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

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

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

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

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

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

    • << < 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 > >>
    Go to page
    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    33001
    PDE
    DB08411
    ZINC000006486903    		 2 C13 H17 N2 O8 P InChI=1S/C13H17N2O8P/c1-9
    (13(17)18)14-12(16)3-2-8-
    24(21,22)23-11-6-4-10(5-7
    -11)15(19)20/h4-7,9H,2-3,
    8H2,1H3,(H,14,16)(H,17,18
    )(H,21,22)/t9-/m0/s1;
    KBXXIYHMPQZHCH-VIFPVBQESA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    C(C(=O)O)C; C[C@@H](C(=O)O)NC(=O)CCC[P@@
    ](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[CH](N
    C(=O)CCC[P](O)(=O)Oc1ccc(cc1)[N+]([O-])=
    O)C(O)=O; CC(C(=O)O)NC(=O)CCCP(=O)(O)Oc1
    ccc(cc1)[N+](=O)[O-]; C[C@H](NC(=O)CCC[P
    @](O)(=O)Oc1ccc(cc1)[N+]([O-])=O)C(O)=O    		 PARA-NITROPHENYL PHOSPHONOBUTANOYL D-ALANINE
    33002
    PDF
    ZINC000033604896    		 0 C5 H7 F2 N O2 InChI=1S/C5H7F2NO2/c6-5(7
    )1-3(4(9)10)8-2-5/h3,8H,1
    -2H2,(H,9,10)/t3-/m0/s1;
    ZPBIYZHGBPBZCK-VKHMYHEASA-N    		 C1[C@H](NCC1(F)F)C(=O)O; C1C(NCC1(F)F)C(
    =O)O; OC(=O)[C@@H]1CC(F)(F)CN1; OC(=O)[C
    H]1CC(F)(F)CN1; O=C(O)C1NCC(F)(F)C1    		 4,4-difluoro-L-proline
    33003
    PDG
    DB04762
    ZINC000012501129    		 23 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4,10,15,1
    8H,2-3,5-6H2,1H3,(H,16,17
    )(H,19,20)(H2,21,22,23)/t
    10-/m1/s1;
    JMRKOGDJNHPMHS-SNVBAGLBSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(
    =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@H](C
    CC(O)=O)C(O)=O)c1O; Cc1c(c(c(cn1)COP(=O)
    (O)O)CN[C@H](CCC(=O)O)C(=O)O)O; Cc1ncc(C
    O[P](O)(O)=O)c(CN[CH](CCC(O)=O)C(O)=O)c1
    O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C
    CC(=O)O    		 N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-D-GLUTAMIC ACID;
    N-PYRIDOXYL-D-GLUTAMIC ACID-5'-MONOPHOSPHATE
    33004
    PDH
    CHEMBL1235200
    ZINC000006731959    		 0 C9 H13 N O InChI=1S/C9H13NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,9
    ,11H,6-7,10H2/t9-/m1/s1;
    STVVMTBJNDTZBF-SECBINFHSA-N    		 c1ccc(cc1)C[C@H](CO)N; N[C@@H](CO)Cc1ccc
    cc1; N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO
    )N; OCC(N)Cc1ccccc1    		 (2S)-2-AMINO-3-PHENYL-1-PROPANOL;
    D-PHENYLALANINOL
    33005
    PDI
    ZINC000005113578    		 0 C3 H9 O5 P InChI=1S/C3H9O5P/c4-2-1-3
    -8-9(5,6)7/h4H,1-3H2,(H2,
    5,6,7);
    HYCSHFLKPSMPGO-UHFFFAOYSA-N    		 C(CO)COP(=O)(O)O; O=P(O)(O)OCCCO; OCCCO[
    P](O)(O)=O    		 PHOSPHORIC ACID MONO-(3-HYDROXY-PROPYL) ESTER
    33006
    PDJ
    ZINC000058638622    		 1 C38 H75 N O5 S InChI=1S/C38H75NO5S/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-37(41)43-32-36
    (34-45-33-35(39)31-40)44-
    38(42)30-28-26-24-22-20-1
    8-16-14-12-10-8-6-4-2/h35
    -36,40H,3-34,39H2,1-2H3/t
    35-,36-/m1/s1;
    BRVXVNDGAKVNMP-LQFQNGICSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@H](N)C
    O)OC(=O)CCCCCCCCCCCCCCC; O=C(OC(CSCC(N)C
    O)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[C@H](CSC[C@@H](
    CO)N)OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCC
    CCCC(=O)OCC(CSCC(CO)N)OC(=O)CCCCCCCCCCCC
    CCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CSC[CH](
    N)CO)OC(=O)CCCCCCCCCCCCCCC    		 (2R)-3-{[(2R)-2-AMINO-3-HYDROXYPROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE
    33007
    PDK    		 1 C47 H87 N4 O17 P InChI=1S/C47H87N4O17P/c1-
    3-5-7-9-11-13-15-17-19-21
    -23-25-46(61)65-38-40(68-
    47(62)26-24-22-20-18-16-1
    4-12-10-8-6-4-2)39-67-69(
    63,64)66-32-27-48-41(52)3
    3-50(35-43(55)56)30-28-49
    (34-42(53)54)29-31-51(36-
    44(57)58)37-45(59)60/h40H
    ,3-39H2,1-2H3,(H,48,52)(H
    ,53,54)(H,55,56)(H,57,58)
    (H,59,60)(H,63,64)/t40-/m
    1/s1;
    DAAFWSGIXJNAQE-RRHRGVEJSA-N    		 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC(=O
    )CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=
    O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OC[C@H](CO[P@@](=O)(O)OCCNC(=O)C[N@](
    CC[N@@](CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=
    O)O)OC(=O)CCCCCCCCCCCCC; CCCCCCCCCCCCCC(
    =O)OC[CH](CO[P](O)(=O)OCCNC(=O)CN(CCN(CC
    N(CC(O)=O)CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)
    CCCCCCCCCCCCC; CCCCCCCCCCCCCC(=O)OC[C@H]
    (CO[P](O)(=O)OCCNC(=O)CN(CCN(CCN(CC(O)=O
    )CC(O)=O)CC(O)=O)CC(O)=O)OC(=O)CCCCCCCCC
    CCCC; O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCC
    CCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CC
    N(CC(=O)O)CCN(CC(=O)O)CC(=O)O    		 (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide;
    PE-DTPA
    33008
    PDL    		 0 C11 H17 N2 O7 P InChI=1/C11H17N2O7P/c1-6-
    10(14)9(4-13-7(2)11(15)16
    )8(3-12-6)5-20-21(17,18)1
    9/h3,7,13-14H,4-5H2,1-2H3
    ,(H,15,16)(H2,17,18,19)/t
    7-/m0/s1/f/h15,17-18H;
    WACJCHFWJNNBPR-QVTHEYPJDI    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](C)C(=O
    )O)O; C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=
    O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O
    )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    C(=O)O)O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O
    )(O)=O)C(O)=O    		 N-(5'-PHOSPHOPYRIDOXYL)-L-ALANINE
    33009
    PDM
    DB08378
    ZINC000033396944    		 2 C14 H16 N2 O5 InChI=1S/C14H16N2O5/c17-1
    1(5-8-14(20)21)15-9-1-3-1
    0(4-2-9)16-12(18)6-7-13(1
    6)19/h1-4,11,15,17H,5-8H2
    ,(H,20,21)/t11-/m0/s1;
    SUETUOGYOWOLNJ-NSHDSACASA-N    		 O[CH](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O;
    c1cc(ccc1NC(CCC(=O)O)O)N2C(=O)CCC2=O; O
    [C@@H](CCC(O)=O)Nc1ccc(cc1)N2C(=O)CCC2=O
    ; O=C(O)CCC(O)Nc1ccc(cc1)N2C(=O)CCC2=O    		 4-[4-(2,5-DIOXO-PYRROLIDIN-1-YL)-PHENYLAMINO]-4-HYDROXY-BUTYRIC ACID;
    PARA-PHENYL DIMALEMIDE
    33010
    PDN
    ZINC000118913122    		 12 C21 H26 O5 InChI=1S/C21H26O5/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/
    h5,7,9,11,14-15,18,22,25-
    26H,3-4,6,8,10H2,1-2H3/b1
    7-11-/t14-,15-,18+,19-,20
    -,21-/m0/s1;
    WZTZVUUYKIOIRV-LMZHSBCYSA-N    		 CC12CC(=O)C3C(C1CCC2(C(=CO)O)O)CCC4=CC(=
    O)C=CC34C; C[C@]12CC(=O)[C@H]3[C@@H](CCC
    4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)\C(O
    )=C\O; C[C@]12CC(=O)[C@H]3[C@H]([C@@H]1C
    C[C@@]2(C(=CO)O)O)CCC4=CC(=O)C=C[C@]34C;
    O=C2CC4(C(C3CCC1=CC(=O)C=CC1(C)C23)CCC4
    (O)C(\O)=C\O)C; C[C]12CC(=O)[CH]3[CH](CC
    C4=CC(=O)C=C[C]34C)[CH]1CC[C]2(O)C(O)=CO    		 17,21-DIHYDROXYPREGNA-1,4-DIENE-3,11,20-TRIONE;
    PREDNISONE;
    1,4 PREGNADIENE-17ALPHA,21-DIOL-3,11,20-TRIONE;
    1-CORTISONE;
    DEHYDROCORTISONE
    33011
    PDO
    CHEMBL379652
    DB02774
    ZINC000001529437    		 166 C3 H8 O2 InChI=1S/C3H8O2/c4-2-1-3-
    5/h4-5H,1-3H2;
    YPFDHNVEDLHUCE-UHFFFAOYSA-N    		 C(CO)CO; OCCCO 1,3-PROPANDIOL
    33012
    PDP    		 8 C8 H11 N O9 P2 InChI=1S/C8H11NO9P2/c1-5-
    8(11)7(3-10)6(2-9-5)4-17-
    20(15,16)18-19(12,13)14/h
    2-3,11H,4H2,1H3,(H,15,16)
    (H2,12,13,14);
    BLPOUZDLIYAHLN-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)OP(=O)(O)O)C=O)O;
    O=P(O)(O)OP(=O)(O)OCc1cnc(c(O)c1C=O)C;
    Cc1ncc(CO[P](O)(=O)O[P](O)(O)=O)c(C=O)c1
    O; Cc1ncc(CO[P@@](O)(=O)O[P](O)(O)=O)c(C
    =O)c1O; Cc1c(c(c(cn1)CO[P@](=O)(O)OP(=O)
    (O)O)C=O)O    		 PYRIDOXAL-5'-DIPHOSPHATE
    33013
    PDQ
    CHEMBL383917    		 6 C18 H24 F N5 O2 InChI=1S/C18H24FN5O2/c1-9
    -15-13(17(25)24(21)18(26)
    23(15)12-3-4-12)7-14(19)1
    6(9)22-6-5-11(8-22)10(2)2
    0/h7,10-12H,3-6,8,20-21H2
    ,1-2H3/t10-,11+/m0/s1;
    SMONLCFJGCJROJ-WDEREUQCSA-N    		 Cc1c2c(cc(c1N3CC[C@H](C3)[C@H](C)N)F)C(=
    O)N(C(=O)N2C4CC4)N; O=C2c1cc(F)c(c(c1N(C
    (=O)N2N)C3CC3)C)N4CCC(C(N)C)C4; C[CH](N)
    [CH]1CCN(C1)c2c(C)c3N(C4CC4)C(=O)N(N)C(=
    O)c3cc2F; C[C@H](N)[C@@H]1CCN(C1)c2c(C)c
    3N(C4CC4)C(=O)N(N)C(=O)c3cc2F; Cc1c2c(cc
    (c1N3CCC(C3)C(C)N)F)C(=O)N(C(=O)N2C4CC4)
    N    		 3-amino-7-{(3R)-3-[(1S)-1-aminoethyl]pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-8-methylquinazoline-2,4(1H,3H)-dione
    33014
    PDR
    ZINC000035979149    		 4 C17 H15 Cl N4 O2 InChI=1S/C17H15ClN4O2/c1-
    22-8-10(12-6-9-11(18)4-5-
    19-16(9)20-12)15-13(22)7-
    14(23-2)17(21-15)24-3/h4-
    8H,1-3H3,(H,19,20);
    ISLVGFDZMORPFI-UHFFFAOYSA-N    		 COc1cc2n(C)cc(c3[nH]c4nccc(Cl)c4c3)c2nc1
    OC; Clc3c4cc(c2c1nc(OC)c(OC)cc1n(c2)C)nc
    4ncc3; Cn1cc(c2c1cc(c(n2)OC)OC)c3cc4c(cc
    nc4[nH]3)Cl    		 3-(4-chloro-1H-pyrrolo[2,3-b]pyridin-2-yl)-5,6-dimethoxy-1-methyl-1H-pyrrolo[3,2-b]pyridine
    33015
    PDS
    ZINC000016052741    		 2 C27 H28 N4 O2 InChI=1S/C27H28N4O2/c1-16
    -22(18-10-5-7-12-20(18)28
    -16)24-25(27(33)29-26(24)
    32)23-17(2)31(15-9-14-30(
    3)4)21-13-8-6-11-19(21)23
    /h5-8,10-13,28H,9,14-15H2
    ,1-4H3,(H,29,32,33);
    OHIVGFJSFMOMNC-UHFFFAOYSA-N    		 Cc1c(c2ccccc2[nH]1)C3=C(C(=O)NC3=O)c4c(n
    (c5c4cccc5)CCCN(C)C)C; O=C5C(c2c1ccccc1n
    c2C)=C(c4c3ccccc3n(c4C)CCCN(C)C)C(=O)N5;
    CN(C)CCCn1c(C)c(c2ccccc12)C3=C(C(=O)NC3
    =O)c4c(C)[nH]c5ccccc45    		 3-{1-[3-(DIMETHYLAMINO)PROPYL]-2-METHYL-1H-INDOL-3-YL}-4-(2-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE
    33016
    PDT
    ZINC000003860693    		 4 C3 H8 S2 InChI=1S/C3H8S2/c4-2-1-3-
    5/h4-5H,1-3H2;
    ZJLMKPKYJBQJNH-UHFFFAOYSA-N    		 C(CS)CS; SCCCS 1,3-PROPANEDITHIOL
    33017
    PDU
    CHEMBL3142713
    ZINC000013604356    		 0 C12 H15 N2 O8 P InChI=1S/C12H15N2O8P/c1-2
    -3-7-5-14(12(17)13-11(7)1
    6)10-4-8(15)9(22-10)6-21-
    23(18,19)20/h5,8-10,15H,4
    ,6H2,1H3,(H,13,16,17)(H2,
    18,19,20)/t8-,9+,10+/m0/s
    1;
    NUOBVCABUBRVOG-IVZWLZJFSA-N    		 CC#CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H]
    (O2)COP(=O)(O)O)O; CC#CC1=CN(C(=O)NC1=O)
    C2CC(C(O2)COP(=O)(O)O)O; CC#CC1=CN([C@H]
    2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O)N
    C1=O; CC#CC1=CN([CH]2C[CH](O)[CH](CO[P](
    O)(O)=O)O2)C(=O)NC1=O    		 5(1-PROPYNYL)-2'-DEOXYURIDINE-5-MONOPHOSPHATE
    33018
    PDV    		 1 H O7 V2 InChI=1S/H2O.6O.2V/h1H2;;
    ;;;;;;/q;;;4*-1;;+1/p-1;
    YWFXIPDXSJHXJM-UHFFFAOYSA-M    		 O[V]1([O-])([O-])O[V]([O-])([O-])O1; O[V
    ]1(O[V](O1)([O-])[O-])([O-])[O-]    		 Divanadate ion
    33019
    PDW
    ZINC000053151193    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-9-6(
    8)5-3-2-4-7-5/h5,7H,2-4H2
    ,1H3/t5-/m1/s1;
    BLWYXBNNBYXPPL-RXMQYKEDSA-N    		 COC(=O)[C@H]1CCCN1; COC(=O)[CH]1CCCN1; C
    OC(=O)C1CCCN1; O=C(OC)C1NCCC1    		 methyl D-prolinate
    33020
    PDX
    DB02879
    ZINC000031976877    		 11 C6 H12 O12 S2 InChI=1S/C6H12O12S2/c7-1-
    2-3(8)4(17-19(10,11)12)5(
    6(9)16-2)18-20(13,14)15/h
    2-9H,1H2,(H,10,11,12)(H,1
    3,14,15)/t2-,3-,4+,5-,6+/
    m1/s1;
    ORUZACWROKWTRH-DVKNGEFBSA-N    		 OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](O
    [S](O)(=O)=O)[CH]1O; OC[C@H]1O[C@H](O)[C
    @H](O[S](O)(=O)=O)[C@@H](O[S](O)(=O)=O)[
    C@@H]1O; C(C1C(C(C(C(O1)O)OS(=O)(=O)O)OS
    (=O)(=O)O)O)O; C([C@@H]1[C@H]([C@@H]([C@
    H]([C@H](O1)O)OS(=O)(=O)O)OS(=O)(=O)O)O)
    O; O=S(=O)(O)OC1C(O)C(OC(O)C1OS(=O)(=O)O
    )CO    		 2,3-di-O-sulfo-alpha-D-glucopyranose;
    2,3-di-O-sulfo-alpha-D-glucose;
    2,3-di-O-sulfo-D-glucose;
    2,3-di-O-sulfo-glucose
    33021
    PDY
    CHEMBL1235213
    ZINC000058633578    		 25 C20 H26 N6 O InChI=1S/C20H26N6O/c1-3-2
    7-17-8-6-15(7-9-17)24-20-
    14(2)19(23-16-5-4-11-21-1
    3-16)25-18-10-12-22-26(18
    )20/h6-10,12,16,21,24H,3-
    5,11,13H2,1-2H3,(H,23,25)
    /t16-/m0/s1;
    WJOUGMPFYANZMI-INIZCTEOSA-N    		 CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)N[C@H]4CCC
    NC4)C; CCOc1ccc(cc1)Nc2c(c(nc3n2ncc3)NC4
    CCCNC4)C; CCOc1ccc(Nc2n3nccc3nc(N[C@H]4C
    CCNC4)c2C)cc1; n3c(NC1CCCNC1)c(c(Nc2ccc(
    OCC)cc2)n4nccc34)C; CCOc1ccc(Nc2n3nccc3n
    c(N[CH]4CCCNC4)c2C)cc1    		 N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine;
    {5-[((3S)(3-piperidyl))amino]-6-methyl(pyrazolo[1,5-a]pyrimidin-7-yl)}(4-ethoxyphenyl)amine
    33022
    PDZ
    CHEMBL479032
    DB08379
    ZINC000040404526    		 1 C17 H12 Cl F N2 O2 InChI=1S/C17H12ClFN2O2/c1
    8-14-8-6-11(10-12-7-9-15(
    22)21-20-12)16(19)17(14)2
    3-13-4-2-1-3-5-13/h1-9H,1
    0H2,(H,21,22);
    NOVPOXGMADEKPP-UHFFFAOYSA-N    		 O=C1C=CC(=NN1)Cc3ccc(Cl)c(Oc2ccccc2)c3F;
    Fc1c(CC2=NNC(=O)C=C2)ccc(Cl)c1Oc3ccccc3
    ; c1ccc(cc1)Oc2c(ccc(c2F)CC3=NNC(=O)C=C3
    )Cl    		 6-(4-chloro-2-fluoro-3-phenoxybenzyl)pyridazin-3(2H)-one
    33023
    PE0
    CHEMBL278009
    ZINC000017819771    		 22 C6 H5 N5 O InChI=1S/C6H5N5O/c7-6-10-
    4-3(5(12)11-6)8-1-2-9-4/h
    1-2H,(H3,7,9,10,11,12);
    HNXQXTQTPAJEJL-UHFFFAOYSA-N    		 c1cnc2c(n1)C(=O)NC(=N2)N; NC1=Nc2nccnc2C
    (=O)N1; O=C1c2nccnc2N=C(N1)N    		 PTERINE
    33024
    PE1
    ZINC000013527831    		 8 C14 H24 N3 O7 P InChI=1S/C14H24N3O7P/c1-9
    -13(18)11(10(6-16-9)8-24-
    25(21,22)23)7-17-12(14(19
    )20)4-2-3-5-15/h6,12,17-1
    8H,2-5,7-8,15H2,1H3,(H,19
    ,20)(H2,21,22,23)/t12-/m0
    /s1;
    GQMAOPRRHWJXFB-LBPRGKRZSA-N    		 O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CCCC
    N; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CCC
    CN)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[C
    @@H](CCCCN)C(O)=O)c1O; Cc1c(c(c(cn1)COP(
    =O)(O)O)CNC(CCCCN)C(=O)O)O; Cc1ncc(CO[P]
    (O)(O)=O)c(CN[CH](CCCCN)C(O)=O)c1O    		 N~2~-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-L-LYSINE;
    PYRIDOXYL-GLUTAMIC ACID-5'-MONOPHOSPHATE
    33025
    PE2
    CHEMBL1540
    DB00299
    ZINC000000001899    		 2 C10 H15 N5 O3 InChI=1S/C10H15N5O3/c11-1
    0-13-8-7(9(18)14-10)12-5-
    15(8)2-1-6(3-16)4-17/h5-6
    ,16-17H,1-4H2,(H3,11,13,1
    4,18);
    JNTOCHDNEULJHD-UHFFFAOYSA-N    		 O=C1c2ncn(c2N=C(N1)N)CCC(CO)CO; c1nc2c(n
    1CCC(CO)CO)N=C(NC2=O)N; NC1=Nc2n(CCC(CO)
    CO)cnc2C(=O)N1    		 9-(4-HYDROXY-3-(HYDROXYMETHYL)BUT-1-YL)GUANINE
    33026
    PE3
    ZINC000058633580    		 4 C28 H58 O15 InChI=1S/C28H58O15/c29-1-
    3-31-5-7-33-9-11-35-13-15
    -37-17-19-39-21-23-41-25-
    27-43-28-26-42-24-22-40-2
    0-18-38-16-14-36-12-10-34
    -8-6-32-4-2-30/h29-30H,1-
    28H2;
    ILLKMACMBHTSHP-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCO; C(COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCOCCO)O; O(CCOCCOCCOCCOCCOCCOCCO)CCOC
    COCCOCCOCCOCCOCCO    		 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL;
