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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32601
    PQL    		 1 C22 H30 F3 N5 O4 S2 InChI=1S/C22H30F3N5O4S2/c
    1-20(2,3)15(29-19(34)22(2
    3,24)25)18(33)30-11-21(35
    -6-7-36-21)9-14(30)17(32)
    28-13(10-26)8-12-4-5-27-1
    6(12)31/h12-15H,4-9,11H2,
    1-3H3,(H,27,31)(H,28,32)(
    H,29,34)/t12-,13-,14-,15+
    /m0/s1;
    LQBRGTAIBBFUJJ-ZQDZILKHSA-N    		 CC(C)(C)[CH](NC(=O)C(F)(F)F)C(=O)N1CC2(C
    [CH]1C(=O)N[CH](C[CH]3CCNC3=O)C#N)SCCS2;
    CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1CC2
    (C[C@H]1C(=O)N[C@@H](C[C@@H]3CCNC3=O)C#N
    )SCCS2; CC(C)(C)C(C(=O)N1CC2(CC1C(=O)NC(
    CC3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(F)F; CC(
    C)(C)[C@@H](C(=O)N1CC2(C[C@H]1C(=O)N[C@@
    H](C[C@@H]3CCNC3=O)C#N)SCCS2)NC(=O)C(F)(
    F)F    		 (8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide
    32602
    PQM
    CHEMBL4539725
    ZINC000001437372    		 1 C12 H9 N O2 InChI=1S/C12H9NO2/c14-12(
    15)10-5-3-9(4-6-10)11-2-1
    -7-13-8-11/h1-8H,(H,14,15
    );
    GYUKEVKPDRXPAB-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)c2cccnc2; c1cc(cnc1)c2cc
    c(cc2)C(O)=O; c1cc(cnc1)c2ccc(cc2)C(=O)O    		 4-(pyridin-3-yl)benzoic acid
    32603
    PQN
    CHEMBL1550
    DB01022
    ZINC000003831332    		 375 C31 H46 O2 InChI=1S/C31H46O2/c1-22(2
    )12-9-13-23(3)14-10-15-24
    (4)16-11-17-25(5)20-21-27
    -26(6)30(32)28-18-7-8-19-
    29(28)31(27)33/h7-8,18-20
    ,22-24H,9-17,21H2,1-6H3/b
    25-20+/t23-,24-/m1/s1;
    MBWXNTAXLNYFJB-NKFFZRIASA-N    		 CC1=C(C(=O)c2ccccc2C1=O)CC=C(C)CCCC(C)CC
    CC(C)CCCC(C)C; O=C2c1c(cccc1)C(=O)C(=C2C
    )C\C=C(/C)CCCC(C)CCCC(C)CCCC(C)C; CC1=C(
    C(=O)c2ccccc2C1=O)C\C=C(/C)\CCC[C@H](C)C
    CC[C@H](C)CCCC(C)C; CC(C)CCC[CH](C)CCC[C
    H](C)CCCC(C)=CCC1=C(C)C(=O)c2ccccc2C1=O;
    CC(C)CCC[C@@H](C)CCC[C@@H](C)CCCC(/C)=C
    /CC1=C(C)C(=O)c2ccccc2C1=O    		 PHYLLOQUINONE;
    VITAMIN K1;
    2-METHYL-3-PHYTYL-1,4-NAPHTHOQUINONE
    32604
    PQO
    CHEMBL5268084    		 1 C6 H5 Br N2 O3 InChI=1S/C6H5BrN2O3/c7-3-
    1-2(10)5(11)4(9-3)6(8)12/
    h1,11H,(H2,8,12)(H,9,10);
    WVSCZJMUZSYCEH-UHFFFAOYSA-N    		 NC(=O)C1=C(O)C(=O)C=C(Br)N1; OC1=C(NC(Br
    )=CC1=O)C(N)=O; C1=C(NC(=C(C1=O)O)C(=O)N
    )Br    		 6-bromo-3-hydroxy-4-oxo-1,4-dihydropyridine-2-carboxamide
    32605
    PQP
    CHEMBL4543910
    ZINC000000158888    		 1 C10 H8 N2 O2 InChI=1S/C10H8N2O2/c13-10
    (14)8-1-3-9(4-2-8)12-6-5-
    11-7-12/h1-7H,(H,13,14);
    LFIDZIWWYNTQOQ-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)n2ccnc2; c1cc(ccc1C(=O)O
    )n2ccnc2; c1cn(cn1)c2ccc(C(O)=O)cc2    		 4-(1H-imidazol-1-yl)benzoic acid
    32606
    PQQ
    CHEMBL1235421
    DB03205
    ZINC000001532545    		 109 C14 H6 N2 O8 InChI=1S/C14H6N2O8/c17-10
    -4-2-6(14(23)24)15-8(4)7-
    3(12(19)20)1-5(13(21)22)1
    6-9(7)11(10)18/h1-2,15H,(
    H,19,20)(H,21,22)(H,23,24
    );
    MMXZSJMASHPLLR-UHFFFAOYSA-N    		 c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)
    C(=O)O)C(=O)O; OC(=O)c1[nH]c2c(c1)C(=O)C
    (=O)c3nc(cc(C(O)=O)c23)C(O)=O; O=C(O)c1c
    3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc
    23    		 PYRROLOQUINOLINE QUINONE
    32607
    PQR
    CHEMBL1256623
    ZINC000003870870    		 3 C7 H8 N2 O3 InChI=1S/C7H8N2O3/c1-9(8-
    12)5-2-3-6(10)7(11)4-5/h2
    -4,10-11H,1H3;
    XAKAQCMEMMZUEO-UHFFFAOYSA-N    		 O=NN(c1cc(O)c(O)cc1)C; CN(c1ccc(c(c1)O)O
    )N=O; CN(N=O)c1ccc(O)c(O)c1    		 4-[methyl(nitroso)amino]benzene-1,2-diol;
