccc2NC(=S)C1CSC)OC;
    COc1ccc2NC(=S)[CH](CSC)N(C(=O)OC(C)C)c2
    c1; S=C2Nc1c(cc(OC)cc1)N(C(=O)OC(C)C)C2C
    SC; COc1ccc2NC(=S)[C@H](CSC)N(C(=O)OC(C)
    C)c2c1    		 (S)-4-ISOPROPOXYCARBONYL-6-METHOXY-3-METHYLTHIOMETHYL-3,4-DIHYDROQUINOXALIN-2(1H)-THIONE;
    HBY 097
    22219 HBZ
    CHEMBL552199
    ZINC000038965468    		 1 C14 H18 N2 O8 InChI=1S/C14H18N2O8/c17-5
    -8-9(19)10(20)11(21)13(24
    -8)16-14(23)15-12(22)6-1-
    3-7(18)4-2-6/h1-4,8-11,13
    ,17-21H,5H2,(H2,15,16,22,
    23)/t8-,9-,10+,11-,13-/m1
    /s1;
    YHOJJLBUFKEFNL-BZNQNGANSA-N    		 c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)O; c1cc(ccc1C(=
    O)NC(=O)NC2C(C(C(C(O2)CO)O)O)O)O; OC[CH]
    1O[CH](NC(=O)NC(=O)c2ccc(O)cc2)[CH](O)[C
    H](O)[CH]1O; O=C(NC1OC(C(O)C(O)C1O)CO)NC
    (=O)c2ccc(O)cc2; OC[C@H]1O[C@@H](NC(=O)N
    C(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]
    1O    		 N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine;
    N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;
    N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-D-glucosylamine;
    N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-glucosylamine
    22220 HC0 1 C6 H7 Fe2 O7 S2 InChI=1S/5CHO.CO.2Fe.H2O.
    2S/c6*1-2;;;;;/h5*1H;;;;1
    H2;;;
    RBPZXAJPLJEKDC-UHFFFAOYSA-N    		 O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)(C=O)C2=O
    )C=O; C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=
    O)(C=O)[OH2])(C=O)C=O    		 2 IRON/2 SULFUR/6 CARBONYL/1 WATER INORGANIC CLUSTER
    22221 HC1 6 C5 H8 Fe2 O7 S2 InChI=1S/4CHO.CO.2Fe.2H2O
    .2S/c5*1-2;;;;;;/h4*1H;;;
    ;2*1H2;;;
    DXKOXSKJHMBSFW-UHFFFAOYSA-N    		 O.O.O=C[Fe]12(S[Fe](S1)(C=O)(C=O)C2=O)C=
    O; C(=O)[Fe]123(C(=O)[Fe]1(S2)(S3)(C=O)(
    C=O)[OH2])(C=O)[OH2]    		 2 IRON/2 SULFUR/5 CARBONYL/2 WATER INORGANIC CLUSTER
    22222 HC2
    CHEMBL1233249
    DB04704
    ZINC000004096811    		 2 C27 H46 O2 InChI=1S/C27H46O2/c1-18(2
    )7-6-14-27(5,29)24-11-10-
    22-21-9-8-19-17-20(28)12-
    15-25(19,3)23(21)13-16-26
    (22,24)4/h8,18,20-24,28-2
    9H,6-7,9-17H2,1-5H3/t20-,
    21-,22-,23-,24-,25-,26-,2
    7+/m0/s1;
    MCKLJFJEQRYRQT-MGNSQDQZSA-N    		 CC(C)CCC[C@](C)([C@H]1CC[C@@H]2[C@@]1(CC
    [C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)
    C)O; CC(C)CCC[C](C)(O)[CH]1CC[CH]2[CH]3C
    C=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C; CC(C
    )CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O
    )C)C)O; OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2
    )C)CC3)CC4)C)(C)CCCC(C)C; CC(C)CCC[C@@](
    C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O
    )CC[C@]4(C)[C@H]3CC[C@]12C    		 20-HYDROXYCHOLESTEROL;
    (3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL
    22223 HC3
    CHEMBL169046
    DB04705
    ZINC000005751264    		 16 C27 H46 O2 InChI=1S/C27H46O2/c1-18(7
    -6-14-25(2,3)29)22-10-11-
    23-21-9-8-19-17-20(28)12-
    15-26(19,4)24(21)13-16-27
    (22,23)5/h8,18,20-24,28-2
    9H,6-7,9-17H2,1-5H3/t18-,
    20+,21+,22-,23+,24+,26+,2
    7-/m1/s1;
    INBGSXNNRGWLJU-ZHHJOTBYSA-N    		 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H]3
    CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
    ; C[C@H](CCCC(C)(C)O)[C@H]1CC[C@@H]2[C@@
    ]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4
    )O)C)C; CC(CCCC(C)(C)O)C1CCC2C1(CCC3C2CC
    =C4C3(CCC(C4)O)C)C; C[CH](CCCC(C)(C)O)[C
    H]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH
    ]3CC[C]12C; OC(C)(C)CCCC(C4C3(C(C1C(C2(C
    (=CC1)CC(O)CC2)C)CC3)CC4)C)C    		 25-HYDROXYCHOLESTEROL;
    (3BETA)-CHOLEST-5-ENE-3,25-DIOL
    22224 HC4
    CHEMBL66879
    DB04066
    ZINC000000039811    		 0 C9 H8 O3 InChI=1S/C9H8O3/c10-8-4-1
    -7(2-5-8)3-6-9(11)12/h1-6
    ,10H,(H,11,12)/b6-3+;
    NGSWKAQJJWESNS-ZZXKWVIFSA-N    		 c1cc(ccc1C=CC(=O)O)O; OC(=O)\C=C\c1ccc(O
    )cc1; OC(=O)C=Cc1ccc(O)cc1; c1cc(ccc1\C=
    C\C(=O)O)O; O=C(O)/C=C/c1ccc(O)cc1    		 4'-HYDROXYCINNAMIC ACID;
    PARA-COUMARIC ACID
    22225 HC5
    CHEMBL1233250
    ZINC000002517065    		 2 C13 H26 N O4 InChI=1S/C13H25NO4/c1-5-6
    -7-8-13(17)18-11(9-12(15)
    16)10-14(2,3)4/h11H,5-10H
    2,1-4H3/p+1/t11-/m1/s1;
    VVPRQWTYSNDTEA-LLVKDONJSA-O    		 CCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C; CCCCC
    C(=O)O[CH](CC(O)=O)C[N+](C)(C)C; CCCCCC(
    =O)O[C@H](CC(=O)O)C[N+](C)(C)C; O=C(O)CC
    (OC(=O)CCCCC)C[N+](C)(C)C; CCCCCC(=O)O[C
    @H](CC(O)=O)C[N+](C)(C)C    		 (R)-3-CARBOXY-2-(HEXANOYLOXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM;
    HEXANOYLCARNITINE
    22226 HC6
    CHEMBL1229238
    ZINC000001606984    		 7 C24 H34 N2 O4 InChI=1S/C24H34N2O4/c1-25
    (2)13-15-29-23(27,17-25)2
    1-9-5-19(6-10-21)20-7-11-
    22(12-8-20)24(28)18-26(3,
    4)14-16-30-24/h5-12,27-28
    H,13-18H2,1-4H3/q+2/t23-,
    24-/m1/s1;
    JIWUESGGKYLPPG-DNQXCXABSA-N    		 C[N+]1(CCO[C@](C1)(c2ccc(cc2)c3ccc(cc3)[
    C@]4(C[N+](CCO4)(C)C)O)O)C; C[N+]1(C)CCO
    [C](O)(C1)c2ccc(cc2)c3ccc(cc3)[C]4(O)C[N
    +](C)(C)CCO4; C[N+]1(C)CCO[C@](O)(C1)c2c
    cc(cc2)c3ccc(cc3)[C@@]4(O)C[N+](C)(C)CCO
    4; C[N+]1(CCOC(C1)(c2ccc(cc2)c3ccc(cc3)C
    4(C[N+](CCO4)(C)C)O)O)C; OC1(OCC[N+](C)(
    C)C1)c2ccc(cc2)c3ccc(cc3)C4(O)OCC[N+](C)
    (C)C4    		 (2S,2'S)-2,2'-biphenyl-4,4'-diylbis(2-hydroxy-4,4-dimethylmorpholin-4-ium)
    22227 HC7
    ZINC000058632499    		 2 C24 H35 N2 O7 P InChI=1S/C24H33N2O7P/c1-2
    5(2,14-16-33-34(29,30)31)
    17-23(27)21-7-5-19(6-8-21
    )20-9-11-22(12-10-20)24(2
    8)18-26(3,4)13-15-32-24/h
    5-12,28H,13-18H2,1-4H3/p+
    2/t24-/m1/s1;
    MERLSFHNUMSODQ-XMMPIXPASA-P    		 C[N+](C)(CCO[P](O)(O)=O)CC(=O)c1ccc(cc1)
    c2ccc(cc2)[C@@]3(O)C[N+](C)(C)CCO3; C[N+
    ](C)(CCO[P](O)(O)=O)CC(=O)c1ccc(cc1)c2cc
    c(cc2)[C]3(O)C[N+](C)(C)CCO3; C[N+]1(CCO
    C(C1)(c2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(
    C)CCOP(=O)(O)O)O)C; C[N+]1(CCO[C@](C1)(c
    2ccc(cc2)c3ccc(cc3)C(=O)C[N+](C)(C)CCOP(
    =O)(O)O)O)C; O=P(O)(O)OCC[N+](C)(C)CC(=O
    )c1ccc(cc1)c2ccc(cc2)C3(O)OCC[N+](C)(C)C
    3    		 (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium;
    2-{4-[4-(2-{dimethyl[2-(phosphonatooxy)ethyl]azaniumyl}acetyl)phenyl]phenyl}-2-hydroxy-4,4-dimethylmorpholin-4-ium
    22228 HC8
    ZINC000058632501    		 2 C16 H16 O5 InChI=1S/C16H16O5/c1-8(17
    )4-10-5-11-6-12(21-3)7-13
    (19)15(11)16(20)14(10)9(2
    )18/h5-7,19-20H,4H2,1-3H3;
    BONGITCDOWZART-UHFFFAOYSA-N    		 CC(=O)Cc1cc2cc(cc(c2c(c1C(=O)C)O)O)OC; C
    Oc1cc(O)c2c(O)c(C(C)=O)c(CC(C)=O)cc2c1;
    O=C(C)Cc1cc2c(c(O)c1C(=O)C)c(O)cc(OC)c2    		 1-(3-acetyl-4,5-dihydroxy-7-methoxynaphthalen-2-yl)propan-2-one
    22229 HC9
    CHEMBL422904
    ZINC000004096816    		 7 C27 H46 O2 InChI=1S/C27H46O2/c1-17(2
    )6-11-25(29)18(3)22-9-10-
    23-21-8-7-19-16-20(28)12-
    14-26(19,4)24(21)13-15-27
    (22,23)5/h7,17-18,20-25,2
    8-29H,6,8-16H2,1-5H3/t18-
    ,20-,21-,22+,23-,24-,25+,
    26-,27+/m0/s1;
    RZPAXNJLEKLXNO-GFKLAVDKSA-N    		 CC(C)CCC(C(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(
    C4)O)C)C)O; CC(C)CC[CH](O)[CH](C)[CH]1CC
    [CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[
    C]12C; C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[
    C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C)C
    )[C@@H](CCC(C)C)O; CC(C)CC[C@@H](O)[C@@H
    ](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)
    CC[C@]4(C)[C@H]3CC[C@]12C    		 (3alpha,8alpha,22R)-cholest-5-ene-3,22-diol
    22230 HCA
    ZINC000001532902    		 0 C7 H10 O7 InChI=1S/C7H10O7/c8-4(9)1
    -2-7(14,6(12)13)3-5(10)11
    /h14H,1-3H2,(H,8,9)(H,10,
    11)(H,12,13)/t7-/m1/s1;
    XKJVEVRQMLKSMO-SSDOTTSWSA-N    		 OC(=O)CC[C@@](O)(CC(O)=O)C(O)=O; O=C(O)C
    C(O)(C(=O)O)CCC(=O)O; OC(=O)CC[C](O)(CC(
    O)=O)C(O)=O; C(CC(CC(=O)O)(C(=O)O)O)C(=O
    )O; C(C[C@@](CC(=O)O)(C(=O)O)O)C(=O)O    		 3-HYDROXY-3-CARBOXY-ADIPIC ACID
    22231 HCB 13 C60 H84 Co N13 O15 P InChI=1S/C60H86N13O15P.Co
    /c1-28(87-89(84,85)88-51-
    39(26-74)86-55(50(51)83)7
    3-27-68-37-20-31(75)10-14
    -38(37)73)25-67-47(82)18-
    19-57(6)35(21-44(64)79)54
    -60(9)59(8,24-46(66)81)34
    (13-17-43(63)78)49(72-60)
    30(3)53-58(7,23-45(65)80)
    32(11-15-41(61)76)36(69-5
    3)22-40-56(4,5)33(12-16-4
    2(62)77)48(70-40)29(2)52(
    57)71-54;/h10,14,20,22,27
    -28,32-35,39,50-51,54-55,
    74,83H,11-13,15-19,21,23-
    26H2,1-9H3,(H16,61,62,63,
    64,65,66,67,69,70,71,72,7
    5,76,77,78,79,80,81,82,84
    ,85);/q;+4/p-2/t28-,32-,3
    3-,34-,35+,39-,50-,51-,54
    -,55+,57-,58+,59+,60+;/m1
    ./s1;
    LQBVMYRJXRYHOO-NCVPRIERSA-L    		 CC1=C2[C@]([C@H]([C@H]3N2[Co]45[N+]6=C1[
    C@H](C(C6=CC7=[N+]4C(=C(C8=[N+]5[C@@]3([
    C@@]([C@@H]8CCC(=O)N)(C)CC(=O)N)C)C)[C@@
    ]([C@@H]7CCC(=O)N)(C)CC(=O)N)(C)C)CCC(=O
    )N)CC(=O)N)(C)CCC(=O)NC[C@@H](C)O[P@@](=
    O)([O-])O[C@@H]9[C@H](O[C@@H]([C@@H]9O)n
    1cnc2c1ccc(c2)O)CO; C[C@H](CNC(=O)CC[C@]
    1(C)[C@@H](CC(N)=O)[C@H]2N3C1=C(C)C4=[N+
    ]5C(=CC6=[N+]7C(=C(C)C8=[N+]([C@]2(C)[C@
    @](C)(CC(N)=O)[C@@H]8CCC(N)=O)[Co@@]357)
    [C@@](C)(CC(N)=O)[C@@H]6CCC(N)=O)C(C)(C)
    [C@@H]4CCC(N)=O)O[P]([O-])(=O)O[C@H]9[C@
    @H](O)[C@H](O[C@@H]9CO)n%10cnc%11cc(O)cc
    c%10%11; CC1=C2C(C(C3N2[Co]45[N+]6=C1C(C
    (C6=CC7=[N+]4C(=C(C8=[N+]5C3(C(C8CCC(=O)
    N)(C)CC(=O)N)C)C)C(C7CCC(=O)N)(C)CC(=O)N
    )(C)C)CCC(=O)N)CC(=O)N)(C)CCC(=O)NCC(C)O
    P(=O)([O-])OC9C(OC(C9O)n1cnc2c1ccc(c2)O)
    CO; C[CH](CNC(=O)CC[C]1(C)[CH](CC(N)=O)[
    CH]2N3C1=C(C)C4=[N+]5C(=CC6=[N+]7C(=C(C)
    C8=[N+]([C]2(C)[C](C)(CC(N)=O)[CH]8CCC(N
    )=O)[Co]357)[C](C)(CC(N)=O)[CH]6CCC(N)=O
    )C(C)(C)[CH]4CCC(N)=O)O[P]([O-])(=O)O[CH
    ]9[CH](O)[CH](O[CH]9CO)n%10cnc%11cc(O)cc
    c%10%11    		 5-HYDROXYBENZIMIDAZOLYLCOBAMIDE
    22232 HCC
    CHEMBL129795
    DB03285
    ZINC000003869608    		 5 C15 H12 O4 InChI=1S/C15H12O4/c16-11-
    4-1-10(2-5-11)3-8-14(18)1
    3-7-6-12(17)9-15(13)19/h1
    -9,16-17,19H/b8-3+;
    DXDRHHKMWQZJHT-FPYGCLRLSA-N    		 O=C(c1ccc(O)cc1O)\C=C\c2ccc(O)cc2; c1cc(
    ccc1C=CC(=O)c2ccc(cc2O)O)O; Oc1ccc(cc1)/
    C=C/C(=O)c2ccc(O)cc2O; Oc1ccc(cc1)C=CC(=
    O)c2ccc(O)cc2O    		 2',4,4'-TRIHYDROXYCHALCONE
    22233 HCD
    CHEMBL173898
    ZINC000005758870    		 6 C27 H46 O2 InChI=1S/C27H46O2/c1-18(2
    )7-6-14-27(5,29)24-11-10-
    22-21-9-8-19-17-20(28)12-
    15-25(19,3)23(21)13-16-26
    (22,24)4/h8,18,20-24,28-2
    9H,6-7,9-17H2,1-5H3/t20-,
    21-,22-,23-,24-,25-,26-,2
    7-/m0/s1;
    MCKLJFJEQRYRQT-APGJSSKUSA-N    		 CC(C)CCC[C@@](C)([C@H]1CC[C@@H]2[C@@]1(C
    C[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)O)C
    )C)O; CC(C)CCC[C](C)(O)[CH]1CC[CH]2[CH]3
    CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C; CC(
    C)CCCC(C)(C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)
    O)C)C)O; OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC
    2)C)CC3)CC4)C)(C)CCCC(C)C; CC(C)CCC[C@](
    C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O
    )CC[C@]4(C)[C@H]3CC[C@]12C    		 (3alpha,8alpha)-cholest-5-ene-3,20-diol;
    20S-hydroxycholesterol
    22234 HCE
    ZINC000095920642    		 3 C16 H24 N6 O3 S InChI=1S/C16H24N6O3S/c17-
    11(16(24)25)1-2-26-7-10-5
    -22(6-12(10)23)4-9-3-19-1
    4-13(9)20-8-21-15(14)18/h
    3,8,10-12,19,23H,1-2,4-7,
    17H2,(H,24,25)(H2,18,20,2
    1)/t10-,11+,12+/m1/s1;
    DQWJHDQQDUJDLQ-WOPDTQHZSA-N    		 c1c(c2c([nH]1)c(ncn2)N)CN3CC(C(C3)O)CSCC
    C(C(=O)O)N; c1c(c2c([nH]1)c(ncn2)N)CN3C[
    C@@H]([C@H](C3)O)CSCC[C@@H](C(=O)O)N; N[
    CH](CCSC[CH]1CN(C[CH]1O)Cc2c[nH]c3c(N)nc
    nc23)C(O)=O; N[C@@H](CCSC[C@H]1CN(C[C@@H
    ]1O)Cc2c[nH]c3c(N)ncnc23)C(O)=O; O=C(O)C
    (N)CCSCC3CN(Cc2cnc1c2ncnc1N)CC3O    		 {(3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-hydroxypyrrolidin-3-yl}-L-methionine;
    homocysteine-DADMe-Immucillin-A
    22235 HCG
    CHEMBL1233255
    ZINC000006184856    		 2 C11 H19 N3 O6 S InChI=1S/C11H19N3O6S/c12-
    6(11(19)20)2-1-3-8(15)14-
    7(5-21)10(18)13-4-9(16)17
    /h6-7,21H,1-5,12H2,(H,13,
    18)(H,14,15)(H,16,17)(H,1
    9,20)/t6-,7-/m0/s1;
    XFOOPZIJVVDYHI-BQBZGAKWSA-N    		 C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NCC(=O)O;
    N[CH](CCCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(
    O)=O; N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)NC
    C(O)=O)C(O)=O; C(C[C@@H](C(=O)O)N)CC(=O)
    N[C@@H](CS)C(=O)NCC(=O)O; O=C(NCC(=O)O)C
    (NC(=O)CCCC(C(=O)O)N)CS    		 DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-GLYCINE
    22236 HCH 2 C9 H8 B O5 S InChI=1S/C9H8BO5S/c11-9(1
    2)6-3-1-2-5-4-7(10(13,14)
    15)16-8(5)6/h1-4,13-15H,(
    H,11,12)/q-1;
    RPQQLQILJXVZRU-UHFFFAOYSA-N    		 OC(=O)c1cccc2cc(sc12)[B-](O)(O)O; [B-](c
    1cc2cccc(c2s1)C(=O)O)(O)(O)O    		 (7-carboxy-1-benzothiophen-2-yl)-tris(oxidanyl)boranuide
    22237 HCI
    CHEMBL851
    DB02024
    ZINC000000154564    		 31 C9 H10 O2 InChI=1S/C9H10O2/c10-9(11
    )7-6-8-4-2-1-3-5-8/h1-5H,
    6-7H2,(H,10,11);
    XMIIGOLPHOKFCH-UHFFFAOYSA-N    		 O=C(O)CCc1ccccc1; c1ccc(cc1)CCC(=O)O; OC
    (=O)CCc1ccccc1    		 HYDROCINNAMIC ACID;
    3PP;
    3-PHENYLPROPIONIC ACID
    22238 HCJ
    CHEMBL4283963    		 1 C20 H15 F3 N2 O3 InChI=1S/C20H15F3N2O3/c21
    -20(22,23)15-3-1-2-14(10-
    15)13-4-6-16(7-5-13)27-12
    -17-11-25-9-8-18(26)24-19
    (25)28-17/h1-10,17H,11-12
    H2/t17-/m0/s1;
    AYYWUDDPGRDIQB-KRWDZBQOSA-N    		 c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OCC3CN4C=C
    C(=O)N=C4O3; FC(F)(F)c1cccc(c1)c2ccc(OC[
    C@@H]3CN4C=CC(=O)N=C4O3)cc2; C2N1C=CC(N=
    C1OC2COc3ccc(cc3)c4cc(ccc4)C(F)(F)F)=O;
    c1cc(cc(c1)C(F)(F)F)c2ccc(cc2)OC[C@@H]3C
    N4C=CC(=O)N=C4O3; FC(F)(F)c1cccc(c1)c2cc
    c(OC[CH]3CN4C=CC(=O)N=C4O3)cc2    		 (2S)-2-({[3'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]oxy}methyl)-2,3-dihydro-7H-[1,3]oxazolo[3,2-a]pyrimidin-7-one