    POLYETHYLENE GLYCOL
    33027
    PE4    		 0 C16 H34 O8 InChI=1S/C16H34O8/c1-2-18
    -5-6-20-9-10-22-13-14-24-
    16-15-23-12-11-21-8-7-19-
    4-3-17/h17H,2-16H2,1H3;
    PJWQOENWHPEPKI-UHFFFAOYSA-N    		 O(CCOCCO)CCOCCOCCOCCOCCOCC; CCOCCOCCOCCO
    CCOCCOCCOCCO    		 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL;
    POLYETHYLENE GLYCOL PEG4000
    33028
    PE5
    DB03556
    ZINC000012503749    		 0 C18 H38 O9 InChI=1S/C18H38O9/c1-2-20
    -5-6-22-9-10-24-13-14-26-
    17-18-27-16-15-25-12-11-2
    3-8-7-21-4-3-19/h19H,2-18
    H2,1H3;
    CUDPPTPIUWYGFI-UHFFFAOYSA-N    		 O(CCOCCOCC)CCOCCOCCOCCOCCOCCO; CCOCCOCCO
    CCOCCOCCOCCOCCOCCO    		 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL;
    2-(2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL;
    POLYETHYLENE GLYCOL PEG400
    33029
    PE6
    ZINC000005828801    		 1 C12 H27 O10 P InChI=1S/C12H27O10P/c13-1
    -2-17-3-4-18-5-6-19-7-8-2
    0-9-10-21-11-12-22-23(14,
    15)16/h13H,1-12H2,(H2,14,
    15,16);
    PTMCGHPIYOSATH-UHFFFAOYSA-N    		 OCCOCCOCCOCCOCCOCCO[P](O)(O)=O; O=P(O)(O
    )OCCOCCOCCOCCOCCOCCO; C(COCCOCCOCCOCCOCC
    OP(=O)(O)O)O    		 PHOSPHORYL-HEXAETHYLENE GLYCOL
    33030
    PE7
    DB02404
    ZINC000005828797    		 8 C14 H30 O7 S InChI=1S/C14H30O7S/c15-1-
    2-16-3-4-17-5-6-18-7-8-19
    -9-10-20-11-12-21-13-14-2
    2/h15,22H,1-14H2;
    ACMBXVJDKVNCGH-UHFFFAOYSA-N    		 O(CCOCCOCCOCCOCCO)CCOCCS; C(COCCOCCOCCOC
    COCCOCCS)O; OCCOCCOCCOCCOCCOCCOCCS    		 1-DEOXY-1-THIO-HEPTAETHYLENE GLYCOL
    33031
    PE8
    ZINC000005178830    		 0 C16 H34 O9 InChI=1S/C16H34O9/c17-1-3
    -19-5-7-21-9-11-23-13-15-
    25-16-14-24-12-10-22-8-6-
    20-4-2-18/h17-18H,1-16H2;
    GLZWNFNQMJAZGY-UHFFFAOYSA-N    		 O(CCOCCO)CCOCCOCCOCCOCCOCCO; OCCOCCOCCOC
    COCCOCCOCCOCCO; C(COCCOCCOCCOCCOCCOCCOCC
    O)O    		 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL
    33032
    PE9
    CHEMBL14568
    ZINC000001687154    		 2 C5 H12 O InChI=1S/C5H12O/c1-2-3-4-
    5-6/h6H,2-5H2,1H3;
    AMQJEAYHLZJPGS-UHFFFAOYSA-N    		 OCCCCC; CCCCCO PENTAN-1-OL
    33033
    PEA    		 16 C8 H12 N InChI=1S/C8H11N/c9-7-6-8-
    4-2-1-3-5-8/h1-5H,6-7,9H2
    /p+1;
    BHHGXPLMPWCGHP-UHFFFAOYSA-O    		 [NH3+]CCc1ccccc1; c1ccccc1CC[NH3+]; c1cc
    c(cc1)CC[NH3+]    		 2-PHENYLETHYLAMINE
    33034
    PEB
    ZINC000058633585    		 16739 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8,14-15,19-20,26,34H,
    2,7,9-13H2,1,3-6H3,(H,36,
    43)(H,37,42)(H,38,39)(H,4
    0,41)/b27-14-,29-15-/t19-
    ,20-,26-/m1/s1;
    NKCBCVIFPXGHAV-WAVSMFBNSA-N    		 CCC1C(C(=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC
    4C(=C(C(=O)N4)C=C)C)C)CCC(=O)O)C(=C2C)CC
    C(=O)O)C; CC[C@@H]\1[C@H](C(=O)N/C1=C\C2
    =N/C(=C\c3c(c(c([nH]3)C[C@@H]4C(=C(C(=O)
    N4)C=C)C)C)CCC(=O)O)/C(=C2C)CCC(=O)O)C;
    CC[C@@H]1[C@@H](C)C(=O)N\C1=C/C2=N\C(=C/
    c3[nH]c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3CC
    C(O)=O)C(=C2C)CCC(O)=O; CC[CH]1[CH](C)C(
    =O)NC1=CC2=NC(=Cc3[nH]c(C[CH]4NC(=O)C(=C
    4C)C=C)c(C)c3CCC(O)=O)C(=C2C)CCC(O)=O    		 PHYCOERYTHROBILIN
    33035
    PEC
    ZINC000006592190    		 0 C8 H17 N O2 S2 InChI=1S/C8H17NO2S2/c1-2-
    3-4-5-12-13-6-7(9)8(10)11
    /h7H,2-6,9H2,1H3,(H,10,11
    )/t7-/m0/s1;
    QFYJSCJLKKAFDH-ZETCQYMHSA-N    		 CCCCCSSC[C@@H](C(=O)O)N; CCCCCSSC[CH](N)
    C(O)=O; CCCCCSSCC(C(=O)O)N; O=C(O)C(N)CS
    SCCCCC; CCCCCSSC[C@H](N)C(O)=O    		 S,S-PENTYLTHIOCYSTEINE
    33036
    PED
    ZINC000015614168    		 2 C5 H13 O6 P InChI=1S/C5H13O6P/c1-2-4(
    6)5(7)3-11-12(8,9)10/h4-7
    H,2-3H2,1H3,(H2,8,9,10)/t
    4-,5+/m0/s1;
    FQKLTSRHTQGSQZ-CRCLSJGQSA-N    		 CC[C@H](O)[C@H](O)CO[P](O)(O)=O; CCC(C(C
    OP(=O)(O)O)O)O; O=P(O)(O)OCC(O)C(O)CC; C
    C[C@@H]([C@@H](COP(=O)(O)O)O)O; CC[CH](O
    )[CH](O)CO[P](O)(O)=O    		 PENTANE-3,4-DIOL-5-PHOSPHATE;
    OPEN FORM OF 1'-2'-DIDEOXYRIBOFURANOSE-5'-PHOSPHATE
    33037
    PEE
    ZINC000085581568    		 0 C41 H78 N O8 P InChI=1S/C41H78NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-40(43)47
    -37-39(38-49-51(45,46)48-
    36-35-42)50-41(44)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2/h17-20,39H
    ,3-16,21-38,42H2,1-2H3,(H
    ,45,46)/b19-17-,20-18-/t3
    9-/m1/s1;
    MWRBNPKJOOWZPW-NYVOMTAGSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    N)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCC=CC
    CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O
    )CCCCCCCC=CCCCCCCCC; CCCCCCCC/C=C\CCCCCC
    CC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCC
    CC/C=C\CCCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=
    O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
    \C=C/CCCCCCCC; NCCOP(O)(=O)OCC(COC(=O)CC
    CCCCC/C=C\CCCCCCCC)OC(=O)CCCCCCC/C=C\CCC
    CCCCC    		 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine;
    DOPE
    33038
    PEF
    DB01728
    ZINC000032793824    		 0 C37 H74 N O8 P InChI=1S/C37H74NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-36(39)43-33-35
    (34-45-47(41,42)44-32-31-
    38)46-37(40)30-28-26-24-2
    2-20-18-16-14-12-10-8-6-4
    -2/h35H,3-34,38H2,1-2H3,(
    H,41,42)/t35-/m1/s1;
    SLKDGVPOSSLUAI-PGUFJCEWSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[C@H](CO[P@](O)(=O)OCCN)OC(=O)CCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@H](C
    O[P@@](=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC;
    O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O
    CCN)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC
    CCCCCCCC    		 DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE;
    3-[AMINOETHYLPHOSPHORYL]-[1,2-DI-PALMITOYL]-SN-GLYCEROL
    33039
    PEG
    CHEMBL1235226
    ZINC000001668756    		 0 C4 H10 O3 InChI=1S/C4H10O3/c5-1-3-7
    -4-2-6/h5-6H,1-4H2;
    MTHSVFCYNBDYFN-UHFFFAOYSA-N    		 C(COCCO)O; OCCOCCO DI(HYDROXYETHYL)ETHER
    33040
    PEH    		 0 C41 H82 N O8 P InChI=1S/C41H82NO8P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-33-40(43)47
    -37-39(38-49-51(45,46)48-
    36-35-42)50-41(44)34-32-3
    0-28-26-24-22-20-18-16-14
    -12-10-8-6-4-2/h39H,3-38,
    42H2,1-2H3,(H,45,46)/t39-
    /m1/s1;
    LVNGJLRDBYCPGB-LDLOPFEMSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCCCC
    CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCCN)
    OC(=O)CCCCCCCCCCCCCCCCC; O=C(OCC(OC(=O)C
    CCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCC
    CCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(COP
    (=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)
    OCCN)OC(=O)CCCCCCCCCCCCCCCCC    		 DI-STEAROYL-3-SN-PHOSPHATIDYLETHANOLAMINE
    33041
    PEI    		 0 C5 H10 O2 InChI=1/C5H10O2/c1-2-3-4-
    5(6)7/h2-4H2,1H3,(H,6,7)/
    f/h6H;
    NQPDZGIKBAWPEJ-BRMMOCHJCG    		 O=C(O)CCCC; CCCCC(=O)O; CCCCC(O)=O PENTANOIC ACID;
    N-VALERIC ACID
    33042
    PEJ    		 1 I O4 InChI=1S/HIO4/c2-1(3,4)5/
    h(H,2,3,4,5)/p-1;
    KHIWWQKSHDUIBK-UHFFFAOYSA-M    		 [O-]I(=O)(=O)=O; [O-][I](=O)(=O)=O PERIODATE
    33043
    PEK
    ZINC000085581337    		 25 C43 H78 N O8 P InChI=1S/C43H78NO8P/c1-3-
    5-7-9-11-13-15-17-19-20-2
    2-24-26-28-30-32-34-36-43
    (46)52-41(40-51-53(47,48)
    50-38-37-44)39-49-42(45)3
    5-33-31-29-27-25-23-21-18
    -16-14-12-10-8-6-4-2/h11,
    13,17,19,22,24,28,30,41H,
    3-10,12,14-16,18,20-21,23
    ,25-27,29,31-40,44H2,1-2H
    3,(H,47,48)/b13-11-,19-17
    -,24-22-,30-28-/t41-/m1/s
    1;
    ANRKEHNWXKCXDB-BHFWLYLHSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)
    (O)OCCN)OC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/
    CCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P
    ](O)(=O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC
    CC; O=C(OCC(OC(=O)CCC\C=C/C\C=C/C\C=C/C\
    C=C/CCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@
    ](O)(=O)OCCN)OC(=O)CCC\C=C/C/C=C\C\C=C/C
    /C=C\CCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC(CO
    P(=O)(O)OCCN)OC(=O)CCCC=CCC=CCC=CCC=CCCC
    CC    		 (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(STEAROYLOXY)METHYL]ETHYL (5E,8E,11E,14E)-ICOSA-5,8,11,14-TETRAENOATE;
    PHOSPHATIDYLETHANOLAMINE;
    2-ARACHIDONOYL-1-STEAROYL-SN-GLYCEROL-3-PHOSPHOETHANOLAMINE
    33044
    PEL
    CHEMBL448500
    DB02192
    ZINC000000895934    		 15 C8 H10 O InChI=1S/C8H10O/c9-7-6-8-
    4-2-1-3-5-8/h1-5,9H,6-7H2;
    WRMNZCZEMHIOCP-UHFFFAOYSA-N    		 c1ccc(cc1)CCO; OCCc1ccccc1 2-PHENYL-ETHANOL
    33045
    PEM
    CHEMBL264374
    DB01393
    ZINC000003956919    		 6 C19 H20 Cl N O4 InChI=1S/C19H20ClNO4/c1-1
    9(2,18(23)24)25-16-9-3-13
    (4-10-16)11-12-21-17(22)1
    4-5-7-15(20)8-6-14/h3-10H
    ,11-12H2,1-2H3,(H,21,22)(
    H,23,24);
    IIBYAHWJQTYFKB-UHFFFAOYSA-N    		 CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(
    O)=O; CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2
    ccc(cc2)Cl; O=C(c1ccc(Cl)cc1)NCCc2ccc(OC
    (C(=O)O)(C)C)cc2    		 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID
    33046
    PEO
    CHEMBL71595
    DB11091    		 57 H2 O2 InChI=1S/H2O2/c1-2/h1-2H;
    MHAJPDPJQMAIIY-UHFFFAOYSA-N    		 OO HYDROGEN PEROXIDE
    33047
    PEP
    CHEMBL1235228
    DB01819
    ZINC000003870145    		 305 C3 H5 O6 P InChI=1S/C3H5O6P/c1-2(3(4
    )5)9-10(6,7)8/h1H2,(H,4,5
    )(H2,6,7,8);
    DTBNBXWJWCWCIK-UHFFFAOYSA-N    		 C=C(C(=O)O)OP(=O)(O)O; OC(=O)C(=C)O[P](O
    )(O)=O; O=C(O)C(\OP(=O)(O)O)=C    		 PHOSPHOENOLPYRUVATE
    33048
    PEQ
    CHEMBL1235229
    ZINC000006486927    		 14 C3 H7 O6 P InChI=1S/C3H7O6P/c1-2(3(4
    )5)9-10(6,7)8/h2H,1H3,(H,
    4,5)(H2,6,7,8)/t2-/m0/s1;
    CSZRNWHGZPKNKY-REOHCLBHSA-N    		 C[C@H](O[P](O)(O)=O)C(O)=O; C[CH](O[P](O
    )(O)=O)C(O)=O; O=C(O)C(OP(=O)(O)O)C; CC(
    C(=O)O)OP(=O)(O)O; C[C@@H](C(=O)O)OP(=O)
    (O)O    		 L-PHOSPHOLACTATE
    33049
    PER    		 33 O2 InChI=1S/O2/c1-2/q-2;
    ANAIPYUSIMHBEL-UHFFFAOYSA-N    		 [O-][O-] PEROXIDE ION
    33050
    PET
    CHEMBL1088659
    ZINC000003606350    		 0 C18 H22 N4 O3 InChI=1S/C18H22N4O3/c19-1
    7(20)13-1-5-15(6-2-13)24-
    11-9-23-10-12-25-16-7-3-1
    4(4-8-16)18(21)22/h1-8H,9
    -12H2,(H3,19,20)(H3,21,22
    );
    RUGJWTYDBUIXNX-UHFFFAOYSA-N    		 O(c1ccc(cc1)C(=[N@H])N)CCOCCOc2ccc(C(=[N
    @H])N)cc2; NC(=N)c1ccc(OCCOCCOc2ccc(cc2)
    C(N)=N)cc1; [H]N=C(c1ccc(cc1)OCCOCCOc2cc
    c(cc2)C(=N)N)N; [H]/N=C(\c1ccc(cc1)OCCOC
    COc2ccc(cc2)C(=N)N)/N    		 1,5-DI(4-AMIDINOPHENOXY)-3-OXA-PENTANE
    33051
    PEU    		 0 C55 H112 O28 InChI=1S/C55H112O28/c1-57
    -4-5-59-8-9-61-12-13-63-1
    6-17-65-20-21-67-24-25-69
    -28-29-71-32-33-73-36-37-
    75-40-41-77-44-45-79-48-4
    9-81-52-53-83-55-54-82-51
    -50-80-47-46-78-43-42-76-
    39-38-74-35-34-72-31-30-7
    0-27-26-68-23-22-66-19-18
    -64-15-14-62-11-10-60-7-6
    -58-3-2-56/h56H,2-55H2,1H
    3;
    ISGUIIHZEJGUGQ-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
    CCO; OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC
    COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCC
    OCCOCCOC    		 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL;
    PEG 8000
    33052
    PEV    		 2 C39 H78 N O8 P InChI=1S/C39H78NO8P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-39(42)48
    -37(36-47-49(43,44)46-34-
    33-40)35-45-38(41)31-29-2
    7-25-23-21-19-16-14-12-10
    -8-6-4-2/h37H,3-36,40H2,1
    -2H3,(H,43,44)/t37-/m0/s1;
    RPJZYOHZALDGKI-QNGWXLTQSA-N    		 CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC
    CCCCCCCCCCCC)CO[P@@](=O)(O)OCCN; CCCCCCC
    CCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCC
    CCC)CO[P](O)(=O)OCCN; O=C(OCC(OC(=O)CCCC
    CCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CC
    CCCCCCCCCCCCC)COP(=O)(O)OCCN; CCCCCCCCCC
    CCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCC
    CC)CO[P@](O)(=O)OCCN    		 (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
    PHOSPHATIDYLETHANOLAMINE;
    1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    33053
    PEW
    ZINC000150345080    		 1 C39 H76 Br2 N O8 P InChI=1S/C39H76Br2NO8P/c1
    -3-5-7-9-11-12-13-14-15-1
    6-17-21-25-29-38(43)47-33
    -35(34-49-51(45,46)48-32-
    31-42)50-39(44)30-26-22-1
    8-20-24-28-37(41)36(40)27
    -23-19-10-8-6-4-2/h35-37H
    ,3-34,42H2,1-2H3,(H,45,46
    )/t35-,36+,37+/m1/s1;
    DQMAEWCVUIFGMB-BOALQFNTSA-N    		 BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)
    (OCCN)O)COC(=O)CCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=
    O)CCCCCCC[CH](Br)[CH](Br)CCCCCCCC; CCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O)OCCN
    )OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=
    O)(O)OCCN)OC(=O)CCCCCCC[C@@H]([C@H](CCCC
    CCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OCC(COP(
    =O)(O)OCCN)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)
    Br    		 (1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE;
    DIBROMINATED PHOSPHATIDYLETHANOLAMINE;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    33054
    PEX    		 0 C25 H49 N O8 P InChI=1S/C25H50NO8P/c1-3-
    5-7-9-11-13-15-17-24(27)3
    1-21-23(22-33-35(29,30)32
    -20-19-26)34-25(28)18-16-
    14-12-10-8-6-4-2/h23H,3-2
    2,26H2,1-2H3,(H,29,30)/p-
    1/t23-/m1/s1;
    KKOSJVWUOHEQKA-HSZRJFAPSA-M    		 CCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCN)OC(=
    O)CCCCCCCCC; CCCCCCCCCC(=O)OC[CH](CO[P](
    [O-])(=O)OCCN)OC(=O)CCCCCCCCC; CCCCCCCCC
    C(=O)OC[C@H](CO[P@](=O)([O-])OCCN)OC(=O)
    CCCCCCCCC; O=C(OCC(OC(=O)CCCCCCCCC)COP([
    O-])(=O)OCCN)CCCCCCCCC; CCCCCCCCCC(=O)OC
    [C@H](CO[P]([O-])(=O)OCCN)OC(=O)CCCCCCCC
    C    		 1,2-DIDECANOYL-SN-GLYCERO-3-PHOSPHOETHANOLAMINE
    33055
    PEY
    CHEMBL46730
    ZINC000000967819    		 2 C14 H10 InChI=1S/C14H10/c1-3-7-13
    -11(5-1)9-10-12-6-2-4-8-1
    4(12)13/h1-10H;
    YNPNZTXNASCQKK-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc3ccccc23; c3cc2ccc1ccccc1c
    2cc3; c1ccc2c(c1)ccc3c2cccc3    		 PHENANTHRENE
    33056
    PEZ
    DB03248
    ZINC000012503329    		 2 C4 H9 O6 P InChI=1S/C4H9O6P/c1-2-3(4
    (5)6)10-11(7,8)9/h3H,2H2,
    1H3,(H,5,6)(H2,7,8,9)/t3-
    /m1/s1;
    OETAGSCBSKODFW-GSVOUGTGSA-N    		 O=P(O)(O)OC(C(=O)O)CC; CC[C@@H](O[P](O)(
    O)=O)C(O)=O; CC[CH](O[P](O)(O)=O)C(O)=O;
    CCC(C(=O)O)OP(=O)(O)O    		 2-(PHOSPHONOOXY)BUTANOIC ACID
    33057
    PF    		 0 C13 H12 N3 InChI=1/C13H11N3/c14-10-3
    -1-8-5-9-2-4-11(15)7-13(9
    )16-12(8)6-10/h1-7H,14-15
    H2/p+1/fC13H12N3/h16H/q+1;
    WDVSHHCDHLJJJR-LJXQPQFLCS    		 c1cc(cc2c1cc3ccc(cc3[nH+]2)N)N; Nc1ccc2c
    c3ccc(N)cc3[nH+]c2c1; c3(ccc2cc1ccc(N)cc
    1[nH+]c2c3)N    		 PROFLAVINE
    33058
    PF0
    ZINC000001698894    		 1 C8 H8 O3 InChI=1S/C8H8O3/c1-5-6(8(