    Methyl-3,4-dephostatin
    32608
    PQS
    CHEMBL3542351
    ZINC000000338742    		 2 C12 H9 N O2 InChI=1S/C12H9NO2/c14-12(
    15)10-6-4-9(5-7-10)11-3-1
    -2-8-13-11/h1-8H,(H,14,15
    );
    AQIPNZHMXANQRC-UHFFFAOYSA-N    		 c1ccnc(c1)c2ccc(cc2)C(=O)O; OC(=O)c1ccc(
    cc1)c2ccccn2; c2(ccc(c1ccccn1)cc2)C(O)=O    		 4-(pyridin-2-yl)benzoic acid
    32609
    PQT
    ZINC000084499328    		 1 C11 H12 Cl N O2 InChI=1S/C11H12ClNO2/c12-
    9-3-1-2-4-10(9)13-6-5-8(7
    -13)11(14)15/h1-4,8H,5-7H
    2,(H,14,15)/t8-/m1/s1;
    FPGYADRKFPWWLU-MRVPVSSYSA-N    		 OC(=O)[CH]1CCN(C1)c2ccccc2Cl; c1ccc(c(c1
    )N2CCC(C2)C(=O)O)Cl; c1ccc(c(c1)N2CC[C@H
    ](C2)C(=O)O)Cl; OC(=O)[C@@H]1CCN(C1)c2cc
    ccc2Cl    		 (3~{R})-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
    32610
    PQU    		 3 C21 H17 N3 O4 InChI=1S/C21H17N3O4/c1-21
    (15-12-13-18(22-14-15)27-
    17-10-6-3-7-11-17)19(25)2
    4(20(26)28-21)23-16-8-4-2
    -5-9-16/h2-14,23H,1H3/t21
    -/m0/s1;
    QOFLFGUNPBNKDO-NRFANRHFSA-N    		 CC1(OC(=O)N(Nc2ccccc2)C1=O)c1cnc(Oc2cccc
    c2)cc1; CC1(C(=O)N(C(=O)O1)Nc2ccccc2)c3c
    cc(nc3)Oc4ccccc4; C[C]1(OC(=O)N(Nc2ccccc
    2)C1=O)c3ccc(Oc4ccccc4)nc3; C[C@@]1(C(=O
    )N(C(=O)O1)Nc2ccccc2)c3ccc(nc3)Oc4ccccc4
    ; C[C@]1(OC(=O)N(Nc2ccccc2)C1=O)c3ccc(Oc
    4ccccc4)nc3    		 (5S)-3-anilino-5-methyl-5-(6-phenoxypyridin-3-yl)-1,3-oxazolidine-2,4-dione
    32611
    PQV
    ZINC000013957020    		 4 C10 H19 N3 O2 InChI=1S/C10H19N3O2/c14-1
    0(9-12-15)11-5-8-13-6-3-1
    -2-4-7-13/h9,15H,1-8H2,(H
    ,11,14)/b12-9+;
    VIABFASHQHHYNB-FMIVXFBMSA-N    		 C1CCCN(CC1)CCNC(=O)C=NO; C1CCCN(CC1)CCNC
    (=O)/C=N/O; ON=CC(=O)NCCN1CCCCCC1; O/N=C
    /C(=O)NCCN1CCCCCC1; C1N(CCCCC1)CCNC(\C=N
    \O)=O    		 (2E)-N-[2-(azepan-1-yl)ethyl]-2-(hydroxyimino)acetamide
    32612
    PQW
    CHEMBL3327299
    ZINC000098209317    		 5 C27 H27 N5 O2 S2 InChI=1S/C27H27N5O2S2/c28
    -26(24-6-2-12-35-24)31-18
    -8-10-21(11-9-18)33-17-20
    -15-23(16-30-20)34-22-5-1
    -4-19(14-22)32-27(29)25-7
    -3-13-36-25/h1-14,20,23,3
    0H,15-17H2,(H2,28,31)(H2,
    29,32)/t20-,23+/m0/s1;
    MVLJJSCAHWVTFO-NZQKXSOJSA-N    		 NC(=Nc1ccc(OC[CH]2C[CH](CN2)Oc3cccc(NC(=
    N)c4sccc4)c3)cc1)c5sccc5; c1cc(cc(c1)OC2
    CC(NC2)COc3ccc(cc3)N=C(c4cccs4)N)NC(=N)c
    5cccs5; N(/c4ccc(OCC3NCC(Oc2cccc(NC(=[N@
    H])c1sccc1)c2)C3)cc4)=C(\N)c5sccc5; [H]/
    N=C(/c1cccs1)\Nc2cccc(c2)O[C@@H]3C[C@H](
    NC3)COc4ccc(cc4)N=C(c5cccs5)N; NC(=Nc1cc
    c(OC[C@@H]2C[C@H](CN2)Oc3cccc(NC(=N)c4sc
    cc4)c3)cc1)c5sccc5    		 N'-[4-[[(2S,4R)-4-[3-[(C-thiophen-2-ylcarbonimidoyl)amino]phenoxy]pyrrolidin-2-yl]methoxy]phenyl]thiophene-2-carboximidamide
    32613
    PQX    		 0 C18 H21 N O2 InChI=1S/C18H21NO2/c1-13(
    19-11-9-15(10-12-19)18(20
    )21)16-8-4-6-14-5-2-3-7-1
    7(14)16/h2-8,13,15H,9-12H
    2,1H3,(H,20,21)/t13-/m1/s
    1;
    KGMWLBRRSONKQK-CYBMUJFWSA-N    		 CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)O; C[CH
    ](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@@
    H](N1CCC(CC1)C(O)=O)c2cccc3ccccc23; C[C@
    H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)O    		 1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxylic acid
    32614
    PQY    		 1 C13 H24 N6 O4 InChI=1S/C13H24N6O4/c20-1
    2(10-16-22)14-2-6-18-4-1-
    5-19(9-8-18)7-3-15-13(21)
    11-17-23/h10-11,22-23H,1-
    9H2,(H,14,20)(H,15,21)/b1
    6-10+,17-11+;
    DFNMYOZHKNITMF-OTYYAQKOSA-N    		 O\N=C\C(=O)NCCN1CCCN(CCNC(=O)\C=N\O)CC1;