    22239 HCK
    CHEMBL2087023
    ZINC000084730445    		 1 C18 H14 N2 O4 S InChI=1S/C18H14N2O4S/c1-2
    4-14-8-6-12(7-9-14)16(21)
    20-18-19-10-15(25-18)11-2
    -4-13(5-3-11)17(22)23/h2-
    10H,1H3,(H,22,23)(H,19,20
    ,21);
    UPIVZLFKYMNZDG-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)Nc2ncc(s2)c3ccc(cc3)C(=
    O)O; COc1ccc(cc1)C(=O)Nc2sc(cn2)c3ccc(cc
    3)C(O)=O    		 4-[2-[(4-methoxyphenyl)carbonylamino]-1,3-thiazol-5-yl]benzoic acid
    22240 HCL
    ZINC000026579639    		 0 C8 H8 Cl N O4 InChI=1S/C8H8ClNO4/c9-6-4
    (7(10)8(13)14)1-3(11)2-5(
    6)12/h1-2,7,11-12H,10H2,(
    H,13,14)/t7-/m0/s1;
    DFGDRLKNGUTURO-ZETCQYMHSA-N    		 N[C@H](C(O)=O)c1cc(O)cc(O)c1Cl; c1c(cc(c
    (c1C(C(=O)O)N)Cl)O)O; N[CH](C(O)=O)c1cc(
    O)cc(O)c1Cl; c1c(cc(c(c1[C@@H](C(=O)O)N)
    Cl)O)O    		 (2S)-2-azanyl-2-[2-chloranyl-3,5-bis(oxidanyl)phenyl]ethanoic acid
    22241 HCM 1 C5 H11 N O2 S2 InChI=1S/C5H11NO2S2/c1-9-
    10-3-2-4(6)5(7)8/h4H,2-3,
    6H2,1H3,(H,7,8)/t4-/m0/s1;
    FBHYROPXAAGPRS-BYPYZUCNSA-N    		 CSSCC[CH](N)C(O)=O; CSSCC[C@@H](C(=O)O)N
    ; CSSCC[C@H](N)C(O)=O; CSSCCC(C(=O)O)N;
    O=C(O)C(N)CCSSC    		 (2S)-2-amino-4-(methyldisulfanyl)butanoic acid;
    S-methylsulfanyl-homocystein
    22242 HCN 1 C7 H10 Fe2 N2 O5 S2 InChI=1S/C2H6OS2.2CN.2CHO
    .CO.2Fe.H2O/c4-1-3-2-5;5*
    1-2;;;/h4-5H,1-2H2;;;2*1H
    ;;;;1H2;
    GIQCNDUJZDHMQH-UHFFFAOYSA-N    		 O.O=C[Fe]12(C#N)[SH]3COC[SH]1[Fe]3(C=O)(
    C#N)C2=O; C1OCS2[Fe]3(S1[Fe]2(C3=O)(C=O)
    (C#N)[OH2])(C=O)C#N    		 2 IRON/2 SULFUR/3 CARBONYL/2 CYANIDE/WATER/METHYLETHER CLUSTER
    22243 HCO
    DB02949    		 1 C34 H34 Fe N4 O5 InChI=1S/C34H34N4O5.Fe/c1
    -7-21-16(2)26-14-31-34(20
    (6)39)19(5)27(38-31)12-24
    -17(3)22(8-10-32(40)41)29
    (36-24)15-30-23(9-11-33(4
    2)43)18(4)25(37-30)13-28(
    21)35-26;/h7,12-15,21,34,
    39H,1,6,8-11H2,2-5H3,(H,4
    0,41)(H,42,43);/q-4;+4/b2
    4-12-,28-13-,29-15-,31-14
    -;/t21-,34-;/m1./s1;
    JCECKEHNPXVLGS-SJHVGCKASA-N    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(
    C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C)C)C
    (=C)O)C)C)CCC(=O)O; CC1=C2C=C3[CH](C(O)=
    C)C(=C4C=C5N6C(=Cc7n8c(C=C([CH]1C=C)N2[F
    e]68N34)c(C)c7CCC(O)=O)C(=C5C)CCC(O)=O)C
    ; CC1=C2C=C3[C@@H](C(O)=C)C(=C4C=C5N6C(=
    Cc7n8c(C=C([C@@H]1C=C)N2[Fe@]68N34)c(C)c
    7CCC(O)=O)C(=C5C)CCC(O)=O)C; O=C(O)CCC1=
    C(C2=CC4=C(C(C3=CC5=C(C)C(\C=C)C6=Cc8c(c
    (c7C=C1N2[Fe](N34)(N56)n78)CCC(=O)O)C)C(
    \O)=C)C)C    		 2-ACETYL-PROTOPORPHYRIN IX
    22244 HCP
    ZINC000038182187    		 1 C13 H20 N2 O8 P2 InChI=1S/C13H20N2O8P2/c1-
    9-12(16)11(10(6-14-9)8-23
    -25(20,21)22)7-15-13(24(1
    7,18)19)4-2-3-5-13/h6-7,1
    6H,2-5,8H2,1H3,(H2,17,18,
    19)(H2,20,21,22)/b15-7+;
    NPYNJFSRGFRPCR-VIZOYTHASA-N    		 O=P(O)(O)C2(/N=C/c1c(cnc(c1O)C)COP(=O)(O
    )O)CCCC2; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2
    (CCCC2)P(=O)(O)O)O; Cc1ncc(CO[P](O)(O)=O
    )c(C=NC2(CCCC2)[P](O)(O)=O)c1O    		 1-[((1E)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYLENE)AMINO]CYCLOPENTYLPHOSPHONIC ACID
    22245 HCQ 2 C9 H11 B N O3 S InChI=1S/C9H11BNO3S/c11-5
    -6-1-2-8-7(3-6)4-9(15-8)1
    0(12,13)14/h1-4,12-14H,5,
    11H2/q-1;
    MOEIXULQWWCKOY-UHFFFAOYSA-N    		 NCc1ccc2sc(cc2c1)[B-](O)(O)O; [B-](c1cc2
    cc(ccc2s1)CN)(O)(O)O    		 [5-(aminomethyl)-1-benzothiophen-2-yl]-tris(oxidanyl)boranuide
    22246 HCR
    CHEMBL497834
    DB04706
    ZINC000005758832    		 1 C27 H46 O2 InChI=1S/C27H46O2/c1-17(2
    )7-6-8-18(3)21-9-10-22-25
    -23(12-14-27(21,22)5)26(4
    )13-11-20(28)15-19(26)16-
    24(25)29/h16-18,20-25,28-
    29H,6-15H2,1-5H3/t18-,20+
    ,21-,22+,23+,24+,25+,26+,
    27-/m1/s1;
    OYXZMSRRJOYLLO-KGZHIOMZSA-N    		 CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3[CH](O)C
    =C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C; C[C@H
    ](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]
    3[C@H]2[C@H](C=C4[C@@]3(CC[C@@H](C4)O)C)
    O)C; CC(C)CCCC(C)C1CCC2C1(CCC3C2C(C=C4C3
    (CCC(C4)O)C)O)C; CC(C)CCC[C@@H](C)[C@H]1
    CC[C@H]2[C@@H]3[C@@H](O)C=C4C[C@@H](O)CC
    [C@]4(C)[C@H]3CC[C@]12C; OC3C=C4C(C2C3C1
    C(C(C(C)CCCC(C)C)CC1)(C)CC2)(CCC(O)C4)C    		 7-HYDROXYCHOLESTEROL;
    (3BETA,7BETA)-CHOLEST-5-ENE-3,7-DIOL
    22247 HCS
    CHEMBL469662
    DB04422
    ZINC000000895077    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c5-3(1-
    2-8)4(6)7/h3,8H,1-2,5H2,(
    H,6,7)/t3-/m0/s1;
    FFFHZYDWPBMWHY-VKHMYHEASA-N    		 N[C@@H](CCS)C(O)=O; O=C(O)C(N)CCS; C(CS)
    [C@@H](C(=O)O)N; N[CH](CCS)C(O)=O; C(CS)
    C(C(=O)O)N    		 2-AMINO-4-MERCAPTO-BUTYRIC ACID;
    L-Homocysteine
    22248 HCT
    ZINC000001586744    		 6 C7 H10 O6 InChI=1S/C7H10O6/c8-5(9)2
    -1-4(7(12)13)3-6(10)11/h4
    H,1-3H2,(H,8,9)(H,10,11)(
    H,12,13)/t4-/m1/s1;
    LOGBRYZYTBQBTB-SCSAIBSYSA-N    		 OC(=O)CC[C@H](CC(O)=O)C(O)=O; C(CC(=O)O)
    [C@H](CC(=O)O)C(=O)O; OC(=O)CC[CH](CC(O)
    =O)C(O)=O; C(CC(=O)O)C(CC(=O)O)C(=O)O; O
    =C(O)CCC(C(=O)O)CC(=O)O    		 (2R)-butane-1,2,4-tricarboxylic acid
    22249 HCU 2 C10 H16 N5 O6 P InChI=1S/C10H16N5O6P/c11-
    10-13-8-7(9(17)14-10)12-5
    -15(8)2-1-6(3-16)4-21-22(
    18,19)20/h5-6,16H,1-4H2,(
    H2,18,19,20)(H3,11,13,14,
    17)/t6-/m1/s1;
    BLURMGIBVBRPQT-ZCFIWIBFSA-N    		 c1nc2c(n1CC[C@H](CO)COP(=O)(O)O)NC(=NC2=
    O)N; c1nc2c(n1CCC(CO)COP(=O)(O)O)NC(=NC2
    =O)N; NC1=NC(=O)c2ncn(CC[CH](CO)CO[P](O)
    (O)=O)c2N1; NC1=NC(=O)c2ncn(CC[C@H](CO)C
    O[P](O)(O)=O)c2N1    		 [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate;
    Penciclovir phosphate
    22250 HCV
    CHEMBL56877
    ZINC000029556438    		 1 C15 H27 N3 O6 S InChI=1S/C15H27N3O6S/c1-8
    (2)12(15(23)24)18-13(20)1
    0(6-7-25)17-11(19)5-3-4-9
    (16)14(21)22/h8-10,12,25H
    ,3-7,16H2,1-2H3,(H,17,19)
    (H,18,20)(H,21,22)(H,23,2
    4)/t9-,10-,12+/m0/s1;
    WDPVNDRNBJNETA-JBLDHEPKSA-N    		 CC(C)[C@@H](NC(=O)[C@H](CCS)NC(=O)CCC[C@
    H](N)C(O)=O)C(O)=O; CC(C)[C@H](C(=O)O)NC
    (=O)[C@H](CCS)NC(=O)CCC[C@@H](C(=O)O)N;
    CC(C)C(C(=O)O)NC(=O)C(CCS)NC(=O)CCCC(C(=
    O)O)N; O=C(NC(C(=O)O)C(C)C)C(NC(=O)CCCC(
    C(=O)O)N)CCS; CC(C)[CH](NC(=O)[CH](CCS)N
    C(=O)CCC[CH](N)C(O)=O)C(O)=O    		 N-[(5S)-5-amino-5-carboxypentanoyl]-L-homocysteyl-D-valine;
    Delta-L-alpha-aminoadipoyl-L-homocysteinyl-D-valine
    22251 HCW
    ZINC000095920527    		 1 C23 H28 N10 O InChI=1S/C23H28N10O/c1-15
    (30-32-21-24-11-12-25-21)
    17-3-7-19(8-4-17)28-23(34
    )29-20-9-5-18(6-10-20)16(
    2)31-33-22-26-13-14-27-22
    /h3-10H,11-14H2,1-2H3,(H2
    ,24,25,32)(H2,26,27,33)(H
    2,28,29,34)/b30-15+,31-16
    +;
    IGZOGYCMSGAQFP-KUGLDEIXSA-N    		 C/C(=N\NC1=NCCN1)/c2ccc(cc2)NC(=O)Nc3ccc
    (cc3)/C(=N/NC4=NCCN4)/C; CC(=N\NC1=NCCN1
    )/c2ccc(NC(=O)Nc3ccc(cc3)\C(C)=N\NC4=NCC
    N4)cc2; CC(=NNC1=NCCN1)c2ccc(NC(=O)Nc3cc
    c(cc3)C(C)=NNC4=NCCN4)cc2; CC(=NNC1=NCCN
    1)c2ccc(cc2)NC(=O)Nc3ccc(cc3)C(=NNC4=NCC
    N4)C; O=C(Nc2ccc(\C(=N\NC1=NCCN1)C)cc2)N
    c4ccc(/C(=N/NC3=NCCN3)C)cc4    		 1,3-BIS{4-[(1E)-N-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)ETHANEHYDRAZONOYL]PHENYL}UREA
    22252 HCX
    ZINC000058633229    		 0 C7 H13 O4 P InChI=1S/C7H13O4P/c8-7-2-
    4-1-5(4)6(7)3-11-12(9)10/
    h4-8,12H,1-3H2,(H,9,10)/t
    4-,5-,6+,7+/m1/s1;
    MHTBERPCQUPUKA-JWXFUTCRSA-N    		 C1C2C1C(C(C2)O)COP(=O)O; O=P(OCC1C2CC2CC
    1O)O; O[C@H]1C[C@H]2C[C@H]2[C@@H]1CO[P@H
    ](O)=O; O[CH]1C[CH]2C[CH]2[CH]1CO[PH](O)
    =O; C1[C@H]2[C@@H]1[C@@H]([C@H](C2)O)CO[
    P@@H](=O)O    		 (SOUTH) BICYCLO[3.1.0]HEXANE
    22253 HCY
    CHEMBL389621
    DB00741
    ZINC000013540519    		 28 C21 H30 O5 InChI=1S/C21H30O5/c1-19-7
    -5-13(23)9-12(19)3-4-14-1
    5-6-8-21(26,17(25)11-22)2
    0(15,2)10-16(24)18(14)19/
    h9,14-16,18,22,24,26H,3-8
    ,10-11H2,1-2H3/t14-,15-,1
    6-,18+,19-,20-,21-/m0/s1;
    JYGXADMDTFJGBT-VWUMJDOOSA-N    		 CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)C
    O)O)C)O; C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC
    [C](O)(C(=O)CO)[C]4(C)C[CH](O)[CH]23; C[
    C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)
    (C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23; C[C@
    ]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@
    ]4([C@H]3CC[C@@]4(C(=O)CO)O)C)O; O=C(CO)
    C3(O)C2(CC(O)C4C1(C(=CC(=O)CC1)CCC4C2CC3
    )C)C    		 (11alpha,14beta)-11,17,21-trihydroxypregn-4-ene-3,20-dione;
    CORTISOL
    22254 HCZ
    CHEMBL435
    DB00999
    ZINC000000896569    		 13 C7 H8 Cl N3 O4 S2 InChI=1S/C7H8ClN3O4S2/c8-
    4-1-5-7(2-6(4)16(9,12)13)
    17(14,15)11-3-10-5/h1-2,1
    0-11H,3H2,(H2,9,12,13);
    JZUFKLXOESDKRF-UHFFFAOYSA-N    		 c1c2c(cc(c1Cl)S(=O)(=O)N)S(=O)(=O)NCN2;
    O=S(=O)(c1c(Cl)cc2c(c1)S(=O)(=O)NCN2)N;
    N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1Cl    		 6-chloro-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    22255 HD0 0 C10 H12 N4 O4 InChI=1S/C10H12N4O4/c11-6
    -2-8(15)14(9(6)16)7(10(17
    )18)1-5-3-12-4-13-5/h3-4,
    6-7H,1-2,11H2,(H,12,13)(H
    ,17,18)/t6-,7-/m0/s1;
    AHZGEUMSNGPQLH-BQBZGAKWSA-N    		 N[C@H]1CC(=O)N([C@@H](Cc2[nH]cnc2)C(O)=O
    )C1=O; c1c([nH]cn1)C[C@@H](C(=O)O)N2C(=O
    )C[C@@H](C2=O)N; O=C(O)C(N1C(=O)CC(C1=O)
    N)Cc2ncnc2; c1c([nH]cn1)CC(C(=O)O)N2C(=O
    )CC(C2=O)N; N[CH]1CC(=O)N([CH](Cc2[nH]cn
    c2)C(O)=O)C1=O    		 (2S)-2-[(3S)-3-amino-2,5-dioxopyrrolidin-1-yl]-3-(1H-imidazol-5-yl)propanoic acid
    22256 HD1 2 C24 H36 N4 O2 S InChI=1S/C24H36N4O2S/c1-3
    -10-31-23-19(4-5-20(25-23
    )28-8-6-27(2)7-9-28)22(29
    )26-21-17-11-16-12-18(21)
    15-24(30,13-16)14-17/h4-5
    ,16-18,21,30H,3,6-15H2,1-
    2H3,(H,26,29)/t16-,17-,18
    +,21-,24-;
    HCCPSOBZLRHGQN-OREAVBJWSA-N    		 CCCSc1nc(ccc1C(=O)NC2[CH]3CC4C[CH]2CC(O)
    (C4)C3)N5CCN(C)CC5; CCCSc1c(ccc(n1)N2CCN
    (CC2)C)C(=O)NC3[C@@H]4CC5C[C@H]3CC(C4)(C
    5)O; CCCSc1c(ccc(n1)N2CCN(CC2)C)C(=O)NC3
    C4CC5CC3CC(C5)(C4)O; CCCSc1nc(ccc1C(=O)N
    C2[C@H]3CC4C[C@@H]2CC(O)(C4)C3)N5CCN(C)C
    C5; O=C(NC3C2CC1CC3CC(O)(C1)C2)c4ccc(nc4
    SCCC)N5CCN(C)CC5    		 6-(4-methylpiperazin-1-yl)-N-[(1R,3S)-5-oxidanyl-2-adamantyl]-2-propylsulfanyl-pyridine-3-carboxamide
    22257 HD2 9 C24 H34 N4 O3 InChI=1S/C24H34N4O3/c29-2
    2(27-20-16-7-14-8-17(20)1
    1-24(30,9-14)10-16)19-12-
    25-23(26-18-5-6-31-13-18)
    28-21(19)15-3-1-2-4-15/h1
    2,14-18,20,30H,1-11,13H2,
    (H,27,29)(H,25,26,28)/t14
    -,16-,17+,18-,20-,24-/m0/
    s1;
    VMTZDIHMLVWUQZ-GXLRSYGRSA-N    		 OC12CC3C[C@H](C1)C(NC(=O)c4cnc(N[C@H]5CC
    OC5)nc4C6CCCC6)[C@@H](C3)C2; OC12CC3C[CH
    ](C1)C(NC(=O)c4cnc(N[CH]5CCOC5)nc4C6CCCC
    6)[CH](C3)C2; O=C(NC3C2CC1CC3CC(O)(C1)C2
    )c4cnc(nc4C5CCCC5)NC6CCOC6; c1c(c(nc(n1)
    NC2CCOC2)C3CCCC3)C(=O)NC4C5CC6CC4CC(C6)(
    C5)O; c1c(c(nc(n1)N[C@H]2CCOC2)C3CCCC3)C
    (=O)NC4[C@@H]5CC6C[C@H]4CC(C5)(C6)O    		 4-cyclopentyl-N-[(1S,3R)-5-oxidanyl-2-adamantyl]-2-[[(3S)-oxolan-3-yl]amino]pyrimidine-5-carboxamide
    22258 HD3
    CHEMBL519587
    ZINC000005425329    		 2 C11 H14 N4 O5 InChI=1S/C11H14N4O5/c12-1
    1-13-8-4(9(19)14-11)1-2-1
    5(8)10-7(18)6(17)5(3-16)2
    0-10/h1-2,5-7,10,16-18H,3
    H2,(H3,12,13,14,19)/t5-,6
    -,7-,10-/m1/s1;
    JRYMOPZHXMVHTA-DAGMQNCNSA-N    		 c1cn(c2c1C(=O)NC(=N2)N)C3C(C(C(O3)CO)O)O
    ; c1cn(c2c1C(=O)NC(=N2)N)[C@H]3[C@@H]([C
    @@H]([C@H](O3)CO)O)O; NC1=Nc2n(ccc2C(=O)
    N1)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O; NC
    1=Nc2n(ccc2C(=O)N1)[CH]3O[CH](CO)[CH](O)
    [CH]3O    		 2-azanyl-7-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
    22259 HD4 9 C13 H26 N O13 P InChI=1S/C13H26NO13P/c1-5
    (17)14-9-12(21)11(20)8(3-
    16)27-13(9)26-7(2-15)10(1
    9)6(18)4-25-28(22,23)24/h
    6-13,15-16,18-21H,2-4H2,1
    H3,(H,14,17)(H2,22,23,24)
    /t6-,7+,8+,9+,10-,11+,12+
    ,13+/m0/s1;
    UTDJSTSCOBYMHN-SKCKNYEVSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    O[C@H](CO)[C@H]([C@H](COP(=O)(O)O)O)O)CO
    )O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)
    O[CH]1O[CH](CO)[CH](O)[CH](O)CO[P](O)(O)
    =O; CC(=O)NC1C(C(C(OC1OC(CO)C(C(COP(=O)(
    O)O)O)O)CO)O)O; CC(=O)N[C@@H]1[C@@H](O)[
    C@H](O)[C@@H](CO)O[C@H]1O[C@H](CO)[C@@H]
    (O)[C@@H](O)CO[P](O)(O)=O; C1(OC(CO)C(O)
    C(COP(O)(O)=O)O)C(NC(C)=O)C(C(C(O1)CO)O)
    O    		 4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol;
    4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol;
    4-O-[2-acetamido-2-deoxy-beta-D-glucosyl]-1-O-phosphono-D-ribitol;
    4-O-[2-acetamido-2-deoxy-D-glucosyl]-1-O-phosphono-D-ribitol;
    4-O-[2-acetamido-2-deoxy-glucosyl]-1-O-phosphono-D-ribitol
    22260 HD5
    CHEMBL4466682    		 2 C9 H10 B N O2 S InChI=1S/C9H10BNO2S/c11-5
    -6-1-2-8-7(3-6)4-9(14-8)1
    0(12)13/h1-4,12-13H,5,11H
    2;
    AMRAXCBFZWIMEQ-UHFFFAOYSA-N    		 NCc1ccc2sc(cc2c1)B(O)O; B(c1cc2cc(ccc2s1
    )CN)(O)O    		 [5-(aminomethyl)-1-benzothiophen-2-yl]boronic acid
    22261 HD6
    ZINC000584905606    		 5 C37 H68 N7 O16 P3 S InChI=1S/C37H68N7O16P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-21-64-22-20-
    39-28(45)18-19-40-35(48)3
    2(47)37(2,3)24-57-63(54,5
    5)60-62(52,53)56-23-27-31
    (59-61(49,50)51)30(46)36(
    58-27)44-26-43-29-33(38)4
    1-25-42-34(29)44/h25-27,3
    0-32,36,46-47H,4-24H2,1-3
    H3,(H,39,45)(H,40,48)(H,5
    2,53)(H,54,55)(H2,38,41,4
    2)(H2,49,50,51)/t27-,30-,
    31-,32-,36-/m1/s1;
    HCCBNDDJPKNSLM-HNOUMJPASA-N    		 CCCCCCCCCCCCCCCCSCCNC(=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)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)O; CCCCCCCCCCCCCCCCSCCNC(=O)CCNC(=O)
    [C@@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=
    O)n2cnc3c(N)ncnc23; CCCCCCCCCCCCCCCCSCCN
    C(=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; CCCCCCCCCCCCCC
    CCSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP
    (=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(
    =O)(O)O)O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{S})-4-[[3-(2-hexadecylsulfanylethylamino)-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate
    22262 HD9
    CHEMBL406852
    ZINC000005998706    		 2 C11 H15 N5 O5 InChI=1S/C11H15N5O5/c1-20
    -9-5-8(14-11(12)15-9)16(3
    -13-5)10-7(19)6(18)4(2-17
    )21-10/h3-4,6-7,10,17-19H
    ,2H2,1H3,(H2,12,14,15)/t4
    -,6-,7-,10-/m1/s1;
    IXOXBSCIXZEQEQ-KQYNXXCUSA-N    		 COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)CO)O)O;
    COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@
    H]([C@H](O3)CO)O)O; COc1nc(N)nc2n(cnc12)
    [CH]3O[CH](CO)[CH](O)[CH]3O; COc1nc(N)nc
    2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]
    3O    		 (2R,3R,4S,5R)-2-(2-azanyl-6-methoxy-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
    22263 HDA
    CHEMBL331373
    DB02109
    ZINC000001482078    		 23 C3 H5 N O4 InChI=1S/C3H5NO4/c5-2-4(8
    )1-3(6)7/h2,8H,1H2,(H,6,7
    );
    URJHVPKUWOUENU-UHFFFAOYSA-N    		 ON(CC(O)=O)C=O; O=C(O)CN(O)C=O; C(C(=O)O
    )N(C=O)O    		 HADACIDIN
    22264 HDB
    DB07887
    ZINC000169748505    		 1 C11 H16 B N3 O3 InChI=1S/C11H16BN3O3/c13-
    11(14)15-5-8-1-3-9(4-2-8)
    12-17-7-10(6-16)18-12/h1-
    4,10,16H,5-7H2,(H4,13,14,
    15)/t10-/m1/s1;
    IIZOWFNBOXPJES-SNVBAGLBSA-N    		 NC(=N)NCc1ccc(cc1)B2OC[CH](CO)O2; [H]/N=
    C(/N)\NCc1ccc(cc1)B2OC[C@H](O2)CO; OCC1O
    B(OC1)c2ccc(cc2)CNC(=[N@H])N; [H]N=C(N)N
    Cc1ccc(cc1)B2OCC(O2)CO; NC(=N)NCc1ccc(cc
    1)B2OC[C@@H](CO)O2    		 (R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)BENZYL)GUANIDINE
    22265 HDC
    DB03192
    ZINC000096095216    		 3 C31 H54 N7 O18 P3 S InChI=1S/C31H54N7O18P3S/c
    1-4-5-6-7-8-9-19(39)14-22
    (41)60-13-12-33-21(40)10-
    11-34-29(44)26(43)31(2,3)
    16-53-59(50,51)56-58(48,4
    9)52-15-20-25(55-57(45,46
    )47)24(42)30(54-20)38-18-
    37-23-27(32)35-17-36-28(2
    3)38/h17-20,24-26,30,39,4
    2-43H,4-16H2,1-3H3,(H,33,
    40)(H,34,44)(H,48,49)(H,5
    0,51)(H2,32,35,36)(H2,45,
    46,47)/t19-,20-,24-,25-,2
    6+,30-/m1/s1;
    HIVSMYZAMUNFKZ-PDQACDDGSA-N    		 O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C
    3OP(=O)(O)O)CC(O)CCCCCCC; CCCCCCC[CH](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; CCCC
    CCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)OP(=O)(O)O)O)O; CCCCCCC[C@H](CC(=O
    )SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)CO[P@](=
    O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([C@H]([C
    @@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)O;
    CCCCCCC[C@@H](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    		 3R-HYDROXYDECANOYL-COENZYME A;
    3R-HYDROXYDECANOYL-COA
    22266 HDD 194 C34 H32 Fe N4 O5 InChI=1S/C34H32N4O5.Fe/c1
    -7-20-17(3)23-13-24-19(5)
    22(9-10-31(39)40)28(37-24
    )16-30-34(12-11-32(41)43-
    34)33(6,42)29(38-30)15-27
    -21(8-2)18(4)25(36-27)14-
    26(20)35-23;/h7-8,13-16,4
    2H,1-2,9-12H2,3-6H3,(H,39
    ,40);/q-4;+4/b23-13-,26-1
    4-,29-15-,30-16-;/t33-,34
    +;/m0./s1;
    UMGOPAWIGKFTRK-QQDQPIDJSA-N    		 Cc1c2n3c(c1CCC(=O)O)C=C4[C@]5(CCC(=O)O5)
    [C@@](C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C2)C(
    =C(C9=C8)C=C)C)C)C=C)(C)O; Cc1c(CCC(O)=O
    )c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe]468
    )C(=C7C=C)C)c(C)c5C=C)[C](C)(O)[C]39CCC(
    =O)O9; Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5n6c(C
    =C7N8C(=Cc1n2[Fe@]468)C(=C7C=C)C)c(C)c5C
    =C)[C@](C)(O)[C@@]39CCC(=O)O9; O=C(O)CCc
    1c(c2C=C7C(=C(\C=C)C6=Cc5c(c(\C=C)c4C=C9
    N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(
    O)C)C)C)C; Cc1c2n3c(c1CCC(=O)O)C=C4C5(CC
    C(=O)O5)C(C6=Cc7c(c(c8n7[Fe]3(N64)N9C(=C
    2)C(=C(C9=C8)C=C)C)C)C=C)(C)O    		 CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE;
    HEME
    22267 HDE 40 C34 H38 Fe N4 O5 InChI=1S/C34H38N4O5.Fe/c1
    -7-20-17(3)23-13-27-21(8-
    2)18(4)25(37-27)15-29-33(
    6,42)34(12-11-32(41)43-34
    )30(38-29)16-28-22(9-10-3
    1(39)40)19(5)24(36-28)14-
    26(20)35-23;/h15-16,42H,7
    -14H2,1-6H3,(H,39,40);/q-
    4;+4/b29-15-,30-16-;/t33-
    ,34+;/m0./s1;
    SQSYUADQFVTXKU-CAMYIWQSSA-N    		 CCc1c(c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C
    =C8N6C(=C5)[C@@]9([C@@]8(C)O)CCC(=O)O9)C
    )CC)C2)CCC(=O)O)C)C; CCc1c(C)c2Cc3n4c(C=
    C5[N@]6C(=Cc7n8c(Cc1n2[Fe@@]468)c(C)c7CC
    C(O)=O)[C@]9(CCC(=O)O9)[C@@]5(C)O)c(C)c3
    CC; CCc1c(C)c2Cc3n4c(C=C5[N]6C(=Cc7n8c(C
    c1n2[Fe]468)c(C)c7CCC(O)=O)[C]9(CCC(=O)O
    9)[C]5(C)O)c(C)c3CC; O=C(O)CCc9c(c4n6c9C
    =C8N5C(=Cc1c(c(c3n1[Fe]56n2c(c(c(c2C3)C)
    CC)C4)CC)C)C(O)(C)C87OC(=O)CC7)C; CCc1c(
    c2n3c1Cc4c(c(c5n4[Fe]36n7c(c(c(c7C=C8N6C
    (=C5)C9(C8(C)O)CCC(=O)O9)C)CC)C2)CCC(=O)
    O)C)C    		 CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE 17R, 18S
    22268 HDF
    ZINC000103544532    		 8 C16 H17 N3 O7 InChI=1S/C16H17N3O7/c20-6
    -12(23)13(24)11(22)5-19-1
    0-4-8(21)2-1-7(10)3-9-14(
    19)17-16(26)18-15(9)25/h1
    -4,11-13,20-24H,5-6H2,(H,
    18,25,26)/t11-,12+,13+/m1
    /s1;
    AUEILLWDYUBWCM-AGIUHOORSA-N    		 c1cc2c(cc1O)N(C3=NC(=O)NC(=O)C3=C2)C[C@H
    ]([C@@H]([C@H](CO)O)O)O; O=C1C=3C(=NC(=O
    )N1)N(c2c(ccc(O)c2)C=3)CC(O)C(O)C(O)CO;
    OC[CH](O)[CH](O)[CH](O)CN1c2cc(O)ccc2C=C
    3C(=O)NC(=O)N=C13; c1cc2c(cc1O)N(C3=NC(=
    O)NC(=O)C3=C2)CC(C(C(CO)O)O)O; OC[C@H](O
    )[C@@H](O)[C@H](O)CN1c2cc(O)ccc2C=C3C(=O
    )NC(=O)N=C13    		 8-HYDROXY-10-(D-RIBO-2,3,4,5-TETRAHYDROXYPENTYL)-5-DEAZAISOALLOXAZINE
    22269 HDG 2 C32 H42 N8 O5 InChI=1S/C32H42N8O5/c1-44
    -23-10-7-20(8-11-23)13-14
    -36-31(43)24(33)12-9-22(1
    7-35-16-21-5-3-2-4-6-21)1
    5-25-27(41)28(42)32(45-25
    )40-19-39-26-29(34)37-18-
    38-30(26)40/h2-8,10-11,18
    -19,22,24-25,27-28,32,35,
    41-42H,9,12-17,33H2,1H3,(
    H,36,43)(H2,34,37,38)/t22
    -,24+,25+,27+,28+,32+/m0/
    s1;
    ZLHYSNFCYFOANJ-DVTMEHRLSA-N    		 COc1ccc(cc1)CCNC(=O)[C@@H](CC[C@@H](C[C@
    @H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N
    )O)O)CNCc5ccccc5)N; COc1ccc(CCNC(=O)[CH]
    (N)CC[CH](CNCc2ccccc2)C[CH]3O[CH]([CH](O
    )[CH]3O)n4cnc5c(N)ncnc45)cc1; COc1ccc(cc
    1)CCNC(=O)C(CCC(CC2C(C(C(O2)n3cnc4c3ncnc
    4N)O)O)CNCc5ccccc5)N; COc1ccc(CCNC(=O)[C
    @H](N)CC[C@H](CNCc2ccccc2)C[C@H]3O[C@H](
    [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)cc1; C
    (CNCc1ccccc1)(CC2C(O)C(C(O2)n3cnc4c3ncnc
    4N)O)CCC(C(=O)NCCc5ccc(OC)cc5)N    		 (2R,5S)-2-amino-6-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-5-[(benzylamino)methyl]-N-[2-(4-methoxyphenyl)ethyl]hexanamide (non-preferred name);
    (R)-SKI-72
    22270 HDH
    CHEMBL124267
    ZINC000000122698    		 5 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-9-7(
    11)5-1-3-6(10)4-2-5/h1-4,
    10H,8H2,(H,9,11);
    ZMZGIVVRBMFZSG-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NN)O; NNC(=O)c1ccc(O)cc1 4-oxidanylbenzohydrazide;
    4-hydroxybenzoic acid hydrazide
    22271 HDI
    CHEMBL211769
    DB07888
    ZINC000100036051    		 6 C12 H13 N O4 InChI=1S/C12H13NO4/c1-16-
    12(15)7-10-6-11(13-17-10)
    8-2-4-9(14)5-3-8/h2-5,10,
    14H,6-7H2,1H3/t10-/m1/s1;
    AIXMJTYHQHQJLU-SNVBAGLBSA-N    		 COC(=O)C[CH]1CC(=NO1)c2ccc(O)cc2; COC(=O
    )C[C@H]1CC(=NO1)c2ccc(O)cc2; COC(=O)CC1C
    C(=NO1)c2ccc(cc2)O; O=C(OC)CC2ON=C(c1ccc
    (O)cc1)C2; COC(=O)C[C@H]1CC(=NO1)c2ccc(c
    c2)O    		 3-(4-HYDROXYPHENYL)-4,5-DIHYDRO-5-ISOXAZOLE-ACETIC ACID METHYL ESTER
    22272 HDJ 14 C18 H15 F3 N2 InChI=1S/C18H15F3N2/c1-10
    -6-13(20)17(14(21)7-10)11
    -2-4-12(5-3-11)18-15(8-19
    )23-16(18)9-22/h2-7,15-16
    ,18,23H,8H2,1H3/t15-,16-,
    18+/m0/s1;
    OZFKPHFHTNQIQS-XYJFISCASA-N    		 Cc1cc(c(c(c1)F)c2ccc(cc2)[C@@H]3[C@@H](N
    [C@H]3C#N)CF)F; Cc1cc(c(c(c1)F)c2ccc(cc2
    )C3C(NC3C#N)CF)F; Cc1cc(F)c(c(F)c1)c2ccc
    (cc2)[C@@H]3[C@H](CF)N[C@H]3C#N; c3c(F)c
    (c2ccc(C1C(CF)NC1C#N)cc2)c(cc3C)F; Cc1cc
    (F)c(c(F)c1)c2ccc(cc2)[CH]3[CH](CF)N[CH]
    3C#N    		 (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile
    22273 HDL
    ZINC000006416219    		 2 C5 H9 N O7 InChI=1S/C5H9NO7/c7-1(3(9
    )5(11)12)2(8)4(10)6-13/h1
    -3,7-9,13H,(H,6,10)(H,11,
    12)/t1-,2+,3+/m1/s1;
    DMGBHBFPSRKPBV-LAMMAJBHSA-N    		 ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O; ONC(
    =O)[C@@H](O)[C@@H](O)[C@H](O)C(O)=O; O=C
    (NO)C(O)C(O)C(O)C(=O)O; C(C(C(=O)NO)O)(C
    (C(=O)O)O)O; [C@@H]([C@@H](C(=O)NO)O)([C
    @@H](C(=O)O)O)O    		 D-arabinohydroxamic acid;
    D-arabinohydroxamate
    22274 HDM
    DB04009    		 1 C36 H36 Fe N4 O4 InChI=1S/C36H36N4O4.Fe/c1
    -9-23-19(3)27-15-28-21(5)
    25(11-13-35(41)43-7)33(39
    -28)18-34-26(12-14-36(42)
    44-8)22(6)30(40-34)17-32-
    24(10-2)20(4)29(38-32)16-
    31(23)37-27;/h9-10,15-18H
    ,1-2,11-14H2,3-8H3;/q-4;+
    4/b27-15-,28-15-,29-16-,3
    0-17-,31-16-,32-17-,33-18
    -,34-18-;;
    BKKVXUGDBLTOLY-YPFLCKFZSA-N    		 Cc1c2n3c(c1CCC(=O)OC)C=C4C(=C(C5=Cc6c(c(
    c7n6[Fe]3(N54)N8C(=C2)C(=C(C8=C7)C=C)C)C
    )C=C)C)CCC(=O)OC; COC(=O)CCc1c(C)c2C=C3N
    4C(=Cc5n6c(C=C7N8C(=Cc1n2[Fe]468)C(=C7C)
    CCC(=O)OC)c(C=C)c5C)C(=C3C)C=C; COC(=O)C
    Cc1c(C)c2C=C3N4C(=Cc5n6c(C=C7N8C(=Cc1n2[
    Fe@@]468)C(=C7C)CCC(=O)OC)c(C=C)c5C)C(=C
    3C)C=C; O=C(OC)CCc4c(c2C=C8C(=C(\C=C)C7=
    Cc6c(c(c5C=C1C(=C(C=3N1[Fe](n2c4C=3)(n56
    )N78)CCC(=O)OC)C)\C=C)C)C)C    		 DIMETHYL PROPIONATE ESTER HEME
    22275 HDN
    DB04361    		 1 C H4 N2 InChI=1S/CH4N2/c1-3-2/h2H
    ,1H3/b3-2-;
    JYXPWUYLZPYOAH-IHWYPQMZSA-N    		 [N@H]=NC; CN=N METHYLHYDRAZINE
    22276 HDO 1 C12 H24 O2 InChI=1S/C12H24O2/c1-2-3-
    4-5-6-7-9-12(14)10-8-11-1
    3/h13H,2-11H2,1H3;
    ZWRNUBJKJQOMRO-UHFFFAOYSA-N    		 C(CCC(CCCCCCCC)=O)O; CCCCCCCCC(=O)CCCO 1-hydroxydodecan-4-one
    22277 HDP 0 C12 H17 N2 O7 P InChI=1S/C12H17N2O7P/c1-7
    -5-14(12(17)13-11(7)16)9-
    3-2-8(10(15)4-9)6-21-22(1
    8,19)20/h2-3,5,8-10,15H,4
    ,6H2,1H3,(H,13,16,17)(H2,
    18,19,20)/t8-,9-,10+/m1/s
    1;
    PIQIDTLVJACCCC-BBBLOLIVSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(C=C2)COP(=O)(O)
    O)O; CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@
    H](C=C2)COP(=O)(O)O)O; O=P(O)(O)OCC2C=CC
    (N1C=C(C(=O)NC1=O)C)CC2O; CC1=CN([C@H]2C
    [C@H](O)[C@@H](CO[P](O)(O)=O)C=C2)C(=O)N
    C1=O; CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(
    O)=O)C=C2)C(=O)NC1=O    		 [(1S,6S)-6-HYDROXY-4-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)CYCLOHEX-2-EN-1-YL]METHYL DIHYDROGEN PHOSPHATE
    22278 HDQ 3 C14 H29 B N3 O5 InChI=1S/C14H29BN3O5/c16-
    14(13(19)20)10-18(9-12-5-
    1-2-7-17-12)8-11(14)4-3-6
    -15(21,22)23/h11-12,17,21
    -23H,1-10,16H2,(H,19,20)/
    q-1/t11-,12-,14-/m0/s1;
    UAQSNVVPOJZDTG-OBJOEFQTSA-N    		 [B-](CCCC1CN(CC1(C(=O)O)N)CC2CCCCN2)(O)(
    O)O; [B-](CCC[C@H]1CN(C[C@]1(C(=O)O)N)C[
    C@@H]2CCCCN2)(O)(O)O; N[C@]1(CN(C[C@@H]2
    CCCCN2)C[C@@H]1CCC[B-](O)(O)O)C(O)=O; N[
    C]1(CN(C[CH]2CCCCN2)C[CH]1CCC[B-](O)(O)O
    )C(O)=O    		 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-1-[[(2~{S})-piperidin-2-yl]methyl]pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
    22279 HDR 1 C16 H34 O2 S InChI=1S/C16H34O2S/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-19(17)18/h2-16H2
    ,1H3,(H,17,18);
    HBTBNXFVJYRYGI-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCS(O)=O; CCCCCCCCCCCCCCCC
    [S@](=O)O; CCCCCCCCCCCCCCCCS(=O)O    		 HEXADECANE-1-SULFINIC ACID
    22280 HDS
    CHEMBL1208309
    DB02776
    ZINC000006845885    		 10 C16 H34 O3 S InChI=1S/C16H34O3S/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-20(17,18)19/h2-1
    6H2,1H3,(H,17,18,19);
    SSILHZFTFWOUJR-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCS(=O)(=O)O; CCCCCCCCCCCC
    CCCC[S](O)(=O)=O; O=S(=O)(O)CCCCCCCCCCCC
    CCCC    		 1-HEXADECANOSULFONIC ACID
    22281 HDT
    CHEMBL73303
    DB02197
    ZINC000001493866    		 1 C17 H14 N6 O2 S InChI=1S/C17H14N6O2S/c18-
    26(24,25)13-6-4-12(5-7-13
    )21-17-19-9-8-14(22-17)15
    -11-20-16-3-1-2-10-23(15)
    16/h1-11H,(H2,18,24,25)(H
    ,19,21,22);
    NKORVPQBJCGYEC-UHFFFAOYSA-N    		 c1ccn2c(c1)ncc2c3ccnc(n3)Nc4ccc(cc4)S(=O
    )(=O)N; N[S](=O)(=O)c1ccc(Nc2nccc(n2)c3c
    nc4ccccn34)cc1; O=S(=O)(N)c1ccc(cc1)Nc2n
    ccc(n2)c3cnc4ccccn34    		 4-[(4-IMIDAZO[1,2-A]PYRIDIN-3-YLPYRIMIDIN-2-YL)AMINO]BENZENESULFONAMIDE
    22282 HDU
    CHEMBL99842
    DB02538    		 1 C14 H13 N5 O InChI=1S/C14H13N5O/c1-9-1
    3(19-8-4-3-5-12(19)16-9)1
    1-6-7-15-14(18-11)17-10(2
    )20/h3-8H,1-2H3,(H,15,17,
    18,20);
    ZCRPPLDDHBLUES-UHFFFAOYSA-N    		 Cc1c(n2ccccc2n1)c3ccnc(n3)NC(=O)C; CC(=O
    )Nc1nccc(n1)c2n3ccccc3nc2C; O=C(Nc1nccc(
    n1)c2c(nc3ccccn23)C)C    		 N-[4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)-2-PYRIMIDINYL]ACETAMIDE
    22283 HDV 16 C11 H17 F N5 O12 P3 InChI=1S/C11H17FN5O12P3/c
    1-4-15-9(13)7-10(16-4)17(
    3-14-7)11-6(12)8(18)5(27-
    11)2-26-31(22,23)29-32(24
    ,25)28-30(19,20)21/h3,5-6
    ,8,11,18H,2H2,1H3,(H,22,2
    3)(H,24,25)(H2,13,15,16)(
    H2,19,20,21)/t5-,6+,8-,11
    -/m1/s1;
    BGNIGZFVXIGOQD-WCGPTHBMSA-N    		 Cc1nc(N)c2ncn([C@@H]3O[C@H](CO[P](O)(=O)
    O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@@H]3
    F)c2n1; Cc1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO
    P(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N; Cc1nc
    (N)c2ncn([CH]3O[CH](CO[P](O)(=O)O[P](O)(
    =O)O[P](O)(O)=O)[CH](O)[CH]3F)c2n1; Cc1n
    c(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@H](
    O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)F)N;
    O=P(OCC1OC(C(C1O)F)n3c2c(c(nc(n2)C)N)nc3