    10)11)3-2-4-7(5)9/h2-4,9H
    ,1H3,(H,10,11);
    RIERSGULWXEJKL-UHFFFAOYSA-N    		 Cc1c(cccc1O)C(=O)O; O=C(O)c1cccc(O)c1C;
    Cc1c(O)cccc1C(O)=O    		 3-hydroxy-2-methylbenzoic acid
    33059
    PF1
    ZINC000016052433    		 2 C9 H14 N4 O2 InChI=1S/C9H14N4O2/c1-7-1
    1-4-8(9(10)12-7)5-13(6-15
    )2-3-14/h4,6,14H,2-3,5H2,
    1H3,(H2,10,11,12);
    PXEGMHGZZOOILN-UHFFFAOYSA-N    		 O=CN(Cc1cnc(nc1N)C)CCO; Cc1ncc(c(n1)N)CN
    (CCO)C=O; Cc1ncc(CN(CCO)C=O)c(N)n1    		 N-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-N-(2-HYDROXYETHYL)FORMAMIDE
    33060
    PF2
    CHEMBL515387
    DB08382
    ZINC000023247686    		 2 C17 H24 F2 N6 O InChI=1S/C17H24F2N6O/c18-
    17(19)2-5-25(12-17)15(26)
    14-10-13(11-22-14)23-6-8-
    24(9-7-23)16-20-3-1-4-21-
    16/h1,3-4,13-14,22H,2,5-1
    2H2/t13-,14-/m0/s1;
    QWEWGXUTRTXFRF-KBPBESRZSA-N    		 c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC(
    C4)(F)F; c1cnc(nc1)N2CCN(CC2)[C@H]3C[C@H
    ](NC3)C(=O)N4CCC(C4)(F)F; FC4(F)CCN(C(=O
    )C3NCC(N2CCN(c1ncccn1)CC2)C3)C4; FC1(F)C
    CN(C1)C(=O)[CH]2C[CH](CN2)N3CCN(CC3)c4nc
    ccn4; FC1(F)CCN(C1)C(=O)[C@@H]2C[C@@H](C
    N2)N3CCN(CC3)c4ncccn4    		 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
    33061
    PF3
    CHEMBL508461
    DB03367
    ZINC000006744035    		 4 C25 H20 N2 O3 S InChI=1S/C25H20N2O3S/c28-
    24(29)15-22(20-4-2-1-3-5-
    20)27-25(30)23-14-21(16-3
    1-23)18-8-6-17(7-9-18)19-
    10-12-26-13-11-19/h1-14,1
    6,22H,15H2,(H,27,30)(H,28
    ,29)/t22-/m1/s1;
    VMTJQZUZINLEKC-JOCHJYFZSA-N    		 c1ccc(cc1)C(CC(=O)O)NC(=O)c2cc(cs2)c3ccc
    (cc3)c4ccncc4; OC(=O)C[C@@H](NC(=O)c1scc
    (c1)c2ccc(cc2)c3ccncc3)c4ccccc4; c1ccc(c
    c1)[C@@H](CC(=O)O)NC(=O)c2cc(cs2)c3ccc(c
    c3)c4ccncc4; O=C(O)CC(c1ccccc1)NC(=O)c4s
    cc(c3ccc(c2ccncc2)cc3)c4; OC(=O)C[CH](NC
    (=O)c1scc(c1)c2ccc(cc2)c3ccncc3)c4ccccc4    		 (2R)-3-({[4-[(PYRIDIN-4-YL)PHENYL]-THIEN-2-YL}CARBOXAMIDO)(PHENYL)PROPANOIC ACID;
    PF-00356231;
    3-PHENYL-3-({[4-(4-PYRIDIN-4-YLPHENYL)THIEN-2-YL]CARBONYL}AMINO)PROPANOIC ACID
    33062
    PF4
    CHEMBL1235237
    DB08383
    ZINC000000860663    		 1 C21 H18 N2 O2 S InChI=1S/C21H18N2O2S/c1-2
    4-16-9-5-14(6-10-16)19-20
    (15-7-11-17(25-2)12-8-15)
    23-21(22-19)18-4-3-13-26-
    18/h3-13H,1-2H3,(H,22,23);
    XBMULXNXJLWLLD-UHFFFAOYSA-N    		 n2c(c(c1ccc(OC)cc1)nc2c3sccc3)c4ccc(OC)c
    c4; COc1ccc(cc1)c2[nH]c(nc2c3ccc(OC)cc3)
    c4sccc4; COc1ccc(cc1)c2c(nc([nH]2)c3cccs
    3)c4ccc(cc4)OC    		 4,5-bis(4-methoxyphenyl)-2-thiophen-2-yl-1H-imidazole
    33063
    PF5
    ZINC000002515995    		 0 C9 H6 F5 N O2 InChI=1S/C9H6F5NO2/c10-4-
    2(1-3(15)9(16)17)5(11)7(1
    3)8(14)6(4)12/h3H,1,15H2,
    (H,16,17)/t3-/m0/s1;
    YYTDJPUFAVPHQA-VKHMYHEASA-N    		 N[CH](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; C(c
    1c(c(c(c(c1F)F)F)F)F)C(C(=O)O)N; C(c1c(c
    (c(c(c1F)F)F)F)F)[C@@H](C(=O)O)N; N[C@@H
    ](Cc1c(F)c(F)c(F)c(F)c1F)C(O)=O; Fc1c(c(
    F)c(F)c(F)c1F)CC(C(=O)O)N    		 2,3,4,5,6-PENTAFLUORO-L-PHENYLALANINE;
    FLUORINATED PHENYLALANINE
    33064
    PF6
    CHEMBL562317
    DB08384
    ZINC000043071709    		 1 C25 H20 N4 O InChI=1S/C25H20N4O/c1-2-4
    -24-19(3-1)5-8-22(28-24)1
    7-30-23-9-6-20(7-10-23)25
    -21(16-27-29-25)15-18-11-
    13-26-14-12-18/h1-14,16H,
    15,17H2,(H,27,29);
    RQDDHVVAAJVVKM-UHFFFAOYSA-N    		 c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c4c(c[nH]n
    4)Cc5ccncc5; n1c5c(ccc1COc4ccc(c2nncc2Cc
    3ccncc3)cc4)cccc5; C(Oc1ccc(cc1)c2n[nH]c
    c2Cc3ccncc3)c4ccc5ccccc5n4    		 2-({4-[4-(pyridin-4-ylmethyl)-1H-pyrazol-3-yl]phenoxy}methyl)quinoline
    33065
    PF7
    DB08385
    ZINC000038995984    		 2 C16 H18 N2 O2 InChI=1S/C16H18N2O2/c19-1
    6(20)18-7-5-12(6-8-18)9-1
    3-10-14-3-1-2-4-15(14)17-
    11-13/h1-4,10-12H,5-9H2,(
    H,19,20);
    QUAGUFNCKDDJFZ-UHFFFAOYSA-N    		 OC(=O)N1CCC(CC1)Cc2cnc3ccccc3c2; O=C(O)N
    3CCC(Cc1cc2ccccc2nc1)CC3; c1ccc2c(c1)cc(
    cn2)CC3CCN(CC3)C(=O)O    		 4-(quinolin-3-ylmethyl)piperidine-1-carboxylic acid
    33066
    PF8
    CHEMBL560377
    DB08386
    ZINC000035931586    		 1 C24 H18 N4 O InChI=1S/C24H18N4O/c1-2-4
    -23-18(3-1)5-8-20(27-23)1
    6-29-21-9-6-19(7-10-21)24
    -22(15-26-28-24)17-11-13-
    25-14-12-17/h1-15H,16H2,(
    H,26,28);
    VRWJZGHUCOFGPZ-UHFFFAOYSA-N    		 n5ccc(c1c(nnc1)c4ccc(OCc2nc3c(cc2)cccc3)
    cc4)cc5; c1ccc2c(c1)ccc(n2)COc3ccc(cc3)c
    4c(c[nH]n4)c5ccncc5; C(Oc1ccc(cc1)c2n[nH
    ]cc2c3ccncc3)c4ccc5ccccc5n4    		 2-{[4-(4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
    33067
    PF9
    CHEMBL562318
    DB08387
    ZINC000035859742    		 5 C25 H20 N4 O InChI=1S/C25H20N4O/c1-29-
    16-23(18-12-14-26-15-13-1
    8)25(28-29)20-7-10-22(11-
    8-20)30-17-21-9-6-19-4-2-
    3-5-24(19)27-21/h2-16H,17
    H2,1H3;
    AZEXWHKOMMASPA-UHFFFAOYSA-N    		 Cn1cc(c2ccncc2)c(n1)c3ccc(OCc4ccc5ccccc5
    n4)cc3; n1c5c(ccc1COc4ccc(c3nn(cc3c2ccnc
    c2)C)cc4)cccc5; Cn1cc(c(n1)c2ccc(cc2)OCc
    3ccc4ccccc4n3)c5ccncc5    		 2-{[4-(1-methyl-4-pyridin-4-yl-1H-pyrazol-3-yl)phenoxy]methyl}quinoline
    33068
    PFA
    CHEMBL125381
    DB03181
    ZINC000002047672    		 2 C20 H21 N3 O4 InChI=1S/C20H21N3O4/c1-11
    (2)16-9-15(5-6-17(16)24)2
    7-19-12(3)7-14(8-13(19)4)
    23-20(26)22-18(25)10-21-2
    3/h5-11,24H,1-4H3,(H,22,2
    5,26);
    RXQAVKWRCZYGMV-UHFFFAOYSA-N    		 O=C3C=NN(c2cc(c(Oc1cc(c(O)cc1)C(C)C)c(c2
    )C)C)C(=O)N3; Cc1cc(cc(c1Oc2ccc(c(c2)C(C
    )C)O)C)N3C(=O)NC(=O)C=N3; CC(C)c1cc(Oc2c
    (C)cc(cc2C)N3N=CC(=O)NC3=O)ccc1O    		 [4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-6-AZAURACIL;
    2-[4-(4-HYDROXY-3-ISOPROPYL-PHENOXY)-3,5-DIMETHYL-PHENYL]-2H-[1,2,4]TRIAZINE-3,5-DIONE
    33069
    PFB
    DB01711
    ZINC000001627118    		 54 C7 H3 F5 O InChI=1S/C7H3F5O/c8-3-2(1
    -13)4(9)6(11)7(12)5(3)10/
    h13H,1H2;
    PGJYYCIOYBZTPU-UHFFFAOYSA-N    		 C(c1c(c(c(c(c1F)F)F)F)F)O; OCc1c(F)c(F)c
    (F)c(F)c1F; Fc1c(c(F)c(F)c(F)c1F)CO    		 2,3,4,5,6-PENTAFLUOROBENZYL ALCOHOL
    33070
    PFC    		 1 C34 H48 Fe N9 O12 InChI=1S/C34H48N9O12.Fe/c
    1-21(44)41(53)15-7-12-25-
    31(49)35-20-30(48)38-28(1
    8-24-10-5-4-6-11-24)32(50
    )36-19-29(47)37-26(13-8-1
    6-42(54)22(2)45)33(51)40-
    27(34(52)39-25)14-9-17-43
    (55)23(3)46;/h4-6,10-11,2
    5-28H,7-9,12-20H2,1-3H3,(
    H,35,49)(H,36,50)(H,37,47
    )(H,38,48)(H,39,52)(H,40,
    51);/q-3;+3/t25-,26-,27-,
    28+;/m0./s1;
    CYHYTMBFIKKRSE-OVSNALSBSA-N    		 CC1=O[Fe]2345O=C(N(O2)CCCC6C(=O)NCC(=O)N
    C(C(=O)NCC(=O)NC(CCCN1O3)C(=O)NC(CCCN(O4
    )C(=O5)C)C(=O)N6)Cc7ccccc7)C; CC1=O[Fe]2
    345O=C(N(O2)CCC[C@H]6C(=O)NCC(=O)N[C@@H]
    (C(=O)NCC(=O)N[C@@H](CCCN1O3)C(=O)N[C@@H
    ](CCCN(O4)C(=O5)C)C(=O)N6)Cc7ccccc7)C; C
    C(=O)[N@@]1CCC[C@@H]2NC(=O)CNC(=O)[C@@H]
    (Cc3ccccc3)NC(=O)CNC(=O)[C@@H]4CCC[N@@](
    O[Fe](O1)O[N@](CCC[C@H](NC2=O)C(=O)N4)C(
    =O)C)C(=O)C; CC(=O)[N]1CCC[CH]2NC(=O)CNC
    (=O)[CH](Cc3ccccc3)NC(=O)CNC(=O)[CH]4CCC
    [N](O[Fe](O1)O[N](CCC[CH](NC2=O)C(=O)N4)
    C(=O)C)C(=O)C    		 PHENYLFERRICROCIN-IRON
    33071
    PFD
    CHEMBL222002
    DB08388
    ZINC000016051705    		 2 C20 H19 F N2 O6 InChI=1S/C20H19FN2O6/c1-2
    -27-12-11-20(17(24)22-19(
    26)23-18(20)25)29-16-9-7-
    15(8-10-16)28-14-5-3-13(2
    1)4-6-14/h3-10H,2,11-12H2
    ,1H3,(H2,22,23,24,25,26);
    XRSYNYGEEYTXJV-UHFFFAOYSA-N    		 O=C3NC(=O)NC(=O)C3(Oc2ccc(Oc1ccc(F)cc1)c
    c2)CCOCC; CCOCCC1(C(=O)NC(=O)NC1=O)Oc2cc
    c(cc2)Oc3ccc(cc3)F; CCOCCC1(Oc2ccc(Oc3cc
    c(F)cc3)cc2)C(=O)NC(=O)NC1=O    		 5-(2-ETHOXYETHYL)-5-[4-(4-FLUOROPHENOXY)PHENOXY]PYRIMIDINE-2,4,6(1H,3H,5H)-TRIONE
    33072
    PFE
    CHEMBL123678
    DB02848
    ZINC000002047838    		 2 C22 H22 N4 O3 S InChI=1S/C22H22N4O3S/c1-3
    -28-19-9-16-17(10-20(19)2
    9-4-2)23-13-24-22(16)25-1
    5-7-5-6-14(8-15)18-12-30-
    21(11-27)26-18/h5-10,12-1
    3,27H,3-4,11H2,1-2H3,(H,2
    3,24,25);
    ZJESXGUODSBHSK-UHFFFAOYSA-N    		 CCOc1cc2c(cc1OCC)ncnc2Nc3cccc(c3)c4csc(n
    4)CO; CCOc1cc2ncnc(Nc3cccc(c3)c4csc(CO)n
    4)c2cc1OCC; OCc4nc(c3cc(Nc2ncnc1c2cc(OCC
    )c(OCC)c1)ccc3)cs4    		 {4-[3-(6,7-DIETHOXY-QUINAZOLIN-4-YLAMINO)-PHENYL]-THIAZOL-2-YL}-METHANOL
    33073
    PFF
    CHEMBL1235242
    ZINC000000113778    		 2 C9 H10 F N O2 InChI=1S/C9H10FNO2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m0/s1;
    XWHHYOYVRVGJJY-QMMMGPOBSA-N    		 Fc1ccc(cc1)CC(C(=O)O)N; c1cc(ccc1CC(C(=O
    )O)N)F; c1cc(ccc1C[C@@H](C(=O)O)N)F; N[C
    @@H](Cc1ccc(F)cc1)C(O)=O; N[CH](Cc1ccc(F
    )cc1)C(O)=O    		 4-FLUORO-L-PHENYLALANINE
    33074
    PFG    		 2 C39 H44 N8 O15 InChI=1S/C39H44N8O15/c1-2
    -17-47(19-20-3-8-24-23(18
    -20)34(54)46-39(40)45-24)
    22-6-4-21(5-7-22)33(53)44
    -28(38(61)62)11-15-31(50)
    42-26(36(57)58)9-13-29(48
    )41-25(35(55)56)10-14-30(
    49)43-27(37(59)60)12-16-3
    2(51)52/h1,3-8,18,25-28H,
    9-17,19H2,(H,41,48)(H,42,
    50)(H,43,49)(H,44,53)(H,5
    1,52)(H,55,56)(H,57,58)(H
    ,59,60)(H,61,62)(H3,40,45
    ,46,54)/t25-,26-,27?,28-/
    m0/s1;
    SASAWWASHFSVQE-QGMKSFRFSA-N    		 C#CCN(Cc1ccc2c(c1)C(=O)N=C(N2)N)c3ccc(cc
    3)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC(
    CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; NC
    1=NC(=O)c2cc(CN(CC#C)c3ccc(cc3)C(=O)N[C@
    @H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O
    )NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
    )ccc2N1; NC1=NC(=O)c2cc(CN(CC#C)c3ccc(cc
    3)C(=O)N[CH](CCC(=O)N[CH](CCC(=O)N[CH](C
    CC(=O)NC(CCC(O)=O)C(O)=O)C(O)=O)C(O)=O)C
    (O)=O)ccc2N1; C#CC[N@](Cc1ccc2c(c1)C(=O)
    N=C(N2)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)N
    [C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@H](CCC(
    =O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; O=C(O)
    C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=
    O)CCC(C(=O)O)NC(=O)c1ccc(cc1)N(CC#C)Cc2c
    cc3NC(=NC(=O)c3c2)N)CCC(=O)O    		 10-PARPARGYL-5,8-DIDEAZAFOLATE-4-GLUTAMIC ACID
    33075
    PFH
    CHEMBL410834
    DB08389
    ZINC000014956477    		 1 C24 H23 N3 O3 InChI=1S/C24H23N3O3/c1-28
    -22-12-20-21(13-23(22)29-
    2)25-15-26-24(20)27-10-9-
    19(14-27)30-18-8-7-16-5-3
    -4-6-17(16)11-18/h3-8,11-
    13,15,19H,9-10,14H2,1-2H3
    /t19-/m1/s1;
    UPTQSRGSSJRBKJ-LJQANCHMSA-N    		 COc1cc2ncnc(N3CC[C@H](C3)Oc4ccc5ccccc5c4
    )c2cc1OC; COc1cc2ncnc(N3CC[CH](C3)Oc4ccc
    5ccccc5c4)c2cc1OC; COc1cc2c(cc1OC)ncnc2[
    N@]3CC[C@H](C3)Oc4ccc5ccccc5c4; n1cnc(c2
    cc(OC)c(OC)cc12)N5CCC(Oc4cc3ccccc3cc4)C5
    ; COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4ccc5cc
    ccc5c4    		 6,7-DIMETHOXY-4-[(3R)-3-(2-NAPHTHYLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
    33076
    PFI
    DB08390
    ZINC000100036690    		 1 C21 H27 F O4 InChI=1S/C21H27FO4/c1-14(
    2)25-19-8-7-15(11-18(19)2
    2)9-10-21(16-5-3-4-6-16)1
    3-17(23)12-20(24)26-21/h7
    -8,11-12,14,16,23H,3-6,9-
    10,13H2,1-2H3/t21-/m0/s1;
    AKNIHFDXRAOPAI-NRFANRHFSA-N    		 CC(C)Oc1ccc(cc1F)CCC2(CC(=CC(=O)O2)O)C3C
    CCC3; CC(C)Oc1ccc(cc1F)CC[C@]2(CC(=CC(=O
    )O2)O)C3CCCC3; CC(C)Oc1ccc(CC[C@]2(CC(=C
    C(=O)O2)O)C3CCCC3)cc1F; Fc1c(OC(C)C)ccc(
    c1)CCC2(OC(=O)C=C(O)C2)C3CCCC3; CC(C)Oc1
    ccc(CC[C]2(CC(=CC(=O)O2)O)C3CCCC3)cc1F    		 (6S)-6-CYCLOPENTYL-6-[2-(3-FLUORO-4-ISOPROPOXYPHENYL)ETHYL]-4-HYDROXY-5,6-DIHYDRO-2H-PYRAN-2-ONE
    33077
    PFJ
    CHEMBL219445
    DB08391
    ZINC000014956507    		 1 C22 H21 N5 O3 InChI=1S/C22H21N5O3/c1-28
    -19-9-15-18(10-20(19)29-2
    )24-13-25-22(15)27-8-7-14
    (12-27)30-21-11-23-16-5-3
    -4-6-17(16)26-21/h3-6,9-1
    1,13-14H,7-8,12H2,1-2H3/t
    14-/m1/s1;
    UBIIFKJMNRPNMT-CQSZACIVSA-N    		 COc1cc2c(cc1OC)ncnc2N3CCC(C3)Oc4cnc5cccc
    c5n4; COc1cc2c(cc1OC)ncnc2N3CC[C@H](C3)O
    c4cnc5ccccc5n4; n1cnc(c2cc(OC)c(OC)cc12)
    N5CCC(Oc3nc4c(nc3)cccc4)C5; COc1cc2ncnc(
    N3CC[CH](C3)Oc4cnc5ccccc5n4)c2cc1OC; COc
    1cc2ncnc(N3CC[C@H](C3)Oc4cnc5ccccc5n4)c2
    cc1OC    		 6,7-DIMETHOXY-4-[(3R)-3-(QUINOXALIN-2-YLOXY)PYRROLIDIN-1-YL]QUINAZOLINE
    33078
    PFK
    CHEMBL1738857
    ZINC000066167060    		 1 C20 H17 N3 O2 InChI=1S/C20H17N3O2/c1-24
    -19-10-15-12-21-13-22-18(
    15)11-20(19)25-9-8-16-7-6
    -14-4-2-3-5-17(14)23-16/h
    2-7,10-13H,8-9H2,1H3;
    REIGRVDNVZOVDL-UHFFFAOYSA-N    		 n4c3c(cc(OC)c(OCCc1nc2c(cc1)cccc2)c3)cnc
    4; COc1cc2cncnc2cc1OCCc3ccc4ccccc4n3    		 6-methoxy-7-[2-(quinolin-2-yl)ethoxy]quinazoline
    33079
    PFL
    CHEMBL526
    DB00818
    ZINC000000968303    		 41 C12 H18 O InChI=1S/C12H18O/c1-8(2)1
    0-6-5-7-11(9(3)4)12(10)13
    /h5-9,13H,1-4H3;
    OLBCVFGFOZPWHH-UHFFFAOYSA-N    		 Oc1c(cccc1C(C)C)C(C)C; CC(C)c1cccc(c1O)C
    (C)C; CC(C)c1cccc(C(C)C)c1O    		 2,6-BIS(1-METHYLETHYL)PHENOL;
    2,6-DIISOPROPYLPHENOL;
    PROPOFOL
    33080
    PFM
    ZINC000033821463    		 5 C14 H19 N2 O8 P InChI=1S/C14H19N2O8P/c1-8
    -13(18)11(9(6-16-8)7-24-2
    5(21,22)23)4-2-10(17)3-5-
    12(15)14(19)20/h2-4,6,12,
    17-18H,5,7,15H2,1H3,(H,19
    ,20)(H2,21,22,23)/b4-2+,1
    0-3-/t12-/m0/s1;
    FKVMVCAAQIJMAO-UGEYCXAUSA-N    		 O=C(O)C(N)C/C=C(\O)/C=C/c1c(cnc(c1O)C)CO
    P(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=CC
    (=CCC(C(=O)O)N)O)O; Cc1ncc(CO[P](O)(O)=O
    )c(/C=C/C(O)=C/C[C@H](N)C(O)=O)c1O; Cc1n
    cc(CO[P](O)(O)=O)c(C=CC(O)=CC[CH](N)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)\C=C\C(
    =C\C[C@@H](C(=O)O)N)\O)O    		 1-AMINO-7-(2-METHYL-3-OXIDO-5-((PHOSPHONOXY)METHYL)-4-PYRIDOXAL-5-OXO-6-HEPTENATE;
    PYRIDOXYLIDENE-PROPEN-1-YL-3-ALANINE-5-PHOSPHATE
    33081
    PFN
    CHEMBL249244
    ZINC000000402909    		 7 C15 H14 O3 InChI=1S/C15H14O3/c1-11(1
    5(16)17)12-6-5-9-14(10-12
    )18-13-7-3-2-4-8-13/h2-11
    H,1H3,(H,16,17)/t11-/m1/s
    1;
    RDJGLLICXDHJDY-LLVKDONJSA-N    		 C[CH](C(O)=O)c1cccc(Oc2ccccc2)c1; C[C@H]
    (c1cccc(c1)Oc2ccccc2)C(=O)O; CC(c1cccc(c
    1)Oc2ccccc2)C(=O)O; C[C@@H](C(O)=O)c1ccc
    c(Oc2ccccc2)c1; O=C(O)C(c2cc(Oc1ccccc1)c
    cc2)C    		 FENOPROFEN;
    (2R)-2-(3-PHENOXYPHENYL)PROPANOIC ACID
    33082
    PFO
    CHEMBL4128865    		 1 C22 H22 F N7 O InChI=1S/C22H22FN7O/c23-1
    6-3-1-15(2-4-16)20-21(19-
    5-9-25-22(24)27-19)30(14-
    26-20)18-6-10-29(11-7-18)
    13-17-8-12-31-28-17/h1-5,
    8-9,12,14,18H,6-7,10-11,1
    3H2,(H2,24,25,27);
    XPWHRQHBPRSUAW-UHFFFAOYSA-N    		 c1cc(ccc1c2c(n(cn2)C3CCN(CC3)Cc4ccon4)c5
    ccnc(n5)N)F; Fc1ccc(cc1)c3ncn(c3c2nc(ncc
    2)N)C5CCN(Cc4nocc4)CC5; Nc1nccc(n1)c2n(c
    nc2c3ccc(F)cc3)C4CCN(CC4)Cc5ccon5    		 4-{4-(4-fluorophenyl)-1-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]-1H-imidazol-5-yl}pyrimidin-2-amine
    33083
    PFP
    CHEMBL190201
    DB08392