    N1(CCNC(\C=N\O)=O)CCN(CCNC([C@H]=NO)=O)
    CCC1; C1CN(CCN(C1)CCNC(=O)C=NO)CCNC(=O)C
    =NO; C1CN(CCN(C1)CCNC(=O)/C=N/O)CCNC(=O)
    /C=N/O; ON=CC(=O)NCCN1CCCN(CCNC(=O)C=NO)
    CC1    		 (2E,2'E)-N,N'-[1,4-diazepane-1,4-diyldi(ethane-2,1-diyl)]bis[2-(hydroxyimino)acetamide]
    32615
    PQZ
    CHEMBL4647574
    ZINC000022212771    		 1 C11 H15 N O2 InChI=1S/C11H15NO2/c1-7-5
    -10(11(13)14)8(2)12(7)6-9
    -3-4-9/h5,9H,3-4,6H2,1-2H
    3,(H,13,14);
    IRPSDSAYDMWHCN-UHFFFAOYSA-N    		 Cc1cc(C(O)=O)c(C)n1CC2CC2; Cc1cc(c(n1CC2
    CC2)C)C(=O)O    		 1-(cyclopropylmethyl)-2,5-dimethyl-pyrrole-3-carboxylic acid
    32616
    PR    		 2 Pr InChI=1S/Pr/q+3;
    WCWKKSOQLQEJTE-UHFFFAOYSA-N    		 [Pr+3] PRASEODYMIUM ION
    32617
    PR0    		 0 C10 H15 N O InChI=1S/C10H15NO/c1-8(12
    )10(11)7-9-5-3-2-4-6-9/h2
    -6,8,10,12H,7,11H2,1H3/t8
    -,10+/m1/s1;
    SMZUMFSKQVVOOV-SCZZXKLOSA-N    		 CC(C(Cc1ccccc1)N)O; C[C@H]([C@H](Cc1cccc
    c1)N)O; C[CH](O)[CH](N)Cc1ccccc1; C[C@@H
    ](O)[C@@H](N)Cc1ccccc1; OC(C(N)Cc1ccccc1
    )C    		 3(S)-AMINO-4-PHENYL-BUTAN-2(R)-OL
    32618
    PR1
    CHEMBL330572
    DB02744
    ZINC000003873901    		 1 C19 H19 N5 O4 S2 InChI=1S/C19H19N5O4S2/c20
    -18(21)11-3-4-15(25)12(8-
    11)10-24-7-5-13(19(24)26)
    23-30(27,28)17-9-14-16(29
    -17)2-1-6-22-14/h1-4,6,8-
    9,13,23,25H,5,7,10H2,(H3,
    20,21)/t13-/m0/s1;
    PQJGWYQPOHCEDO-ZDUSSCGKSA-N    		 NC(=N)c1ccc(O)c(CN2CC[CH](N[S](=O)(=O)c3
    sc4cccnc4c3)C2=O)c1; c1cc2c(cc(s2)S(=O)(
    =O)NC3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; O
    =C2N(Cc1cc(C(=[N@H])N)ccc1O)CCC2NS(=O)(=
    O)c4sc3cccnc3c4; c1cc2c(cc(s2)S(=O)(=O)N
    [C@H]3CCN(C3=O)Cc4cc(ccc4O)C(=N)N)nc1; N
    C(=N)c1ccc(O)c(CN2CC[C@H](N[S](=O)(=O)c3
    sc4cccnc4c3)C2=O)c1    		 4-HYDROXY-3-[2-OXO-3-(THIENO[3,2-B]PYRIDINE-2-SULFONYLAMINO)-PYRROLIDIN-1-YLMETHYL]-BENZAMIDINE;
    RPR131247
    32619
    PR2
    CHEMBL1235423
    DB08426
    ZINC000003815573    		 1 C19 H17 N5 O3 S2 InChI=1S/C19H17N5O3S2/c25
    -19-14(23-29(26,27)18-9-1
    5-17(28-18)2-1-5-21-15)4-
    7-24(19)11-13-8-12-3-6-20
    -10-16(12)22-13/h1-3,5-6,
    8-10,14,22-23H,4,7,11H2/t
    14-/m0/s1;
    PLXOQMHGHDZMSX-AWEZNQCLSA-N    		 c1cc2c(cc(s2)S(=O)(=O)NC3CCN(C3=O)Cc4cc5
    ccncc5[nH]4)nc1; O=C1[C@H](CCN1Cc2[nH]c3
    cnccc3c2)N[S](=O)(=O)c4sc5cccnc5c4; O=C3
    N(Cc2cc1ccncc1n2)CCC3NS(=O)(=O)c5sc4cccn
    c4c5; c1cc2c(cc(s2)S(=O)(=O)N[C@H]3CCN(C
    3=O)Cc4cc5ccncc5[nH]4)nc1; O=C1[CH](CCN1
    Cc2[nH]c3cnccc3c2)N[S](=O)(=O)c4sc5cccnc
    5c4    		 THIENO[3,2-B]PYRIDINE-2-SULFONIC ACID [2-OXO-1-(1H-PYRROLO[2,3-C]PYRIDIN-2-YLMETHYL)-PYRROLIDIN-3-YL]-AMIDE;
    RPR208707
    32620
    PR3
    DB03654
    ZINC000053684033    		 0 C6 H13 N O S2 InChI=1S/C6H13NOS2/c1-2-3
    -9-10-5-6(7)4-8/h4,6H,2-3
    ,5,7H2,1H3/t6-/m1/s1;
    JOUZYBMKOXDVCY-ZCFIWIBFSA-N    		 CCCSSCC(C=O)N; CCCSSC[C@H](N)C=O; O=CC(N
    )CSSCCC; CCCSSC[CH](N)C=O; CCCSSC[C@@H](
    C=O)N    		 S,S-PROPYLTHIOCYSTEINE
    32621
    PR4
    ZINC000058638492    		 0 C8 H13 N O5 InChI=1S/C8H13NO5/c10-6(8
    (13)14)4-9-3-1-2-5(9)7(11
    )12/h5-6,10H,1-4H2,(H,11,
    12)(H,13,14)/t5-,6+/m0/s1;
    VWTJOUUXTYKUIB-NTSWFWBYSA-N    		 C1C[C@H]([N@@](C1)C[C@H](C(=O)O)O)C(=O)O
    ; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O=C(O)C(
    O)CN1C(C(=O)O)CCC1; O[C@H](CN1CCC[C@H]1C
    (O)=O)C(O)=O; O[CH](CN1CCC[CH]1C(O)=O)C(
    O)=O    		 1-[(2R)-2-carboxy-2-hydroxyethyl]-L-proline
    32622
    PR5    		 0 C10 H13 N4 O7 P InChI=1/C10H13N4O7P/c15-7