    )(O)OP(OP(O)(=O)O)(O)=O    		 9-{2-deoxy-2-fluoro-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-2-me thyl-9H-purin-6-amine;
    Clofarabine-TRIPHOSPHATE
    22284 HDW 0 C53 H93 N11 O20 S2 InChI=1S/C53H93N11O20S2/c
    65-28-35-85-39-50(72)54-2
    5-15-14-17-40(51(73)74)58
    -48(70)37-83-33-32-82-30-
    27-56-45(67)23-21-41(52(7
    5)76)57-46(68)24-22-42(53
    (77)78)59-49(71)38-84-34-
    31-81-29-26-55-44(66)20-1
    6-36-86(79,80)62-47(69)19
    -13-11-9-7-5-3-1-2-4-6-8-
    10-12-18-43-60-63-64-61-4
    3/h40-42,65H,1-39H2,(H,54
    ,72)(H,55,66)(H,56,67)(H,
    57,68)(H,58,70)(H,59,71)(
    H,62,69)(H,73,74)(H,75,76
    )(H,77,78)(H,60,61,63,64)
    /t40-,41+,42-/m0/s1;
    ZNHGNAMZXIGHTQ-ZMWLRIRSSA-N    		 C(CCCCCCCc1n[nH]nn1)CCCCCCCC(=O)NS(=O)(=
    O)CCCC(=O)NCCOCCOCC(=O)N[C@@H](CCC(=O)N[
    C@H](CCC(=O)NCCOCCOCC(=O)N[C@@H](CCCCNC(
    =O)CSCCO)C(=O)O)C(=O)O)C(=O)O; OCCSCC(=O
    )NCCCC[CH](NC(=O)COCCOCCNC(=O)CC[CH](NC(
    =O)CC[CH](NC(=O)COCCOCCNC(=O)CCC[S](=O)(
    =O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn1)C(O)=
    O)C(O)=O)C(O)=O; C(CCCCCCCc1n[nH]nn1)CCC
    CCCCC(=O)NS(=O)(=O)CCCC(=O)NCCOCCOCC(=O)
    NC(CCC(=O)NC(CCC(=O)NCCOCCOCC(=O)NC(CCCC
    NC(=O)CSCCO)C(=O)O)C(=O)O)C(=O)O; OCCSCC
    (=O)NCCCC[C@H](NC(=O)COCCOCCNC(=O)CC[C@@
    H](NC(=O)CC[C@H](NC(=O)COCCOCCNC(=O)CCC[
    S](=O)(=O)NC(=O)CCCCCCCCCCCCCCCc1n[nH]nn
    1)C(O)=O)C(O)=O)C(O)=O    		 (2~{S})-6-[2-(2-hydroxyethylsulfanyl)ethanoylamino]-2-[2-[2-[2-[[(4~{R})-5-oxidanyl-5-oxidanylidene-4-[[(4~{S})-5-oxidanyl-5-oxidanylidene-4-[2-[2-[2-[4-[16-(2~{H}-1,2,3,4-tetrazol-5-yl)hexadecanoylsulfamoyl]butanoylamino]ethoxy]ethoxy]ethanoylamino]pentanoyl]amino]pentanoyl]amino]ethoxy]ethoxy]ethanoylamino]hexanoic acid
    22285 HDX
    ZINC000064746584    		 2 C8 H13 N O9 P2 InChI=1S/C8H13NO9P2/c10-7
    -6(2-4-18-20(15,16)17)1-3
    -9(8(7)11)5-19(12,13)14/h
    1,3,10H,2,4-5H2,(H2,12,13
    ,14)(H2,15,16,17);
    RMAJJEZWSTVCSS-UHFFFAOYSA-N    		 C1=CN(C(=O)C(=C1CCOP(=O)(O)O)O)CP(=O)(O)
    O; OC1=C(CCO[P](O)(O)=O)C=CN(C[P](O)(O)=
    O)C1=O; O=P(O)(O)OCCC=1C=CN(C(=O)C=1O)CP
    (=O)(O)O    		 ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid
    22286 HDY
    DB07889
    ZINC000002047516    		 1 C23 H26 N6 O2 InChI=1S/C23H26N6O2/c1-16
    -22(29-13-5-4-6-21(29)25-
    16)20-11-12-24-23(27-20)2
    6-17-7-9-19(10-8-17)31-15
    -18(30)14-28(2)3/h4-13,18
    ,30H,14-15H2,1-3H3,(H,24,
    26,27)/t18-/m0/s1;
    VCPXSBULBDYRLT-SFHVURJKSA-N    		 CN(C)C[C@H](O)COc1ccc(Nc2nccc(n2)c3n4ccc
    cc4nc3C)cc1; OC(CN(C)C)COc1ccc(cc1)Nc2nc
    cc(n2)c3c(nc4ccccn34)C; CN(C)C[CH](O)COc
    1ccc(Nc2nccc(n2)c3n4ccccc4nc3C)cc1; Cc1c
    (n2ccccc2n1)c3ccnc(n3)Nc4ccc(cc4)OC[C@H]
    (CN(C)C)O; Cc1c(n2ccccc2n1)c3ccnc(n3)Nc4
    ccc(cc4)OCC(CN(C)C)O    		 1-(DIMETHYLAMINO)-3-(4-{{4-(2-METHYLIMIDAZO[1,2-A]PYRIDIN-3-YL)PYRIMIDIN-2-YL]AMINO}PHENOXY)PROPAN-2-OL
    22287 HDZ
    CHEMBL142438
    DB09152    		 8 N2 InChI=1S/N2/c1-2;
    IJGRMHOSHXDMSA-UHFFFAOYSA-N    		 N#N NITROGEN MOLECULE
    22288 HE0
    ZINC000015894678    		 1 C17 H28 N4 O7 S InChI=1S/C17H28N4O7S/c1-1
    7(2)13(16(27)28)21-14(29-
    17)10(8-22)20-11(23)6-4-3
    -5-9(15(25)26)19-12(24)7-
    18/h8-10,13-14,21H,3-7,18
    H2,1-2H3,(H,19,24)(H,20,2
    3)(H,25,26)(H,27,28)/t9-,
    10+,13-,14+/m0/s1;
    GWAZTQMEPPXKKK-GIFSMMMISA-N    		 CC1([C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)CC
    CC[C@@H](C(=O)O)NC(=O)CN)C(=O)O)C; CC1(C
    (NC(S1)C(C=O)NC(=O)CCCCC(C(=O)O)NC(=O)CN
    )C(=O)O)C; CC1(C)S[C@@H](N[C@H]1C(O)=O)[
    C@H](NC(=O)CCCC[C@H](NC(=O)CN)C(O)=O)C=O
    ; O=C(NC(C=O)C1SC(C(N1)C(=O)O)(C)C)CCCCC
    (C(=O)O)NC(=O)CN; CC1(C)S[CH](N[CH]1C(O)
    =O)[CH](NC(=O)CCCC[CH](NC(=O)CN)C(O)=O)C
    =O    		 (2R,4S)-2-[(1R)-1-{[(6S)-6-carboxy-6-(glycylamino)hexanoyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Penicillin analog, bound/open form
    22289 HE1
    CHEMBL77996
    DB07890    		 2 C10 H13 O4 P S InChI=1S/C10H13O4PS/c11-9
    -5-1-2-6-10(9)16-8-4-3-7-
    15(12,13)14/h1-3,5-7,11H,
    4,8H2,(H2,12,13,14)/b7-3+;
    GHNIEXOPSISMGX-XVNBXDOJSA-N    		 c1ccc(c(c1)O)SCC\C=C\P(=O)(O)O; Oc1ccccc
    1SCCC=C[P](O)(O)=O; O=P(O)(O)/C=C/CCSc1c
    cccc1O; c1ccc(c(c1)O)SCCC=CP(=O)(O)O; Oc
    1ccccc1SCC/C=C/[P](O)(O)=O    		 4-(2-HYDROXYPHENYLTHIO)-1-BUTENYLPHOSPHONIC ACID
    22290 HE2
    CHEMBL14085
    ZINC000001699882    		 4 C6 H14 O InChI=1S/C6H14O/c1-2-3-4-
    5-6-7/h7H,2-6H2,1H3;
    ZSIAUFGUXNUGDI-UHFFFAOYSA-N    		 CCCCCCO; OCCCCCC HEXAN-1-OL
    22291 HE3
    DB03361
    ZINC000012503512    		 9 C14 H22 N4 O8 P2 S InChI=1S/C14H22N4O8P2S/c1
    -8-12(4-5-25-28(23,24)26-
    27(20,21)22)29-14(9(2)19)
    17-13-11(7-18(8)14)6-15-1
    0(3)16-13/h6,9,19H,4-5,7H
    2,1-3H3,(H,23,24)(H,15,16
    ,17)(H2,20,21,22)/t9-,14-
    /m0/s1;
    UQFVHIGKDHNMJT-XPTSAGLGSA-N    		 C[C@H](O)[C@]12Nc3nc(C)ncc3CN1C(=C(CCO[P
    @@](O)(=O)O[P](O)(O)=O)S2)C; Cc1ncc2c(n1
    )N[C@]3([N@@](C2)C(=C(S3)CCO[P@](=O)(O)O
    P(=O)(O)O)C)[C@H](C)O; Cc1ncc2c(n1)NC3(N
    (C2)C(=C(S3)CCOP(=O)(O)OP(=O)(O)O)C)C(C)
    O; O=P(O)(O)OP(=O)(O)OCCC=2SC3(Nc1nc(ncc
    1CN3C=2C)C)C(O)C; C[CH](O)[C]12Nc3nc(C)n
    cc3CN1C(=C(CCO[P](O)(=O)O[P](O)(O)=O)S2)
    C    		 2-HYDROXYETHYL DIHYDROTHIACHROME DIPHOSPHATE;
    2-{(9AS)-9A-[(1S)-1-HYDROXYETHYL]-2,7-DIMETHYL-9A,10-DIHYDRO-5H-PYRIMIDO[4,5-D][1,3]THIAZOLO[3,2-A]PYRIMIDIN-8-YL}ETHYL TRIHYDROGEN DIPHOSPHATE
    22292 HE4
    CHEMBL273459
    ZINC000001666984    		 5 C7 H16 O InChI=1S/C7H16O/c1-2-3-4-
    5-6-7-8/h8H,2-7H2,1H3;
    BBMCTIGTTCKYKF-UHFFFAOYSA-N    		 OCCCCCCC; CCCCCCCO HEPTAN-1-OL
    22293 HE5 2 C32 H34 N4 O4 Zn InChI=1S/C32H34N4O4.Zn/c1
    -17-11-22-14-27-19(3)23(7
    -9-31(37)39-5)29(35-27)16
    -30-24(8-10-32(38)40-6)20
    (4)28(36-30)15-26-18(2)12
    -21(34-26)13-25(17)33-22;
    /h12-17H,7-11H2,1-6H3;/q-
    4;+4/b22-14-,25-13-,28-15
    -,30-16-;;
    QTRUNGZFGQPYEG-XPUTWRDZSA-N    		 Cc1cc2n3c1C=C4C(=C(C5=Cc6c(c(c7n6[Zn@@]3
    (N45)N8C(=C7)CC(C8=C2)C)C)CCC(=O)OC)CCC(
    =O)OC)C; COC(=O)CCc1c(C)c2C=C3C[CH](C)C4
    =Cc5cc(C)c6C=C7N8C(=Cc1n2[Zn]8(N34)n56)C
    (=C7C)CCC(=O)OC; Cc1cc2n3c1C=C4C(=C(C5=C
    c6c(c(c7n6[Zn]3(N45)N8C(=C7)CC(C8=C2)C)C
    )CCC(=O)OC)CCC(=O)OC)C; COC(=O)CCc1c(C)c
    2C=C3C[C@H](C)C4=Cc5cc(C)c6C=C7N8C(=Cc1n
    2[Zn]8(N34)n56)C(=C7C)CCC(=O)OC    		 ZINC(II)-DEUTEROPORPHYRIN DIMETHYLESTER;
    ZND-DME
    22294 HE6 1 C28 H24 Fe N4 O4 InChI=1S/C28H26N4O4.Fe/c1
    -11-13(3)19-8-21-15(5)25(
    27(33)34)23(31-21)10-24-2
    6(28(35)36)16(6)22(32-24)
    9-20-14(4)12(2)18(30-20)7
    -17(11)29-19;/h7-10H,1-6H
    3,(H4,29,30,31,32,33,34,3
    5,36);/q;+2/p-2/b17-7-,18
    -7-,19-8-,20-9-,21-8-,22-
    9-,23-10-,24-10-;;
    RFDMLTBFXDEWRD-ZTZLPJICSA-L    		 CC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(C
    (O)=O)C5=CC6=NC(=Cc4c(C)c3C)C(=C6C(O)=O)
    C)C; Cc1c(c2n3c1C=C4C(=C(C5=[N]4[Fe]36[N
    ]7=C(C=C8N6C(=C5)C(=C8C(=O)O)C)C(=C(C7=C
    2)C)C(=O)O)C)C)C; CC1=C(C)C2=NC1=Cc3n4[F
    e][N@@]5C(=C2)C(=C(C(O)=O)C5=CC6=NC(=Cc4
    c(C)c3C)C(=C6C(O)=O)C)C    		 6,7-DICARBOXYL-1,2,3,4,5,8-HEXAMETHYLHEMIN
    22295 HE7
    CHEMBL1233274
    DB07891
    ZINC000004026838    		 4 C22 H28 O5 InChI=1S/C22H28O5/c1-22-1
    1-10-16-15-5-3-14(23)12-1
    3(15)2-4-17(16)18(22)6-7-
    19(22)27-21(26)9-8-20(24)
    25/h3,5,12,16-19,23H,2,4,
    6-11H2,1H3,(H,24,25)/t16-
    ,17-,18+,19+,22+/m1/s1;
    YJPIDPAGJSWWBE-FNIAAEIWSA-N    		 C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1
    CC[C@@H]2OC(=O)CCC(=O)O)O; CC12CCC3c4ccc
    (cc4CCC3C1CCC2OC(=O)CCC(=O)O)O; C[C]12CC
    [CH]3[CH](CCc4cc(O)ccc34)[CH]1CC[CH]2OC(
    =O)CCC(O)=O; O=C(O)CCC(=O)OC4CCC3C2C(c1c
    cc(O)cc1CC2)CCC34C; C[C@]12CC[C@H]3[C@@H
    ](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2OC(=O)C
    CC(O)=O    		 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid;
    1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate;
    (17beta-Estradiol)-17-hemisuccinate
    22296 HE8 3 C8 H18 B N2 O5 InChI=1S/C8H18BN2O5/c10-8
    (7(12)13)5-11-4-6(8)2-1-3
    -9(14,15)16/h6,11,14-16H,
    1-5,10H2,(H,12,13)/q-1/t6
    -,8-/m0/s1;
    JNNZQSJBRFVUJB-XPUUQOCRSA-N    		 N[C@]1(CNC[C@@H]1CCC[B-](O)(O)O)C(O)=O;
    [B-](CCC[C@H]1CNC[C@]1(C(=O)O)N)(O)(O)O;
    [B-](CCCC1CNCC1(C(=O)O)N)(O)(O)O; N[C]1
    (CNC[CH]1CCC[B-](O)(O)O)C(O)=O    		 3-[(3~{S},4~{R})-4-azanyl-4-carboxy-pyrrolidin-3-yl]propyl-tris(oxidanyl)boranuide
    22297 HE9
    CHEMBL486027
    ZINC000000405329    		 3 C8 H8 O4 InChI=1S/C8H8O4/c1-12-8(1
    1)5-2-3-6(9)7(10)4-5/h2-4
    ,9-10H,1H3;
    CUFLZUDASVUNOE-UHFFFAOYSA-N    		 COC(=O)c1ccc(c(c1)O)O; COC(=O)c1ccc(O)c(
    O)c1    		 methyl 3,4-bis(oxidanyl)benzoate
    22298 HEA 666 C49 H56 Fe N4 O6 InChI=1S/C49H58N4O6.Fe/c1
    -9-34-31(6)39-25-45-49(46
    (55)18-12-17-30(5)16-11-1
    5-29(4)14-10-13-28(2)3)33
    (8)40(52-45)24-44-37(27-5
    4)36(20-22-48(58)59)43(53
    -44)26-42-35(19-21-47(56)
    57)32(7)38(51-42)23-41(34
    )50-39;/h9,13,15,17,23-27
    ,46,55H,1,10-12,14,16,18-
    22H2,2-8H3,(H4,50,51,52,5
    3,54,56,57,58,59);/q;+2/p
    -2/b29-15+,30-17+,38-23-,
    39-25-,40-24-,41-23-,42-2
    6-,43-26-,44-24-,45-25-;/
    t46-;/m0./s1;
    ZGGYGTCPXNDTRV-PRYGPKJJSA-L    		 Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[N]
    7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C(C
    7=C2)[C@H](CC/C=C(\C)/CC/C=C(\C)/CCC=C(C
    )C)O)C)CCC(=O)O)C; CC(C)=CCC/C(C)=C/CC/C
    (C)=C/CC[C@H](O)C1=C(C)C2=N3|[Fe]45|N6=C
    (C=c7n4c(=C2)c(C=O)c7CCC(O)=O)C(=C(C)C6=
    Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O; CC(C)=C
    CCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C2=N3|[F
    e]45|N6=C(C=c7n4c(=C2)c(C=O)c7CCC(O)=O)C
    (=C(C)C6=Cc8n5c(C=C13)c(C)c8C=C)CCC(O)=O
    ; Cc1c2n3c(c1C=C)C=C4C(=C(C5=[N]4[Fe]36[
    N]7=C(C=C8N6C(=C5)C(=C8C=O)CCC(=O)O)C(=C
    (C7=C2)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O)C)C
    CC(=O)O)C; O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5
    C(=C(C=6C=C7C(C=O)=C(C8=CC1=N2[Fe](n34)(
    N5=6)N78)CCC(=O)O)C)C(O)CC\C=C(/C)CC\C=C
    (/C)CC\C=C(/C)C)C)/C=C)C    		 HEME-A
    22299 HEB 94 C34 H34 Fe N4 O4 InChI=1S/C34H36N4O4.Fe/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;/h8,13-16H,2,7,9-12
    H2,1,3-6H3,(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-;;
    NEGHHAJBRZGUAY-RGGAHWMASA-L    		 CCC1=C(C)C2=NC1=Cc3n4[Fe][N]5C(=C2)C(=C(
    CCC(O)=O)C5=CC6=NC(=Cc4c(C=C)c3C)C(=C6CC
    C(O)=O)C)C; CCC1=C(C)C2=NC1=Cc3n4[Fe][N@
    @]5C(=C2)C(=C(CCC(O)=O)C5=CC6=NC(=Cc4c(C
    =C)c3C)C(=C6CCC(O)=O)C)C; CCC1=C(C2=[N]3
    C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N6C(=C2)C
    (=C8CCC(=O)O)C)C(=C(C7=C5)C)CCC(=O)O)C=C
    )C)C    		 HEME B/C;
    HYBRID BETWEEN B AND C TYPE HEMES (PROTOPORPHYRIN IX CONTAINING FE)
    22300 HEC 4792 C34 H34 Fe N4 O4 InChI=1S/C34H34N4O4.Fe/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,9-12H2
    ,1-6H3,(H,39,40)(H,41,42)
    ;/q-4;+4/b21-7?,22-8?,26-
    13-,29-14-,30-15-,31-16-;;
    HXQIYSLZKNYNMH-LJNAALQVSA-N    		 O=C(O)CCC1=C(C2=CC6=C(C(=C/C)\C5=CC4=C(C
    (\C3=Cc7c(c(c8C=C1N2[Fe](N34)(N56)n78)CC
    C(=O)O)C)=C/C)C)C)C; CC=C1C(=C2C=C3C(=CC
    )C(=C4N3[Fe]56N2C1=Cc7n5c(c(c7C)CCC(=O)O
    )C=C8N6C(=C4)C(=C8CCC(=O)O)C)C)C; C\C=C1
    /C(=C2C=C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C
    /C)C=C1N2[Fe@@]468)c(C)c5CCC(O)=O)C(=C3C
    )CCC(O)=O)C; CC=C1C(=C2C=C3N4C(=Cc5n6c(C
    =C7N8C(=C(C)C7=CC)C=C1N2[Fe]468)c(C)c5CC
    C(O)=O)C(=C3C)CCC(O)=O)C    		 HEME C
    22301 HED
    CHEMBL1233278
    DB02486
    ZINC000001665970    		 0 C4 H10 O2 S2 InChI=1S/C4H10O2S2/c5-1-3
    -7-8-4-2-6/h5-6H,1-4H2;
    KYNFOMQIXZUKRK-UHFFFAOYSA-N    		 C(CSSCCO)O; OCCSSCCO 2-HYDROXYETHYL DISULFIDE
    22302 HEE
    CHEMBL119521
    DB04321
    ZINC000005973159    		 10 C8 H19 O3 P InChI=1S/C8H19O3P/c1-3-5-
    6-7-8-12(9,10)11-4-2/h3-8
    H2,1-2H3,(H,9,10);
    XPLOQMVUXWZLET-UHFFFAOYSA-N    		 CCCCCCP(=O)(O)OCC; CCCCCC[P@](=O)(O)OCC;
    CCCCCC[P](O)(=O)OCC; O=P(O)(OCC)CCCCCC;
    CCCCCC[P@@](O)(=O)OCC    		 N-HEXYLPHOSPHONATE ETHYL ESTER
    22303 HEF
    CHEMBL31871
    DB07892
    ZINC000006143164    		 1 C14 H16 N2 O4 S InChI=1S/C14H16N2O4S/c1-1
    0-12(18)15-14(19)16(9-20-
    8-7-17)13(10)21-11-5-3-2-
    4-6-11/h2-6,17H,7-9H2,1H3
    ,(H,15,18,19);
    HDMHBHNRWDNNCD-UHFFFAOYSA-N    		 CC1=C(N(C(=O)NC1=O)COCCO)Sc2ccccc2; O=C2
    C(=C(Sc1ccccc1)N(C(=O)N2)COCCO)C; CC1=C(
    Sc2ccccc2)N(COCCO)C(=O)NC1=O    		 1-(2-HYDROXYETHYLOXYMETHYL)-6-PHENYL THIOTHYMINE
    22304 HEG 4 C34 H32 Mg N4 O4 InChI=1S/C34H34N4O4.Mg/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;+4/p-2/
    b25-13-,26-13-,27-14-,28-
    15-,29-14-,30-15-,31-16-,
    32-16-;;
    WRTULUUAJAPTAR-RGGAHWMASA-L    		 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Mg@]47n2c(c1C
    CC(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C
    =C)C(=C3C=C)C; Cc1c(CCC(O)=O)c2C=C3C(=C(
    C)C4=[N+]3[Mg]56n2c1C=C7C(=C(C)C(=[N+]57
    )C=C8[N]6C(=C4)C(=C8C=C)C)C=C)CCC(O)=O;
    Cc1c(CCC(O)=O)c2C=C3C(=C(C)C4=[N@@+]3[Mg
    ]56n2c1C=C7C(=C(C)C(=[N@@+]57)C=C8[N@@]6
    C(=C4)C(=C8C=C)C)C=C)CCC(O)=O; Cc1c2cc3[
    n+]4c(cc5c(c(c6n5[Mg]47n2c(c1CCC(=O)O)cc
    8[n+]7c(c6)C(=C8CCC(=O)O)C)C)C=C)C(=C3C=
    C)C    		 PROTOPORPHYRIN IX CONTAINING MG
    22305 HEH 0 C41 H52 N2 O11 InChI=1S/C41H50N2O11/c1-1
    6-11-22-30(37-28(16)24(44
    )14-27(53-37)41(6)39(54-4
    1)36-18(3)52-36)35(48)31-
    29(34(22)47)20(25-13-23(4
    2(7)8)32(45)17(2)50-25)12
    -21(33(31)46)26-15-40(5,4
    3(9)10)38(49)19(4)51-26/h
    11-12,14,17-19,23,25-26,3
    2,36,38-39,45-46,49H,13,1
    5H2,1-10H3/p+2/t17-,18+,1
    9+,23-,25-,26-,32-,36-,38
    -,39+,40+,41+/m1/s1;
    RZOFHOWMWMTHDX-KCOMYAKUSA-P    		 C[C@H]1O[C@H](C[C@H]([C@@H]1O)[NH+](C)C)
    c2cc([C@H]3C[C@@](C)([C@H](O)[C@H](C)O3)