    ZINC000002501415    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c1-27
    -16-7-3-14(4-8-16)18-19-2
    1(23-11-12-26)24-13-25-22
    (19)29-20(18)15-5-9-17(28
    -2)10-6-15/h3-10,13,26H,1
    1-12H2,1-2H3,(H,23,24,25);
    ARBUGBBNEFAECO-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3c(ncnc3oc2c4ccc(cc4)OC)N
    CCO; COc1ccc(cc1)c2oc3ncnc(NCCO)c3c2c4cc
    c(OC)cc4; n1c(c2c(nc1)oc(c2c3ccc(OC)cc3)
    c4ccc(OC)cc4)NCCO    		 2-[5,6-BIS-(4-METHOXY-PHENYL)-FURO[2,3-D]PYRIMIDIN-4-YLAMINO]-ETHANOL
    33084
    PFQ
    CHEMBL189434
    DB08393
    ZINC000001803337    		 2 C20 H17 N3 O2 InChI=1S/C20H17N3O2/c24-1
    2-11-21-19-17-16(14-7-3-1
    -4-8-14)18(15-9-5-2-6-10-
    15)25-20(17)23-13-22-19/h
    1-10,13,24H,11-12H2,(H,21
    ,22,23);
    UQHINZSKNAAVOZ-UHFFFAOYSA-N    		 OCCNc1ncnc2oc(c3ccccc3)c(c4ccccc4)c12; n
    1c(c2c(nc1)oc(c2c3ccccc3)c4ccccc4)NCCO;
    c1ccc(cc1)c2c3c(ncnc3oc2c4ccccc4)NCCO    		 2-[(5,6-DIPHENYLFURO[2,3-D]PYRIMIDIN-4-YL)AMINO]ETHANOL
    33085
    PFR
    ZINC000066167124    		 1 C27 H28 N4 O2 InChI=1S/C27H28N4O2/c1-32
    -25-17-24-23(16-26(25)33-
    15-12-22-11-5-6-13-28-22)
    27(30-19-29-24)31-14-7-10
    -21(18-31)20-8-3-2-4-9-20
    /h2-6,8-9,11,13,16-17,19,
    21H,7,10,12,14-15,18H2,1H
    3/t21-/m1/s1;
    DWBBOQWADWMQGE-OAQYLSRUSA-N    		 COc1cc2c(cc1OCCc3ccccn3)c(ncn2)[N@]4CCC[
    C@H](C4)c5ccccc5; COc1cc2ncnc(N3CCC[CH](
    C3)c4ccccc4)c2cc1OCCc5ccccn5; n1cnc5c(c1
    N3CCCC(c2ccccc2)C3)cc(OCCc4ncccc4)c(OC)c
    5; COc1cc2c(cc1OCCc3ccccn3)c(ncn2)N4CCCC
    (C4)c5ccccc5; COc1cc2ncnc(N3CCC[C@H](C3)
    c4ccccc4)c2cc1OCCc5ccccn5    		 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(pyridin-2-yl)ethoxy]quinazoline
    33086
    PFS
    CHEMBL1235246
    DB02261    		 4 C26 H54 N O7 P InChI=1S/C26H54NO7P/c1-6-
    7-8-9-10-11-12-13-14-15-1
    6-17-18-19-21-31-23-26(34
    -25(2)28)24-33-35(29,30)3
    2-22-20-27(3,4)5/h26H,6-2
    4H2,1-5H3/t26-/m1/s1;
    HVAUUPRFYPCOCA-AREMUKBSSA-N    		 CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC[N+]
    (C)(C)C)OC(=O)C; CCCCCCCCCCCCCCCCOC[CH](
    CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; [
    O-]P(=O)(OCC(OC(=O)C)COCCCCCCCCCCCCCCCC)
    OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCOC[C@H](
    CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(C)=O; C
    CCCCCCCCCCCCCCCOC[C@H](COP(=O)([O-])OCC[
    N+](C)(C)C)OC(=O)C    		 (2R)-2-(acetyloxy)-3-(hexadecyloxy)propyl 2-(trimethylammonio)ethyl phosphate;
    PLATELET ACTIVATING FACTOR
    33087
    PFT
    CHEMBL514290    		 5 C15 H13 N O3 InChI=1S/C15H13NO3/c17-12
    -5-6-13(14(18)7-12)15(19)
    16-8-10-3-1-2-4-11(10)9-1
    6/h1-7,17-18H,8-9H2;
    FYANAIGOGAIFAF-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)C(=O)c3ccc(cc3O)O; O=C(
    c1ccc(O)cc1O)N3Cc2ccccc2C3; Oc1ccc(c(O)c
    1)C(=O)N2Cc3ccccc3C2    		 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol
    33088
    PFU
    CHEMBL1164953
    ZINC000049803241    		 5 C9 H14 N3 O9 P InChI=1S/C9H14N3O9P/c10-9
    (16)4-6(14)3(11-12-4)8-7(
    15)5(13)2(21-8)1-20-22(17
    ,18)19/h2,5,7-8,13-15H,1H
    2,(H2,10,16)(H,11,12)(H2,
    17,18,19)/t2-,5-,7-,8+/m1
    /s1;
    CUHDHRMGDRLFLH-FLLFQEBCSA-N    		 C(C1C(C(C(O1)c2c(c([nH]n2)C(=O)N)O)O)O)O
    P(=O)(O)O; C([C@@H]1[C@H]([C@H]([C@@H](O
    1)c2c(c([nH]n2)C(=O)N)O)O)O)OP(=O)(O)O;
    NC(=O)c1[nH]nc([C@@H]2O[C@H](CO[P](O)(O)
    =O)[C@@H](O)[C@H]2O)c1O; NC(=O)c1[nH]nc(
    [CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O)c
    1O; O=C(N)c1c(O)c(nn1)C2OC(COP(=O)(O)O)C
    (O)C2O    		 (1S)-1,4-anhydro-1-(5-carbamoyl-4-hydroxy-1H-pyrazol-3-yl)-5-O-phosphono-D-ribitol;
    Pyrazofurin Monophosphate
    33089
    PFV
    ZINC000098209297    		 1 C20 H26 N8 O12 S2 InChI=1S/C20H26N8O12S2/c1
    -20(2,17(33)34)40-26-15(1
    2-8-41-18(21)25-12)16(32)
    24-11(7-29)10(27-42(37,38
    )39)5-23-19(35)22-4-9-3-1
    3(30)14(31)6-28(9)36/h3,6
    -8,10-11,27,31,36H,4-5H2,
    1-2H3,(H2,21,25)(H,24,32)
    (H,33,34)(H2,22,23,35)(H,
    37,38,39)/b26-15-/t10-,11
    -/m1/s1;
    DRGQACYRFXBYPT-SATPWBBZSA-N    		 CC(C)(C(=O)O)ON=C(c1csc(n1)N)C(=O)NC(C=O
    )C(CNC(=O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O
    )O; CC(C)(O/N=C(C(=O)N[C@H](C=O)[C@@H](C
    NC(=O)NCC1=CC(=O)C(=CN1O)O)N[S](O)(=O)=O
    )/c2csc(N)n2)C(O)=O; CC(C)(C(=O)O)O/N=C(
    /c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@H](CNC(
    =O)NCC2=CC(=O)C(=CN2O)O)NS(=O)(=O)O; CC(
    C)(ON=C(C(=O)N[CH](C=O)[CH](CNC(=O)NCC1=
    CC(=O)C(=CN1O)O)N[S](O)(=O)=O)c2csc(N)n2
    )C(O)=O; O=C1C=C(N(O)C=C1O)CNC(=O)NCC(NS
    (=O)(=O)O)C(C=O)NC(=O)C(=N\OC(C(=O)O)(C)
    C)/c2nc(sc2)N    		 (6R,7S,10Z)-10-(2-amino-1,3-thiazol-4-yl)-1-(1,5-dihydroxy-4-oxo-1,4-dihydropyridin-2-yl)-7-formyl-13,13-dimethyl-3,9-dioxo-6-(sulfoamino)-12-oxa-2,4,8,11-tetraazatetradec-10-en-14-oic acid
    33090
    PFW
    ZINC000043194380    		 1 C31 H30 N4 O2 InChI=1S/C31H30N4O2/c1-36
    -29-19-28-26(18-30(29)37-
    17-15-25-14-13-23-10-5-6-
    12-27(23)34-25)31(33-21-3
    2-28)35-16-7-11-24(20-35)
    22-8-3-2-4-9-22/h2-6,8-10
    ,12-14,18-19,21,24H,7,11,
    15-17,20H2,1H3/t24-/m1/s1;
    MUQUFIBWWXZLNL-XMMPIXPASA-N    		 n1cnc6c(c1N3CCCC(c2ccccc2)C3)cc(OCCc4nc5
    c(cc4)cccc5)c(OC)c6; COc1cc2ncnc(N3CCC[C
    @H](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5;
    COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)[N@
    ]5CCC[C@H](C5)c6ccccc6; COc1cc2ncnc(N3CC
    C[CH](C3)c4ccccc4)c2cc1OCCc5ccc6ccccc6n5
    ; COc1cc2c(cc1OCCc3ccc4ccccc4n3)c(ncn2)N
    5CCCC(C5)c6ccccc6    		 7-methoxy-4-[(3S)-3-phenylpiperidin-1-yl]-6-[2-(quinolin-2-yl)ethoxy]quinazoline
    33091
    PFX
    CHEMBL370260
    ZINC000001618813    		 2 C6 H13 N O4 InChI=1S/C6H13NO4/c7-1-2-
    10-3-4-11-5-6(8)9/h1-5,7H
    2,(H,8,9);
    RUVRGYVESPRHSZ-UHFFFAOYSA-N    		 NCCOCCOCC(O)=O; C(COCCOCC(=O)O)N 2-[2-(2-azanylethoxy)ethoxy]ethanoic acid
    33092
    PFY    		 1 C32 H34 Cl2 N4 O4 S InChI=1S/C32H34Cl2N4O4S/c
    1-19-29(35-20(2)30(19)32(
    40)38-14-6-7-21(38)17-37-
    12-3-4-13-37)16-24-23-15-
    22(10-11-28(23)36-31(24)3
    9)43(41,42)18-25-26(33)8-
    5-9-27(25)34/h5,8-11,15-1
    6,21,35H,3-4,6-7,12-14,17
    -18H2,1-2H3,(H,36,39)/b24
    -16-/t21-/m0/s1;
    OYONTEXKYJZFHA-MVUTXWCHSA-N    		 Cc1[nH]c(\C=C2/C(=O)Nc3ccc(cc23)[S](=O)(
    =O)Cc4c(Cl)cccc4Cl)c(C)c1C(=O)N5CCC[C@H]
    5CN6CCCC6; Clc1cccc(Cl)c1CS(=O)(=O)c2ccc
    3c(c2)/C(C(=O)N3)=C/c4c(c(c(n4)C)C(=O)N5
    CCCC5CN6CCCC6)C; Cc1c([nH]c(c1C(=O)N2CCC
    [C@H]2CN3CCCC3)C)\C=C/4\c5cc(ccc5NC4=O)S
    (=O)(=O)Cc6c(cccc6Cl)Cl; Cc1c([nH]c(c1C(
    =O)N2CCCC2CN3CCCC3)C)C=C4c5cc(ccc5NC4=O)
    S(=O)(=O)Cc6c(cccc6Cl)Cl; Cc1[nH]c(C=C2C
    (=O)Nc3ccc(cc23)[S](=O)(=O)Cc4c(Cl)cccc4
    Cl)c(C)c1C(=O)N5CCC[CH]5CN6CCCC6    		 (3Z)-5-[(2,6-DICHLOROBENZYL)SULFONYL]-3-[(3,5-DIMETHYL-4-{[(2S)-2-(PYRROLIDIN-1-YLMETHYL)PYRROLIDIN-1-YL]CARBONYL}-1H-PYRROL-2-YL)METHYLIDENE]-1,3-DIHYDRO-2H-INDOL-2-ONE
    33093
    PFZ
    DB02617    		 2 C17 H22 Cl2 N2 O InChI=1S/C17H22Cl2N2O/c1-
    2-3-4-5-8-17(22,12-21-10-
    9-20-13-21)15-7-6-14(18)1
    1-16(15)19/h6-7,9-11,13,2
    2H,2-5,8,12H2,1H3/t17-/m0
    /s1;
    WJBNLGBHMWNHRZ-KRWDZBQOSA-N    		 CCCCCC[C](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; CC
    CCCCC(Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC
    [C@](Cn1ccnc1)(c2ccc(cc2Cl)Cl)O; CCCCCC[
    C@](O)(Cn1ccnc1)c2ccc(Cl)cc2Cl; Clc1ccc(
    c(Cl)c1)C(O)(CCCCCC)Cn2ccnc2    		 1-(N-IMIDAZOLYL)-2-HYDROXY-2-(2,3-DICHLOROPHENYL)OCTANE
    33094
    PG0
    CHEMBL1235250
    ZINC000001577245    		 0 C5 H12 O3 InChI=1S/C5H12O3/c1-7-4-5
    -8-3-2-6/h6H,2-5H2,1H3;
    SBASXUCJHJRPEV-UHFFFAOYSA-N    		 COCCOCCO; OCCOCCOC 2-(2-METHOXYETHOXY)ETHANOL;
    PEG 6000
    33095
    PG1    		 0 C19 H23 N3 O7 S InChI=1S/C19H25N3O7S/c1-1
    9(2)14(17(26)27)22-15(30-
    19)13(18(28)29-9-11(20)16
    (24)25)21-12(23)8-10-6-4-
    3-5-7-10/h3-7,11,13-15,22
    H,8-9,20H2,1-2H3,(H,21,23
    )(H,24,25)(H,26,27)/p-2/t
    11-,13-,14-,15+/m0/s1;
    USNINKBPBVKHHZ-CYUUQNCZSA-L    		 CC1([C@@H](N[C@H](S1)[C@@H](C(=O)OC[C@@H
    ](C(=O)[O-])N)NC(=O)Cc2ccccc2)C(=O)[O-])
    C; CC1(C)S[CH](N[CH]1C([O-])=O)[CH](NC(=
    O)Cc2ccccc2)C(=O)OC[CH](N)C([O-])=O; CC1
    (C(NC(S1)C(C(=O)OCC(C(=O)[O-])N)NC(=O)Cc
    2ccccc2)C(=O)[O-])C; CC1(C)S[C@@H](N[C@H
    ]1C([O-])=O)[C@H](NC(=O)Cc2ccccc2)C(=O)O
    C[C@H](N)C([O-])=O; O=C(NC(C(=O)OCC(C([O
    -])=O)N)C1SC(C(N1)C([O-])=O)(C)C)Cc2cccc
    c2    		 PENICILLIN G ACYL-SERINE
    33096
    PG2
    CHEMBL1235252
    DB02056
    ZINC000085994848    		 2 C20 H32 O5 InChI=1S/C20H32O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-18,21-22H,2-3,5-6,8-11,
    14H2,1H3,(H,24,25)/b7-4-,
    13-12+/t15-,16+,17+,18-/m
    0/s1;
    BHMBVRSPMRCCGG-OUTUXVNYSA-N    		 CCCCCC(C=CC1C(C(CC1=O)O)CC=CCCCC(=O)O)O;
    O=C1CC(O)C(C\C=C/CCCC(=O)O)C1/C=C/C(O)C
    CCCC; CCCCC[CH](O)C=C[CH]1[CH](CC=CCCCC(
    O)=O)[CH](O)CC1=O; CCCCC[C@@H](\C=C\[C@@
    H]1[C@H]([C@H](CC1=O)O)C\C=C/CCCC(=O)O)O
    ; CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C\C=C/
    CCCC(O)=O)[C@@H](O)CC1=O    		 PROSTAGLANDIN D2;
    (5E,13E)-9,15-DIHYDROXY-11-OXOPROSTA-5,13-DIEN-1-OIC ACID
    33097
    PG3
    DB03637    		 6 C4 H12 N3 O InChI=1S/C4H11N3O/c5-4(6)
    7-2-1-3-8/h8H,1-3H2,(H4,5
    ,6,7)/p+1;
    JDXXTKLHHZMVIO-UHFFFAOYSA-O    		 C(CNC(=[NH2+])N)CO; NC(=[NH2+])NCCCO; OC
    CCNC(=[NH2+])\N    		 GUANIDINE-3-PROPANOL
    33098
    PG4
    CHEMBL1235254
    ZINC000001591820    		 13 C8 H18 O5 InChI=1S/C8H18O5/c9-1-3-1
    1-5-7-13-8-6-12-4-2-10/h9
    -10H,1-8H2;
    UWHCKJMYHZGTIT-UHFFFAOYSA-N    		 OCCOCCOCCOCCO; C(COCCOCCOCCO)O TETRAETHYLENE GLYCOL
    33099
    PG5
    CHEMBL1235255
    DB02078
    ZINC000001693863    		 0 C8 H18 O4 InChI=1S/C8H18O4/c1-9-3-5
    -11-7-8-12-6-4-10-2/h3-8H
    2,1-2H3;
    YFNKIDBQEZZDLK-UHFFFAOYSA-N    		 O(C)CCOCCOCCOC; COCCOCCOCCOC 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE
    33100
    PG6
    DB02580
    ZINC000004530388    		 0 C12 H26 O6 InChI=1S/C12H26O6/c1-13-3
    -5-15-7-9-17-11-12-18-10-
    8-16-6-4-14-2/h3-12H2,1-2
    H3;
    DMDPGPKXQDIQQG-UHFFFAOYSA-N    		 O(CCOC)CCOCCOCCOCCOC; COCCOCCOCCOCCOCCOC 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE
    33101
    PG7    		 0 C10 H14 N5 O7 P InChI=1S/C10H14N5O7P/c11-
    10-13-8-7(9(17)14-10)12-3
    -15(8)6-1-4(16)5(22-6)2-2
    1-23(18,19)20/h3-6,16H,1-
    2H2,(H2,18,19,20)(H3,11,1
    3,14,17)/t4-,5+,6+/m0/s1;
    LTFMZDNNPPEQNG-KVQBGUIXSA-N    		 O=P(O)(O)OCC3OC(n2cnc1c2nc(nc1O)N)CC3O;
    c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(
    O)O)O)nc(nc2O)N; Nc1nc(O)c2ncn([CH]3C[CH
    ](O)[CH](CO[P](O)(O)=O)O3)c2n1; c1nc2c(n
    1C3CC(C(O3)COP(=O)(O)O)O)nc(nc2O)N; Nc1n
    c(O)c2ncn([C@H]3C[C@H](O)[C@@H](CO[P](O)
    (O)=O)O3)c2n1    		 ((2R,3R,5R)-5-(2-AMINO-6-HYDROXY-9H-PURIN-9-YL)-3-HYDROXY-TETRAHYDROFURAN-2-YL)METHYL DIHYDROGEN PHOSPHATE
    33102
    PG8    		 0 C22 H42 O10 P InChI=1S/C22H43O10P/c1-3-
    5-7-9-11-13-21(25)29-17-2
    0(32-22(26)14-12-10-8-6-4
    -2)18-31-33(27,28)30-16-1
    9(24)15-23/h19-20,23-24H,
    3-18H2,1-2H3,(H,27,28)/p-
    1/t19-,20-/m1/s1;
    BQEXNLVNNRZNEI-WOJBJXKFSA-M    		 CCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH]
    (O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H]
    (CO[P@](=O)([O-])OC[C@@H](CO)O)OC(=O)CCC
    CCCC; CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O
    )OC[C@H](O)CO)OC(=O)CCCCCCC; CCCCCCCC(=O
    )OCC(COP(=O)([O-])OCC(CO)O)OC(=O)CCCCCCC
    ; O=C(OC(COP([O-])(=O)OCC(O)CO)COC(=O)CC
    CCCCC)CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)
    33103
    PG9
    CHEMBL1403
    ZINC000000154476    		 3 C8 H9 N O2 InChI=1S/C8H9NO2/c9-7(8(1
    0)11)6-4-2-1-3-5-6/h1-5,7
    H,9H2,(H,10,11)/t7-/m1/s1;
    ZGUNAGUHMKGQNY-SSDOTTSWSA-N    		 O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N
    ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O
    )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1    		 D-PHENYLGLYCINE
    33104
    PGA
    CHEMBL47181
    DB02726
    ZINC000003869735    		 164 C2 H5 O6 P InChI=1S/C2H5O6P/c3-2(4)1
    -8-9(5,6)7/h1H2,(H,3,4)(H
    2,5,6,7);
    ASCFNMCAHFUBCO-UHFFFAOYSA-N    		 OC(=O)CO[P](O)(O)=O; C(C(=O)O)OP(=O)(O)O
    ; O=P(O)(O)OCC(=O)O    		 2-PHOSPHOGLYCOLIC ACID
    33105
    PGC    		 0 C2 H6 N O6 P InChI=1/C2H6NO6P/c4-2(3-5
    )1-9-10(6,7)8/h5H,1H2,(H,
    3,4)(H2,6,7,8)/f/h3,6-7H;
    BAXHHWZKQZIJID-UXQYJXSCCI    		 O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O
    ; ONC(=O)CO[P](O)(O)=O    		 O-PHOSPHOGLYCOLOHYDROXAMATE
    33106
    PGD
    ZINC000195756841    		 28 C20 H24 N10 O13 P2 S2 InChI=1S/C20H24N10O13P2S2
    /c21-19-26-13-7(15(33)28-
    19)24-6-12(47)11(46)5(41-
    17(6)25-13)2-40-45(37,38)
    43-44(35,36)39-1-4-9(31)1
    0(32)18(42-4)30-3-23-8-14
    (30)27-20(22)29-16(8)34/h
    3-6,9-10,17-18,31-32,46-4
    7H,1-2H2,(H,35,36)(H,37,3
    8)(H3,22,27,29,34)(H3,21,
    25,26,28,33)/t4-,5-,6+,9-
    ,10-,17-,18-/m1/s1;
    SOFMTHSWCZNJTQ-ILXWUORBSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O
    CC4C(=C(C5C(O4)NC6=NC(=NC(=O)C6=N5)N)S)S
    )O)O)N=C(NC2=O)N; O=C6N=C(N=C1C6=NC2C(S)
    =C(S)C(OC2N1)COP(=O)(O)OP(=O)(O)OCC5OC(n
    4cnc3c4N=C(N)NC3=O)C(O)C5O)N; NC1=Nc2n(c
    nc2C(=O)N1)[C@@H]3O[C@H](CO[P@](O)(=O)O[
    P@@](O)(=O)OC[C@H]4O[C@H]5NC6=NC(=NC(=O)
    C6=N[C@H]5C(=C4S)S)N)[C@@H](O)[C@H]3O; c
    1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[
    P@@](=O)(O)O[P@](=O)(O)OC[C@@H]4C(=C([C@
    H]5[C@@H](O4)NC6=NC(=NC(=O)C6=N5)N)S)S)O
    )O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH
    ]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[
    CH]5NC6=NC(=NC(=O)C6=N[CH]5C(=C4S)S)N)[C
    H](O)[CH]3O    		 2-AMINO-5,6-DIMERCAPTO-7-METHYL-3,7,8A,9-TETRAHYDRO-8-OXA-1,3,9,10-TETRAAZA-ANTHRACEN-4-ONE GUANOSINE DINUCLEOTIDE
    33107
    PGE
    CHEMBL1235259
    DB02327
    ZINC000001690436    		 3 C6 H14 O4 InChI=1S/C6H14O4/c7-1-3-9
    -5-6-10-4-2-8/h7-8H,1-6H2;
    ZIBGPFATKBEMQZ-UHFFFAOYSA-N    		 C(COCCOCCO)O; OCCOCCOCCO TRIETHYLENE GLYCOL
    33108
    PGF    		 0 C9 H20 O4 InChI=1S/C9H20O4/c1-3-11-
    6-7-13-9-8-12-5-4-10-2/h3
    -9H2,1-2H3;
    JRRDISHSXWGFRF-UHFFFAOYSA-N    		 CCOCCOCCOCCOC; O(C)CCOCCOCCOCC 2,5,8,11-TETRAOXATRIDECANE
    33109
    PGG
    DB08394
    ZINC000002043201    		 2 C12 H15 N2 O8 P InChI=1S/C12H15N2O8P/c15-
    11(13-8-12(16)17)2-1-7-23
    (20,21)22-10-5-3-9(4-6-10
    )14(18)19/h3-6H,1-2,7-8H2
    ,(H,13,15)(H,16,17)(H,20,
    21);
    WLNKGRQBMNPVSJ-UHFFFAOYSA-N    		 O=P(Oc1ccc(cc1)[N+]([O-])=O)(O)CCCC(=O)N
    CC(=O)O; c1cc(ccc1[N+](=O)[O-])O[P@@](=O