    -6(2-20-22(17,18)19)21-10
    (8(7)16)14-4-13-5-1-11-3-
    12-9(5)14/h1,3-4,6-8,10,1
    5-16H,2H2,(H2,17,18,19)/t
    6-,7-,8-,10-/m1/s1/f/h17-
    18H;
    MCWDCZIDTUQRHK-DUAZENTCDO    		 c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@
    H](O3)COP(=O)(O)O)O)O; O[CH]1[CH](O)[CH]
    (O[CH]1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2
    c(ncn1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)n2cnc3cncnc23; O=P(O)(O)OCC3OC(n2c
    nc1cncnc12)C(O)C3O    		 PURINE RIBOSIDE-5'-MONOPHOSPHATE
    32623
    PR6    		 10 C3 H3 Cl O3 InChI=1S/C3H3ClO3/c4-2(5)
    1-3(6)7/h1H2,(H,6,7);
    UUOFSRVHZJTWDE-UHFFFAOYSA-N    		 C(C(=O)O)C(=O)Cl; OC(=O)CC(Cl)=O; ClC(=O
    )CC(=O)O    		 3-chloro-3-oxopropanoic acid
    32624
    PR7
    ZINC000066166270    		 0 C8 H13 N O5 InChI=1S/C8H13NO5/c10-6(8
    (13)14)4-9-3-1-2-5(9)7(11
    )12/h5-6,10H,1-4H2,(H,11,
    12)(H,13,14)/t5-,6-/m0/s1;
    VWTJOUUXTYKUIB-WDSKDSINSA-N    		 C1C[C@H]([N@@](C1)C[C@@H](C(=O)O)O)C(=O)
    O; C1CC(N(C1)CC(C(=O)O)O)C(=O)O; O[C@@H]
    (CN1CCC[C@H]1C(O)=O)C(O)=O; O=C(O)C(O)CN
    1C(C(=O)O)CCC1; O[CH](CN1CCC[CH]1C(O)=O)
    C(O)=O    		 1-[(2S)-2-carboxy-2-hydroxyethyl]-L-proline
    32625
    PR8
    ZINC000058660594    		 3 C15 H21 N6 O8 P InChI=1S/C15H21N6O8P/c16-
    12-9-13(19-5-18-12)21(6-2
    0-9)14-11(23)10(22)8(28-1
    4)4-27-30(25,26)29-15(24)
    7-2-1-3-17-7/h5-8,10-11,1
    4,17,22-23H,1-4H2,(H,25,2
    6)(H2,16,18,19)/t7-,8+,10
    +,11+,14+/m0/s1;
    KQFKHTAASHMYDJ-TWBCTODHSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    C(=O)C4CCCN4)O)O)N; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O
    )OC(=O)[C@@H]4CCCN4)O)O)N; Nc1ncnc2n(cnc
    12)[C@@H]3O[C@H](CO[P](O)(=O)OC(=O)[C@@H
    ]4CCCN4)[C@@H](O)[C@H]3O; Nc1ncnc2n(cnc1
    2)[CH]3O[CH](CO[P](O)(=O)OC(=O)[CH]4CCCN
    4)[CH](O)[CH]3O; O=P(OC(=O)C1NCCC1)(O)OC
    C4OC(n3cnc2c(ncnc23)N)C(O)C4O    		 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine;
    prolyl-adenylate
    32626
    PR9
    ZINC000000391899    		 0 C5 H10 N2 O InChI=1S/C5H10N2O/c6-5(8)
    4-2-1-3-7-4/h4,7H,1-3H2,(
    H2,6,8)/t4-/m1/s1;
    VLJNHYLEOZPXFW-SCSAIBSYSA-N    		 NC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)N; C1C[C
    @@H](NC1)C(=O)N; NC(=O)[C@H]1CCCN1; O=C(
    N)C1NCCC1    		 D-PROLINAMIDE
    32627
    PRA
    CHEMBL276864
    DB04410
    ZINC000001561633    		 6 C9 H13 N InChI=1S/C9H13N/c10-8-4-7
    -9-5-2-1-3-6-9/h1-3,5-6H,
    4,7-8,10H2;
    LYUQWQRTDLVQGA-UHFFFAOYSA-N    		 C(CCc1ccccc1)N; c1ccc(cc1)CCCN; NCCCc1cc
    ccc1    		 3-PHENYLPROPYLAMINE
    32628
    PRB
    CHEMBL1235429
    DB04376
    ZINC000013521034    		 1 C22 H30 O7 InChI=1S/C22H30O7/c1-10-6
    -15-20(27,17(10)25)8-13(9
    -23)7-14-16-19(4,5)22(16,
    29-12(3)24)18(26)11(2)21(
    14,15)28/h6-7,11,14-16,18
    ,23,26-28H,8-9H2,1-5H3/t1
    1-,14+,15-,16-,18-,20-,21
    -,22-/m1/s1;
    SDSVJYOOAPRSDA-RPCQODIISA-N    		 CC1C(C2(C(C2(C)C)C3C1(C4C=C(C(=O)C4(CC(=
    C3)CO)O)C)O)OC(=O)C)O; C[CH]1[CH](O)[C]2
    (OC(C)=O)[CH]([CH]3C=C(CO)C[C]4(O)[CH](C
    =C(C)C4=O)[C]13O)C2(C)C; C[C@@H]1[C@@H](
    O)[C@]2(OC(C)=O)[C@H]([C@@H]3C=C(CO)C[C@
    @]4(O)[C@@H](C=C(C)C4=O)[C@@]13O)C2(C)C;
    C[C@@H]1[C@H]([C@@]2([C@@H](C2(C)C)[C@H
    ]3[C@]1([C@@H]4C=C(C(=O)[C@]4(CC(=C3)CO)
    O)C)O)OC(=O)C)O; O=C1C(=CC2C3(O)C(C)C(O)
    C4(OC(=O)C)C(C3C=C(CO)CC12O)C4(C)C)C    		 13-ACETYLPHORBOL
    32629
    PRC
    DB03878
    ZINC000008656718    		 2 C22 H18 N6 O InChI=1S/C22H18N6O/c1-15-