    [NH+](C)C)c(O)c4C(=O)c5c6OC(=CC(=O)c6c(C
    )cc5C(=O)c24)[C@]7(C)O[C@H]7[C@@H]8O[C@H
    ]8C; Cc1cc2c(c3c1C(=O)C=C(O3)C4(C(O4)C5C
    (O5)C)C)C(=O)c6c(c(cc(c6O)C7CC(C(C(O7)C)
    O)(C)[NH+](C)C)C8CC(C(C(O8)C)O)[NH+](C)C
    )C2=O; Cc1cc2c(c3c1C(=O)C=C(O3)[C@]4([C@
    @H](O4)[C@H]5[C@@H](O5)C)C)C(=O)c6c(c(cc
    (c6O)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C
    )[NH+](C)C)[C@H]8C[C@H]([C@@H]([C@H](O8)
    C)O)[NH+](C)C)C2=O; C[CH]1O[CH](C[CH]([C
    H]1O)[NH+](C)C)c2cc([CH]3C[C](C)([CH](O)
    [CH](C)O3)[NH+](C)C)c(O)c4C(=O)c5c6OC(=C
    C(=O)c6c(C)cc5C(=O)c24)[C]7(C)O[CH]7[CH]
    8O[CH]8C; O=C2c1c(cc(c(O)c1C(=O)c4c2cc(c
    3C(=O)C=C(Oc34)C6(OC6C5OC5C)C)C)C7OC(C)C
    (O)C(C)(C7)[NH+](C)C)C8OC(C)C(O)C([NH+](
    C)C)C8    		 HEDAMYCIN
    22306 HEI 1 C21 H29 N5 O4 InChI=1S/C21H29N5O4/c1-2-
    15-18(19(22)25-21(23)24-1
    5)30-13-5-12-29-17-7-4-3-
    6-16(17)26-10-8-14(9-11-2
    6)20(27)28/h3-4,6-7,14H,2
    ,5,8-13H2,1H3,(H,27,28)(H
    4,22,23,24,25);
    NPVGDVKBVUITFR-UHFFFAOYSA-N    		 CCc1nc(N)nc(N)c1OCCCOc1ccccc1N1CCC(CC1)C
    (=O)O; CCc1c(c(nc(n1)N)N)OCCCOc2ccccc2N3
    CCC(CC3)C(=O)O; CCc1nc(N)nc(N)c1OCCCOc2c
    cccc2N3CCC(CC3)C(O)=O    		 1-(2-{3-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxy]propoxy}phenyl)piperidine-4-carboxylic acid
    22307 HEJ
    CHEMBL4441501
    ZINC000011726744    		 6 C10 H16 N5 O13 P3 InChI=1S/C10H16N5O13P3/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-7(17)6(16)4(26-10)1
    -25-30(21,22)28-31(23,24)
    27-29(18,19)20/h2-4,6-7,1
    0,16-17H,1H2,(H,21,22)(H,
    23,24)(H2,11,12,13)(H2,18
    ,19,20)/t4-,6-,7+,10-/m1/
    s1;
    ZKHQWZAMYRWXGA-UHTZMRCNSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)O)O)O)N; c1nc(c2c(n1)n(
    cn2)[C@H]3[C@H]([C@@H]([C@H](O3)COP(=O)(
    O)OP(=O)(O)OP(=O)(O)O)O)O)N; Nc1ncnc2n(c
    nc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O
    [P](O)(O)=O)[CH](O)[CH]3O; Nc1ncnc2c1ncn
    2C3OC(COP(O)(=O)OP(O)(=O)OP(O)(=O)O)C(O)
    C3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P]
    (O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)
    [C@@H]3O    		 9-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine;
    Vidarabine-TRIPHOSPHATE
    22308 HEK 0 C25 H30 N12 O8 InChI=1S/C25H30N12O8/c1-1
    3(39)28-7-23(42)31-17(12-
    38)8-36-10-19(32-34-36)14
    -2-15(4-16(3-14)25(44)45)
    20-11-37(35-33-20)9-18(26
    )24(43)30-6-22(41)29-5-21
    (27)40/h2-4,10-12,17-18H,
    5-9,26H2,1H3,(H2,27,40)(H
    ,28,39)(H,29,41)(H,30,43)
    (H,31,42)(H,44,45)/t17-,1
    8-/m0/s1;
    YGGHQLWFDQBKHZ-ROUUACIJSA-N    		 CC(=O)NCC(=O)NC(Cn1cc(nn1)c2cc(cc(c2)C(=
    O)O)c3cn(nn3)CC(C(=O)NCC(=O)NCC(=O)N)N)C
    =O; CC(=O)NCC(=O)N[CH](Cn1cc(nn1)c2cc(cc
    (c2)c3cn(C[CH](N)C(=O)NCC(=O)NCC(N)=O)nn
    3)C(O)=O)C=O; CC(=O)NCC(=O)N[C@@H](Cn1cc
    (nn1)c2cc(cc(c2)C(=O)O)c3cn(nn3)C[C@@H](
    C(=O)NCC(=O)NCC(=O)N)N)C=O; CC(=O)NCC(=O
    )N[C@@H](Cn1cc(nn1)c2cc(cc(c2)c3cn(C[C@H
    ](N)C(=O)NCC(=O)NCC(N)=O)nn3)C(O)=O)C=O    		 3-[1-[(2~{S})-2-(2-acetamidoethanoylamino)-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]-5-[1-[(2~{S})-2-azanyl-3-[[2-[(2-azanyl-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]amino]-3-oxidanylidene-propyl]-1,2,3-triazol-4-yl]benzoic acid
    22309 HEL
    DB03820    		 1 C17 H25 N4 O7 S InChI=1S/C17H26N4O7S/c1-1
    7(2)12(16(27)28)21-13(24)
    11(14(21)29-17)20-9(22)6-
    4-3-5-8(15(25)26)19-10(23
    )7-18/h8,11-12,14H,3-7,18
    H2,1-2H3,(H,19,23)(H,20,2
    2)(H,25,26)(H,27,28)/p-1/
    t8-,11+,12-,14+/m0/s1;
    LDJWRKFRKCXUDO-RBQWDTSBSA-M    		 CC1(C(N2C(S1)C(C2=O)NC(=O)CCCCC(C(=O)[O-
    ])NC(=O)C[NH3+])C(=O)[O-])C; O=C([O-])C1
    N2C(=O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[N
    H3+])C2SC1(C)C; CC1([C@@H](N2[C@H](S1)[C
    @@H](C2=O)NC(=O)CCCC[C@@H](C(=O)[O-])NC(
    =O)C[NH3+])C(=O)[O-])C; CC1(C)S[C@@H]2[C
    @H](NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-]
    )=O)C(=O)N2[C@H]1C([O-])=O; CC1(C)S[CH]2
    [CH](NC(=O)CCCC[CH](NC(=O)C[NH3+])C([O-]
    )=O)C(=O)N2[CH]1C([O-])=O    		 (2S,5R,6R)-6-{[(6R)-6-(GLYCYLAMINO)-7-OXIDO-7-OXOHEPTANOYL]AMINO}-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
    22310 HEM
    DB18267    		 14664 C34 H32 Fe N4 O4 InChI=1S/C34H34N4O4.Fe/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-;;
    KABFMIBPWCXCRK-RGGAHWMASA-L    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=[N]4[Fe]
    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[Fe]5|6|N2=C1C=c7n5c(=CC8=N|6C(=Cc4c
    (C)c3CCC(O)=O)C(=C8C=C)C)c(C)c7C=C; C=1c
    3c(c(c4C=C5C(=C(C=6C=C7C(=C(C8=CC=2C(=C(
    C=1N=2[Fe](n34)(N5=6)N78)CCC(=O)O)C)\C=C
    )C)\C=C)C)C)CCC(=O)O    		 PROTOPORPHYRIN IX CONTAINING FE;
    HEME
    22311 HEN
    DB02328
    ZINC000103544596    		 24 C13 H18 N2 O10 P2 InChI=1S/C13H18N2O10P2/c1
    -8-12(16)10(9(5-14-8)7-25
    -27(22,23)24)6-15-11(13(1
    7)18)3-2-4-26(19,20)21/h2
    -3,5,16H,4,6-7H2,1H3,(H,1
    7,18)(H2,19,20,21)(H2,22,
    23,24)/b3-2+,15-11+;
    VKWJKURKEYQKKW-ZCOJICPHSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN=C(\C=C\C[P](O)
    (O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O
    )O)C/N=C(\C=C\CP(=O)(O)O)/C(=O)O)O; Cc1n
    cc(CO[P](O)(O)=O)c(CN=C(C=CC[P](O)(O)=O)
    C(O)=O)c1O; O=P(O)(O)C/C=C/C(=N\Cc1c(cnc
    (c1O)C)COP(=O)(O)O)C(=O)O; Cc1c(c(c(cn1)
    COP(=O)(O)O)CN=C(C=CCP(=O)(O)O)C(=O)O)O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-IMINO]-5-PHOSPHONO-PENT-3-ENOIC ACID
    22312 HEO 20 C49 H58 Fe N4 O5 InChI=1S/C49H60N4O5.Fe/c1
    -10-35-31(6)40-26-45-49(4
    6(54)19-13-18-30(5)17-12-
    16-29(4)15-11-14-28(2)3)3
    4(9)41(53-45)24-38-32(7)3
    6(20-22-47(55)56)43(51-38
    )27-44-37(21-23-48(57)58)
    33(8)39(52-44)25-42(35)50
    -40;/h10,14,16,18,24-27,4
    6,54H,1,11-13,15,17,19-23
    H2,2-9H3,(H4,50,51,52,53,
    55,56,57,58);/q;+4/p-2/b2
    9-16+,30-18-,38-24-,39-25
    -,40-26-,41-24-,42-25-,43
    -27-,44-27-,45-26-;/t46-;
    /m0./s1;
    FRKORVCRVCLRBA-BZKSIRDQSA-L    		 Cc1c2cc3[n+]4c(cc5c(c(c6n5[Fe]47n2c(c1CC
    C(=O)O)cc8[n+]7c(c6)C(=C8CCC(=O)O)C)C=C)
    C)C(=C3C)C(CCC=C(C)CCC=C(C)CCC=C(C)C)O;
    CC(C)=CCCC(C)=CCCC(C)=CCC[CH](O)C1=C(C)C
    2=[N+]3C1=Cc4n5c(C=C6C(=C(CCC(O)=O)C7=[N
    +]6[Fe]35[N]8C(=C2)C(=C(CCC(O)=O)C8=C7)C
    )C)c(C=C)c4C; [Fe]321N4C5=CC8=[N+]1C(=Cc
    7n2c(C=C6[N+]3=C(C=C4C(=C5CCC(=O)O)C)C(=
    C6C(O)CC\C=C(/CC\C=C(\CC\C=C(\C)C)C)C)C)
    c(c7\C=C)C)C(=C8CCC(=O)O)C; CC(C)=CCC/C(
    C)=C/CC/C(C)=C/CC[C@H](O)C1=C(C)C2=[N@@+
    ]3C1=Cc4n5c(C=C6C(=C(CCC(O)=O)C7=[N@@+]6
    [Fe@]35[N@]8C(=C2)C(=C(CCC(O)=O)C8=C7)C)
    C)c(C=C)c4C; Cc1c2cc3[n+]4c(cc5c(c(c6n5[
    Fe]47n2c(c1CCC(=O)O)cc8[n+]7c(c6)C(=C8CC
    C(=O)O)C)C=C)C)C(=C3C)[C@H](CC/C=C(/C)\C
    CC=C(C)CCC=C(C)C)O    		 HEME O
    22313 HEP
    DB07893
    ZINC000003874662    		 4 C15 H22 N O6 P InChI=1S/C15H22NO6P/c1-2-
    3-9-14(16-13(17)10-11-15(
    18)19)23(20,21)22-12-7-5-
    4-6-8-12/h4-8,14H,2-3,9-1
    1H2,1H3,(H,16,17)(H,18,19
    )(H,20,21)/t14-/m1/s1;
    FJQWWGCHPFSERW-CQSZACIVSA-N    		 CCCCC(NC(=O)CCC(=O)O)P(=O)(O)Oc1ccccc1;
    CCCC[CH](NC(=O)CCC(O)=O)[P](O)(=O)Oc1ccc
    cc1; O=P(Oc1ccccc1)(O)C(NC(=O)CCC(=O)O)C
    CCC; CCCC[C@H](NC(=O)CCC(O)=O)[P@](O)(=O
    )Oc1ccccc1; CCCC[C@H](NC(=O)CCC(=O)O)[P@
    @](=O)(O)Oc1ccccc1    		 PHENYL[1-(N-SUCCINYLAMINO)PENTYL]PHOSPHONATE
    22314 HEQ 0 C40 H54 O2 InChI=1S/C40H54O2/c1-29(1
    7-13-19-31(3)21-23-36-33(
    5)27-35(41)28-40(36,9)10)
    15-11-12-16-30(2)18-14-20
    -32(4)22-24-37-34(6)38(42
    )25-26-39(37,7)8/h11-24,3
    5,41H,25-28H2,1-10H3/b12-
    11+,17-13+,18-14+,23-21+,
    24-22+,29-15+,30-16+,31-1
    9+,32-20+/t35-/m0/s1;
    ZRCXVNZZDQGBQT-YGHCRLPZSA-N    		 CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\
    C=C\C=C(C)\C=C\C2=C(C)C(=O)CCC2(C)C)C(C)
    (C)C[C@@H](O)C1; CC1(C)CC(O)CC(C)=C1\C=C
    \C(C)=C\C=C\C(C)=C\C=C\C=C(/C)\C=C\C=C(/
    C)\C=C\C2=C(C)C(=O)CCC2(C)C; CC1=C(C(C[C
    @H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=C/C=C
    (\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(C)C)
    C)/C)/C; CC1=C(C(CC(C1)O)(C)C)C=CC(=CC=C
    C(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)CCC2(
    C)C)C)C)C; CC1=C(C=CC(C)=CC=CC(C)=CC=CC=
    C(C)C=CC=C(C)C=CC2=C(C)C(=O)CCC2(C)C)C(C
    )(C)C[CH](O)C1    		 3-[18-(4-HYDROXY-2,6,6-TRIMETHYL-CYCLOHEX-1-ENYL)-3,7,12,16-TETRAMETHYL-OCTADECA-1,3,5,7,9,11,13,15, 17-NONAENYL]-2,4,4-TRIMETHYL-CYCLOHEX-2-ENONE;
    3-HYDROXYECHINENONE
    22315 HER
    CHEMBL5288812    		 2 C16 H12 O8 InChI=1S/C16H12O8/c1-23-7
    -4-8(17)12-11(5-7)24-16(1
    5(22)14(12)21)6-2-9(18)13
    (20)10(19)3-6/h2-5,17-20,
    22H,1H3;
    BDZXSHDKBKYQKJ-UHFFFAOYSA-N    		 COc1cc(c2c(c1)OC(=C(C2=O)O)c3cc(c(c(c3)O
    )O)O)O; COc1cc(O)c2C(=O)C(=C(Oc2c1)c3cc(
    O)c(O)c(O)c3)O    		 7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one
    22316 HES
    DB04249    		 1 C34 H34 N4 O4 Zn InChI=1S/C34H34N4O4.Zn/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,9-12H2
    ,1-6H3,(H,39,40)(H,41,42)
    ;/q-4;+4/b21-7+,22-8?,26-
    13-,29-14-,30-15-,31-16-;;
    OSHBEULYPOLYCE-DXQPMOBYSA-N    		 CC=C1C(=C2C=C3C(=CC)C(=C4N3[Zn]56N2C1=Cc
    7n5c(c(c7C)CCC(=O)O)C=C8N6C(=C4)C(=C8CCC
    (=O)O)C)C)C; CC=C1C(=C2C=C3N4C(=Cc5n6c(C
    =C7N8C(=C(C)C7=CC)C=C1N2[Zn]468)c(C)c5CC
    C(O)=O)C(=C3C)CCC(O)=O)C; C\C=C1/C(=C2C=
    C3N4C(=Cc5n6c(C=C7N8C(=C(C)\C7=C/C)C=C1N
    2[Zn]468)c(C)c5CCC(O)=O)C(=C3C)CCC(O)=O)
    C    		 ZINC SUBSTITUTED HEME C
    22317 HET
    CHEMBL1089405
    ZINC000013981078    		 1 C26 H30 N5 O2 P InChI=1S/C26H30N5O2P/c1-3
    4(2,33)22-12-10-20(11-13-
    22)28-25-23-26(30-24(29-2
    5)19-7-3-4-8-19)31(17-27-
    23)15-14-18-6-5-9-21(32)1
    6-18/h5-6,9-13,16-17,19,3
    2H,3-4,7-8,14-15H2,1-2H3,
    (H,28,29,30);
    VVOYROSONSLQQK-UHFFFAOYSA-N    		 CP(=O)(C)c1ccc(cc1)Nc2c3c(nc(n2)C4CCCC4)
    n(cn3)CCc5cccc(c5)O; O=P(c1ccc(cc1)Nc4nc
    (nc2c4ncn2CCc3cccc(O)c3)C5CCCC5)(C)C; C[
    P](C)(=O)c1ccc(Nc2nc(nc3n(CCc4cccc(O)c4)
    cnc23)C5CCCC5)cc1    		 3-[2-(2-CYCLOPENTYL-6-{[4-(DIMETHYLPHOSPHORYL)PHENYL]AMINO}-9H-PURIN-9-YL)ETHYL]PHENOL
    22318 HEU
    ZINC000058650855    		 0 C11 H17 N2 O9 P InChI=1S/C11H17N2O9P/c14-
    4-3-12-9(16)1-2-13(11(12)
    17)10-5-7(15)8(22-10)6-21
    -23(18,19)20/h1-2,7-8,10,
    14-15H,3-6H2,(H2,18,19,20
    )/t7-,8+,10+/m0/s1;
    GBGSUYUQSAGQFW-QXFUBDJGSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)N(C2=O)C
    CO)COP(=O)(O)O)O; OCCN1C(=O)C=CN([C@H]2C
    [C@H](O)[C@@H](CO[P](O)(O)=O)O2)C1=O; O=
    C1N(C(=O)N(C=C1)C2OC(C(O)C2)COP(=O)(O)O)
    CCO; C1C(C(OC1N2C=CC(=O)N(C2=O)CCO)COP(=
    O)(O)O)O; OCCN1C(=O)C=CN([CH]2C[CH](O)[C
    H](CO[P](O)(O)=O)O2)C1=O    		 3-(2-HYDROXYETHYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    22319 HEV 3 C36 H32 Fe N4 O4 InChI=1S/C36H34N4O4.Fe/c1
    -7-21-23(9-3)31-17-32-24(
    10-4)22(8-2)30(40-32)16-2
    8-20(6)26(12-14-36(43)44)
    34(38-28)18-33-25(11-13-3
    5(41)42)19(5)27(37-33)15-
    29(21)39-31;/h7-10,15-18H
    ,1-4,11-14H2,5-6H3,(H4,37
    ,38,39,40,41,42,43,44);/q
    ;+2/p-2/b27-15-,28-16-,29
    -15-,30-16-,31-17-,32-17-
    ,33-18-,34-18-;;
    KPGBVOKZHGYTDW-ZSQORRHCSA-L    		 CC1=C(CCC(O)=O)C2=NC1=Cc3n4[Fe][N]5C(=CC
    6=NC(=Cc4c(C=C)c3C=C)C(=C6C=C)C=C)C(=C(C
    CC(O)=O)C5=C2)C; CC1=C(CCC(O)=O)C2=NC1=C
    c3n4[Fe][N@]5C(=CC6=NC(=Cc4c(C=C)c3C=C)C
    (=C6C=C)C=C)C(=C(CCC(O)=O)C5=C2)C; CC1=C
    (C2=[N]3C1=Cc4c(c(c5n4[Fe]36[N]7=C(C=C8N
    6C(=C2)C(=C8C)CCC(=O)O)C(=C(C7=C5)C=C)C=
    C)C=C)C=C)CCC(=O)O    		 5,8-DIMETHYL-1,2,3,4-TETRAVINYLPORPHINE-6,7-DIPROPIONIC ACID FERROUS COMPLEX;
    1,3-DEDIMETHYL-1,3-DIVINYL HEME
    22320 HEW
    ZINC000019862889    		 7 C5 H5 Br N2 InChI=1S/C5H5BrN2/c6-4-1-
    2-8-5(7)3-4/h1-3H,(H2,7,8
    );
    BAQKUNMKVAPWGU-UHFFFAOYSA-N    		 c1cnc(cc1Br)N; Nc1cc(Br)ccn1 4-bromanylpyridin-2-amine
    22321 HEX
    CHEMBL15939
    ZINC000001532209    		 9 C6 H14 InChI=1S/C6H14/c1-3-5-6-4
    -2/h3-6H2,1-2H3;
    VLKZOEOYAKHREP-UHFFFAOYSA-N    		 CCCCCC HEXANE
    22322 HEY
    ZINC000103544613    		 4 C13 H20 N2 O10 P2 InChI=1S/C13H20N2O10P2/c1
    -8-12(16)10(9(5-14-8)7-25
    -27(22,23)24)6-15-11(13(1
    7)18)3-2-4-26(19,20)21/h3
    ,5,15-16H,2,4,6-7H2,1H3,(
    H,17,18)(H2,19,20,21)(H2,
    22,23,24)/b11-3+;
    TVSPSLFYIKMGSC-QDEBKDIKSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(=CCCP(=O)(O
    )O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN
    /C(=C/CCP(=O)(O)O)/C(=O)O)O; Cc1ncc(CO[P
    ](O)(O)=O)c(CNC(=CCC[P](O)(O)=O)C(O)=O)c
    1O; Cc1ncc(CO[P](O)(O)=O)c(CN\C(=C\CC[P]
    (O)(O)=O)C(O)=O)c1O; O=P(O)(O)CC/C=C(\C(
    =O)O)NCc1c(cnc(c1O)C)COP(=O)(O)O    		 (2E)-2-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]-5-PHOSPHONOPENT-2-ENOIC ACID
    22323 HEZ
    CHEMBL458616
    DB02210
    ZINC000001555566    		 0 C6 H14 O2 InChI=1S/C6H14O2/c7-5-3-1
    -2-4-6-8/h7-8H,1-6H2;
    XXMIOPMDWAUFGU-UHFFFAOYSA-N    		 C(CCCO)CCO; OCCCCCCO HEXANE-1,6-DIOL
    22324 HF0 4 C16 H14 O8 InChI=1S/C16H14O8/c1-23-7
    -4-8(17)12-11(5-7)24-16(1
    5(22)14(12)21)6-2-9(18)13
    (20)10(19)3-6/h2-5,15-20,
    22H,1H3/t15-,16+/m1/s1;
    OEYMPTGVGRACKD-CVEARBPZSA-N    		 COc1cc(c2c(c1)O[C@H]([C@@H](C2=O)O)c3cc(
    c(c(c3)O)O)O)O; COc1cc(c2c(c1)OC(C(C2=O)
    O)c3cc(c(c(c3)O)O)O)O; COc1cc(O)c2C(=O)[
    C@@H](O)[C@@H](Oc2c1)c3cc(O)c(O)c(O)c3;
    COc1cc(O)c2C(=O)[CH](O)[CH](Oc2c1)c3cc(O
    )c(O)c(O)c3    		 (2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one
    22325 HF1
    DB07894
    ZINC000003870978    		 1 C10 H12 F O4 P S InChI=1S/C10H12FO4PS/c11-
    8-3-4-9(12)10(7-8)17-6-2-
    1-5-16(13,14)15/h1,3-5,7,
    12H,2,6H2,(H2,13,14,15)/b
    5-1+;
    UXOYJQMPYTYCMG-ORCRQEGFSA-N    		 Oc1ccc(F)cc1SCCC=C[P](O)(O)=O; c1cc(c(cc