    )(CCCC(=O)NCC(=O)O)O; OC(=O)CNC(=O)CCC[P
    ](O)(=O)Oc1ccc(cc1)[N+]([O-])=O; c1cc(cc
    c1[N+](=O)[O-])OP(=O)(CCCC(=O)NCC(=O)O)O
    ; OC(=O)CNC(=O)CCC[P@](O)(=O)Oc1ccc(cc1)
    [N+]([O-])=O    		 PARA-NITROPHENYLPHOSPHONOBUTANOYL-GLYCINE;
    N-PYRIDOXYL-3-[2-AMINO-ETHOXY-METHYLENE]ALANINE-5-MONOPHOSPHATE
    33110
    PGH
    CHEMBL371668
    DB03026    		 74 C2 H6 N O6 P InChI=1S/C2H6NO6P/c4-2(3-
    5)1-9-10(6,7)8/h5H,1H2,(H
    ,3,4)(H2,6,7,8);
    BAXHHWZKQZIJID-UHFFFAOYSA-N    		 O=P(O)(O)OCC(=O)NO; C(C(=O)NO)OP(=O)(O)O
    ; ONC(=O)CO[P](O)(O)=O    		 PHOSPHOGLYCOLOHYDROXAMIC ACID
    33111
    PGI
    ZINC000103553232    		 4 C16 H21 N2 O4 InChI=1S/C16H20N2O4/c19-9
    -12-13(20)14(21)15(22)16-
    17-11(8-18(12)16)7-6-10-4
    -2-1-3-5-10/h1-5,8,12-15,
    19-22H,6-7,9H2/p+1/t12-,1
    3-,14+,15-/m1/s1;
    MLRMIFDEZCZOAE-APIJFGDWSA-O    		 c1ccc(cc1)CCc2c[n+]3c([nH]2)C(C(C(C3CO)O
    )O)O; OC[CH]1[CH](O)[CH](O)[CH](O)c2[nH]
    c(CCc3ccccc3)c[n+]12; c1ccc(cc1)CCc2c[n+
    ]3c([nH]2)[C@@H]([C@H]([C@@H]([C@H]3CO)O
    )O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O
    )c2[nH]c(CCc3ccccc3)c[n+]12; OCC2[n+]1cc
    (nc1C(O)C(O)C2O)CCc3ccccc3    		 (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL
    33112
    PGJ
    CHEMBL371491
    DB08395
    ZINC000016051715    		 1 C22 H18 F N3 O5 InChI=1S/C22H18FN3O5/c1-2
    -29-13-26-20(19(21(28)31-
    26)14-7-9-15(23)10-8-14)1
    6-11-12-24-22(25-16)30-18
    -6-4-3-5-17(18)27/h3-12,2
    7H,2,13H2,1H3;
    ZSOXFJURLPCSOO-UHFFFAOYSA-N    		 CCOCN1C(=C(C(=O)O1)c2ccc(cc2)F)c3ccnc(n3
    )Oc4ccccc4O; Fc4ccc(C=1C(=O)ON(C=1c3nc(O
    c2ccccc2O)ncc3)COCC)cc4; CCOC[N@]1C(=C(C
    (=O)O1)c2ccc(cc2)F)c3ccnc(n3)Oc4ccccc4O;
    CCOCN1OC(=O)C(=C1c2ccnc(Oc3ccccc3O)n2)c
    4ccc(F)cc4    		 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE
    33113
    PGK
    ZINC000150345090    		 2 C40 H77 Br2 O10 P InChI=1S/C40H77Br2O10P/c1
    -3-5-7-9-11-12-13-14-15-1
    6-17-21-25-29-39(45)49-33
    -36(34-51-53(47,48)50-32-
    35(44)31-43)52-40(46)30-2
    6-22-18-20-24-28-38(42)37
    (41)27-23-19-10-8-6-4-2/h
    35-38,43-44H,3-34H2,1-2H3
    ,(H,47,48)/t35-,36-,37+,3
    8+/m1/s1;
    SZYLEOPJERUXOZ-RNATXAOGSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)OC[C@@H](CO)O)OC(=O)CCCCCCC[C@@H]([C@H
    ](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=O)OC
    [CH](CO[P](O)(=O)OC[CH](O)CO)OC(=O)CCCCC
    CC[CH](Br)[CH](Br)CCCCCCCC; BrC(CCCCCCCC
    )C(Br)CCCCCCCC(=O)OC(COP(=O)(OCC(O)CO)O)
    COC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC
    (=O)OC[C@H](CO[P@](O)(=O)OC[C@H](O)CO)OC
    (=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO
    )O)OC(=O)CCCCCCCC(C(CCCCCCCC)Br)Br    		 (1R)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE;
    DIBROMINATED PHOSPHATIDYLGLYCEROL;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)] (SODIUM SALT)
    33114
    PGL
    CHEMBL41873
    ZINC000008418339    		 0 C H6 N O3 P InChI=1S/CH6NO3P/c2-1-6(3
    ,4)5/h1-2H2,(H2,3,4,5);
    MGRVRXRGTBOSHW-UHFFFAOYSA-N    		 NC[P](O)(O)=O; C(N)P(=O)(O)O; O=P(O)(O)C
    N    		 (aminomethyl)phosphonic acid
    33115
    PGM
    DB03438    		 3 C22 H44 O9 P InChI=1S/C22H45O9P/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-22(26)29-17-21(25)1
    9-31-32(27,28)30-18-20(24
    )16-23/h20-21,23-25H,2-19
    H2,1H3,(H,27,28)/p-1/t20-
    ,21-/m0/s1;
    BVJSKAUUFXBDOB-SFTDATJTSA-M    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    (CO)O)O; CCCCCCCCCCCCCCCC(=O)OC[C@H](O)C
    O[P]([O-])(=O)OC[C@@H](O)CO; CCCCCCCCCCC
    CCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](C
    O)O)O; O=C(OCC(O)COP([O-])(=O)OCC(O)CO)C
    CCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C
    H](O)CO[P]([O-])(=O)OC[CH](O)CO    		 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)];
    LYSOPHOSPHATIDYLGLYCEROL
    33116
    PGN
    CHEMBL1235266    		 0 C10 H15 N5 O10 P2 InChI=1S/C10H15N5O10P2/c1
    1-10-13-8-7(9(16)14-10)12
    -3-15(8)6-1-4(25-27(20,21
    )22)5(24-6)2-23-26(17,18)
    19/h3-6H,1-2H2,(H2,17,18,
    19)(H2,20,21,22)(H3,11,13
    ,14,16)/t4-,5+,6+/m0/s1;
    HLOADLNVPDIIIB-KVQBGUIXSA-N    		 c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)OP(=O)(O)
    O)N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]
    3C[CH](O[P](O)(O)=O)[CH](CO[P](O)(O)=O)O
    3; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O)
    O)C3)COP(=O)(O)O; c1nc2c(n1[C@H]3C[C@@H]
    ([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)N=C(NC2
    =O)N; NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](
    O[P](O)(O)=O)[C@@H](CO[P](O)(O)=O)O3    		 2'-DEOXYGUANOSINE-3',5'-DIPHOSPHATE
    33117
    PGO
    DB04349
    ZINC000000895316    		 0 C3 H8 O2 InChI=1S/C3H8O2/c1-3(5)2-
    4/h3-5H,2H2,1H3/t3-/m0/s1;
    DNIAPMSPPWPWGF-VKHMYHEASA-N    		 CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H
    ](CO)O; OCC(O)C    		 S-1,2-PROPANEDIOL
    33118
    PGP
    ZINC000013507796    		 2 C10 H15 N5 O11 P2 InChI=1S/C10H15N5O11P2/c1
    1-10-13-7-4(8(17)14-10)12
    -2-15(7)9-5(16)6(26-28(21
    ,22)23)3(25-9)1-24-27(18,
    19)20/h2-3,5-6,9,16H,1H2,
    (H2,18,19,20)(H2,21,22,23
    )(H3,11,13,14,17)/t3-,5-,
    6-,9-/m1/s1;
    XYVNHPYNSPGYLI-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)OP(=O)(O
    )O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[C@@H](
    [C@@H]([C@H](O3)COP(=O)(O)O)OP(=O)(O)O)O
    )N=C(NC2=O)N; NC1=Nc2n(cnc2C(=O)N1)[CH]3
    O[CH](CO[P](O)(O)=O)[CH](O[P](O)(O)=O)[C
    H]3O; NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H]
    (CO[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H]
    3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(OP(=O)(O
    )O)C3O)COP(=O)(O)O    		 GUANOSINE-3',5'-DIPHOSPHATE
    33119
    PGQ    		 0 C3 H8 O2 InChI=1/C3H8O2/c1-3(5)2-4
    /h3-5H,2H2,1H3/t3-/m0/s1;
    DNIAPMSPPWPWGF-VKHMYHEABO    		 CC(CO)O; C[C@H](O)CO; C[CH](O)CO; C[C@@H
    ](CO)O; OCC(O)C    		 S-1,2-PROPANEDIOL
    33120
    PGR
    DB02159
    ZINC000000895318    		 0 C3 H8 O2 InChI=1S/C3H8O2/c1-3(5)2-
    4/h3-5H,2H2,1H3/t3-/m1/s1;
    DNIAPMSPPWPWGF-GSVOUGTGSA-N    		 CC(CO)O; C[C@@H](O)CO; C[CH](O)CO; C[C@H
    ](CO)O; OCC(O)C    		 R-1,2-PROPANEDIOL
    33121
    PGS
    DB03146    		 2 C10 H15 N4 O10 P2 S InChI=1S/C10H14N4O10P2S/c
    15-6-4(1-23-25(17,18)19)2
    4-10(7(6)16)14-3-13-5-8(1
    4)11-2-12-9(5)27-26(20,21
    )22/h2-4,6-7,10,15-16H,1H
    2,(H2,17,18,19)(H2,20,21,
    22)/p+1/t4-,6-,7-,10-/m1/
    s1;
    NYBPOGVUIOPXHI-KQYNXXCUSA-O    		 c1[nH+]c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)COP(=O)(O)O)O)O)SP(=O)(O)O; O
    [CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1O)n2c
    nc3c(S[P](O)(O)=O)[nH+]cnc23; c1[nH+]c(c
    2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)S
    P(=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(O)=O)
    O[C@H]([C@@H]1O)n2cnc3c(S[P](O)(O)=O)[nH
    +]cnc23; O=P(O)(O)Sc1c2ncn(c2nc[nH+]1)C3
    OC(C(O)C3O)COP(=O)(O)O    		 2-DEAZO-6-THIOPHOSPHATE GUANOSINE-5'-MONOPHOSPHATE
    33122
    PGT
    ZINC000058638415    		 45 C40 H79 O10 P InChI=1S/C40H79O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h37-38,41-
    42H,3-36H2,1-2H3,(H,45,46
    )/t37-,38+/m1/s1;
    KBPVYRBBONZJHF-AMAPPZPBSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC
    CCCCCCC)COP(=O)(O)OCC(CO)O; CCCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P@](O)(=O)OC[C@H](O)CO; CCCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P@@](=O)(O)OC[C@@H](CO)O; CCCCCCCCCC
    CCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC
    )CO[P](O)(=O)OC[CH](O)CO; O=C(OCC(OC(=O)
    CCCCCCCCCCCCCCCCC)COP(=O)(OCC(O)CO)O)CCC
    CCCCCCCCCCCC    		 (1S)-2-{[{[(2R)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE;
    PHOSPHATIDYLGLYCEROL;
    1-PALMITOYL-2-OLEOYL-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)](SODIUM SALT)
    33123
    PGU
    ZINC000012501127    		 36 C13 H19 N2 O9 P InChI=1S/C13H19N2O9P/c1-7
    -12(18)9(8(4-14-7)6-24-25
    (21,22)23)5-15-10(13(19)2
    0)2-3-11(16)17/h4,10,15,1
    8H,2-3,5-6H2,1H3,(H,16,17
    )(H,19,20)(H2,21,22,23)/t
    10-/m0/s1;
    JMRKOGDJNHPMHS-JTQLQIEISA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCC(=O)O)C(
    =O)O)O; Cc1ncc(CO[P](O)(O)=O)c(CN[CH](CC
    C(O)=O)C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)
    c(CN[C@@H](CCC(O)=O)C(O)=O)c1O; Cc1c(c(c
    (cn1)COP(=O)(O)O)CN[C@@H](CCC(=O)O)C(=O)
    O)O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O
    )CCC(=O)O    		 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-glutamic acid
    33124
    PGV
    ZINC000032838297    		 25 C40 H77 O10 P InChI=1S/C40H77O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h13,15,37-
    38,41-42H,3-12,14,16-36H2
    ,1-2H3,(H,45,46)/b15-13-/
    t37-,38+/m0/s1;
    ADYWCMPUNIVOEA-GPJPVTGXSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    C[CH](O)CO)OC(=O)CCCCCCCCCC=CCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O)
    OC(=O)CCCCCCCCCC=CCCCCCC; O=C(OC(COP(=O)
    (OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)CCCCC
    CCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[
    C@H](CO[P@](=O)(O)OC[C@H](CO)O)OC(=O)CCC
    CCCCCC\C=C/CCCCCC; CCCCCCCCCCCCCCCC(=O)O
    C[C@H](CO[P@@](O)(=O)OC[C@@H](O)CO)OC(=O
    )CCCCCCCCC\C=C/CCCCCC    		 (1R)-2-{[{[(2S)-2,3-DIHYDROXYPROPYL]OXY}(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (11E)-OCTADEC-11-ENOATE;
    PHOSPHATIDYLGLYCEROL;
    2-VACCENOYL-1-PALMITOYL-SN-GLYCEROL-3-PHOSPHOGLYCEROL
    33125
    PGW
    ZINC000008552309    		 681 C40 H77 O10 P InChI=1S/C40H77O10P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-40(44)50
    -38(36-49-51(45,46)48-34-
    37(42)33-41)35-47-39(43)3
    1-29-27-25-23-21-19-16-14
    -12-10-8-6-4-2/h17-18,37-
    38,41-42H,3-16,19-36H2,1-
    2H3,(H,45,46)/b18-17-/t37
    -,38+/m0/s1;
    PAZGBAOHGQRCBP-HGWHEPCSSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    C[CH](O)CO)OC(=O)CCCCCCCC=CCCCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O
    C[C@H](CO)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(CO)O
    )OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCCCCCCC
    CCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@@H](O)C
    O)OC(=O)CCCCCCC\C=C/CCCCCCCC; O=C(OC(COP
    (=O)(OCC(O)CO)O)COC(=O)CCCCCCCCCCCCCCC)C
    CCCCCC\C=C/CCCCCCCC    		 (1R)-2-{[(S)-{[(2S)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9Z)-octadec-9-enoate;
    1-Palmitoyl-2-Oleoyl-sn-Glycero-3-[Phospho-(1-glycerol)];
    PHOSPHATIDYLGLYCEROL
    33126
    PGX
    DB03866
    ZINC000008220097    		 4 C20 H32 O6 InChI=1S/C20H32O6/c1-2-3-
    6-9-15(24-23)12-13-17-16(
    18-14-19(17)26-25-18)10-7
    -4-5-8-11-20(21)22/h4,7,1
    2-13,15-19,23H,2-3,5-6,8-
    11,14H2,1H3,(H,21,22)/b7-
    4-,13-12+/t15-,16+,17+,18
    -,19+/m0/s1;
    SGUKUZOVHSFKPH-YNNPMVKQSA-N    		 CCCCC[CH](OO)C=C[CH]1[CH]2C[CH](OO2)[CH]
    1CC=CCCCC(O)=O; CCCCC[C@H](OO)/C=C/[C@H]
    1[C@H]2C[C@H](OO2)[C@@H]1C\C=C/CCCC(O)=O
    ; O=C(O)CCC/C=C\CC2C1OOC(C1)C2/C=C/C(OO)
    CCCCC; CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)
    OO2)OO; CCCCC[C@@H](\C=C\[C@H]1[C@H]2C[C
    @@H]([C@@H]1C\C=C/CCCC(=O)O)OO2)OO    		 7-[6-(3-HYDROPEROXY-OCT-1-ENYL)-2,3-DIOXA-BICYCLO[2.2.1]HEPT-5-YL]-HEPT-5-ENOIC ACID;
    PROSTAGLANDIN G2
    33127
    PGY    		 0 C8 H9 N O2 InChI=1/C8H9NO2/c9-7(8(10
    )11)6-4-2-1-3-5-6/h1-5,7H
    ,9H2,(H,10,11)/t7-/m1/s1/
    f/h10H;
    ZGUNAGUHMKGQNY-WHOHDODWDK    		 O=C(O)C(N)c1ccccc1; c1ccc(cc1)C(C(=O)O)N
    ; c1ccc(cc1)[C@H](C(=O)O)N; N[CH](C(O)=O
    )c1ccccc1; N[C@@H](C(O)=O)c1ccccc1    		 PHENYLGLYCINE
    33128
    PGZ
    CHEMBL1162112
    ZINC000014976476    		 2 C22 H28 N O8 P S InChI=1S/C22H28NO8PS/c1-1
    4-8-10-16(11-9-14)21(26)2
    3-18-19(25)17(12-24)30-22
    (33-2)20(18)31-32(27,28)2
    9-13-15-6-4-3-5-7-15/h3-1
    1,17-20,22,24-25H,12-13H2
    ,1-2H3,(H,23,26)(H,27,28)
    /t17-,18+,19+,20-,22+/m1/
    s1;
    IDAWZVIHHBVHNS-QWPXSNKBSA-N    		 Cc1ccc(cc1)C(=O)N[C@H]2[C@H]([C@H](O[C@H
    ]([C@@H]2OP(=O)(O)OCc3ccccc3)SC)CO)O; CS
    [C@@H]1O[C@H](CO)[C@H](O)[C@H](NC(=O)c2c
    cc(C)cc2)[C@H]1O[P](O)(=O)OCc3ccccc3; Cc
    1ccc(cc1)C(=O)NC2C(C(OC(C2OP(=O)(O)OCc3c
    cccc3)SC)CO)O; CS[CH]1O[CH](CO)[CH](O)[C
    H](NC(=O)c2ccc(C)cc2)[CH]1O[P](O)(=O)OCc
    3ccccc3; O=P(OC2C(NC(=O)c1ccc(cc1)C)C(O)
    C(OC2SC)CO)(OCc3ccccc3)O    		 METHYL 2-O-[(S)-(BENZYLOXY)(HYDROXY)PHOSPHORYL]-3-DEOXY-3-{[(4-METHYLPHENYL)CARBONYL]AMINO}-1-THIO-BETA-D-GALACTOPYRANOSIDE
    33129
    PH0
    ZINC000013807080    		 1 C27 H31 N2 O5 P InChI=1S/C27H31N2O5P/c28-
    25(18-22-14-8-3-9-15-22)3
    5(33,34)19-23(16-20-10-4-
    1-5-11-20)26(30)29-24(27(
    31)32)17-21-12-6-2-7-13-2
    1/h1-15,23-25H,16-19,28H2
    ,(H,29,30)(H,31,32)(H,33,
    34)/t23-,24+,25-/m1/s1;
    XNPYGVCNHOXQRJ-DSNGMDLFSA-N    		 N[CH](Cc1ccccc1)[P](O)(=O)C[CH](Cc2ccccc
    2)C(=O)N[CH](Cc3ccccc3)C(O)=O; c1ccc(cc1
    )C[C@H](C[P@](=O)([C@H](Cc2ccccc2)N)O)C(
    =O)N[C@@H](Cc3ccccc3)C(=O)O; N[C@@H](Cc1
    ccccc1)[P@@](O)(=O)C[C@@H](Cc2ccccc2)C(=
    O)N[C@@H](Cc3ccccc3)C(O)=O; O=C(O)C(NC(=
    O)C(Cc1ccccc1)CP(=O)(O)C(N)Cc2ccccc2)Cc3
    ccccc3; c1ccc(cc1)CC(CP(=O)(C(Cc2ccccc2)
    N)O)C(=O)NC(Cc3ccccc3)C(=O)O    		 N-{(2S)-3-[(R)-[(1R)-1-amino-2-phenylethyl](hydroxy)phosphoryl]-2-benzylpropanoyl}-L-phenylalanine
    33130
    PH1
    ZINC000024791085    		 6 C43 H88 O2 InChI=1S/C43H88O2/c1-35(2
    )18-12-20-37(5)22-14-24-3
    9(7)26-16-28-41(9)30-32-4
    4-34-43(11)45-33-31-42(10
    )29-17-27-40(8)25-15-23-3
    8(6)21-13-19-36(3)4/h35-4
    3H,12-34H2,1-11H3/t37-,38
    -,39-,40-,41-,42-,43+/m0/
    s1;
    ICKFQWWHLUUVMF-FYYCEQFTSA-N    		 O(CCC(C)CCCC(C)CCCC(C)CCCC(C)C)CC(OCCC(C
    CCC(CCCC(C)CCCC(C)C)C)C)C; CC(C)CCC[CH](
    C)CCC[CH](C)CCC[CH](C)CCOC[CH](C)OCC[CH]
    (C)CCC[CH](C)CCC[CH](C)CCCC(C)C; CC(C)CC
    C[C@H](C)CCC[C@H](C)CCC[C@H](C)CCOC[C@@H
    ](C)OCC[C@@H](C)CCC[C@@H](C)CCC[C@@H](C)
    CCCC(C)C; CC(C)CCCC(C)CCCC(C)CCCC(C)CCOC
    C(C)OCCC(C)CCCC(C)CCCC(C)CCCC(C)C    		 1,2-[DI-2,6,10,14-TETRAMETHYL-HEXADECAN-16-OXY]-PROPANE;
    PHYTANYL MOIETY
    33131
    PH2
    CHEMBL1233322
    DB02119    		 63 C7 H9 N5 O2 InChI=1S/C7H9N5O2/c8-7-11
    -5-4(6(14)12-7)10-3(2-13)
    1-9-5/h13H,1-2H2,(H4,8,9,
    11,12,14);
    CQQNNQTXUGLUEV-UHFFFAOYSA-N    		 NC1=NC2=C(N=C(CO)CN2)C(=O)N1; O=C1NC(=NC
    =2NCC(=NC1=2)CO)N; C1C(=NC2=C(N1)N=C(NC2
    =O)N)CO    		 2-AMINO-6-HYDROXYMETHYL-7,8-DIHYDRO-3H-PTERIDIN-4-ONE
    33132
    PH3
    CHEMBL323202
    DB04559    		 6 C7 H8 Cl N3 O InChI=1S/C7H8ClN3O/c8-5-1
    -3-6(4-2-5)10-7(9)11-12/h
    1-4,12H,(H3,9,10,11);