    6-7-18(26-21(29)17-5-3-10
    -24-14-17)12-20(15)28-22-
    25-11-8-19(27-22)16-4-2-9
    -23-13-16/h2-14H,1H3,(H,2
    6,29)(H,25,27,28);
    YWQVBESSYLICRX-UHFFFAOYSA-N    		 Cc1ccc(NC(=O)c2cccnc2)cc1Nc3nccc(n3)c4cc
    cnc4; O=C(c1cccnc1)Nc2cc(c(cc2)C)Nc3nc(c
    cn3)c4cccnc4; Cc1ccc(cc1Nc2nccc(n2)c3ccc
    nc3)NC(=O)c4cccnc4    		 N-[4-METHYL-3-[[4-(3-PYRIDINYL)-2-PYRIMIDINYL]AMINO]PHENYL]-3-PYRIDINECARBOXAMIDE
    32630
    PRD
    CHEMBL32113
    DB02583    		 1 C17 H20 N6 O2 InChI=1S/C17H20N6O2/c1-23
    (9-10-6-12(24-2)4-5-14(10
    )25-3)11-7-13-15(18)21-17
    (19)22-16(13)20-8-11/h4-8
    H,9H2,1-3H3,(H4,18,19,20,
    21,22);
    HZTFNSCZLJLPEO-UHFFFAOYSA-N    		 C[N@](Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3nc2)N
    )N; n1cc(cc2c1nc(nc2N)N)N(Cc3cc(OC)ccc3O
    C)C; COc1ccc(OC)c(CN(C)c2cnc3nc(N)nc(N)c
    3c2)c1; CN(Cc1cc(ccc1OC)OC)c2cc3c(nc(nc3
    nc2)N)N    		 N6-(2,5-DIMETHOXY-BENZYL)-N6-METHYL-PYRIDO[2,3-D]PYRIMIDINE-2,4,6-TRIAMINE
    32631
    PRE
    DB08427
    ZINC000100036740    		 31 C10 H10 O6 InChI=1S/C10H10O6/c11-6-1
    -3-10(4-2-6,9(15)16)5-7(1
    2)8(13)14/h1-4,6,11H,5H2,
    (H,13,14)(H,15,16)/t6-,10
    +;
    FPWMCUPFBRFMLH-XGAOUMNUSA-N    		 O=C(C(=O)O)CC1(C=CC(O)C=C1)C(=O)O; C1=CC
    (C=CC1O)(CC(=O)C(=O)O)C(=O)O; O[C@H]1C=C
    [C@](CC(=O)C(O)=O)(C=C1)C(O)=O; O[CH]1C=
    C[C](CC(=O)C(O)=O)(C=C1)C(O)=O    		 PREPHENIC ACID
    32632
    PRF
    CHEMBL1235432
    DB03304
    ZINC000003869370    		 23 C7 H9 N5 O InChI=1S/C7H9N5O/c8-1-3-2
    -10-5-4(3)6(13)12-7(9)11-
    5/h2H,1,8H2,(H4,9,10,11,1
    2,13);
    MEYMBLGOKYDGLZ-UHFFFAOYSA-N    		 NCc1c[nH]c2N=C(N)NC(=O)c12; c1c(c2c([nH]
    1)N=C(NC2=O)N)CN; O=C1c2c(cnc2N=C(N1)N)C
    N    		 7-DEAZA-7-AMINOMETHYL-GUANINE
    32633
    PRH
    DB03015    		 6 C10 H15 N4 O5 InChI=1S/C10H14N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2-4,6-7,9-10,15-18H,1H2
    ,(H,11,12)/p+1/t4-,6-,7-,
    9+,10-/m1/s1;
    WGRXVKRHIMUTPD-YOHZANMFSA-O    		 c1[nH+]c2c(n1[C@H]3[C@@H]([C@@H]([C@H](O
    3)CO)O)O)N=CN[C@H]2O; OC[C@H]1O[C@H]([C@
    H](O)[C@@H]1O)n2c[nH+]c3[C@H](O)NC=Nc23;
    OC1c2[nH+]cn(c2N=CN1)C3OC(C(O)C3O)CO; c
    1[nH+]c2c(n1C3C(C(C(O3)CO)O)O)N=CNC2O; O
    C[CH]1O[CH]([CH](O)[CH]1O)n2c[nH+]c3[CH]
    (O)NC=Nc23    		 6-HYDROXY-1,6-DIHYDRO PURINE NUCLEOSIDE
    32634
    PRI
    ZINC000005849612    		 4 C5 H9 N O InChI=1S/C5H9NO/c7-4-5-2-
    1-3-6-5/h4-6H,1-3H2/t5-/m
    0/s1;
    JIDDDPVQQUHACU-YFKPBYRVSA-N    		 C1CC(NC1)C=O; O=C[CH]1CCCN1; C1C[C@H](NC
    1)C=O; O=CC1NCCC1; O=C[C@@H]1CCCN1    		 PYRROLIDINE-2-CARBALDEHYDE;
    PROLINOL
    32635
    PRJ    		 0 C9 H15 N O3 InChI=1S/C9H15NO3/c11-6-2
    -1-5-3-8(9(12)13)10-7(5)4
    -6/h5-8,10-11H,1-4H2,(H,1
    2,13)/t5-,6+,7-,8-/m0/s1;
    LKYGWJKCHDDFLW-YWIQKCBGSA-N    		 O[CH]1CC[CH]2C[CH](N[CH]2C1)C(O)=O; C1C[
    C@H](C[C@H]2[C@@H]1C[C@H](N2)C(=O)O)O; O
    [C@@H]1CC[C@H]2C[C@H](N[C@H]2C1)C(O)=O;
    O=C(O)C1NC2CC(O)CCC2C1; C1CC(CC2C1CC(N2)
    C(=O)O)O    		 (2S,3aS,6R,7aS)-6-hydroxyoctahydro-1H-indole-2-carboxylic acid
    32636
    PRK
    ZINC000013545298    		 0 C9 H18 N2 O3 InChI=1S/C9H18N2O3/c1-2-8
    (12)11-6-4-3-5-7(10)9(13)
    14/h7H,2-6,10H2,1H3,(H,11
    ,12)(H,13,14)/t7-/m0/s1;
    PCANIHQHQYUJPY-ZETCQYMHSA-N    		 CCC(=O)NCCCCC(C(=O)O)N; O=C(O)C(N)CCCCNC
    (=O)CC; CCC(=O)NCCCC[C@@H](C(=O)O)N; CCC
    (=O)NCCCC[CH](N)C(O)=O; CCC(=O)NCCCC[C@H
    ](N)C(O)=O    		 N~6~-propanoyl-L-lysine;
    N(6)-Propionyllysine
    32637