    1F)SCCC=CP(=O)(O)O)O; Fc1cc(SCC/C=C/P(=O
    )(O)O)c(O)cc1; Oc1ccc(F)cc1SCC\C=C\[P](O
    )(O)=O    		 4-(2-HYDROXY-4-FLUOROPHENYLTHIO)-BUTYLPHOSPHONIC ACID
    22326 HF2
    ZINC000000388090    		 18 C9 H10 O3 InChI=1S/C9H10O3/c10-8(9(
    11)12)6-7-4-2-1-3-5-7/h1-
    5,8,10H,6H2,(H,11,12)/t8-
    /m1/s1;
    VOXXWSYKYCBWHO-MRVPVSSYSA-N    		 c1ccc(cc1)C[C@H](C(=O)O)O; c1ccc(cc1)CC(
    C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@H](Cc
    1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 (2R)-2-hydroxy-3-phenylpropanoic acid
    22327 HF3 1 H7 Hf3 O15 P InChI=1S/3Hf.H3O4P.7H2O.4
    O/c;;;1-5(2,3)4;;;;;;;;;;
    ;/h;;;(H3,1,2,3,4);7*1H2;
    ;;;/q2*+3;+4;;;;;;;;;;;;/
    p-10;
    RDEYJDUCCAQDEG-UHFFFAOYSA-D    		 O[Hf]12(O)O[P@@]3(=O)O[Hf]4(O)(O)(O1)O[H
    f](O)(O)(O)(O3)(O2)O4; O[Hf]123(OP4(=O)O
    [Hf]5(O1)(O2[Hf](O4)(O3)(O5)(O)(O)O)(O)O
    )O; O[Hf]12(O)O[P]3(=O)O[Hf]4(O)(O)(O1)O
    [Hf](O)(O)(O)(O3)(O2)O4    		 SMALLEST HF-OXO-PHOSPHATE CLUSTER HF3
    22328 HF4
    CHEMBL3417290
    ZINC000012502058    		 6 C9 H16 N3 O14 P3 InChI=1S/C9H16N3O14P3/c10
    -5-1-2-12(9(15)11-5)8-7(1
    4)6(13)4(24-8)3-23-28(19,
    20)26-29(21,22)25-27(16,1
    7)18/h1-2,4,6-8,13-14H,3H
    2,(H,19,20)(H,21,22)(H2,1
    0,11,15)(H2,16,17,18)/t4-
    ,6-,7+,8-/m1/s1;
    PCDQPRRSZKQHHS-CCXZUQQUSA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@@
    H]2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O
    )(O)OP(=O)(O)OP(=O)(O)O)O)O; NC1=NC(=O)N
    (C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)
    O[P](O)(O)=O)[CH](O)[CH]2O; C1=CN(C(=O)N
    =C1N)[C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)O)O)O; C=1N(C(=O)N=
    C(N)C=1)C2C(C(C(COP(OP(OP(=O)(O)O)(O)=O)
    (O)=O)O2)O)O    		 4-amino-1-{5-O-[(S)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one;
    Cytarabine-TRIPHOSPHATE
    22329 HF5 5 H12 Hf5 O21 InChI=1S/5Hf.12H2O.9O/h;;
    ;;;12*1H2;;;;;;;;;/q+1;2*
    +2;+3;+4;;;;;;;;;;;;;;;;;
    ;;;;/p-12;
    GIVDBOIHCZOXMU-UHFFFAOYSA-B    		 O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O2)(O4
    [Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(O)O)(O)(
    O)O; O[Hf]1(O[Hf]23(O[Hf]45(O[Hf]6(O1)(O
    2)([O@]4[Hf](O3)(O5)(O6)(O)(O)O)O)(O)O)(
    O)O)(O)(O)O; O[Hf]123O[Hf](O)(O)(O)(O)O[
    Hf]4(O)(O)(O1)O[Hf]5(O)(O)(O2)O[Hf](O)(O
    )(O)(O3)(O4)O5    		 HF OXO CLUSTER HF5
    22330 HF6
    CHEMBL146816
    ZINC000000153731    		 2 C10 H10 O3 InChI=1S/C10H10O3/c1-13-1
    0(12)7-4-8-2-5-9(11)6-3-8
    /h2-7,11H,1H3/b7-4+;
    NITWSHWHQAQBAW-QPJJXVBHSA-N    		 COC(=O)/C=C/c1ccc(O)cc1; COC(=O)C=Cc1ccc
    (O)cc1; COC(=O)C=Cc1ccc(cc1)O; COC(=O)/C
    =C/c1ccc(cc1)O    		 methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
    22331 HF7 16 C11 H18 N5 O12 P3 InChI=1S/C11H18N5O12P3/c1
    -5-14-10(12)9-11(15-5)16(
    4-13-9)8-2-6(17)7(26-8)3-
    25-30(21,22)28-31(23,24)2
    7-29(18,19)20/h4,6-8,17H,
    2-3H2,1H3,(H,21,22)(H,23,
    24)(H2,12,14,15)(H2,18,19
    ,20)/t6-,7+,8+/m0/s1;
    QIXLXEXDORUMBZ-XLPZGREQSA-N    		 Cc1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)O)O)N; Cc1nc(N)c2ncn([C
    @H]3C[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)(
    =O)O[P](O)(O)=O)O3)c2n1; Cc1nc(c2c(n1)n(
    cn2)[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)OP(
    =O)(O)OP(=O)(O)O)O)N; Cc1nc(N)c2ncn([CH]
    3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P
    ](O)(O)=O)O3)c2n1; c3(nc(c2c(n(C1CC(C(CO
    P(=O)(O)OP(OP(O)(O)=O)(=O)O)O1)O)cn2)n3)
    N)C    		 2'-deoxy-2-methyladenosine 5'-(tetrahydrogen triphosphate);
    Cladribine-TRIPHOSPHATE
    22332 HF8 2 C7 H14 O9 S InChI=1S/C7H14O9S/c8-1-2-
    3(9)4(10)5(11)6(12)7(2)16
    -17(13,14)15/h2-12H,1H2,(
    H,13,14,15)/t2-,3+,4+,5-,
    6+,7+/m1/s1;
    PDBNIRCVRHFXAD-ADTCQYHUSA-N    		 OC[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](
    O)[C@H]1O[S](O)(=O)=O; C(C1C(C(C(C(C1OS(
    =O)(=O)O)O)O)O)O)O; OC[CH]1[CH](O)[CH](O
    )[CH](O)[CH](O)[CH]1O[S](O)(=O)=O; C([C@
    @H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1OS(
    =O)(=O)O)O)O)O)O)O    		 [(1~{S},2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)cyclohexyl] hydrogen sulfate
    22333 HF9
    CHEMBL486026
    ZINC000000080786    		 2 C8 H8 O4 InChI=1S/C8H8O4/c1-12-8(1
    1)6-3-2-5(9)4-7(6)10/h2-4
    ,9-10H,1H3;
    IIFCLXHRIYTHPV-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1O)O; COC(=O)c1ccc(O)cc1O methyl 2,4-bis(oxidanyl)benzoate
    22334 HFA
    DB02494
    ZINC000000388089    		 9 C9 H10 O3 InChI=1S/C9H10O3/c10-8(9(
    11)12)6-7-4-2-1-3-5-7/h1-
    5,8,10H,6H2,(H,11,12)/t8-
    /m0/s1;
    VOXXWSYKYCBWHO-QMMMGPOBSA-N    		 c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H]
    (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H](
    Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 ALPHA-HYDROXY-BETA-PHENYL-PROPIONIC ACID
    22335 HFB
    ZINC000001583743    		 1 C6 F6 InChI=1S/C6F6/c7-1-2(8)4(
    10)6(12)5(11)3(1)9;
    ZQBFAOFFOQMSGJ-UHFFFAOYSA-N    		 Fc1c(F)c(F)c(F)c(F)c1F; c1(c(c(c(c(c1F)F
    )F)F)F)F    		 hexafluorobenzene
    22336 HFC
    CHEMBL244743
    ZINC000000057908    		 2 C9 H6 O4 InChI=1S/C9H6O4/c10-6-3-5
    -1-2-9(12)13-8(5)4-7(6)11
    /h1-4,10-11H;
    ILEDWLMCKZNDJK-UHFFFAOYSA-N    		 c1c2c(cc(c1O)O)OC(=O)C=C2; Oc1cc2OC(=O)C
    =Cc2cc1O    		 6,7-bis(oxidanyl)chromen-2-one
    22337 HFD
    CHEMBL4570249    		 6 C10 H15 F N5 O13 P3 InChI=1S/C10H15FN5O13P3/c
    11-10-14-7(12)4-8(15-10)1
    6(2-13-4)9-6(18)5(17)3(27
    -9)1-26-31(22,23)29-32(24
    ,25)28-30(19,20)21/h2-3,5
    -6,9,17-18H,1H2,(H,22,23)
    (H,24,25)(H2,12,14,15)(H2
    ,19,20,21)/t3-,5-,6+,9-/m
    1/s1;
    PIOKUWLZUXUBCO-FJFJXFQQSA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@H]([C@@H]([C@H](
    O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)F)N
    ; Nc1nc(F)nc2n(cnc12)[CH]3O[CH](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3
    O; c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OP(=O)(O)O)O)O)F)N; Nc1nc(F)nc2n
    (cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@@H]3O; O=P(
    OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)
    OP(OP(O)(O)=O)(O)=O    		 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a mine;
    Fludarabine-TRIPHOSPHATE
    22338 HFF 3 C21 H24 N4 O3 S2 InChI=1S/C21H24N4O3S2/c22
    -30(27,28)17-7-5-15(6-8-1
    7)9-11-23-21(29)24-13-19-
    18-4-2-1-3-16(18)10-12-25
    (19)20(26)14-24/h1-8,19H,
    9-14H2,(H,23,29)(H2,22,27
    ,28)/t19-/m0/s1;
    WAXCPJVEJJWBNS-IBGZPJMESA-N    		 N[S](=O)(=O)c1ccc(CCNC(=S)N2C[C@@H]3N(CC
    c4ccccc34)C(=O)C2)cc1; N[S](=O)(=O)c1ccc
    (CCNC(=S)N2C[CH]3N(CCc4ccccc34)C(=O)C2)c
    c1; c1ccc2c(c1)CCN3[C@H]2CN(CC3=O)C(=S)N
    CCc4ccc(cc4)S(=O)(=O)N; c1ccc2c(c1)CCN3C
    2CN(CC3=O)C(=S)NCCc4ccc(cc4)S(=O)(=O)N    		 4-oxo-N-(4-sulfamoylphenethyl)-1,3,4,6,7,11b-hexahydro-2H-pyrazino[2,1-a]isoquinoline-2-carbothioamide;
    (11b-R)-4-oxidanylidene-N-[2-(4-sulfamoylphenyl)ethyl]-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinoline-2-carbothioamide
    22339 HFG
    CHEMBL1199540
    DB04866
    ZINC000005784191    		 38 C16 H17 Br Cl N3 O3 InChI=1S/C16H17BrClN3O3/c
    17-11-6-13-10(5-12(11)18)
    16(24)21(8-20-13)7-9(22)4
    -14-15(23)2-1-3-19-14/h5-
    6,8,14-15,19,23H,1-4,7H2/
    t14-,15+/m1/s1;
    LVASCWIMLIKXLA-CABCVRRESA-N    		 c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)CC3C(CC
    CN3)O; c1c2c(cc(c1Cl)Br)N=CN(C2=O)CC(=O)
    C[C@@H]3[C@H](CCCN3)O; O[C@H]1CCCN[C@@H]
    1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2=O; O[CH]
    1CCCN[CH]1CC(=O)CN2C=Nc3cc(Br)c(Cl)cc3C2
    =O; Brc3c(Cl)cc1c(N=CN(C1=O)CC(=O)CC2NCC
    CC2O)c3    		 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one;
    Halofuginone
    22340 HFH 2 C27 H36 F N5 O4 S InChI=1S/C27H36FN5O4S/c1-
    16(2)12-20(26(36)33-13-19
    (28)24-23(33)22(34)14-37-
    24)29-25(35)18-6-4-17(5-7
    -18)21-15-38-27(30-21)32-
    10-8-31(3)9-11-32/h4-7,15
    -16,19-20,22-24,34H,8-14H
    2,1-3H3,(H,29,35)/t19-,20
    -,22-,23+,24+/m0/s1;
    BJRXVCXTMWVZKF-KVFBUXGHSA-N    		 CC(C)C[C@@H](C(=O)N1C[C@@H]([C@@H]2[C@H]
    1[C@H](CO2)O)F)NC(=O)c3ccc(cc3)c4csc(n4)
    N5CCN(CC5)C; CC(C)C[CH](NC(=O)c1ccc(cc1)
    c2csc(n2)N3CCN(C)CC3)C(=O)N4C[CH](F)[CH]
    5OC[CH](O)[CH]45; CC(C)C[C@H](NC(=O)c1cc
    c(cc1)c2csc(n2)N3CCN(C)CC3)C(=O)N4C[C@H]
    (F)[C@H]5OC[C@H](O)[C@@H]45; CC(C)CC(C(=
    O)N1CC(C2C1C(CO2)O)F)NC(=O)c3ccc(cc3)c4c
    sc(n4)N5CCN(CC5)C    		 ~{N}-[(2~{S})-1-[(3~{R},3~{a}~{R},6~{S},6~{a}~{S})-6-fluoranyl-3-oxidanyl-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]pyrrol-4-yl]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]benzamide
    22341 HFI
    CHEMBL14285
    ZINC000005765036    		 1 C12 H10 N2 O InChI=1S/C12H10N2O/c1-7-1
    2-10(4-5-13-7)9-3-2-8(15)
    6-11(9)14-12/h2-6,14-15H,
    1H3;
    SATMZMMKDDTOSQ-UHFFFAOYSA-N    		 Cc1c2c(ccn1)c3ccc(cc3[nH]2)O; Cc1nccc2c1
    [nH]c3cc(O)ccc23    		 1-methyl-9~{H}-pyrido[3,4-b]indol-7-ol;
    harmol
    22342 HFJ
    ZINC000022913448    		 1 C25 H34 N2 O3 InChI=1S/C25H34N2O3/c1-3-
    30-25-12-8-22(9-13-25)19-
    27-17-16-26(20-23(27)14-1
    8-28)15-4-5-21-6-10-24(29
    -2)11-7-21/h4-13,23,28H,3
    ,14-20H2,1-2H3/b5-4+/t23-
    /m0/s1;
    MBXADFLSFSJJOZ-OIUIXCLQSA-N    		 CCOc1ccc(cc1)CN2CCN(CC2CCO)CC=Cc3ccc(cc3
    )OC; CCOc1ccc(cc1)CN2CCN(CC2CCO)C/C=C/c3
    ccc(cc3)OC; CCOc1ccc(CN2CCN(C/C=C/c3ccc(
    OC)cc3)C[C@@H]2CCO)cc1; c3(CN2C(CCO)CN(C
    [C@H]=[C@H]c1ccc(cc1)OC)CC2)ccc(cc3)OCC;
    CCOc1ccc(CN2CCN(CC=Cc3ccc(OC)cc3)C[CH]2
    CCO)cc1    		 2-{(2S)-1-[(4-ethoxyphenyl)methyl]-4-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]piperazin-2-yl}ethan-1-ol;
    RG6
    22343 HFK
    CHEMBL1325876
    ZINC000006492394    		 38 C20 H22 N4 O2 InChI=1S/C20H22N4O2/c25-1
    5-9-6-8-14-17(15)20(11-4-
    1-5-12-20)24-18(21-14)23-
    19-22-13-7-2-3-10-16(13)2
    6-19/h2-3,7,10H,1,4-6,8-9
    ,11-12H2,(H2,21,22,23,24);
    AZBGHUMVHJKFOO-UHFFFAOYSA-N    		 c1ccc2c(c1)nc(o2)NC3=NC4(CCCCC4)C5=C(N3)
    CCCC5=O; O=C1CCCC2=C1C3(CCCCC3)N=C(N2)Nc
    4oc5ccccc5n4    		 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one
    22344 HFL
    DB04449
    ZINC000008206678    		 1 C10 H12 O5 InChI=1S/C10H12O5/c1-15-8
    -5-6(2-3-9(12)13)4-7(11)1
    0(8)14/h2-5,9,11-14H,1H3/
    b3-2+;
    QQVLKPZAOPJJCB-NSCUHMNNSA-N    		 COc1cc(C=CC(O)O)cc(O)c1O; COc1cc(\C=C\C(
    O)O)cc(O)c1O; COc1cc(cc(c1O)O)\C=C\C(O)O
    ; COc1cc(cc(c1O)O)C=CC(O)O; O(c1cc(cc(O)
    c1O)/C=C/C(O)O)C    		 5-(3,3-DIHYDROXYPROPENY)-3-METHOXY-BENZENE-1,2-DIOL
    22345 HFM
    DB03224    		 1 C33 H32 Fe N4 O5 InChI=1S/C33H32N4O5.Fe/c1
    -6-20-16(2)26-13-31-23(15
    -38)19(5)25(37-31)11-24-1
    7(3)21(7-9-32(39)40)29(35
    -24)14-30-22(8-10-33(41)4
    2)18(4)27(36-30)12-28(20)
    34-26;/h6,11-15,20,38H,1,
    7-10H2,2-5H3,(H,39,40)(H,
    41,42);/q-4;+4/b23-15-,24
    -11-,28-12-,29-14-,31-13-
    ;/t20-;/m1./s1;
    FHUDUDXQVBEXIJ-VAASEELXSA-N    		 Cc1c2n3c(c1CCC(=O)O)C=C4C(=C(C5=CC6=C(C(
    =CO)C7=CC8=C(C(C(=C2)N8[Fe]3(N45)N76)C=C
    )C)C)C)CCC(=O)O; CC1=C2C=C3N4C(=C(C)\C3=
    C\O)C=C5N6C(=Cc7n8c(C=C([C@@H]1C=C)N2[Fe
    @]468)c(C)c7CCC(O)=O)C(=C5C)CCC(O)=O; CC
    1=C2C=C3N4C(=C(C)C3=CO)C=C5N6C(=Cc7n8c(C
    =C([CH]1C=C)N2[Fe]468)c(C)c7CCC(O)=O)C(=
    C5C)CCC(O)=O; O=C(O)CCC1=C(C2=CC4=C(C(\C
    3=CC5=C(C)C(\C=C)C6=Cc8c(c(c7C=C1N2[Fe](
    N34)(N56)n78)CCC(=O)O)C)=C\O)C)C    		 2-FORMYL-PROTOPORPHRYN IX
    22346 HFN
    CHEMBL3337829
    ZINC000200980873    		 1 C21 H18 F3 N3 O3 InChI=1S/C21H18F3N3O3/c1-
    12-19(14-4-7-17-16(8-14)2
    5-18(29)9-30-17)20(13-2-5
    -15(22)6-3-13)27(26-12)10
    -21(23,24)11-28/h2-8,28H,
    9-11H2,1H3,(H,25,29);
    YPCPZZOTKIPGMW-UHFFFAOYSA-N    		 Cc1nn(CC(F)(F)CO)c(c2ccc(F)cc2)c1c3ccc4O
    CC(=O)Nc4c3; Cc1c(c(n(n1)CC(CO)(F)F)c2cc
    c(cc2)F)c3ccc4c(c3)NC(=O)CO4; Fc1ccc(cc1
    )c4n(nc(c4c3ccc2OCC(=O)Nc2c3)C)CC(F)(F)C
    O    		 6-[1-(2,2-difluoro-3-hydroxypropyl)-5-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2H-1,4-benzoxazin-3(4H)-one
    22347 HFO
    CHEMBL243161
    ZINC000000900177    		 2 C8 H8 O3 InChI=1S/C8H8O3/c1-5(9)6-
    2-3-7(10)8(11)4-6/h2-4,10
    -11H,1H3;
    UCQUAMAQHHEXGD-UHFFFAOYSA-N    		 CC(=O)c1ccc(c(c1)O)O; CC(=O)c1ccc(O)c(O)
    c1    		 1-[3,4-bis(oxidanyl)phenyl]ethanone
    22348 HFP
    DB07895
    ZINC000006762173    		 8 C15 H33 O4 P InChI=1S/C15H33O4P/c1-12(
    2)7-5-8-13(3)9-6-10-14(4)
    11-15(16)20(17,18)19/h12-
    16H,5-11H2,1-4H3,(H2,17,1
    8,19)/t13-,14-,15+/m1/s1;
    IJNCEETVCWDDQB-KFWWJZLASA-N    		 CC(C)CCC[CH](C)CCC[CH](C)C[CH](O)[P](O)(
    O)=O; O=P(O)(O)C(O)CC(CCCC(C)CCCC(C)C)C;
    CC(C)CCC[C@@H](C)CCC[C@@H](C)C[C@@H](O)
    [P](O)(O)=O; CC(C)CCCC(C)CCCC(C)C[C@@H](
    O)P(=O)(O)O; CC(C)CCCC(C)CCCC(C)CC(O)P(=
    O)(O)O    		 ALPHA-HYDROXYFARNESYLPHOSPHONIC ACID
    22349 HFQ
    ZINC000214185655    		 16 C29 H42 N7 O19 P3 S InChI=1S/C29H42N7O19P3S/c
    1-29(2,24(42)27(43)32-6-5
    -20(40)31-7-8-59-11-18(39
    )16-4-3-15(37)9-17(16)38)
    12-52-58(49,50)55-57(47,4
    8)51-10-19-23(54-56(44,45
    )46)22(41)28(53-19)36-14-
    35-21-25(30)33-13-34-26(2
    1)36/h3-4,9,13-14,19,22-2
    4,28,37-38,41-42H,5-8,10-
    12H2,1-2H3,(H,31,40)(H,32
    ,43)(H,47,48)(H,49,50)(H2
    ,30,33,34)(H2,44,45,46)/t
    19-,22-,23-,24+,28-/m1/s1;
    WNZSFAUZOOBNIR-VXAHOBLNSA-N    		 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCSCC(=O)c4ccc(
    O)cc4O; CC(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@@H](O)C(=O)NCCC(=O)N
    CCSCC(=O)c4ccc(O)cc4O; CC(C)(CO[P@](=O)(
    O)O[P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@
    H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](
    C(=O)NCCC(=O)NCCSCC(=O)c4ccc(cc4O)O)O; C