    JYBXKTLYOMPMQY-UHFFFAOYSA-N    		 ONC(=N)Nc1ccc(Cl)cc1; Clc1ccc(NC(=[N@H])
    NO)cc1; c1cc(ccc1NC(=N)NO)Cl    		 N-(CHLOROPHENYL)-N'-HYDROXYGUANIDINE
    33133
    PH4
    CHEMBL1235276
    ZINC000058638417    		 2 C5 H13 N O10 P2 InChI=1S/C5H13NO10P2/c7-5
    (4-16-18(12,13)14)6(8)2-1
    -3-15-17(9,10)11/h8H,1-4H
    2,(H2,9,10,11)(H2,12,13,1
    4);
    IISKWLQYGVRJHI-UHFFFAOYSA-N    		 C(CN(C(=O)COP(=O)(O)O)O)COP(=O)(O)O; ON(
    CCCO[P](O)(O)=O)C(=O)CO[P](O)(O)=O; O=P(
    O)(OCCCN(O)C(=O)COP(=O)(O)O)O    		 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate
    33134
    PH5
    ZINC000016051842    		 3 C19 H27 N O9 InChI=1S/C19H27NO9/c1-2-1
    4(24)20-15-12(22)8-19(18(
    26)27,28-10-11-6-4-3-5-7-
    11)29-17(15)16(25)13(23)9
    -21/h3-7,12-13,15-17,21-2
    3,25H,2,8-10H2,1H3,(H,20,
    24)(H,26,27)/t12-,13+,15+
    ,16+,17+,19+/m0/s1;
    XDURJXFZCXMSHL-YZKZVDITSA-N    		 CCC(=O)N[C@@H]1[C@H](C[C@@](O[C@H]1[C@@H
    ]([C@@H](CO)O)O)(C(=O)O)OCc2ccccc2)O; CC
    C(=O)N[C@@H]1[C@@H](O)C[C@@](OCc2ccccc2)
    (O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O; CCC(=
    O)N[CH]1[CH](O)C[C](OCc2ccccc2)(O[CH]1[C
    H](O)[CH](O)CO)C(O)=O; CCC(=O)NC1C(CC(OC
    1C(C(CO)O)O)(C(=O)O)OCc2ccccc2)O; O=C(O)
    C2(OCc1ccccc1)OC(C(O)C(O)CO)C(NC(=O)CC)C
    (O)C2    		 benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid;
    2-PHENYL-PROP5AC;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-alpha-D-galacto-non-2-ulosidonic acid;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-D-galacto-non-2-ulosidonic acid;
    benzyl 3,5-dideoxy-5-(propanoylamino)-D-glycero-galacto-non-2-ulosidonic acid
    33135
    PH6
    CHEMBL4091905
    ZINC000021984673    		 0 C11 H19 N O2 InChI=1S/C11H19NO2/c13-11
    (14)10-6-9(7-12-10)8-4-2-
    1-3-5-8/h8-10,12H,1-7H2,(
    H,13,14)/t9-,10+/m1/s1;
    XRZWVSXEDRYQGC-ZJUUUORDSA-N    		 OC(=O)[CH]1C[CH](CN1)C2CCCCC2; C1CCC(CC1
    )[C@@H]2C[C@H](NC2)C(=O)O; C1CCC(CC1)C2C
    C(NC2)C(=O)O; OC(=O)[C@@H]1C[C@H](CN1)C2
    CCCCC2; O=C(O)C2NCC(C1CCCCC1)C2    		 (4S)-4-cyclohexyl-L-proline
    33136
    PH7
    CHEMBL188442
    DB01720    		 1 C22 H16 Br N O4 InChI=1S/C22H16BrNO4/c23-
    18-8-4-5-9-20(18)28-17-12
    -10-15(11-13-17)14-19(22(
    26)27)24-21(25)16-6-2-1-3
    -7-16/h1-14H,(H,24,25)(H,
    26,27)/b19-14-;
    WLPJLQNKCJWAFL-RGEXLXHISA-N    		 c1ccc(cc1)C(=O)N/C(=C\c2ccc(cc2)Oc3ccccc
    3Br)/C(=O)O; Brc3ccccc3Oc2ccc(/C=C(/C(=O
    )O)NC(=O)c1ccccc1)cc2; c1ccc(cc1)C(=O)NC
    (=Cc2ccc(cc2)Oc3ccccc3Br)C(=O)O; OC(=O)C
    (/NC(=O)c1ccccc1)=C/c2ccc(Oc3ccccc3Br)cc
    2; OC(=O)C(NC(=O)c1ccccc1)=Cc2ccc(Oc3ccc
    cc3Br)cc2    		 (2Z)-2-(BENZOYLAMINO)-3-[4-(2-BROMOPHENOXY)PHENYL]-2-PROPENOIC ACID
    33137
    PH8
    CHEMBL4071657
    ZINC000001570983    		 0 C11 H15 N O2 InChI=1S/C11H15NO2/c12-10
    (11(13)14)8-4-7-9-5-2-1-3
    -6-9/h1-3,5-6,10H,4,7-8,1
    2H2,(H,13,14)/t10-/m0/s1;
    XOQZTHUXZWQXOK-JTQLQIEISA-N    		 c1ccc(cc1)CCC[C@@H](C(=O)O)N; c1ccc(cc1)
    CCCC(C(=O)O)N; N[CH](CCCc1ccccc1)C(O)=O;
    N[C@@H](CCCc1ccccc1)C(O)=O; C(O)(=O)C(N
    )CCCc1ccccc1    		 5-phenyl-L-norvaline
    33138
    PH9    		 1 C26 H28 Br N O4 InChI=1S/C26H28BrNO4/c27-
    21-3-1-2-4-23(21)32-20-7-
    5-16(6-8-20)12-22(24(29)3
    0)28-25(31)26-13-17-9-18(
    14-26)11-19(10-17)15-26/h
    1-8,17-19,22H,9-15H2,(H,2
    8,31)(H,29,30)/t17-,18+,1
    9-,22?,26+;
    SJHUUZUNPUEALW-ZDXWGTOVSA-N    		 Brc5ccccc5Oc1ccc(cc1)CC(C(=O)O)NC(=O)C24
    CC3CC(CC(C2)C3)C4; OC(=O)[C@@H](Cc1ccc(O
    c2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5)C3)C
    4; c1ccc(c(c1)Oc2ccc(cc2)CC(C(=O)O)NC(=O
    )C34CC5CC(C3)CC(C5)C4)Br; OC(=O)[CH](Cc1
    ccc(Oc2ccccc2Br)cc1)NC(=O)C34CC5CC(CC(C5
    )C3)C4    		 (2Z)-2-[(1-ADAMANTYLCARBONYL)AMINO]-3-[4-(2-BROMOPHENOXY)PHENYL]PROP-2-ENOIC ACID
    33139
    PHA    		 1 C9 H11 N O InChI=1S/C9H11NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,7
    ,9H,6,10H2/t9-/m0/s1;
    CQIUZHAQYHXKRY-VIFPVBQESA-N    		 c1ccc(cc1)CC(C=O)N; c1ccc(cc1)C[C@@H](C=
    O)N; O=CC(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    =O; N[C@@H](Cc1ccccc1)C=O    		 PHENYLALANINAL
    33140
    PHB
    CHEMBL441343
    DB04242
    ZINC000000332752    		 0 C7 H6 O3 InChI=1S/C7H6O3/c8-6-3-1-
    5(2-4-6)7(9)10/h1-4,8H,(H
    ,9,10);
    FJKROLUGYXJWQN-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)cc1; O=C(O)c1ccc(O)cc1; c1
    cc(ccc1C(=O)O)O    		 P-HYDROXYBENZOIC ACID
    33141
    PHC    		 0 C10 H13 N O InChI=1S/C10H13NO/c1-9(11
    (2)8-12)10-6-4-3-5-7-10/h
    3-9H,1-2H3/t9-/m0/s1;
    YYPINKULTUCCJA-VIFPVBQESA-N    		 C[C@@H](c1ccccc1)N(C)C=O; O=CN(C(c1ccccc
    1)C)C; C[C@H](N(C)C=O)c1ccccc1; C[CH](N(
    C)C=O)c1ccccc1; CC(c1ccccc1)N(C)C=O    		 N-METHYL-N-(METHYLBENZYL)FORMAMIDE
    33142
    PHD
    DB01857    		 0 C4 H8 N O7 P InChI=1S/C4H8NO7P/c5-2(4(
    7)8)1-3(6)12-13(9,10)11/h
    2H,1,5H2,(H,7,8)(H2,9,10,
    11)/t2-/m0/s1;
    IXZNKTPIYKDIGG-REOHCLBHSA-N    		 C(C(C(=O)O)N)C(=O)OP(=O)(O)O; N[CH](CC(=
    O)O[P](O)(O)=O)C(O)=O; O=C(OP(=O)(O)O)CC
    (C(=O)O)N; N[C@@H](CC(=O)O[P](O)(O)=O)C(
    O)=O; C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O    		 ASPARTYL PHOSPHATE
    33143
    PHE
    CHEMBL301523
    DB00120
    ZINC000000105196    		 445 C9 H11 N O2 InChI=1S/C9H11NO2/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8H,6,10H2,(H,11,12)/t8
    -/m0/s1;
    COLNVLDHVKWLRT-QMMMGPOBSA-N    		 N[CH](Cc1ccccc1)C(O)=O; N[C@@H](Cc1ccccc
    1)C(O)=O; c1ccc(cc1)CC(C(=O)O)N; c1ccc(c
    c1)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc1ccccc1    		 PHENYLALANINE
    33144
    PHF    		 3 H11 Hf5 O23 P InChI=1S/5Hf.H3O4P.11H2O.
    8O/c;;;;;1-5(2,3)4;;;;;;;
    ;;;;;;;;;;;;/h;;;;;(H3,1,
    2,3,4);11*1H2;;;;;;;;/q2*
    +2;2*+3;+4;;;;;;;;;;;;;;;
    ;;;;;/p-14;
    YWHPABBSPOVOJT-UHFFFAOYSA-A    		 O[Hf]123O[P]4(=O)O[Hf]5(O)(O)(O)(O1)O[Hf
    ]67(O)(O4)(O[Hf]8(O)(O)(O)O[Hf](O)(O)(O)
    (O2)(O6)[O]378)O5; O[Hf]12(O[Hf]34(O15[H
    f]67(O3)(OP8(=O)O[Hf]9(O6)(O7[Hf]5(O8)(O
    2)(O9)(O4)O)(O)(O)O)O)(O)(O)O)(O)O; O[Hf
    ]12(O[Hf]34(O15[Hf]67(O3)(O[P@@]8(=O)O[H
    f]9(O6)(O7[Hf]5(O8)(O2)(O9)(O4)O)(O)(O)O
    )O)(O)(O)O)(O)O; O[Hf]123O[P@@]4(=O)O[Hf
    ]5(O)(O)(O)(O1)O[Hf]67(O)(O4)(O[Hf]8(O)(
    O)(O)O[Hf](O)(O)(O)(O2)(O6)[O]378)O5    		 HF-OXO-PHOSPHATE CLUSTER PHF
    33145
    PHG    		 1 C6 H5 Hg InChI=1S/C6H5.Hg/c1-2-4-6
    -5-3-1;/h1-5H;;
    DCNLOVYDMCVNRZ-UHFFFAOYSA-N    		 [Hg]c1ccccc1; c1ccc(cc1)[Hg] PHENYLMERCURY
    33146
    PHH
    CHEMBL357452
    DB03302
    ZINC000002012697    		 1 C8 H2 Cl4 O2 InChI=1S/C8H2Cl4O2/c9-4-2
    -1-14-8(13)3(2)5(10)7(12)
    6(4)11/h1H2;
    NMWKWBPNKPGATC-UHFFFAOYSA-N    		 O=C1OCc2c1c(Cl)c(Cl)c(Cl)c2Cl; Clc1c(Cl)
    c(Cl)c2C(=O)OCc2c1Cl; C1c2c(c(c(c(c2Cl)C
    l)Cl)Cl)C(=O)O1    		 4,5,6,7-TETRACHLORO-PHTHALIDE;
    4,5,6,7-TETRACHLORO-3H-ISOBENZOFURAN-1-ONE
    33147
    PHI
    DB03660
    ZINC000000391104    		 5 C9 H10 I N O2 InChI=1S/C9H10INO2/c10-7-
    3-1-6(2-4-7)5-8(11)9(12)1
    3/h1-4,8H,5,11H2,(H,12,13
    )/t8-/m0/s1;
    PZNQZSRPDOEBMS-QMMMGPOBSA-N    		 N[CH](Cc1ccc(I)cc1)C(O)=O; N[C@@H](Cc1cc
    c(I)cc1)C(O)=O; c1cc(ccc1CC(C(=O)O)N)I;
    c1cc(ccc1C[C@@H](C(=O)O)N)I; Ic1ccc(cc1)
    CC(C(=O)O)N    		 IODO-PHENYLALANINE
    33148
    PHJ
    DB04157    		 2 C7 H8 N2 O2 InChI=1S/C7H8N2O2/c8-11-7
    (10)9-6-4-2-1-3-5-6/h1-5H
    ,8H2,(H,9,10);
    YQHOHPOCZUAUKP-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)ON; O=C(ON)Nc1ccccc1; NO
    C(=O)Nc1ccccc1    		 N-[(AMINOOXY)CARBONYL]-N-PHENYLAMINE;
    N-[(AMINOOXY)CARBONYL]ANILINE
    33149
    PHK
    DB04415
    ZINC000012504342    		 2 C10 H14 Cl N O InChI=1S/C10H14ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9-10,13H,6-7,12H2
    /t9-,10-/m0/s1;
    YXWOYBQZWSLSMU-UWVGGRQHSA-N    		 c1ccc(cc1)C[C@@H]([C@H](CCl)O)N; N[CH](C
    c1ccccc1)[CH](O)CCl; N[C@@H](Cc1ccccc1)[
    C@@H](O)CCl; ClCC(O)C(N)Cc1ccccc1; c1ccc
    (cc1)CC(C(CCl)O)N    		 (2R,3S)-3-AMINO-1-CHLORO-4-PHENYL-BUTAN-2-OL
    33150
    PHL
    CHEMBL1235287
    DB04484
    ZINC000006731693    		 0 C9 H13 N O InChI=1S/C9H13NO/c10-9(7-
    11)6-8-4-2-1-3-5-8/h1-5,9
    ,11H,6-7,10H2/t9-/m0/s1;
    STVVMTBJNDTZBF-VIFPVBQESA-N    		 N[CH](CO)Cc1ccccc1; c1ccc(cc1)CC(CO)N; N
    [C@H](CO)Cc1ccccc1; OCC(N)Cc1ccccc1; c1c
    cc(cc1)C[C@@H](CO)N    		 L-PHENYLALANINOL;
    bound form of Phenylalaninal
    33151
    PHM    		 0 C10 H12 Cl N O InChI=1S/C10H12ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9H,6-7,12H2/t9-/m
    0/s1;
    CNNSBPMDYXZFTQ-VIFPVBQESA-N    		 ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc(
    cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc
    1)C(=O)CCl    		 (3S)-3-amino-1-chloro-4-phenylbutan-2-one
    33152
    PHN
    CHEMBL415879
    DB02365
    ZINC000000164363    		 29 C12 H8 N2 InChI=1S/C12H8N2/c1-3-9-5
    -6-10-4-2-8-14-12(10)11(9
    )13-7-1/h1-8H;
    DGEZNRSVGBDHLK-UHFFFAOYSA-N    		 c1cc2ccc3cccnc3c2nc1; c1cnc2c(c1)ccc3ccc
    nc23; n1c3c(ccc1)ccc2cccnc23    		 1,10-PHENANTHROLINE
    33153
    PHO
    CHEMBL3349047    		 1265 C55 H74 N4 O5 InChI=1S/C55H74N4O5/c1-13
    -39-35(8)42-28-44-37(10)4
    1(24-25-48(60)64-27-26-34
    (7)23-17-22-33(6)21-16-20
    -32(5)19-15-18-31(3)4)52(
    58-44)50-51(55(62)63-12)5
    4(61)49-38(11)45(59-53(49
    )50)30-47-40(14-2)36(9)43
    (57-47)29-46(39)56-42/h13
    ,26,28-33,37,41,51,56,59H
    ,1,14-25,27H2,2-12H3/b34-
    26+,42-28-,43-29-,44-28-,
    45-30-,46-29-,47-30-,52-5
    0-/t32-,33-,37+,41+,51-/m
    1/s1;
    CQIKWXUXPNUNDV-RCBXBCQGSA-N    		 CCC1=C(c2cc3c(c(c([nH]3)cc4nc(c5c6c(c(c(
    [nH]6)cc1n2)C)C(=O)C5C(=O)OC)C(C4C)CCC(=
    O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C=C)C
    ; CCc1c(C)c2cc3[nH]c(cc4nc([C@@H](CCC(=O
    )OC\C=C(/C)CCC[C@H](C)CCC[C@H](C)CCCC(C)
    C)[C@@H]4C)c5[C@@H](C(=O)OC)C(=O)c6c(C)c
    ([nH]c56)cc1n2)c(C)c3C=C; O=C(OC\C=C(/C)
    CCCC(C)CCCC(C)CCCC(C)C)CCC6c4nc(cc1c(c(\
    C=C)c(n1)cc5nc(cc3c(c2C(=O)C(c4c2n3)C(=O
    )OC)C)C(=C5C)CC)C)C6C; CCC1=C(/c/2c/c3c(
    c(c([nH]3)/cc/4\nc(c5c6c(c(/c(/[nH]6)c/c
    1n2)C)C(=O)[C@@H]5C(=O)OC)[C@H]([C@@H]4C
    )CCC(=O)OC/C=C(\C)/CCC[C@H](C)CCC[C@H](C
    )CCCC(C)C)C)C=C)C; CCc1c(C)c2cc3[nH]c(cc
    4nc([CH](CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH
    ](C)CCCC(C)C)[CH]4C)c5[CH](C(=O)OC)C(=O)
    c6c(C)c([nH]c56)cc1n2)c(C)c3C=C    		 PHEOPHYTIN A
    33154
    PHP
    ZINC000098209299    		 2 C42 H51 N4 O8 P InChI=1S/C42H51N4O8P/c1-2
    9(2)37(45-41(49)53-27-33-
    21-13-7-14-22-33)39(47)43
    -35(25-31-17-9-5-10-18-31
    )55(51,52)36(26-32-19-11-
    6-12-20-32)44-40(48)38(30
    (3)4)46-42(50)54-28-34-23
    -15-8-16-24-34/h5-24,29-3
    0,35-38H,25-28H2,1-4H3,(H
    ,43,47)(H,44,48)(H,45,49)
    (H,46,50)(H,51,52)/t35-,3
    6-,37+,38+/m1/s1;
    NKLAQVJZOVABOV-RNATXAOGSA-N    		 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]
    (Cc2ccccc2)[P@@](O)(=O)[C@H](Cc3ccccc3)N
    C(=O)[C@@H](NC(=O)OCc4ccccc4)C(C)C; CC(C
    )C(C(=O)NC(Cc1ccccc1)P(=O)(C(Cc2ccccc2)N
    C(=O)C(C(C)C)NC(=O)OCc3ccccc3)O)NC(=O)OC
    c4ccccc4; CC(C)[C@@H](C(=O)N[C@@H](Cc1cc
    ccc1)P(=O)([C@H](Cc2ccccc2)NC(=O)[C@H](C
    (C)C)NC(=O)OCc3ccccc3)O)NC(=O)OCc4ccccc4
    ; O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P(
    =O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)C
    c4ccccc4)C(C)C; CC(C)[CH](NC(=O)OCc1cccc
    c1)C(=O)N[CH](Cc2ccccc2)[P](O)(=O)[CH](C
    c3ccccc3)NC(=O)[CH](NC(=O)OCc4ccccc4)C(C
    )C    		 (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID
    33155
    PHQ
    CHEMBL1581748
    ZINC000000388130    		 0 C8 H7 Cl O2 InChI=1S/C8H7ClO2/c9-8(10
    )11-6-7-4-2-1-3-5-7/h1-5H
    ,6H2;
    HSDAJNMJOMSNEV-UHFFFAOYSA-N    		 c1ccc(cc1)COC(=O)Cl; ClC(=O)OCc1ccccc1 benzyl chlorocarbonate
    33156
    PHR
    ZINC000058638660    		 20 C16 H27 N4 O11 P InChI=1S/C16H27N4O11P/c21
    -8-10(23)12(24)9(22)7-20-
    13-11(14(25)18-15(26)17-1
    3)19(16(20)27)5-3-1-2-4-6
    -31-32(28,29)30/h9-10,12,
    21-24H,1-8H2,(H2,28,29,30
    )(H2,17,18,25,26)/t9-,10-
    ,12+/m1/s1;
    SLRQIPDGMUYATQ-FOGDFJRCSA-N    		 C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(C
    1=O)C[C@H]([C@@H]([C@@H](CO)O)O)O; OC[C@
    @H](O)[C@@H](O)[C@H](O)CN1C(=O)N(CCCCCCO
    [P](O)(O)=O)C2=C1NC(=O)NC2=O; OC[CH](O)[
    CH](O)[CH](O)CN1C(=O)N(CCCCCCO[P](O)(O)=
    O)C2=C1NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)N(
    C(=O)N2CCCCCCOP(=O)(O)O)CC(O)C(O)C(O)CO;
    C(CCCOP(=O)(O)O)CCN1C2=C(NC(=O)NC2=O)N(
    C1=O)CC(C(C(CO)O)O)O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL ) HEXANE 1-PHOSPHATE
    33157
    PHS
    CHEMBL1235291
    ZINC000245204350    		 17 H3 O3 P InChI=1S/H3O3P/c1-4(2)3/h
    4H,(H2,1,2,3);
    ABLZXFCXXLZCGV-UHFFFAOYSA-N    		 OP(=O)O; O=P(O)O; O[PH](O)=O PHOSPHONIC ACID
    33158
    PHT
    CHEMBL1045
    DB02746
    ZINC000000090750    		 29 C8 H6 O4 InChI=1S/C8H6O4/c9-7(10)5
    -3-1-2-4-6(5)8(11)12/h1-4
    H,(H,9,10)(H,11,12);
    XNGIFLGASWRNHJ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1C(O)=O; O=C(O)c1ccccc1C(=O
    )O; c1ccc(c(c1)C(=O)O)C(=O)O    		 PHTHALIC ACID
    33159
    PHU
    CHEMBL168445
    ZINC000000391870    		 26 C7 H8 N2 O InChI=1S/C7H8N2O/c8-7(10)
    9-6-4-2-1-3-5-6/h1-5H,(H3
    ,8,9,10);
    LUBJCRLGQSPQNN-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)N; NC(=O)Nc1ccccc1; O=C(
    Nc1ccccc1)N    		 1-phenylurea;
    Phenylurea
    33160
    PHV
    ZINC000098209300    		 1 C33 H40 N3 O8 P InChI=1S/C33H40N3O8P/c1-4
    3-22-12-20-28(45(40,41)42
    )34-31(37)27-19-11-21-36(
    27)32(38)30(35-33(39)44-2
    3-24-13-5-2-6-14-24)29(25
    -15-7-3-8-16-25)26-17-9-4
    -10-18-26/h2-10,13-18,27-
    30H,11-12,19-23H2,1H3,(H,
    34,37)(H,35,39)(H2,40,41,
    42)/t27-,28-,30+/m0/s1;
    RQOYKJRZXWFGEE-TWLDFKIOSA-N    		 COCCCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3
    ccccc3)NC(=O)OCc4ccccc4)P(=O)(O)O; COCCC
    [C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(c
    2ccccc2)c3ccccc3)NC(=O)OCc4ccccc4)P(=O)(
    O)O; O=C(NC(CCCOC)P(=O)(O)O)C4N(C(=O)C(N
    C(=O)OCc1ccccc1)C(c2ccccc2)c3ccccc3)CCC4
    ; COCCC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC
    (=O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O
    )(O)=O; COCCC[C@@H](NC(=O)[C@@H]1CCCN1C(
    =O)[C@H](NC(=O)OCc2ccccc2)C(c3ccccc3)c4c
    cccc4)[P](O)(O)=O    		 N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-[(1S)-4-methoxy-1-phosphonobutyl]-L-prolinamide
    33161
    PHW
    ZINC000098209301    		 1 C45 H48 N3 O9 P InChI=1S/C45H48N3O9P/c1-5
    4-32-18-30-40(58(52,53,56
    -37-25-13-5-14-26-37)57-3
    8-27-15-6-16-28-38)46-43(
    49)39-29-17-31-48(39)44(5