    PRL
    CHEMBL55400
    DB01123
    ZINC000003775644    		 14 C13 H11 N3 InChI=1S/C13H11N3/c14-10-
    3-1-8-5-9-2-4-11(15)7-13(
    9)16-12(8)6-10/h1-7H,14-1
    5H2;
    WDVSHHCDHLJJJR-UHFFFAOYSA-N    		 n1c3c(cc2c1cc(N)cc2)ccc(c3)N; Nc1ccc2cc3
    ccc(N)cc3nc2c1; c1cc(cc2c1cc3ccc(cc3n2)N
    )N    		 PROFLAVIN
    32638
    PRM
    CHEMBL332935
    DB02166
    ZINC000000622264    		 3 C27 H34 N4 InChI=1S/C27H33N4/c1-4-31
    (3,5-2)17-9-16-30-26-19-2
    2(29)13-15-24(26)23-14-12
    -21(28)18-25(23)27(30)20-
    10-7-6-8-11-20/h6-8,10-15
    ,18-19,29H,4-5,9,16-17,28
    H2,1-3H3/q+1/p+1;
    ZDWVWKDAWBGPDN-UHFFFAOYSA-O    		 CC[N+](C)(CC)CCC[n+]1c2cc(ccc2c3ccc(cc3c
    1c4ccccc4)N)N; CC[N+](C)(CC)CCC[n+]1c2cc
    (N)ccc2c3ccc(N)cc3c1c4ccccc4; c4c3c1ccc(
    cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)
    (CC)C)N    		 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM;
    PROPIDIUM
    32639
    PRN
    ZINC000033422238    		 0 C10 H13 N4 O6 P InChI=1S/C10H13N4O6P/c15-
    7-1-9(20-8(7)3-19-21(16,1
    7)18)14-5-13-6-2-11-4-12-
    10(6)14/h2,4-5,7-9,15H,1,
    3H2,(H2,16,17,18)/t7-,8+,
    9+/m0/s1;
    OQIJGDJDESHELC-DJLDLDEBSA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3cncnc23; O=P(O)(O)OCC3OC(n2cnc1cncnc1
    2)CC3O; c1c2c(ncn1)n(cn2)[C@H]3C[C@@H]([
    C@H](O3)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]
    1CO[P](O)(O)=O)n2cnc3cncnc23; c1c2c(ncn1
    )n(cn2)C3CC(C(O3)COP(=O)(O)O)O    		 PURINE 2'-DEOXYRIBO-5'-MONOPHOSPHATE
    32640
    PRO
    CHEMBL54922
    DB00172
    ZINC000000895360    		 375 C5 H9 N O2 InChI=1S/C5H9NO2/c7-5(8)4
    -2-1-3-6-4/h4,6H,1-3H2,(H
    ,7,8)/t4-/m0/s1;
    ONIBWKKTOPOVIA-BYPYZUCNSA-N    		 C1C[C@H](NC1)C(=O)O; OC(=O)[C@@H]1CCCN1;
    OC(=O)[CH]1CCCN1; C1CC(NC1)C(=O)O; O=C(
    O)C1NCCC1    		 PROLINE
    32641
    PRP
    DB01632
    ZINC000008215630    		 208 C5 H13 O14 P3 InChI=1S/C5H13O14P3/c6-3-
    2(1-16-20(8,9)10)17-5(4(3
    )7)18-22(14,15)19-21(11,1
    2)13/h2-7H,1H2,(H,14,15)(
    H2,8,9,10)(H2,11,12,13)/t
    2-,3-,4-,5-/m1/s1;
    PQGCEDQWHSBAJP-TXICZTDVSA-N    		 C(C1C(C(C(O1)OP(=O)(O)OP(=O)(O)O)O)O)OP(
    =O)(O)O; C([C@@H]1[C@H]([C@H]([C@H](O1)O
    [P@@](=O)(O)OP(=O)(O)O)O)O)OP(=O)(O)O; O
    [CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P
    ](O)(=O)O[P](O)(O)=O; O=P(OC1OC(C(O)C1O)
    COP(=O)(O)O)(O)OP(=O)(O)O; O[C@H]1[C@@H]
    (O)[C@H](O[C@@H]1CO[P](O)(O)=O)O[P@](O)(
    =O)O[P](O)(O)=O    		 1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose;
    ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID;
    1-O-pyrophosphono-5-O-phosphono-alpha-D-ribose;
    1-O-pyrophosphono-5-O-phosphono-D-ribose;
    1-O-pyrophosphono-5-O-phosphono-ribose
    32642
    PRQ
    ZINC000000161426    		 0 C9 H10 N2 O4 InChI=1S/C9H10N2O4/c10-7(
    5-9(12)13)6-3-1-2-4-8(6)1
    1(14)15/h1-4,7H,5,10H2,(H
    ,12,13)/t7-/m0/s1;
    XXBOYULKNZTOMN-ZETCQYMHSA-N    		 c1ccc(c(c1)C(CC(=O)O)N)[N+](=O)[O-]; c1c
    cc(c(c1)[C@H](CC(=O)O)N)[N+](=O)[O-]; N[
    C@@H](CC(O)=O)c1ccccc1[N+]([O-])=O; N[CH
    ](CC(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+]
    (=O)c1ccccc1C(N)CC(=O)O    		 (3S)-3-amino-3-(2-nitrophenyl)propanoic acid
    32643
    PRR
    ZINC000006933184    		 0 C9 H13 N2 O2 InChI=1S/C9H12N2O2/c1-11-
    4-2-3-7(6-11)5-8(10)9(12)
    13/h2-4,6,8H,5,10H2,1H3/p
    +1/t8-/m0/s1;
    KGWLTLVMGZDZJW-QMMMGPOBSA-O    		 C[n+]1cccc(C[CH](N)C(O)=O)c1; C[n+]1cccc
    (C[C@H](N)C(O)=O)c1; C[n+]1cccc(c1)C[C@@