    C(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2c
    nc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)
    NCCSCC(=O)c4ccc(cc4O)O)O; O=C(c1ccc(O)cc
    1O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C
    4OP(=O)(O)O    		 2,4-dihydroxyphenacyl coenzyme A
    22350 HFR 2 C19 H22 Br N7 O7 S InChI=1S/C19H22BrN7O7S/c2
    0-10-3-1-2-9(4-10)11(21)5
    -13(28)26-35(31,32)33-6-1
    2-15(29)16(30)19(34-12)27
    -8-25-14-17(22)23-7-24-18
    (14)27/h1-4,7-8,11-12,15-
    16,19,29-30H,5-6,21H2,(H,
    26,28)(H2,22,23,24)/t11-,
    12+,15+,16+,19+/m0/s1;
    WNUVXRXSVWIUPZ-NSDPQSHHSA-N    		 c1cc(cc(c1)Br)[C@H](CC(=O)NS(=O)(=O)OC[C
    @@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4
    N)O)O)N; N[CH](CC(=O)N[S](=O)(=O)OC[CH]1
    O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4c
    ccc(Br)c4; c1cc(cc(c1)Br)C(CC(=O)NS(=O)(
    =O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N; N[
    C@@H](CC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23)c4cccc(
    Br)c4    		 [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl N-[(3S)-3-azanyl-3-(3-bromophenyl)propanoyl]sulfamate
    22351 HFS
    CHEMBL1233300
    DB04707
    ZINC000013815406    		 3 C14 H17 N3 O3 S InChI=1S/C14H17N3O3S/c18-
    14-12-3-1-4-13(11(12)5-7-
    16-14)21(19,20)17-9-2-6-1
    5-8-10-17/h1,3-5,7,15H,2,
    6,8-10H2,(H,16,18);
    ZAVGJDAFCZAWSZ-UHFFFAOYSA-N    		 c1cc2c(ccnc2O)c(c1)S(=O)(=O)[N@]3CCCNCC3
    ; O=S(=O)(c2c1ccnc(O)c1ccc2)N3CCCNCC3; c
    1cc2c(ccnc2O)c(c1)S(=O)(=O)N3CCCNCC3; Oc
    1nccc2c1cccc2[S](=O)(=O)N3CCCNCC3    		 1-(1-HYDROXY-5-ISOQUINOLINESULFONYL)HOMOPIPERAZINE;
    HYDROXYFASUDIL
    22352 HFT
    CHEMBL491
    ZINC000004655055    		 8 C11 H11 F3 N2 O4 InChI=1S/C11H11F3N2O4/c1-
    10(2,18)9(17)15-6-3-4-8(1
    6(19)20)7(5-6)11(12,13)14
    /h3-5,18H,1-2H3,(H,15,17);
    YPQLFJODEKMJEF-UHFFFAOYSA-N    		 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([
    O-])=O; FC(F)(F)c1cc(ccc1[N+]([O-])=O)NC
    (=O)C(O)(C)C; CC(C)(C(=O)Nc1ccc(c(c1)C(F
    )(F)F)[N+](=O)[O-])O    		 HYDROXYFLUTAMIDE;
    2-HYDROXY-2-METHYL-N-(4-NITRO-3-(TRIFLUOROMETHYL)PHENYL)PROPANAMIDE;
    HYDROXYNIPHTHOLIDE
    22353 HFU 3 C28 H23 N3 O4 S InChI=1S/C28H23N3O4S/c1-1
    7-12-25-23-13-18(16-36(2,
    34)35)10-11-24(23)30(15-2
    0-14-29-27(32)26(17)31(20
    )25)28(33)22-9-5-7-19-6-3
    -4-8-21(19)22/h3-14H,15-1
    6H2,1-2H3,(H,29,32);
    SVWVGWHDUPYUFQ-UHFFFAOYSA-N    		 Cc1cc-2n3c1C(=O)NC=C3CN(c4c2cc(cc4)CS(=O
    )(=O)C)C(=O)c5cccc6c5cccc6; Cc1cc2n3C(=C
    NC(=O)c13)CN(C(=O)c4cccc5ccccc45)c6ccc(C
    [S](C)(=O)=O)cc26    		 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one
    22354 HFV
    ZINC000016051840    		 1 C14 H19 F6 N3 O6 S InChI=1S/C14H19F6N3O6S/c1
    5-13(16,17)9(14(18,19)20)
    8(12(28)29)23-10(25)6(4-3
    0)22-7(24)3-1-2-5(21)11(2
    6)27/h5-6,8-9,30H,1-4,21H
    2,(H,22,24)(H,23,25)(H,26
    ,27)(H,28,29)/t5-,6-,8-/m
    0/s1;
    IPFVQRRDLLEXCD-HAFWLYHUSA-N    		 N[C@@H](CCCC(=O)N[C@@H](CS)C(=O)N[C@@H](
    C(C(F)(F)F)C(F)(F)F)C(O)=O)C(O)=O; C(C[C
    @@H](C(=O)O)N)CC(=O)N[C@@H](CS)C(=O)N[C@
    @H](C(C(F)(F)F)C(F)(F)F)C(=O)O; N[CH](CC
    CC(=O)N[CH](CS)C(=O)N[CH](C(C(F)(F)F)C(F
    )(F)F)C(O)=O)C(O)=O; O=C(NC(C(=O)O)C(C(F
    )(F)F)C(F)(F)F)C(NC(=O)CCCC(C(=O)O)N)CS;
    C(CC(C(=O)O)N)CC(=O)NC(CS)C(=O)NC(C(C(F
    )(F)F)C(F)(F)F)C(=O)O    		 DELTA-(L-ALPHA-AMINOADIPOYL)-L-CYSTEINYL-L-3,3,3,3',3',3'-HEXAFLUOROVALINE
    22355 HFW 1 Hf O61 P2 W17 ;
    		 Dawson-type polyoxometalate
    22356 HFX
    ZINC000004351318    		 2 C9 H9 Cl O2 S2 InChI=1S/C9H9ClO2S2/c1-14
    (12)9-7-5(8(10)13-9)3-2-4
    -6(7)11/h2-4H2,1H3/t14-/m
    0/s1;
    PGSSJIDFZJTWLZ-AWEZNQCLSA-N    		 C[S](=O)c1sc(Cl)c2CCCC(=O)c12; C[S@](=O)
    c1sc(Cl)c2CCCC(=O)c12; CS(=O)c1c2c(c(s1)
    Cl)CCCC2=O    		 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one
    22357 HFY
    CHEMBL3427680
    ZINC000299861233    		 3 C17 H19 Cl N6 O4 InChI=1S/C17H19ClN6O4/c18
    -9-4-2-1-3-8(9)5-20-17-23
    -11-14(19)21-7-22-15(11)2
    4(17)16-13(27)12(26)10(6-
    25)28-16/h1-4,7,10,12-13,
    16,25-27H,5-6H2,(H,20,23)
    (H2,19,21,22)/t10-,12-,13
    -,16-/m1/s1;
    HXRSLQGBEUJHPP-XNIJJKJLSA-N    		 Nc1ncnc2n([CH]3O[CH](CO)[CH](O)[CH]3O)c(
    NCc4ccccc4Cl)nc12; Nc1ncnc2n([C@@H]3O[C@
    H](CO)[C@@H](O)[C@H]3O)c(NCc4ccccc4Cl)nc
    12; OC4C(n2c(nc1c(N)ncnc12)NCc3ccccc3Cl)
    OC(CO)C4O; c1ccc(c(c1)CNc2nc3c(ncnc3n2C4
    C(C(C(O4)CO)O)O)N)Cl; c1ccc(c(c1)CNc2nc3
    c(ncnc3n2[C@H]4[C@@H]([C@@H]([C@H](O4)CO
    )O)O)N)Cl    		 8-{[(2-chlorophenyl)methyl]amino}adenosine
    22358 HFZ
    CHEMBL1763
    DB00774
    ZINC000000897225    		 5 C8 H8 F3 N3 O4 S2 InChI=1S/C8H8F3N3O4S2/c9-
    8(10,11)4-1-5-7(2-6(4)19(
    12,15)16)20(17,18)14-3-13
    -5/h1-2,13-14H,3H2,(H2,12
    ,15,16);
    DMDGGSIALPNSEE-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)
    (F)F; c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)
    C(F)(F)F; FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c
    2)S(=O)(=O)N    		 6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
    22359 HG 51 Hg InChI=1S/Hg/q+2;
    BQPIGGFYSBELGY-UHFFFAOYSA-N    		 [Hg++]; [Hg+2] MERCURY (II) ION
    22360 HG0
    CHEMBL436559
    DB06468
    ZINC000013474734    		 2 C12 H17 N3 O3 S InChI=1S/C12H17N3O3S/c1-7
    (2)9-5-4-8(11(16)15-12(13
    )14)6-10(9)19(3,17)18/h4-
    7H,1-3H3,(H4,13,14,15,16);
    IWXNYAIICFKCTM-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1S(=O)(=O)C)C(=O)N=C(N)N; C
    C(C)c1ccc(cc1[S](C)(=O)=O)C(=O)N=C(N)N    		 N-[bis(azanyl)methylidene]-3-methylsulfonyl-4-propan-2-yl-benzamide
    22361 HG1
    ZINC000098208992    		 4 C18 H35 N O7 InChI=1S/C18H35NO7/c20-10
    -9-19(11-14(22)17(25)18(2
    6)15(23)12-21)16(24)8-4-7
    -13-5-2-1-3-6-13/h13-15,1
    7-18,20-23,25-26H,1-12H2/
    t14-,15+,17+,18+/m0/s1;
    XAMJEPWYNXYYBT-BURFUSLBSA-N    		 C1CCC(CC1)CCCC(=O)N(CCO)C[C@@H]([C@H]([C
    @@H]([C@@H](CO)O)O)O)O; OCCN(C[C@H](O)[C
    @@H](O)[C@H](O)[C@H](O)CO)C(=O)CCCC1CCCC
    C1; O=C(N(CC(O)C(O)C(O)C(O)CO)CCO)CCCC1C
    CCCC1; C1CCC(CC1)CCCC(=O)N(CCO)CC(C(C(C(
    CO)O)O)O)O; OCCN(C[CH](O)[CH](O)[CH](O)[
    CH](O)CO)C(=O)CCCC1CCCCC1    		 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol;
    C-HEGA-10
    22362 HG2 0 Br2 Hg InChI=1S/2BrH.Hg/h2*1H;/q
    ;;+2/p-2;
    NGYIMTKLQULBOO-UHFFFAOYSA-L    		 Br[Hg]Br DIBROMOMERCURY
    22363 HG3 4 C3 H9 O7 P InChI=1S/C3H9O7P/c4-2(3(5
    )6)1-10-11(7,8)9/h2-6H,1H
    2,(H2,7,8,9)/t2-/m1/s1;
    TWWJQBIRJNUHBT-UWTATZPHSA-N    		 C(C(C(O)O)O)OP(=O)(O)O; OC(O)[CH](O)CO[P
    ](O)(O)=O; OC(O)[C@H](O)CO[P](O)(O)=O; C
    ([C@H](C(O)O)O)OP(=O)(O)O    		 [(2~{R})-2,3,3-tris(oxidanyl)propyl] dihydrogen phosphate
    22364 HG4
    CHEMBL4440744    		 2 C34 H38 N12 O4 InChI=1S/C34H38N12O4/c1-5
    -45-27(15-19(3)41-45)31(4
    9)39-33-37-23-17-21(29(35
    )47)9-11-25(23)43(33)13-7
    -8-14-44-26-12-10-22(30(3
    6)48)18-24(26)38-34(44)40
    -32(50)28-16-20(4)42-46(2
    8)6-2/h9-12,15-18H,5-8,13
    -14H2,1-4H3,(H2,35,47)(H2
    ,36,48)(H,37,39,49)(H,38,
    40,50);
    ICZSAXDKFXTSGL-UHFFFAOYSA-N    		 CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2CCCCn4
    c5ccc(cc5nc4NC(=O)c6cc(nn6CC)C)C(=O)N)C(
    =O)N; CCn1nc(C)cc1C(=O)Nc2nc3cc(ccc3n2CC
    CCn4c(NC(=O)c5cc(C)nn5CC)nc6cc(ccc46)C(N
    )=O)C(N)=O; c6(cc(C(Nc2n(c1c(cc(cc1)C(N)
    =O)n2)CCCCn5c(NC(c3n(CC)nc(c3)C)=O)nc4c5
    ccc(c4)C(=O)N)=O)n(CC)n6)C    		 1,1'-(butane-1,4-diyl)bis{2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1H-benzimidazole-5-carboxamide}
    22365 HG5
    CHEMBL4469087    		 3 C30 H38 N6 O2 InChI=1S/C30H38N6O2/c1-5-
    25-29(37)35(4)26-19-31-30
    (33-28(26)36(25)20-21-10-
    8-7-9-11-21)32-24-13-12-2
    3(18-27(24)38-6-2)22-14-1
    6-34(3)17-15-22/h7-13,18-
    19,22,25H,5-6,14-17,20H2,
    1-4H3,(H,31,32,33)/t25-/m
    1/s1;
    TWABWUVZWXSPTC-RUZDIDTESA-N    		 CCC1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(c
    c4OCC)C5CCN(CC5)C)C; CCOc1cc(ccc1Nc2ncc3
    N(C)C(=O)[CH](CC)N(Cc4ccccc4)c3n2)C5CCN(
    C)CC5; CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[C@@H
    ](CC)N(Cc4ccccc4)c3n2)C5CCN(C)CC5; CC[C@
    @H]1C(=O)N(c2cnc(nc2N1Cc3ccccc3)Nc4ccc(c
    c4OCC)C5CCN(CC5)C)C    		 (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-(phenylmethyl)-7~{H}-pteridin-6-one
    22366 HG6
    CHEMBL4849950    		 2 C15 H7 Cl O4 InChI=1S/C15H7ClO4/c16-11
    -6-7(15(19)20)5-10-12(11)
    14(18)9-4-2-1-3-8(9)13(10
    )17/h1-6H,(H,19,20);
    WRJVLGUSGCVLDE-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)c3cc(cc(c3C2=O)Cl)C(=O)O
    ; OC(=O)c1cc(Cl)c2C(=O)c3ccccc3C(=O)c2c1    		 4-chloranyl-9,10-bis(oxidanylidene)anthracene-2-carboxylic acid
    22367 HG7
    ZINC000083385171    		 0 C13 H21 N3 O2 InChI=1S/C13H21N3O2/c1-16
    (2)8-4-7-15-13(18)12(14)1
    0-5-3-6-11(17)9-10/h3,5-6
    ,9,12,17H,4,7-8,14H2,1-2H
    3,(H,15,18)/t12-/m0/s1;
    KSEUOWAHQDFOCP-LBPRGKRZSA-N    		 CN(C)CCCNC(=O)[CH](N)c1cccc(O)c1; CN(C)C
    CCNC(=O)[C@@H](N)c1cccc(O)c1; CN(C)CCCNC
    (=O)[C@H](c1cccc(c1)O)N; CN(C)CCCNC(=O)C
    (c1cccc(c1)O)N    		 (2S)-2-azanyl-N-[3-(dimethylamino)propyl]-2-(3-hydroxyphenyl)ethanamide
    22368 HG8
    CHEMBL4449858    		 2 C29 H38 N6 O2 S InChI=1S/C29H38N6O2S/c1-6
    -24-28(36)34(5)25-16-30-2
    9(32-27(25)35(24)17-22-14
    -19(3)18-38-22)31-23-9-8-
    21(15-26(23)37-7-2)20-10-
    12-33(4)13-11-20/h8-9,14-
    16,18,20,24H,6-7,10-13,17
    H2,1-5H3,(H,30,31,32)/t24
    -/m1/s1;
    RKWOVOVDWBRGQO-XMMPIXPASA-N    		 CCC1C(=O)N(c2cnc(nc2N1Cc3cc(cs3)C)Nc4ccc
    (cc4OCC)C5CCN(CC5)C)C; CCOc1cc(ccc1Nc2nc
    c3N(C)C(=O)[C@@H](CC)N(Cc4scc(C)c4)c3n2)
    C5CCN(C)CC5; CC[C@@H]1C(=O)N(c2cnc(nc2N1
    Cc3cc(cs3)C)Nc4ccc(cc4OCC)C5CCN(CC5)C)C;
    CCOc1cc(ccc1Nc2ncc3N(C)C(=O)[CH](CC)N(C
    c4scc(C)c4)c3n2)C5CCN(C)CC5    		 (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one
    22369 HG9
    DB01970
    ZINC000014880162    		 3 C17 H35 N O7 InChI=1S/C17H35NO7/c1-2-3
    -4-5-6-7-8-15(23)18(9-10-
    19)11-13(21)16(24)17(25)1
    4(22)12-20/h13-14,16-17,1
    9-22,24-25H,2-12H2,1H3/t1
    3-,14+,16-,17+/m1/s1;
    REPLXGVUTGZQCG-WTTBNOFXSA-N    		 CCCCCCCCC(=O)N(CCO)C[CH](O)[CH](O)[CH](O
    )[CH](O)CO; CCCCCCCCC(=O)N(CCO)C[C@@H](O
    )[C@@H](O)[C@@H](O)[C@@H](O)CO; CCCCCCCC
    C(=O)N(CCO)CC(C(C(C(CO)O)O)O)O; CCCCCCCC
    C(=O)N(CCO)C[C@H]([C@H]([C@H]([C@H](CO)O
    )O)O)O; O=C(N(CCO)CC(O)C(O)C(O)C(O)CO)CC
    CCCCCC    		 1-DEOXY-1-[(2-HYDROXYETHYL)(NONANOYL)AMINO]HEXITOL;
    HG9A-9;
    NONANOYL-N-HYDROXYETHYLGLUCAMIDE
    22370 HGA
    CHEMBL63893
    DB02446
    ZINC000002522574    		 4 C5 H10 N2 O4 InChI=1S/C5H10N2O4/c6-3(5
    (9)10)1-2-4(8)7-11/h3,11H
    ,1-2,6H2,(H,7,8)(H,9,10)/
    t3-/m0/s1;
    YVGZXTQJQNXIAU-VKHMYHEASA-N    		 N[C@@H](CCC(=O)NO)C(O)=O; O=C(NO)CCC(C(=
    O)O)N; N[CH](CCC(=O)NO)C(O)=O; C(CC(=O)N
    O)C(C(=O)O)N; C(CC(=O)NO)[C@@H](C(=O)O)N    		 GLUTAMINE HYDROXAMATE
    22371 HGB
    DB01671    		 26 C7 H6 Hg O3 InChI=1S/C7H5O2.Hg.H2O/c8
    -7(9)6-4-2-1-3-5-6;;/h2-5
    H,(H,8,9);;1H2/q;+1;/p-1;
    WMHRYLDWLOGHSG-UHFFFAOYSA-M    		 O=C(O)c1ccc([Hg]O)cc1; c1cc(ccc1C(=O)O)[
    Hg]O; O[Hg]c1ccc(cc1)C(O)=O    		 4-(HYDROXYMERCURY)BENZOIC ACID
    22372 HGC 0 C H3 Hg InChI=1/CH3.Hg/h1H3;/q;+1
    /rCH3Hg/c1-2/h1H3/q+1;
    DBUXSCUEGJMZAE-JPUIZPALAZ    		 C[Hg+]; [Hg+]C METHYL MERCURY ION
    22373 HGD 2 C20 H32 Hg N6 O12 S2 InChI=1S/2C10H17N3O6S.Hg/
    c2*11-5(10(18)19)1-2-7(14
    )13-6(4-20)9(17)12-3-8(15
    )16;/h2*5-6,20H,1-4,11H2,
    (H,12,17)(H,13,14)(H,15,1
    6)(H,18,19);/q;;+2/p-2/t2
    *5-,6-;/m00./s1;
    LUQCMRZJGIPGCC-PRKWKTPOSA-L    		 N[CH](CCC(=O)N[CH](CS[Hg]SC[CH](NC(=O)CC
    [CH](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=
    O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CS[Hg]S
    C[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O
    )=O)C(=O)NCC(O)=O)C(O)=O; O=C(NC(C(=O)NC
    C(=O)O)CS[Hg]SCC(C(=O)NCC(=O)O)NC(=O)CCC
    (C(=O)O)N)CCC(C(=O)O)N; C(CC(=O)N[C@@H](
    CS[Hg]SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@
    @H](C(=O)O)N)C(=O)NCC(=O)O)[C@@H](C(=O)O
    )N; C(CC(=O)NC(CS[Hg]SCC(C(=O)NCC(=O)O)N
    C(=O)CCC(C(=O)O)N)C(=O)NCC(=O)O)C(C(=O)O
    )N    		 mercury bis(L-gamma-glutamyl-3-sulfido-L-alanylglycine);
    S-Mercury glutathione
    22374 HGE
    ZINC000000244880    		 3 C12 H17 N3 O2 InChI=1S/C12H17N3O2/c1-2-
    17-12(16)10-3-7-15(8-4-10
    )11-9-13-5-6-14-11/h5-6,9
    -10H,2-4,7-8H2,1H3;
    QYHCUDIPSWPYON-UHFFFAOYSA-N    		 CCOC(=O)C1CCN(CC1)c2cnccn2 ethyl 1-pyrazin-2-ylpiperidine-4-carboxylate
    22375 HGF
    CHEMBL1614995
    ZINC000064744267    		 1 C22 H20 N4 O3 InChI=1S/C22H20N4O3/c1-28
    -6-7-29-15-8-14(10-23-12-
    15)19-9-17-13(11-25-19)2-
    3-16-20-18(26-21(16)17)4-
    5-24-22(20)27/h2-3,8-12,2
    6H,4-7H2,1H3,(H,24,27);
    ZYTDQGRQFPNBGA-UHFFFAOYSA-N    		 O=C2c1c3c(nc1CCN2)c5c(cc3)cnc(c4cc(OCCOC
    )cnc4)c5; COCCOc1cncc(c1)c2cc3c4[nH]c5CC
    NC(=O)c5c4ccc3cn2; COCCOc1cc(cnc1)c2cc3c
    (ccc4c3[nH]c5c4C(=O)NCC5)cn2    		 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one
    22376 HGG
    ZINC000197905676    		 1 C26 H42 N7 O20 P3 S InChI=1S/C26H42N7O20P3S/c
    1-26(2,21(40)24(41)29-4-3
    -15(35)28-5-6-57-17(38)8-
    13(34)7-16(36)37)10-50-56
    (47,48)53-55(45,46)49-9-1
    4-20(52-54(42,43)44)19(39
    )25(51-14)33-12-32-18-22(
    27)30-11-31-23(18)33/h11-
    14,19-21,25,34,39-40H,3-1
    0H2,1-2H3,(H,28,35)(H,29,
    41)(H,36,37)(H,45,46)(H,4
    7,48)(H2,27,30,31)(H2,42,
    43,44)/t13-,14+,19+,20+,2
    1-,25+/m0/s1;
    IIYZSYKTQRIPRG-UPWLPGGHSA-N    		 O=C(O)CC(O)CC(=O)SCCNC(=O)CCNC(=O)C(O)C(
    C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3OP(=O)(O)O; CC(C)(CO[P](O)
    (=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1