    0)42(47-45(51)55-33-34-19
    -7-2-8-20-34)41(35-21-9-3
    -10-22-35)36-23-11-4-12-2
    4-36/h2-16,18-28,32,39-42
    ,52-53H,17,29-31,33H2,1H3
    ,(H,46,49)(H,47,51)/b32-1
    8+/t39-,40-,42+/m0/s1;
    RYHYSOICLVLDDN-JBHUJMBHSA-N    		 COC=CC[CH](NC(=O)[CH]1CCCN1C(=O)[CH](NC(
    =O)OCc2ccccc2)C(c3ccccc3)c4ccccc4)[P](O)
    (O)(Oc5ccccc5)Oc6ccccc6; CO\C=C\C[C@@H](
    NC(=O)[C@@H]1CCCN1C(=O)[C@H](NC(=O)OCc2c
    cccc2)C(c3ccccc3)c4ccccc4)[P](O)(O)(Oc5c
    cccc5)Oc6ccccc6; O=C(NC(C\\C=C\\OC)P(Oc1
    ccccc1)(Oc2ccccc2)(O)O)C6N(C(=O)C(NC(=O)
    OCc3ccccc3)C(c4ccccc4)c5ccccc5)CCC6; COC
    =CCC(NC(=O)C1CCCN1C(=O)C(C(c2ccccc2)c3cc
    ccc3)NC(=O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)
    Oc6ccccc6; CO/C=C/C[C@@H](NC(=O)[C@@H]1C
    CCN1C(=O)[C@@H](C(c2ccccc2)c3ccccc3)NC(=
    O)OCc4ccccc4)P(O)(O)(Oc5ccccc5)Oc6ccccc6    		 N-[(benzyloxy)carbonyl]-beta-phenyl-D-phenylalanyl-N-{(1S,3E)-1-[dihydroxy(diphenoxy)-lambda~5~-phosphanyl]-4-methoxybut-3-en-1-yl}-L-prolinamide
    33162
    PHX
    DB08396    		 3 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c17-1
    2(18)7-4-8-15-9-11-14(19)
    20-13(16-11)10-5-2-1-3-6-
    10/h1-3,5-6,9,15H,4,7-8H2
    ,(H,17,18);
    PXGNVFUWTUIRCJ-UHFFFAOYSA-N    		 O=C1OC(=N\C1=C\NCCCC(=O)O)c2ccccc2; OC(=
    O)CCCNC=C1N=C(OC1=O)c2ccccc2; OC(=O)CCCN
    \C=C1/N=C(OC1=O)c2ccccc2; c1ccc(cc1)C2=N
    C(=CNCCCC(=O)O)C(=O)O2    		 4-{[(Z)-(5-OXO-2-PHENYL-1,3-OXAZOL-4(5H)-YLIDENE)METHYL]AMINO}BUTANOIC ACID
    33163
    PHY
    ZINC000001532435    		 5 C6 H15 N O7 P2 InChI=1S/C6H15NO7P2/c1-4(
    6(8)9)3-15(10,5(2)7)14-16
    (11,12)13/h4-5H,3,7H2,1-2
    H3,(H,8,9)(H2,11,12,13)/t
    4-,5-,15+/m0/s1;
    BAIYWTZQRMCJBV-DKDXWZAISA-N    		 C[C@@H](N)[P@@](=O)(C[C@H](C)C(O)=O)O[P]
    (O)(O)=O; CC(CP(=O)(C(C)N)OP(=O)(O)O)C(=
    O)O; C[C@@H](C[P@](=O)([C@@H](C)N)OP(=O)
    (O)O)C(=O)O; O=P(OP(=O)(O)O)(C(N)C)CC(C(
    =O)O)C; C[CH](N)[P](=O)(C[CH](C)C(O)=O)O
    [P](O)(O)=O    		 1(S)-AMINOETHYL-(2-CARBOXYPROPYL)PHOSPHORYL-PHOSPHINIC ACID
    33164
    PHZ
    CHEMBL456807
    ZINC000000388099    		 2 C6 H8 N2 InChI=1S/C6H8N2/c7-8-6-4-
    2-1-3-5-6/h1-5,8H,7H2;
    HKOOXMFOFWEVGF-UHFFFAOYSA-N    		 NNc1ccccc1; c1ccc(cc1)NN 1-PHENYLHYDRAZINE;
    phenyldiazane
    33165
    PI    		 0 H O4 P InChI=1S/H3O4P/c1-5(2,3)4
    /h(H3,1,2,3,4)/p-2;
    NBIIXXVUZAFLBC-UHFFFAOYSA-L    		 [O-]P([O-])(=O)O; OP(=O)([O-])[O-]; O[P]
    ([O-])([O-])=O    		 HYDROGENPHOSPHATE ION
    33166
    PI0
    ZINC000039035254    		 1 C26 H36 N6 O5 S InChI=1S/C26H36N6O5S/c1-3
    -17(2)23(32-38(36,37)16-1
    9-7-5-4-6-8-19)26(35)31-2
    1(13-14-22(27)33)25(34)30
    -15-18-9-11-20(12-10-18)2
    4(28)29/h4-12,17,21,23,32
    H,3,13-16H2,1-2H3,(H2,27,
    33)(H3,28,29)(H,30,34)(H,
    31,35)/t17-,21+,23-/m1/s1;
    RKXCEYZSZWJMTQ-FRGLQRNOSA-N    		 [H]N=C(c1ccc(cc1)CNC(=O)C(CCC(=O)N)NC(=O
    )C(C(C)CC)NS(=O)(=O)Cc2ccccc2)N; CC[CH](
    C)[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N[CH](
    CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)=N; [H]/N=
    C(/c1ccc(cc1)CNC(=O)[C@H](CCC(=O)N)NC(=O
    )[C@@H]([C@H](C)CC)NS(=O)(=O)Cc2ccccc2)\
    N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C
    (=[N@H])N)CCC(=O)N)C(C)CC)Cc2ccccc2; CC[
    C@@H](C)[C@@H](N[S](=O)(=O)Cc1ccccc1)C(=
    O)N[C@@H](CCC(N)=O)C(=O)NCc2ccc(cc2)C(N)
    =N    		 (2S)-N-[(4-carbamimidoylphenyl)methyl]-2-[[(2R,3R)-3-methyl-2-(phenylmethylsulfonylamino)pentanoyl]amino]pentanediamide
    33167
    PI1    		 0 C34 H53 N7 O8 InChI=1S/C34H53N7O8/c1-5-
    20(4)30(34(48)39-29(19(2)
    3)31(36)45)40-33(47)25-8-
    6-14-41(25)18-26(42)23-16
    -21-10-12-22(13-11-21)49-
    15-7-9-28(44)37-24(17-27(
    35)43)32(46)38-23/h10-13,
    19-20,23-26,29-30,42H,5-9
    ,14-18H2,1-4H3,(H2,35,43)
    (H2,36,45)(H,37,44)(H,38,
    46)(H,39,48)(H,40,47)/t20
    -,23-,24-,25-,26-,29-,30-
    /m0/s1;
    NTXPPIBCRQQDJL-DNNFQJJYSA-N    		 CCC(C)C(C(=O)NC(C(C)C)C(=O)N)NC(=O)C1CCC
    N1CC(C2Cc3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC
    (=O)N)O; CC[C@H](C)[C@H](NC(=O)[C@@H]1CC
    CN1C[C@H](O)[C@@H]2Cc3ccc(OCCCC(=O)N[C@@
    H](CC(N)=O)C(=O)N2)cc3)C(=O)N[C@@H](C(C)
    C)C(N)=O; CC[C@H](C)[C@@H](C(=O)N[C@@H](
    C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([
    C@@H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2
    )CC(=O)N)O; O=C(N)C(NC(=O)C(NC(=O)C1N(CC
    C1)CC(O)C3NC(=O)C(NC(=O)CCCOc2ccc(cc2)C3
    )CC(=O)N)C(C)CC)C(C)C; CC[CH](C)[CH](NC(
    =O)[CH]1CCCN1C[CH](O)[CH]2Cc3ccc(OCCCC(=
    O)N[CH](CC(N)=O)C(=O)N2)cc3)C(=O)N[CH](C
    (C)C)C(N)=O    		 ;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 1
    33168
    PI2
    ZINC000031260358    		 0 C23 H36 N4 O5 InChI=1S/C23H36N4O5/c1-15
    (2)9-10-25-14-20(28)18-12
    -16-5-7-17(8-6-16)32-11-3
    -4-22(30)26-19(13-21(24)2
    9)23(31)27-18/h5-8,15,18-
    20,25,28H,3-4,9-14H2,1-2H
    3,(H2,24,29)(H,26,30)(H,2
    7,31)/t18-,19-,20+/m0/s1;
    SCRDVDSVEKGWGQ-SLFFLAALSA-N    		 CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O
    )N1)CC(=O)N)O; O=C1NC(C(O)CNCCC(C)C)Cc2c
    cc(OCCCC(=O)NC1CC(=O)N)cc2; CC(C)CCNC[C@
    H]([C@@H]1Cc2ccc(cc2)OCCCC(=O)N[C@H](C(=
    O)N1)CC(=O)N)O; CC(C)CCNC[C@@H](O)[C@@H]
    1Cc2ccc(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N1
    )cc2; CC(C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(
    =O)N[CH](CC(N)=O)C(=O)N1)cc2    		 2-{11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL] -6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-8-YL}-ACETAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 2
    33169
    PI3
    ZINC000008577179    		 0 C24 H39 N3 O4 InChI=1S/C24H39N3O4/c1-16
    (2)11-12-25-15-21(28)20-1
    4-18-7-9-19(10-8-18)31-13
    -5-6-22(29)27-23(17(3)4)2
    4(30)26-20/h7-10,16-17,20
    -21,23,25,28H,5-6,11-15H2
    ,1-4H3,(H,26,30)(H,27,29)
    /t20-,21+,23-/m0/s1;
    IUDJFSQFSQZRNP-XJUOHMSHSA-N    		 CC(C)CCNCC(C1Cc2ccc(cc2)OCCCC(=O)NC(C(=O
    )N1)C(C)C)O; CC(C)CCNC[C@@H](O)[C@@H]1Cc
    2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N1)cc2;
    CC(C)CCNC[C@H]([C@@H]1Cc2ccc(cc2)OCCCC(
    =O)N[C@H](C(=O)N1)C(C)C)O; O=C1NC(C(O)CN
    CCC(C)C)Cc2ccc(OCCCC(=O)NC1C(C)C)cc2; CC
    (C)CCNC[CH](O)[CH]1Cc2ccc(OCCCC(=O)N[CH]
    (C(C)C)C(=O)N1)cc2    		 11-[1-HYDROXY-2-(3-METHYL-BUTYLAMINO)-ETHYL]-8-ISOPROPYL-2-OXA-7,10- DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14-TRIENE-6,9-DIONE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 3
    33170
    PI4
    ZINC000014954120    		 2 C28 H43 N5 O6 InChI=1S/C28H43N5O6/c1-28
    (2,3)32-27(38)22-7-4-5-13
    -33(22)17-23(34)20-15-18-
    9-11-19(12-10-18)39-14-6-
    8-25(36)30-21(16-24(29)35
    )26(37)31-20/h9-12,20-23,
    34H,4-8,13-17H2,1-3H3,(H2
    ,29,35)(H,30,36)(H,31,37)
    (H,32,38)/t20-,21-,22-,23
    +/m0/s1;
    GHEDXAXQQMZPLE-CWBXHPNXSA-N    		 CC(C)(C)NC(=O)[C@@H]1CCCC[N@]1C[C@H]([C@
    @H]2Cc3ccc(cc3)OCCCC(=O)N[C@H](C(=O)N2)C
    C(=O)N)O; CC(C)(C)NC(=O)[CH]1CCCCN1C[CH]
    (O)[CH]2Cc3ccc(OCCCC(=O)N[CH](CC(N)=O)C(
    =O)N2)cc3; CC(C)(C)NC(=O)C1CCCCN1CC(C2Cc
    3ccc(cc3)OCCCC(=O)NC(C(=O)N2)CC(=O)N)O;
    O=C(NC(C)(C)C)C1N(CCCC1)CC(O)C3NC(=O)C(N
    C(=O)CCCOc2ccc(cc2)C3)CC(=O)N; CC(C)(C)N
    C(=O)[C@@H]1CCCCN1C[C@@H](O)[C@@H]2Cc3cc
    c(OCCCC(=O)N[C@@H](CC(N)=O)C(=O)N2)cc3    		 1-[2-(8-CARBAMOYLMETHYL-6,9-DIOXO-2-OXA-7,10-DIAZA-BICYCLO[11.2.2]HEPTADECA- 1(16),13(17),14-TRIEN-11-YL)-2-HYDROXY-ETHYL]-PIPERIDINE-2-CARBOXYLIC ACID TERT-BUTYLAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 4
    33171
    PI5
    ZINC000058632560    		 2 C37 H53 N5 O7 InChI=1S/C37H53N5O7/c1-5-
    24(4)33-36(47)38-17-7-19-
    49-28-15-11-26(12-16-28)2
    1-30(35(46)41-33)39-22-31
    (44)29(20-25-9-13-27(43)1
    4-10-25)40-37(48)34(23(2)
    3)42-18-6-8-32(42)45/h9-1
    6,23-24,29-31,33-34,39,43
    -44H,5-8,17-22H2,1-4H3,(H
    ,38,47)(H,40,48)(H,41,46)
    /t24-,29-,30-,31+,33-,34-
    /m0/s1;
    WGWWDGLTNADWNS-HKERLIEGSA-N    		 CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCNC1=
    O)cc2)NC[CH](O)[CH](Cc3ccc(O)cc3)NC(=O)[
    CH](C(C)C)N4CCCC4=O; O=C1N(CCC1)C(C(=O)N
    C(Cc2ccc(O)cc2)C(O)CNC4C(=O)NC(C(=O)NCCC
    Oc3ccc(cc3)C4)C(C)CC)C(C)C; CC[C@H](C)[C
    @@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1=O)cc2)NC
    [C@@H](O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H](
    C(C)C)N4CCCC4=O; CCC(C)C1C(=O)NCCCOc2ccc
    (cc2)CC(C(=O)N1)NCC(C(Cc3ccc(cc3)O)NC(=O
    )C(C(C)C)N4CCCC4=O)O; CC[C@H](C)[C@H]1C(
    =O)NCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[C@H
    ]([C@H](Cc3ccc(cc3)O)NC(=O)[C@H](C(C)C)N
    4CCCC4=O)O    		 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2]HEPTADECA-1(16),13(17),14- TRIEN-11-YLAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL)-PROPYL]-3-METHYL-2- (2-OXO-PYRROLIDIN-1-YL)-BUTYRAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 5
    33172
    PI6
    ZINC000014954127    		 4 C33 H48 N4 O6 InChI=1S/C33H48N4O6/c1-6-
    22(2)29-31(40)34-17-10-18
    -42-25-15-13-24(14-16-25)
    20-27(30(39)37-29)35-21-2
    8(38)26(19-23-11-8-7-9-12
    -23)36-32(41)43-33(3,4)5/
    h7-9,11-16,22,26-29,35,38
    H,6,10,17-21H2,1-5H3,(H,3
    4,40)(H,36,41)(H,37,39)/t
    22-,26-,27-,28+,29-/m0/s1;
    RFUKEYSMPSCDLJ-CLFZCTPNSA-N    		 CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(cc2)C[C@
    @H](C(=O)N1)NC[C@H]([C@H](Cc3ccccc3)NC(=
    O)OC(C)(C)C)O; CC[C@H](C)[C@@H]1NC(=O)[C
    @H](Cc2ccc(OCCCNC1=O)cc2)NC[C@@H](O)[C@H
    ](Cc3ccccc3)NC(=O)OC(C)(C)C; CC[CH](C)[C
    H]1NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH
    ](O)[CH](Cc3ccccc3)NC(=O)OC(C)(C)C; O=C(
    OC(C)(C)C)NC(Cc1ccccc1)C(O)CNC3C(=O)NC(C
    (=O)NCCCOc2ccc(cc2)C3)C(C)CC; CCC(C)C1C(
    =O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3cc
    ccc3)NC(=O)OC(C)(C)C)O    		 [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 6
    33173
    PI7
    ZINC000058638592    		 2 C36 H53 N5 O7 InChI=1S/C36H53N5O7/c1-6-
    23(5)33-35(46)37-17-8-18-
    48-27-15-11-25(12-16-27)2
    0-29(34(45)41-33)38-21-30
    (43)28(19-24-9-13-26(42)1
    4-10-24)39-36(47)32(22(3)
    4)40-31(44)7-2/h9-16,22-2
    3,28-30,32-33,38,42-43H,6
    -8,17-21H2,1-5H3,(H,37,46
    )(H,39,47)(H,40,44)(H,41,
    45)/t23-,28-,29-,30+,32-,
    33-/m0/s1;
    GGJVAHWDPSGNIX-UFJOGPAOSA-N    		 CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)N
    CC(C(Cc3ccc(cc3)O)NC(=O)C(C(C)C)NC(=O)CC
    )O; O=C(NC(C(=O)NC(Cc1ccc(O)cc1)C(O)CNC3
    C(=O)NC(C(=O)NCCCOc2ccc(cc2)C3)C(C)CC)C(
    C)C)CC; CC[C@H](C)[C@H]1C(=O)NCCCOc2ccc(
    cc2)C[C@@H](C(=O)N1)NC[C@H]([C@H](Cc3ccc
    (cc3)O)NC(=O)[C@H](C(C)C)NC(=O)CC)O; CC[
    C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(OCCCNC1
    =O)cc2)NC[C@@H](O)[C@H](Cc3ccc(O)cc3)NC(
    =O)[C@@H](NC(=O)CC)C(C)C; CC[CH](C)[CH]1
    NC(=O)[CH](Cc2ccc(OCCCNC1=O)cc2)NC[CH](O
    )[CH](Cc3ccc(O)cc3)NC(=O)[CH](NC(=O)CC)C
    (C)C    		 N-[3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YAMINO)-2-HYDROXY-1-(4-HYDROXY-BENZYL) -PROPYL]-3-METHYL-2-PROPIONYLAMINO-BUTYRAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 7
    33174
    PI8
    ZINC000027102321    		 2 C41 H54 N4 O6 InChI=1S/C41H54N4O6/c1-3-
    27(2)37-41(50)42-20-10-5-
    11-21-51-33-18-16-29(17-1
    9-33)23-35(40(49)44-37)43
    -26-32(46)24-31(22-28-12-
    6-4-7-13-28)39(48)45-38-3
    4-15-9-8-14-30(34)25-36(3
    8)47/h4,6-9,12-19,27,31-3
    2,35-38,43,46-47H,3,5,10-
    11,20-26H2,1-2H3,(H,42,50
    )(H,44,49)(H,45,48)/t27-,
    31+,32-,35-,36+,37-,38-/m
    0/s1;
    ZXUOAWXMXWTRGE-ZKQACQBYSA-N    		 CC[CH](C)[CH]1NC(=O)[CH](Cc2ccc(OCCCCCNC
    1=O)cc2)NC[CH](O)C[CH](Cc3ccccc3)C(=O)N[
    CH]4[CH](O)Cc5ccccc45; CC[C@H](C)[C@H]1C
    (=O)NCCCCCOc2ccc(cc2)C[C@@H](C(=O)N1)NC[
    C@H](C[C@@H](Cc3ccccc3)C(=O)N[C@H]4c5ccc
    cc5C[C@H]4O)O; CC[C@H](C)[C@@H]1NC(=O)[C
    @H](Cc2ccc(OCCCCCNC1=O)cc2)NC[C@@H](O)C[
    C@@H](Cc3ccccc3)C(=O)N[C@@H]4[C@H](O)Cc5
    ccccc45; O=C(NC2c1ccccc1CC2O)C(Cc3ccccc3
    )CC(O)CNC5C(=O)NC(C(=O)NCCCCCOc4ccc(cc4)
    C5)C(C)CC; CCC(C)C1C(=O)NCCCCCOc2ccc(cc2
    )CC(C(=O)N1)NCC(CC(Cc3ccccc3)C(=O)NC4c5c
    cccc5CC4O)O    		 N-13-[(10S,13S)-9,12-DIOXO-10-(2-BUTYL)-2-OXA-8,11-DIAZABICYCLO [13.2.2] NONADECA-15,17,18-TRIENE] (2R)-BENZYL-(4S)-HYDROXY-5-AMINOPENTANOIC (1R)-HYDROXY-(2S)-INDANEAMIDE;
    MACROCYCLIC PEPTIDOMIMETIC INHIBITOR 8
    33175
    PI9
    CHEMBL442738
    ZINC000029399681    		 2 C32 H48 N4 O6 S InChI=1S/C32H48N4O6S/c1-2
    2(2)17-18-36(43(40,41)27-
    15-11-25(33)12-16-27)21-2
    9(37)28-20-24-9-13-26(14-
    10-24)42-19-7-5-6-8-30(38
    )35-31(23(3)4)32(39)34-28
    /h9-16,22-23,28-29,31,37H
    ,5-8,17-21,33H2,1-4H3,(H,
    34,39)(H,35,38)/t28-,29+,
    31-/m0/s1;
    FBNSKSOTNMECSA-FLBADVGZSA-N    		 CC(C)CCN(C[C@@H](O)[C@@H]1Cc2ccc(OCCCCCC
    (=O)N[C@@H](C(C)C)C(=O)N1)cc2)[S](=O)(=O
    )c3ccc(N)cc3; CC(C)CCN(C[CH](O)[CH]1Cc2c
    cc(OCCCCCC(=O)N[CH](C(C)C)C(=O)N1)cc2)[S
    ](=O)(=O)c3ccc(N)cc3; CC(C)CC[N@@](C[C@H
    ]([C@@H]1Cc2ccc(cc2)OCCCCCC(=O)N[C@H](C(
    =O)N1)C(C)C)O)S(=O)(=O)c3ccc(cc3)N; O=S(
    =O)(c1ccc(N)cc1)N(CCC(C)C)CC(O)C3NC(=O)C
    (NC(=O)CCCCCOc2ccc(cc2)C3)C(C)C; CC(C)CC
    N(CC(C1Cc2ccc(cc2)OCCCCCC(=O)NC(C(=O)N1)
    C(C)C)O)S(=O)(=O)c3ccc(cc3)N    		 (10S,13S,1'R)-13-[1'-HYDROXY-2'-(N-P-AMINOBENZENESULFONYL-1''-AMINO-3''-METHYLBUTYL)ETHYL]-8,11-DIOXO-10-ISOPROPYL-2-OXA-9,12-DIAZABICYCLO [13.2.2]NONADECA-15,17,18-TRIENE
    33176
    PIA
    ZINC000006929402    		 0 C14 H15 N3 O4 InChI=1S/C14H15N3O4/c1-8(
    15)13-16-11(14(21)17(13)7
    -12(19)20)6-9-2-4-10(18)5
    -3-9/h2-6,8,18H,7,15H2,1H
    3,(H,19,20)/b11-6-/t8-/m0
    /s1;
    UMPNJELZAAOGQG-OITNDJBGSA-N    		 O=C1C(\N=C(N1CC(=O)O)C(N)C)=C\c2ccc(O)cc
    2; CC(C1=NC(=Cc2ccc(cc2)O)C(=O)N1CC(=O)O
    )N; C[CH](N)C1=NC(=Cc2ccc(O)cc2)C(=O)N1C
    C(O)=O; C[C@H](N)C1=N\C(=C/c2ccc(O)cc2)C
    (=O)N1CC(O)=O; C[C@@H](C1=N/C(=C\c2ccc(c
    c2)O)/C(=O)N1CC(=O)O)N    		 [(4Z)-2-[(1S)-1-aminoethyl]-4-(4-hydroxybenzylidene)-5-oxo-4,5-dihydro-1H-imidazol-1-yl]acetic acid
    33177
    PIB
    ZINC000015569120    		 9 C17 H32 O16 P2 InChI=1S/C17H32O16P2/c1-3
    -5-10(18)29-7-9(31-11(19)
    6-4-2)8-30-35(27,28)33-17
    -14(22)12(20)13(21)16(15(
    17)23)32-34(24,25)26/h9,1
    2-17,20-23H,3-8H2,1-2H3,(
    H,27,28)(H2,24,25,26)/t9-
    ,12-,13-,14+,15+,16+,17-/
    m0/s1;
    NKJZZWLREOAJGO-HODIZBBFSA-N    		 CCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)
    [CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH]1O)O
    C(=O)CCC; CCCC(=O)OCC(COP(=O)(O)OC1C(C(C
    (C(C1O)OP(=O)(O)O)O)O)O)OC(=O)CCC; CCCC(
    =O)OC[C@@H](CO[P@](=O)(O)O[C@H]1[C@@H]([
    C@H]([C@@H]([C@H]([C@H]1O)OP(=O)(O)O)O)O