    H](C(=O)O)N; C[n+]1cccc(c1)CC(C(=O)O)N;
    O=C(O)C(N)Cc1ccc[n+](c1)C    		 3-(METHYL-PYRIDINIUM)ALANINE
    32644
    PRS
    CHEMBL1235440
    DB02846
    ZINC000000967473    		 3 C4 H7 N O2 S InChI=1S/C4H7NO2S/c6-4(7)
    3-1-8-2-5-3/h3,5H,1-2H2,(
    H,6,7)/t3-/m0/s1;
    DZLNHFMRPBPULJ-VKHMYHEASA-N    		 C1[C@H](NCS1)C(=O)O; OC(=O)[C@@H]1CSCN1;
    OC(=O)[CH]1CSCN1; O=C(O)C1NCSC1; C1C(NC
    S1)C(=O)O    		 THIOPROLINE
    32645
    PRT    		 6 C15 H25 N5 O20 P4 InChI=1S/C15H25N5O20P4/c1
    6-12-7-13(18-4-19(12)14-1
    0(23)8(21)5(37-14)1-35-41
    (25,26)27)20(3-17-7)15-11
    (24)9(22)6(38-15)2-36-43(
    31,32)40-44(33,34)39-42(2
    8,29)30/h3-6,8-11,14-16,2
    1-24H,1-2H2,(H,31,32)(H,3
    3,34)(H2,25,26,27)(H2,28,
    29,30)/b16-12-/t5-,6-,8-,
    9-,10-,11-,14-,15-/m1/s1;
    RKNHJBVBFHDXGR-DNVSJNHSSA-N    		 [H]/N=C\1/c2c(n(cn2)[C@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
    )O)N=CN1[C@H]4[C@@H]([C@@H]([C@H](O4)COP
    (=O)(O)O)O)O; c1nc2c(n1C3C(C(C(O3)COP(=O
    )(O)OP(=O)(O)OP(=O)(O)O)O)O)N=CN(C2=N)C4
    C(C(C(O4)COP(=O)(O)O)O)O; O[CH]1[CH](O)[
    CH](O[CH]1CO[P](O)(O)=O)N2C=Nc3n(cnc3C2=
    N)[CH]4O[CH](CO[P](O)(=O)O[P](O)(=O)O[P]
    (O)(O)=O)[CH](O)[CH]4O; O[C@H]1[C@@H](O)
    [C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=Nc3n(cn
    c3C2=N)[C@@H]4O[C@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)[C@@H](O)[C@H]4O    		 PHOSPHORIBOSYL ATP ;
    [[(2~{R},3~{S},4~{R},5~{R})-5-[6-azanylidene-1-[(2~{R},3~{R},4~{S},5~{R})-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    32646
    PRU
    ZINC000039958480    		 2 C12 H18 O8 InChI=1S/C12H18O8/c1-6(10
    (15)16)4-8(12(19)20)5-7(1
    1(17)18)2-3-9(13)14/h6-8H
    ,2-5H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)/t6
    -,7-,8-/m1/s1;
    UEYGDIASMOPQFG-BWZBUEFSSA-N    		 CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;
    O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C;
    C[CH](C[CH](C[CH](CCC(O)=O)C(O)=O)C(O)=O
    )C(O)=O; C[C@H](C[C@H](C[C@@H](CCC(O)=O)
    C(O)=O)C(O)=O)C(O)=O; C[C@H](C[C@H](C[C@
    @H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O    		 (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid;
    Polyacrylic acid
    32647
    PRV
    ZINC000026894896    		 0 C8 H8 N2 O4 InChI=1S/C8H8N2O4/c9-7(8(
    11)12)5-3-1-2-4-6(5)10(13
    )14/h1-4,7H,9H2,(H,11,12)
    /t7-/m1/s1;
    CEBXNGWSHWJBHX-SSDOTTSWSA-N    		 N[CH](C(O)=O)c1ccccc1[N+]([O-])=O; N[C@@
    H](C(O)=O)c1ccccc1[N+]([O-])=O; [O-][N+]
    (=O)c1ccccc1C(N)C(=O)O; c1ccc(c(c1)C(C(=
    O)O)N)[N+](=O)[O-]; c1ccc(c(c1)[C@H](C(=
    O)O)N)[N+](=O)[O-]    		 (2R)-amino(2-nitrophenyl)ethanoic acid;
    2-(NITRO)PHENYLGLYCINE
    32648
    PRW    		 0 C4 H9 N O4 InChI=1S/C4H9NO4/c5-1-2(6
    )3(7)4(8)9/h2-3,6-7H,1,5H
    2,(H,8,9)/t2-,3-/m1/s1;
    WITVYMTUWTVRND-PWNYCUMCSA-N    		 O=C(O)C(O)C(O)CN; C([C@H]([C@H](C(=O)O)O
    )O)N; NC[CH](O)[CH](O)C(O)=O; C(C(C(C(=O
    )O)O)O)N; NC[C@@H](O)[C@@H](O)C(O)=O    		 (2R,3R)-4-AMINO-2,3-DIHYDROXYBUTANOIC ACID
    32649
    PRX
    DB03230
    ZINC000015894146    		 31 C13 H20 N5 O7 P InChI=1S/C13H20N5O7P/c1-2
    -3-23-26(21,22)24-4-7-9(1
    9)10(20)13(25-7)18-6-17-8
    -11(14)15-5-16-12(8)18/h5
    -7,9-10,13,19-20H,2-4H2,1
    H3,(H,21,22)(H2,14,15,16)
    /t7-,9-,10-,13-/m1/s1;
    XAMXMSZRQHPMRX-QYVSTXNMSA-N    		 CCCOP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)
    O)O; CCCO[P](O)(=O)OC[C@H]1O[C@H]([C@H](
    O)[C@@H]1O)n2cnc3c(N)ncnc23; OC1C(OC(COP