    O[P](O)(O)=O)n2cnc3c(N)ncnc23)[CH](O)C(=
    O)NCCC(=O)NCCSC(=O)C[CH](O)CC(O)=O; CC(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)nc
    nc23)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)C[C@
    @H](O)CC(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(CC(=O)O)O)O;
    CC(C)(CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    OP(=O)(O)O)[C@H](C(=O)NCCC(=O)NCCSC(=O)C
    [C@H](CC(=O)O)O)O    		 (3R,5S,9R,21S)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,21-tetrahydroxy-8,8-dimethyl-10,14,19-trioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide;
    3-Hydroxyl Glutaryl CoA
    22377 HGH
    CHEMBL4464064    		 1 C13 H11 N5 O3 InChI=1S/C13H11N5O3/c14-1
    3-17-11-10(15-6-16-11)12(
    18-13)21-8-3-1-2-7(4-8)5-
    9(19)20/h1-4,6H,5H2,(H,19
    ,20)(H3,14,15,16,17,18);
    BLWZOYNPKKUDEW-UHFFFAOYSA-N    		 Nc1nc2[nH]cnc2c(Oc3cccc(CC(O)=O)c3)n1; c
    1cc(cc(c1)Oc2c3c([nH]cn3)nc(n2)N)CC(=O)O    		 2-[3-[(2-azanyl-9~{H}-purin-6-yl)oxy]phenyl]ethanoic acid
    22378 HGI
    DB04445    		 2 Hg I2 InChI=1S/Hg.2HI/h;2*1H/q+
    2;;/p-2;
    YFDLHELOZYVNJE-UHFFFAOYSA-L    		 I[Hg]I MERCURY (II) IODIDE;
    MERCURY DIIODIDE
    22379 HGJ 1 C23 H24 N6 O3 InChI=1S/C23H24N6O3/c1-3-
    29-19(11-14(2)27-29)22(32
    )26-23-25-17-12-16(21(24)
    31)9-10-18(17)28(23)13-20
    (30)15-7-5-4-6-8-15/h4-12
    ,20,30H,3,13H2,1-2H3,(H2,
    24,31)(H,25,26,32)/t20-/m
    0/s1;
    NMXJYHHOVIHSBO-FQEVSTJZSA-N    		 CCn1c(cc(n1)C)C(=O)Nc2nc3cc(ccc3n2C[C@@H
    ](c4ccccc4)O)C(=O)N; CCn1c(cc(n1)C)C(=O)
    Nc2nc3cc(ccc3n2CC(c4ccccc4)O)C(=O)N; CCn
    1nc(C)cc1C(=O)Nc2nc3cc(ccc3n2C[CH](O)c4c
    cccc4)C(N)=O; c1c3c(cc(c1)C(N)=O)nc(NC(c
    2cc(nn2CC)C)=O)n3CC(O)c4ccccc4; CCn1nc(C
    )cc1C(=O)Nc2nc3cc(ccc3n2C[C@H](O)c4ccccc
    4)C(N)=O    		 2-[(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)amino]-1-[(2R)-2-hydroxy-2-phenylethyl]-1H-benzimidazole-5-carboxamide
    22380 HGK 1 C13 H11 N O4 InChI=1S/C13H11NO4/c15-12
    -8-11(5-6-14-12)18-10-3-1
    -9(2-4-10)7-13(16)17/h1-6
    H,7-8H2,(H,16,17);
    WRCYZEFOPRPDCR-UHFFFAOYSA-N    		 c1cc(ccc1CC(=O)O)OC2=CC=NC(=O)C2; OC(=O)
    Cc1ccc(OC2=CC=NC(=O)C2)cc1    		 2-[4-[(2-oxidanylidene-3~{H}-pyridin-4-yl)oxy]phenyl]ethanoic acid
    22381 HGL 0 C9 H12 N6 O3 InChI=1S/C9H12N6O3/c10-4(
    8(17)18)1-2-15-3-12-5-6(1
    5)13-9(11)14-7(5)16/h3-4H
    ,1-2,10H2,(H,17,18)(H3,11
    ,13,14,16)/t4-/m0/s1;
    GDUSYGWHRRYUNO-BYPYZUCNSA-N    		 N[C@@H](CCn1cnc2C(=O)NC(=Nc12)N)C(O)=O;
    c1nc2c(n1CCC(C(=O)O)N)N=C(NC2=O)N; c1nc2
    c(n1CC[C@@H](C(=O)O)N)N=C(NC2=O)N; N[CH]
    (CCn1cnc2C(=O)NC(=Nc12)N)C(O)=O; O=C(O)C
    (N)CCn1c2N=C(NC(=O)c2nc1)N    		 (2S)-2-amino-4-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butanoic acid
    22382 HGM 0 C9 H11 N O3 InChI=1S/C9H11NO3/c1-10-8
    (9(12)13)6-2-4-7(11)5-3-6
    /h2-5,8,10-11H,1H3,(H,12,
    13)/t8-/m1/s1;
    IGBFTIYLYPOJFU-MRVPVSSYSA-N    		 CN[C@H](c1ccc(cc1)O)C(=O)O; CN[CH](C(O)=
    O)c1ccc(O)cc1; CN[C@@H](C(O)=O)c1ccc(O)c
    c1; CNC(c1ccc(cc1)O)C(=O)O    		 (2R)-2-(4-hydroxyphenyl)-2-(methylamino)ethanoic acid
    22383 HGN 0 Hg2 InChI=1S/2Hg;
    KYKQHSMYWLWROM-UHFFFAOYSA-N    		 [Hg].[Hg]; [Hg][Hg] mercuriomercury
    22384 HGP 0 C38 H77 N O8 P InChI=1S/C38H76NO8P/c1-6-
    8-10-12-14-16-18-19-21-22
    -24-26-28-30-37(40)44-34-
    36(35-46-48(42,43)45-33-3
    2-39(3,4)5)47-38(41)31-29
    -27-25-23-20-17-15-13-11-
    9-7-2/h36H,6-35H2,1-5H3/p
    +1/t36-/m1/s1;
    UIXXHROAQSBBOV-PSXMRANNSA-O    		 O=C(OCC(OC(=O)CCCCCCCCCCCCC)COP(=O)(OCC[
    N+](C)(C)C)O)CCCCCCCCCCCCCCC; CCCCCCCCCC
    CCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](
    C)(C)C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCC
    CCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)
    C)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CC
    CCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H]
    (CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC
    CCCCCCC    		 (1-HEXADECANOYL-2-TETRADECANOYL-GLYCEROL-3-YL) PHOSPHONYL CHOLINE
    22385 HGQ
    ZINC000005037781    		 4 C5 H4 Br N O InChI=1S/C5H4BrNO/c6-4-1-
    2-7-5(8)3-4/h1-3H,(H,7,8);
    SSLMGOKTIUIZLY-UHFFFAOYSA-N    		 C1=CNC(=O)C=C1Br; BrC1=CC(=O)NC=C1 4-bromanyl-1~{H}-pyridin-2-one
    22386 HGR
    ZINC000263620693    		 0 C23 H29 N O12 InChI=1S/C23H29NO12/c1-8(
    22(32)24-13-14(27)16(29)2
    1-20(15(13)28)33-7-34-21)
    5-10-3-4-12(11(26)6-10)35
    -23-18(31)17(30)19(36-23)
    9(2)25/h4-6,13-21,23,27-3
    1H,3,7H2,1-2H3,(H,24,32)/
    b8-5+/t13-,14+,15-,16-,17
    +,18+,19-,20+,21-,23-/m1/
    s1;
    LDTRVHIISSLXOQ-IIHALWDASA-N    		 CC(=O)[C@H]1O[C@@H](OC2=CCC(=CC2=O)/C=C(
    C)/C(=O)N[C@@H]3[C@H](O)[C@@H](O)[C@H]4O
    CO[C@H]4[C@@H]3O)[C@@H](O)[C@@H]1O; CC(=
    CC1=CC(=O)C(=CC1)OC2C(C(C(O2)C(=O)C)O)O)
    C(=O)NC3C(C(C4C(C3O)OCO4)O)O; C/C(=C\C1=
    CC(=O)C(=CC1)O[C@H]2[C@H]([C@@H]([C@H](O
    2)C(=O)C)O)O)/C(=O)N[C@@H]3[C@@H]([C@H](
    [C@@H]4[C@H]([C@@H]3O)OCO4)O)O; CC(=O)[C
    H]1O[CH](OC2=CCC(=CC2=O)C=C(C)C(=O)N[CH]
    3[CH](O)[CH](O)[CH]4OCO[CH]4[CH]3O)[CH](
    O)[CH]1O; C=1C(=O)C(=CCC=1[C@H]=C(C(NC3C
    (O)C(C2C(OCO2)C3O)O)=O)C)OC4OC(C(O)C4O)C
    (C)=O    		 Hygromycin A
    22387 HGS
    ZINC000006292519    		 4 C11 H19 N3 O6 S InChI=1S/C11H19N3O6S/c12-
    6(11(19)20)1-2-8(15)14-7(
    5-21)10(18)13-4-3-9(16)17
    /h6-7,21H,1-5,12H2,(H,13,
    18)(H,14,15)(H,16,17)(H,1
    9,20)/t6-,7+/m1/s1;
    HKBNQXMLSMKLJV-RQJHMYQMSA-N    		 C(CC(=O)NC(CS)C(=O)NCCC(=O)O)C(C(=O)O)N;
    C(CC(=O)N[C@@H](CS)C(=O)NCCC(=O)O)[C@H]
    (C(=O)O)N; N[CH](CCC(=O)N[CH](CS)C(=O)NC
    CC(O)=O)C(O)=O; N[C@H](CCC(=O)N[C@@H](CS
    )C(=O)NCCC(O)=O)C(O)=O    		 D-gamma-glutamyl-L-cysteinyl-beta-alanine
    22388 HGT
    ZINC000263620733    		 0 C8 H20 N2 O8 Sn InChI=1S/C8H17N2O5.3H2O.S
    n/c9-5-7(14)6(13)4(3-12)1
    5-8(5)10-1-2-11;;;;/h4-8,
    10,12-14H,1-3,9H2;3*1H2;/
    q-1;;;;+4/p-3/t4-,5-,6+,7
    +,8+;;;;/m0..../s1;
    MAPJSMXDKVHPKF-JEQMFHPXSA-K    		 N[C@H]1[C@@H](O)[C@H](O)[C@H](CO)O[C@H]1
    NCCO[Sn](O)(O)O; C(CO[Sn](O)(O)O)NC1C(C(
    C(C(O1)CO)O)O)N; O[Sn](O)(O)OCCNC1OC(C(O
    )C(O)C1N)CO; C(CO[Sn](O)(O)O)N[C@H]1[C@H
    ]([C@H]([C@@H]([C@@H](O1)CO)O)O)N; N[CH]
    1[CH](O)[CH](O)[CH](CO)O[CH]1NCCO[Sn](O)
    (O)O    		 (2-((2R,3S,4R,5S,6S)-3-AMINO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-YLAMINO)ETHOXY)STANNANETRIOL
    22389 HGU
    CHEMBL309499
    DB03770
    ZINC000014880922    		 2 C H5 N3 O InChI=1S/CH5N3O/c2-1(3)4-
    5/h5H,(H4,2,3,4);
    WFBHRSAKANVBKH-UHFFFAOYSA-N    		 NC(=N)NO; C(=N)(N)NO; [N@H]=C(N)NO N-HYDROXYGUANIDINE
    22390 HGV 1 C12 H20 N5 O11 P3 InChI=1S/C12H20N5O11P3/c1
    -6(29(19,20)21)30(22,23)2
    8-31(24,25)26-3-8-7(18)2-
    9(27-8)17-5-16-10-11(13)1
    4-4-15-12(10)17/h4-9,18H,
    2-3H2,1H3,(H,22,23)(H,24,
    25)(H2,13,14,15)(H2,19,20
    ,21)/t6-,7-,8+,9+/m0/s1;
    XGUYUUUETUJOLT-RBXMUDONSA-N    		 C[C@@H]([P](O)(O)=O)[P](O)(=O)O[P](O)(=O
    )OC[C@H]1O[C@H](C[C@@H]1O)n2cnc3c(N)ncnc
    23; C[CH]([P](O)(O)=O)[P](O)(=O)O[P](O)(
    =O)OC[CH]1O[CH](C[CH]1O)n2cnc3c(N)ncnc23
    ; C[C@@H](P(=O)(O)O)P(=O)(O)OP(=O)(O)OC[
    C@@H]1[C@H](C[C@@H](O1)n2cnc3c2ncnc3N)O;
    CC(P(=O)(O)O)P(=O)(O)OP(=O)(O)OCC1C(CC(
    O1)n2cnc3c2ncnc3N)O; P(=O)(O)(OP(O)(C(C)
    P(O)(O)=O)=O)OCC3OC(n1cnc2c1ncnc2N)CC3O    		 2'-deoxy-5'-O-[(R)-hydroxy({(R)-hydroxy[(1S)-1-phosphonoethyl]phosphoryl}oxy)phosphoryl]adenosine
    22391 HGW
    ZINC000000967270    		 1 C4 H3 I N2 InChI=1S/C4H3IN2/c5-4-1-6
    -3-7-2-4/h1-3H;
    DNWRLMRKDSGSPL-UHFFFAOYSA-N    		 Ic1cncnc1; c1c(cncn1)I 5-iodanylpyrimidine
    22392 HGX
    ZINC000058633519    		 0 C38 H77 N O8 P InChI=1S/C38H76NO8P/c1-6-
    8-10-12-14-16-18-19-20-21
    -23-25-27-29-31-38(41)47-
    36(35-46-48(42,43)45-33-3
    2-39(3,4)5)34-44-37(40)30
    -28-26-24-22-17-15-13-11-
    9-7-2/h36H,6-35H2,1-5H3/p
    +1/t36-/m1/s1;
    AZEAMUNCULVBPK-PSXMRANNSA-O    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCC)COP(=O)(O)OCC[N+](C)(C)C; CCCCCCCCCC
    CCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC)CO[
    P](O)(=O)OCC[N+](C)(C)C; CCCCCCCCCCCCCCC
    CC(=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P@@]
    (=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCC
    (=O)O[C@H](COC(=O)CCCCCCCCCCCC)CO[P](O)(
    =O)OCC[N+](C)(C)C; O=C(OCC(OC(=O)CCCCCCC
    CCCCCCCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCC
    CCCCCCC    		 1-HEPTADECANOYL-2-TRIDECANOYL-3-GLYCEROL-PHOSPHONYL CHOLINE
    22393 HGY 4 C2 H5 N O3 InChI=1S/C2H5NO3/c3-1(4)2
    (5)6/h1,4H,3H2,(H,5,6)/t1
    -/m0/s1;
    ZHWLPDIRXJCEJY-SFOWXEAESA-N    		 N[CH](O)C(O)=O; C(C(=O)O)(N)O; [C@H](C(=
    O)O)(N)O; O=C(O)C(O)N; N[C@@H](O)C(O)=O    		 (2S)-amino(hydroxy)ethanoic acid;
    2-hydroxyglycine
    22394 HGZ
    CHEMBL454226
    ZINC000040859937    		 4 C13 H15 N O4 InChI=1S/C13H15NO4/c1-7-5
    -10(15)14-11-8(7)6-9(16-2
    )12(17-3)13(11)18-4/h5-6H
    ,1-4H3,(H,14,15);
    JAKHLWMOJRMVRW-UHFFFAOYSA-N    		 COc1cc2C(=CC(=O)Nc2c(OC)c1OC)C; O=C2C=C(
    c1c(c(OC)c(OC)c(OC)c1)N2)C; CC1=CC(=O)Nc
    2c1cc(c(c2OC)OC)OC    		 6,7,8-trimethoxy-4-methylquinolin-2(1H)-one
    22395 HH0
    ZINC000098208993    		 1 C36 H60 N5 O10 P InChI=1S/C36H60N5O10P/c1-
    20(2)17-28(42)39-30(22(5)
    6)35(46)41-31(23(7)8)34(4
    5)40-29(18-21(3)4)52(48,4
    9)51-27(19-26-15-13-12-14
    -16-26)33(44)37-24(9)32(4
    3)38-25(10)36(47)50-11/h1
    2-16,20-25,27,29-31H,17-1
    9H2,1-11H3,(H,37,44)(H,38
    ,43)(H,39,42)(H,40,45)(H,
    41,46)(H,48,49)/t24-,25-,
    27-,29+,30-,31-/m0/s1;
    CEPZPGMVMASQKU-ORDNGIEBSA-N    		 COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]
    (Cc1ccccc1)O[P](O)(=O)[C@H](CC(C)C)NC(=O
    )[C@@H](NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)
    C(C)C; O=C(OC)C(NC(=O)C(NC(=O)C(OP(=O)(O
    )C(NC(=O)C(NC(=O)C(NC(=O)CC(C)C)C(C)C)C(
    C)C)CC(C)C)Cc1ccccc1)C)C; COC(=O)[CH](C)
    NC(=O)[CH](C)NC(=O)[CH](Cc1ccccc1)O[P](O
    )(=O)[CH](CC(C)C)NC(=O)[CH](NC(=O)[CH](N
    C(=O)CC(C)C)C(C)C)C(C)C; CC(C)CC(NC(=O)C
    (C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)P(=O)(
    O)OC(Cc1ccccc1)C(=O)NC(C)C(=O)NC(C)C(=O)
    OC; C[C@@H](C(=O)N[C@@H](C)C(=O)OC)NC(=O
    )[C@H](Cc1ccccc1)O[P@](=O)([C@H](CC(C)C)
    NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=
    O)CC(C)C)O    		 methyl N-[(2S)-2-({(S)-hydroxy[(1R)-3-methyl-1-{[N-(3-methylbutanoyl)-L-valyl-L-valyl]amino}butyl]phosphoryl}oxy)-3-phenylpropanoyl]-L-alanyl-L-alaninate;
    IVA-VAL-VAL-LEU(P)-(O)PHE-ALA-ALA-OME
    22396 HH1
    DB04708
    ZINC000100376841    		 2 C37 H41 N3 O6 InChI=1S/C37H41N3O6/c38-3
    4(42)19-26-18-30(29-14-8-
    7-13-28(26)29)31-22-39-37
    (35(31)43,20-25-11-5-2-6-
    12-25)21-33(41)32(17-24-9
    -3-1-4-10-24)40-36(44)46-
    27-15-16-45-23-27/h1-14,2
    2,26-27,30,32-33,39,41H,1
    5-21,23H2,(H2,38,42)(H,40
    ,44)/t26-,27+,30-,32+,33+
    ,37+/m1/s1;
    SYNSHNDQFWMLJW-YZGRCXSVSA-N    		 NC(=O)C[CH]1C[CH](C2=CN[C](C[CH](O)[CH](
    Cc3ccccc3)NC(=O)O[CH]4CCOC4)(Cc5ccccc5)C
    2=O)c6ccccc16; c1ccc(cc1)CC(C(CC2(C(=O)C
    (=CN2)C3CC(c4c3cccc4)CC(=O)N)Cc5ccccc5)O
    )NC(=O)OC6CCOC6; O=C(OC1CCOC1)NC(Cc2cccc
    c2)C(O)CC3(C(=O)C(=CN3)C5c4ccccc4C(CC(=O
    )N)C5)Cc6ccccc6; NC(=O)C[C@H]1C[C@@H](C2
    =CN[C@](C[C@H](O)[C@H](Cc3ccccc3)NC(=O)O
    [C@H]4CCOC4)(Cc5ccccc5)C2=O)c6ccccc16; c
    1ccc(cc1)C[C@@H]([C@H](C[C@]2(C(=O)C(=CN
    2)[C@@H]3C[C@@H](c4c3cccc4)CC(=O)N)Cc5cc
    ccc5)O)NC(=O)O[C@H]6CCOC6    		 (3S)-TETRAHYDROFURAN-3-YL (1R)-3-{(2R)-4-[(1S,3S)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL]-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL}-1-BENZYL-2-HYDROXYPROPYLCARBAMATE;
    (S)-TETRAHYDROFURAN-3-YL (2S,3S)-4-((S)-4-((1R,3R)-3-(2-AMINO-2-OXOETHYL)-2,3-DIHYDRO-1H-INDEN-1-YL)-2-BENZYL-3-OXO-2,3-DIHYDRO-1H-PYRROL-2-YL)-3-HYDROXY-1-PHENYLBUTAN-2-YLCARBAMATE
    22397 HH2
    DB04047
    ZINC000012504112    		 17 C7 H9 N5 O8 P2 InChI=1S/C7H9N5O8P2/c8-7-
    11-5-4(6(13)12-7)10-3(1-9
    -5)2-19-22(17,18)20-21(14
    ,15)16/h1H,2H2,(H,17,18)(
    H2,14,15,16)(H3,8,9,11,12
    ,13);
    AMDUVUKDRBIVAH-UHFFFAOYSA-N    		 O=P(O)(O)OP(=O)(O)OCc1nc2C(=O)NC(=Nc2nc1
    )N; NC1=Nc2ncc(CO[P](O)(=O)O[P](O)(O)=O)
    nc2C(=O)N1; NC1=Nc2ncc(CO[P@@](O)(=O)O[P
    ](O)(O)=O)nc2C(=O)N1; c1c(nc2c(n1)N=C(NC
    2=O)N)COP(=O)(O)OP(=O)(O)O; c1c(nc2c(n1)
    N=C(NC2=O)N)CO[P@](=O)(O)OP(=O)(O)O    		 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE;
    [PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
    22398 HH3
    ZINC000000119975    		 1 C9 H9 N O4 InChI=1S/C9H9NO4/c11-7(10
    -8(12)9(13)14)6-4-2-1-3-5
    -6/h1-5,8,12H,(H,10,11)(H
    ,13,14)/t8-/m0/s1;
    GCWCVCCEIQXUQU-QMMMGPOBSA-N    		 c1ccc(cc1)C(=O)N[C@H](C(=O)O)O; O=C(NC(O
    )C(=O)O)c1ccccc1; c1ccc(cc1)C(=O)NC(C(=O
    )O)O; O[CH](NC(=O)c1ccccc1)C(O)=O; O[C@H
    ](NC(=O)c1ccccc1)C(O)=O    		 (2S)-hydroxy[(phenylcarbonyl)amino]ethanoic acid;
    alpha-hydroxyhippuric acid
    22399 HH4
    CHEMBL4460800
    ZINC000002579954    		 1 C14 H18 O3 InChI=1S/C14H18O3/c1-14(2
    ,3)11-6-4-10(5-7-11)12(15
    )8-9-13(16)17/h4-7H,8-9H2
    ,1-3H3,(H,16,17);
    XJHBTHNAMOUNRQ-UHFFFAOYSA-N    		 c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C; CC(C)
    (C)c1ccc(cc1)C(=O)CCC(=O)O; CC(C)(C)c1cc
    c(cc1)C(=O)CCC(O)=O    		 4-(4-tert-butylphenyl)-4-oxobutanoic acid
    22400 HH5
    CHEMBL4449374
    ZINC000006886310    		 1 C5 H4 I N5 InChI=1S/C5H4IN5/c6-3-2-4
    (9-1-8-2)11-5(7)10-3/h1H,
    (H3,7,8,9,10,11);
    CQYPNVKLVHHOSJ-UHFFFAOYSA-N    		 Nc1nc(I)c2[nH]cnc2n1; c1[nH]c2c(n1)nc(nc
    2I)N    		 6-iodanyl-7~{H}-purin-2-amine
    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).

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