    )O)OC(=O)CCC; CCCC(=O)OC[C@@H](CO[P@@](O
    )(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@
    @H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC; O=C(
    OCC(OC(=O)CCC)COP(=O)(OC1C(O)C(O)C(O)C(O
    P(=O)(O)O)C1O)O)CCC    		 2-(BUTANOYLOXY)-1-{[(HYDROXY{[2,3,4,6-TETRAHYDROXY-5-(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL)OXY]METHYL}ETHYL BUTANOATE;
    D-MYO-PHOSPHATIDYLINOSITOL 3-PHOSPHATED (+)-SN-1,2-DI-O-BUTANOYLGLYCERYL,3-O-PHOSPHO
    33178
    PIC
    CHEMBL99447
    DB08397
    ZINC000002047327    		 1 C12 H9 F2 O5 P InChI=1S/C12H9F2O5P/c13-1
    2(14,20(17,18)19)10-4-3-7
    -5-9(11(15)16)2-1-8(7)6-1
    0/h1-6H,(H,15,16)(H2,17,1
    8,19);
    NKGNOWNPXBURRW-UHFFFAOYSA-N    		 FC(F)(c2ccc1c(ccc(c1)C(=O)O)c2)P(=O)(O)O
    ; c1cc(cc2c1cc(cc2)C(F)(F)P(=O)(O)O)C(=O
    )O; OC(=O)c1ccc2cc(ccc2c1)C(F)(F)[P](O)(
    O)=O    		 6-(DIFLUORO-PHOSPHONO-METHYL)-NAPHTHALENE-2-CARBOXYLIC ACID
    33179
    PID    		 198 C39 H50 O7 InChI=1S/C39H50O7/c1-26(1
    6-17-33-35(4,5)24-32(44-2
    8(3)40)25-37(33,8)43)14-1
    2-10-11-13-15-27(2)20-31-
    21-29(34(42)45-31)18-19-3
    9-36(6,7)22-30(41)23-38(3
    9,9)46-39/h10-16,18-21,30
    ,32,41,43H,22-25H2,1-9H3/
    b12-10+,13-11+,19-18+,26-
    14+,27-15+,31-20-/t17-,30
    -,32-,37+,38+,39-/m0/s1;
    UYRDHEJRPVSJFM-FROCQLDGSA-N    		 CC(=O)O[CH]1CC(C)(C)[C](=[C]=[CH]C(C)=CC
    =CC=CC=C(C)C=C2OC(=O)C(=C2)C=C[C]34O[C]3
    (C)C[CH](O)CC4(C)C)[C](C)(O)C1; CC(=CC=C
    C=CC=C(C)C=C1C=C(C(=O)O1)C=CC23C(CC(CC2(
    O3)C)O)(C)C)C=C=C4C(CC(CC4(C)O)OC(=O)C)(
    C)C; CC(=C\C=C\C=C\C=C(/C)\C=C/1\C=C(C(=
    O)O1)\C=C\[C@]23C(C[C@@H](C[C@]2(O3)C)O)
    (C)C)C=C=C4C(C[C@@H](C[C@@]4(C)O)OC(=O)C
    )(C)C; O=C(OC4CC(\C(=C=C\C(=C\C=C\C=C\C=
    C(\C=C1/OC(=O)C(=C1)/C=C/C23OC3(C)CC(O)C
    C2(C)C)C)C)C(O)(C)C4)(C)C)C; CC(=O)O[C@H
    ]1CC(C)(C)[C](=[C@]=[CH]/C(C)=C/C=C/C=C/
    C=C(C)/C=C/2OC(=O)C(=C/2)/C=C/[C@@]34O[C
    @]3(C)C[C@@H](O)CC4(C)C)[C@](C)(O)C1    		 PERIDININ
    33180
    PIE
    DB02144    		 21 C43 H80 O13 P InChI=1S/C43H81O13P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-37(45)55
    -35(34-54-57(51,52)56-43-
    41(49)39(47)38(46)40(48)4
    2(43)50)33-53-36(44)31-29
    -27-25-23-21-19-16-14-12-
    10-8-6-4-2/h17-18,35,38-4
    3,46-50H,3-16,19-34H2,1-2
    H3,(H,51,52)/p-1/b18-17+/
    t35-,38-,39-,40+,41-,42-,
    43-/m1/s1;
    PDLAMJKMOKWLAJ-OJERQSHOSA-M    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([
    O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)
    O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC; CCCCCCCC
    CCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(
    C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O
    )O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](
    O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC; O=
    C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-
    ])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([
    O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](
    O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
    33181
    PIF
    ZINC000150339754    		 4 C25 H48 O16 P2 InChI=1S/C25H48O16P2/c1-3
    -5-7-9-11-13-18(26)37-15-
    17(39-19(27)14-12-10-8-6-
    4-2)16-38-43(35,36)41-25-
    22(30)20(28)24(21(29)23(2
    5)31)40-42(32,33)34/h17,2
    0-25,28-31H,3-16H2,1-2H3,
    (H,35,36)(H2,32,33,34)/t1
    7-,20-,21+,22-,23-,24+,25
    +/m1/s1;
    SNIQYSSXZJPPEL-LKTRINTESA-N    		 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OC1[C@@
    H]([C@H](C([C@H]([C@H]1O)O)OP(=O)(O)O)O)
    O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@H](CO[
    P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](
    O[P](O)(O)=O)[C@H](O)[C@H]1O)OC(=O)CCCCC
    CC; O=C(OCC(OC(=O)CCCCCCC)COP(=O)(O)OC1C
    (O)C(O)C(OP(=O)(O)O)C(O)C1O)CCCCCCC; CCC
    CCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)O)
    OP(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O)[CH]1O)OC(=O)C
    CCCCCC    		 (2R)-3-{[(S)-hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,5,6-tetrahydroxy-4-(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    L-ALPHA-D-MYOPHOSPHATIDYLINOSITOL 4-PHOSPHATE;
    D(+)SN1,2DI-O-OCTANOYLGLYCERYL
    33182
    PIG    		 0 C6 H14 O4 InChI=1/C6H14O4/c7-1-3-9-
    5-6-10-4-2-8/h7-8H,1-6H2;
    ZIBGPFATKBEMQZ-UHFFFAOYAS    		 C(COCCOCCO)O; OCCOCCOCCO 2-[2-(2-HYDROXY-ETHOXY)-ETHOXY]-ETHANOL
    33183
    PIH
    CHEMBL116296
    DB02252
    ZINC000001699878    		 5 C6 H5 I InChI=1S/C6H5I/c7-6-4-2-1
    -3-5-6/h1-5H;
    SNHMUERNLJLMHN-UHFFFAOYSA-N    		 Ic1ccccc1; c1ccc(cc1)I iodobenzene
    33184
    PII
    ZINC000150344098    		 3 C42 H81 O13 P InChI=1S/C42H81O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-36(44)54-34
    (33-53-56(50,51)55-42-40(
    48)38(46)37(45)39(47)41(4
    2)49)32-52-35(43)30-28-26
    -24-22-20-18-16-14-12-10-
    8-6-4-2/h34,37-42,45-49H,
    3-33H2,1-2H3,(H,50,51)/t3
    4-,37-,38-,39+,40-,41-,42
    -/m1/s1;
    QVAGJHIIXLLVCI-KSGPIMHQSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O;
    CCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCC
    CCCCCCCCCCC)CO[P@](O)(=O)O[C@@H]1[C@H](O
    )[C@H](O)[C@@H](O)[C@H](O)[C@H]1O; O=C(O
    CC(OC(=O)CCCCCCCCCCCCCCCC)COP(=O)(OC1C(O
    )C(O)C(O)C(O)C1O)O)CCCCCCCCCCCCCCC; CCCC
    CCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC
    CCCCCC)CO[P@@](=O)(O)OC1[C@@H]([C@@H](C(
    [C@@H]([C@H]1O)O)O)O)O; CCCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)
    [CH]1O    		 2-[(HYDROXY{[(2R,3R,5S,6R)-2,3,4,5,6-PENTAHYDROXYCYCLOHEXYL]OXY}PHOSPHORYL)OXY]-1-[(PALMITOYLOXY)METHYL]ETHYL HEPTADECANOATE
    33185
    PIJ    		 7 C42 H81 O13 P InChI=1S/C42H81O13P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    3-25-27-29-31-36(44)54-34
    (33-53-56(50,51)55-42-40(
    48)38(46)37(45)39(47)41(4
    2)49)32-52-35(43)30-28-26
    -24-22-20-18-16-14-12-10-
    8-6-4-2/h34,37-42,45-49H,
    3-33H2,1-2H3,(H,50,51)/t3
    4-,37-,38-,39+,40+,41-,42
    -/m0/s1;
    QVAGJHIIXLLVCI-XTAHIRAYSA-N    		 CCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC
    CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O)O)O)O)O;
    CCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCC
    CCCCCCCCCCCC)CO[P@](=O)(O)OC1[C@@H]([C@H
    ](C([C@H]([C@@H]1O)O)O)O)O; O=C(OCC(OC(=
    O)CCCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)
    C(O)C(O)C1O)CCCCCCCCCCCCCCC; CCCCCCCCCCC
    CCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC
    )CO[P](O)(=O)O[C@@H]1[C@@H](O)[C@H](O)[C
    @@H](O)[C@H](O)[C@H]1O; CCCCCCCCCCCCCCCC
    C(=O)O[CH](COC(=O)CCCCCCCCCCCCCCC)CO[P](
    O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)
    [CH]1O    		 [(2S)-1-hexadecanoyloxy-3-[hydroxy-[(2S,3R,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] heptadecanoate
    33186
    PIK
    ZINC000150339449    		 9 C41 H81 O19 P3 InChI=1S/C41H81O19P3/c1-3
    -5-7-9-11-13-15-17-19-21-
    23-25-27-29-34(42)55-31-3
    3(57-35(43)30-28-26-24-22
    -20-18-16-14-12-10-8-6-4-
    2)32-56-63(53,54)60-39-36
    (44)37(45)40(58-61(47,48)
    49)41(38(39)46)59-62(50,5
    1)52/h33,36-41,44-46H,3-3
    2H2,1-2H3,(H,53,54)(H2,47
    ,48,49)(H2,50,51,52)/t33-
    ,36+,37-,38-,39+,40+,41+/
    m0/s1;
    HKWJHKSHEWVOSS-MVLQGUJPSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C
    (C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O
    )CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [C@@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([
    C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)
    O)O)O)OC(=O)CCCCCCCCCCCCCCC; O=C(OCC(OC(
    =O)CCCCCCCCCCCCCCC)COP(=O)(O)OC1C(O)C(O)
    C(OP(=O)(O)O)C(OP(=O)(O)O)C1O)CCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P
    ](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O
    [P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)O
    C(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O
    )[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH
    ]1O)OC(=O)CCCCCCCCCCCCCCC    		 (2S)-3-{[(R)-hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl]oxy}propane-1,2-diyl dihexadecanoate;
    PI(4,5)P2 dipalmitoyl (16:0,16:0)
    33187
    PIL
    CHEMBL42126
    DB01791
    ZINC000000598965    		 6 C18 H18 Cl2 N2 O3 InChI=1S/C18H18Cl2N2O3/c1
    -24-15-7-6-11(8-16(15)25-
    12-4-2-3-5-12)18(23)22-17
    -13(19)9-21-10-14(17)20/h
    6-10,12H,2-5H2,1H3,(H,21,
    22,23);
    RRRUXBQSQLKHEL-UHFFFAOYSA-N    		 COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(cncc3Cl)Cl
    ; Clc3c(NC(=O)c2ccc(OC)c(OC1CCCC1)c2)c(C
    l)cnc3; COc1ccc(cc1OC2CCCC2)C(=O)Nc3c(Cl
    )cncc3Cl    		 3-(CYCLOPENTYLOXY)-N-(3,5-DICHLOROPYRIDIN-4-YL)-4-METHOXYBENZAMIDE;
    PICLAMILAST
    33188
    PIM
    CHEMBL14145
    DB03254
    ZINC000004692811    		 22 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-6-10-7-11-9/h1-7H
    ,(H,10,11);
    XHLKOHSAWQPOFO-UHFFFAOYSA-N    		 c1ccc(cc1)c2cnc[nH]2; n2cc(c1ccccc1)nc2;
    [nH]1cncc1c2ccccc2    		 4-PHENYL-1H-IMIDAZOLE
    33189
    PIN
    ZINC000019364835    		 43 C8 H18 N2 O6 S2 InChI=1S/C8H18N2O6S2/c11-
    17(12,13)7-5-9-1-2-10(4-3
    -9)6-8-18(14,15)16/h1-8H2
    ,(H,11,12,13)(H,14,15,16);
    IHPYMWDTONKSCO-UHFFFAOYSA-N    		 O=S(=O)(O)CCN1CCN(CCS(=O)(=O)O)CC1; C1CN
    (CCN1CCS(=O)(=O)O)CCS(=O)(=O)O; O[S](=O)
    (=O)CCN1CCN(CC1)CC[S](O)(=O)=O    		 PIPERAZINE-N,N'-BIS(2-ETHANESULFONIC ACID);
    PIPES;
    1,4-PIPERAZINEDIETHANESULFONIC ACID
    33190
    PIO
    ZINC000097972490    		 415 C25 H49 O19 P3 InChI=1S/C25H49O19P3/c1-3
    -5-7-9-11-13-18(26)39-15-
    17(41-19(27)14-12-10-8-6-
    4-2)16-40-47(37,38)44-23-
    20(28)21(29)24(42-45(31,3
    2)33)25(22(23)30)43-46(34
    ,35)36/h17,20-25,28-30H,3
    -16H2,1-2H3,(H,37,38)(H2,
    31,32,33)(H2,34,35,36)/t1
    7-,20-,21+,22+,23-,24-,25
    -/m1/s1;
    XLNCEHRXXWQMPK-MJUMVPIBSA-N    		 CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1
    [C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H
    ](O[P](O)(O)=O)[C@H]1O)OC(=O)CCCCCCC; CC
    CCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](
    O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(
    O)=O)[CH]1O)OC(=O)CCCCCCC; CCCCCCCC(=O)O
    CC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)O
    P(=O)(O)O)O)O)OC(=O)CCCCCCC; CCCCCCCC(=O
    )OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]
    ([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(
    O)O)O)O)OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCC
    CCCC)COP(=O)(O)OC1C(O)C(O)C(OP(=O)(O)O)C
    (OP(=O)(O)O)C1O)CCCCCCC    		 [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate;
    dioctanoyl l-alpha-phosphatidyl-d-myo-inositol 4,5-diphosphate
    33191
    PIP
    CHEMBL15487
    ZINC000001529277    		 0 C5 H11 N InChI=1S/C5H11N/c1-2-4-6-
    5-3-1/h6H,1-5H2;
    NQRYJNQNLNOLGT-UHFFFAOYSA-N    		 N1CCCCC1; C1CCNCC1 PIPERIDINE
    33192
    PIQ
    CHEMBL1213271
    DB08398
    ZINC000001850101    		 2 C13 H12 N4 InChI=1S/C13H12N4/c1-17-1
    1-7-10(9-5-3-2-4-6-9)8-15
    -12(11)16-13(17)14/h2-8H,
    1H3,(H2,14,15,16);
    UQVKZNNCIHJZLS-UHFFFAOYSA-N    		 Cn1c2cc(cnc2nc1N)c3ccccc3; Cn1c(N)nc2ncc
    (cc12)c3ccccc3; n1cc(cc2c1nc(n2C)N)c3ccc
    cc3    		 2-AMINO-1-METHYL-6-PHENYLIMIDAZO[4,5-B]PYRIDINE
    33193
    PIR
    ZINC000005933433    		 4 C11 H16 N2 O3 InChI=1S/C11H16N2O3/c12-7
    -3-1-6(2-4-7)9-11(16)10(1
    5)8(5-14)13-9/h1-4,8-11,1
    3-16H,5,12H2/t8-,9+,10-,1
    1+/m1/s1;
    SQENVZNKXLCDLF-YTWAJWBKSA-N    		 c1cc(ccc1C2C(C(C(N2)CO)O)O)N; c1cc(ccc1[
    C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N; Nc
    1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]
    2O; Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]
    2O; OC2C(c1ccc(N)cc1)NC(CO)C2O    		 2-(4-AMINO-PHENYL)-5-HYDROXYMETHYL-PYRROLIDINE-3,4-DIOL
    33194
    PIS
    DB02423    		 30 H3 O6 P2 S InChI=1S/H4O6P2S/c1-7(2,3
    )6-8(4,5)9/h(H2,1,2,3)(H2
    ,4,5,9)/p-1;
    HWTUHTNZLQJJEV-UHFFFAOYSA-M    		 OP(=O)(O)O[P@](=O)(O)[S-]; OP(=O)(O)OP(=
    O)(O)[S-]; O[P](O)(=O)O[P@](O)([S-])=O;
    O[P](O)(=O)O[P](O)([S-])=O; [S-]P(=O)(O)
    OP(=O)(O)O    		 TRIHYDROGEN THIODIPHOSPHATE;
    THIOPYROPHOSPHATE
    33195
    PIT
    CHEMBL69863
    DB08399
    ZINC000000014036    		 40 C14 H12 O4 InChI=1S/C14H12O4/c15-11-
    5-10(6-12(16)8-11)2-1-9-3
    -4-13(17)14(18)7-9/h1-8,1
    5-18H/b2-1+;
    CDRPUGZCRXZLFL-OWOJBTEDSA-N    		 Oc1cc(O)cc(\C=C\c2ccc(O)c(O)c2)c1; c1cc(
    c(cc1C=Cc2cc(cc(c2)O)O)O)O; c1cc(c(cc1\C
    =C\c2cc(cc(c2)O)O)O)O; Oc1cc(O)cc(C=Cc2c
    cc(O)c(O)c2)c1; Oc2ccc(\C=C\c1cc(O)cc(O)
    c1)cc2O    		 PICEATANNOL;
    4-[(E)-2-(3,5-DIHYDROXYPHENYL)ETHENYL]BENZENE-1,2-DIOL
    33196
    PIU
    CHEMBL1184499
    DB04763
    ZINC000012504500    		 1 C16 H21 N2 O2 S InChI=1S/C16H21N2O2S/c1-1
    2-10-13(2)18(14(3)11-12)9
    -8-15-4-6-16(7-5-15)21(17
    ,19)20/h4-7,10-11H,8-9H2,
    1-3H3,(H2,17,19,20)/q+1;
    UXBCHTZINZNVRG-UHFFFAOYSA-N    		 Cc1cc(C)[n+](CCc2ccc(cc2)[S](N)(=O)=O)c(
    C)c1; O=S(=O)(N)c1ccc(cc1)CC[n+]2c(cc(cc
    2C)C)C; Cc1cc([n+](c(c1)C)CCc2ccc(cc2)S(
    =O)(=O)N)C    		 1-{2-[4-(AMINOSULFONYL)PHENYL]ETHYL}-2,4,6-TRIMETHYLPYRIDINIUM;
    1-N-(4-SULFAMOYLPHENYL-ETHYL)-2,4,6-TRIMETHYLPYRIDINIUM
    33197
    PIV
    CHEMBL322719
    ZINC000000007993    		 2 C5 H10 O2 InChI=1S/C5H10O2/c1-5(2,3
    )4(6)7/h1-3H3,(H,6,7);
    IUGYQRQAERSCNH-UHFFFAOYSA-N    		 CC(C)(C)C(O)=O; CC(C)(C)C(=O)O; O=C(O)C(
    C)(C)C    		 PIVALIC ACID
    33198
    PIW
    CHEMBL275066
    ZINC000000160340    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-9(
    5-3-1)11-7-6-10-8-11/h1-8
    H;
    SEULWJSKCVACTH-UHFFFAOYSA-N    		 c1ccc(cc1)n2ccnc2; n2ccn(c1ccccc1)c2 1-phenyl-1H-imidazole
    33199
    PIX
    DB08400
    ZINC000038996622    		 4 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)15-4-5-17(23-12
    -15)27-16-3-1-2-14(11-16)
    10-13-6-8-24(9-7-13)18(25
    )26/h1-5,11-13H,6-10H2,(H
    ,25,26);
    KUEKMTNOUPAOBS-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(nc1)Oc2cccc(c2)CC3CCN(C(=O
    )O)CC3; c1cc(cc(c1)Oc2ccc(cn2)C(F)(F)F)C
    C3CCN(CC3)C(=O)O; OC(=O)N1CCC(CC1)Cc2ccc
    c(Oc3ccc(cn3)C(F)(F)F)c2    		 4-(3-{[5-(trifluoromethyl)pyridin-2-yl]oxy}benzyl)piperidine-1-carboxylic acid
    33200
    PIY
    CHEMBL14189
    ZINC000000333848    		 4 C9 H8 N2 InChI=1S/C9H8N2/c1-2-4-8(
    5-3-1)9-10-6-7-11-9/h1-7H
    ,(H,10,11);
    ZCUJYXPAKHMBAZ-UHFFFAOYSA-N    		 c1ccc(cc1)c2[nH]ccn2; n1ccnc1c2ccccc2; [
    nH]1ccnc1c2ccccc2    		 2-phenyl-1H-imidazole
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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