    (=O)(O)OCCC)C1O)n2cnc3c2ncnc3N; CCCO[P@@
    ](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)O)O; CCCO[P](O)(=O)OC[CH]1
    O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 ADENOSINE-5'-MONOPHOSPHATE-PROPYL ESTER;
    ADENOSINE-5'-PROPYLPHOSPHATE
    32650
    PRY
    DB02970
    ZINC000002039219    		 1 C9 H13 N InChI=1S/C9H13N/c1-2-5-8-
    6-3-4-7-9(8)10/h3-4,6-7H,
    2,5,10H2,1H3;
    WKURVXXDGMYSDP-UHFFFAOYSA-N    		 CCCc1ccccc1N; Nc1ccccc1CCC 2-PROPYL-ANILINE
    32651
    PRZ
    CHEMBL97355
    DB04512
    ZINC000000156517    		 8 C9 H14 N2 O InChI=1S/C9H14N2O/c1-7(2)
    6-8-9(12-3)11-5-4-10-8/h4
    -5,7H,6H2,1-3H3;
    UXFSPRAGHGMRSQ-UHFFFAOYSA-N    		 O(c1nccnc1CC(C)C)C; CC(C)Cc1c(nccn1)OC;
    COc1nccnc1CC(C)C    		 2-ISOBUTYL-3-METHOXYPYRAZINE
    32652
    PS0    		 0 C10 H15 N O InChI=1S/C10H15NO/c1-8(12
    )10(11)7-9-5-3-2-4-6-9/h2
    -6,8,10,12H,7,11H2,1H3/t8
    -,10-/m0/s1;
    SMZUMFSKQVVOOV-WPRPVWTQSA-N    		 CC(C(Cc1ccccc1)N)O; C[C@@H]([C@H](Cc1ccc
    cc1)N)O; C[CH](O)[CH](N)Cc1ccccc1; OC(C(
    N)Cc1ccccc1)C; C[C@H](O)[C@@H](N)Cc1cccc
    c1    		 3(S)-AMINO-4-PHENYL-BUTAN-2(S)-OL
    32653
    PS1    		 3 C26 H49 N O10 P InChI=1S/C26H50NO10P/c1-3
    -5-7-9-11-13-15-17-24(28)
    34-19-22(20-35-38(32,33)3
    6-21-23(27)26(30)31)37-25
    (29)18-16-14-12-10-8-6-4-
    2/h22-23H,3-21,27H2,1-2H3
    ,(H,30,31)(H,32,33)/p-1/t
    22-,23+/m1/s1;
    LRIPXDCMGANCAE-PKTZIBPZSA-M    		 CCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OC[
    C@H](N)C(O)=O)OC(=O)CCCCCCCCC; O=C(OCC(O
    C(=O)CCCCCCCCC)COP([O-])(=O)OCC(N)C(=O)O
    )CCCCCCCCC; CCCCCCCCCC(=O)OCC(COP(=O)([O
    -])OCC(C(=O)O)N)OC(=O)CCCCCCCCC; CCCCCCC
    CCC(=O)OC[CH](CO[P]([O-])(=O)OC[CH](N)C(
    O)=O)OC(=O)CCCCCCCCC; CCCCCCCCCC(=O)OC[C
    @H](CO[P@](=O)([O-])OC[C@@H](C(=O)O)N)OC
    (=O)CCCCCCCCC    		 1,2-DIDECANOYL-SN-GLYCERO-3-[PHOSPHO-L-SERINE]
    32654
    PS2
    ZINC000150345151    		 1 C40 H76 Br2 N O10 P InChI=1S/C40H76Br2NO10P/c
    1-3-5-7-9-11-12-13-14-15-
    16-17-21-25-29-38(44)50-3
    1-34(32-51-54(48,49)52-33
    -37(43)40(46)47)53-39(45)
    30-26-22-18-20-24-28-36(4
    2)35(41)27-23-19-10-8-6-4
    -2/h34-37H,3-33,43H2,1-2H
    3,(H,46,47)(H,48,49)/t34-
    ,35+,36+,37+/m1/s1;
    HQCXPRBKTHCWQI-HQPLKVBUSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(
    O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCC[C@@H](
    [C@H](CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=
    O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
    CCC(C(CCCCCCCC)Br)Br; CCCCCCCCCCCCCCCC(=
    O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)
    OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CCCCCCCC
    ; O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)C
    CCCCCCCCCCCCCC)CCCCCCCC(Br)C(Br)CCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O
    )OC[CH](N)C(O)=O)OC(=O)CCCCCCC[CH](Br)[C
    H](Br)CCCCCCCC    		 O-[{[(2R)-2-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-3-(PALMITOYLOXY)PROPYL]OXY}(HYDROXY)PHOSPHORYL]-L-SERINE;
    DIBROMINATED PHOSPHATIDYLSERINE;
    1-PALMITOYL-2-STEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-[PHOSPHO-L-SERINE](SODIUM SALT)
    32655
    PS4
    CHEMBL564249
    DB08429
    ZINC000039279922    		 2 C23 H28 Cl N3 O4 S InChI=1S/C23H28ClN3O4S/c1
    -32(30,31)21-9-3-6-17(13-
    21)23(29)26-15-20-8-4-10-
    27(20)22(28)14-19(25)12-1
    6-5-2-7-18(24)11-16/h2-3,
    5-7,9,11,13,19-20H,4,8,10
    ,12,14-15,25H2,1H3,(H,26,
    29)/t19-,20+/m1/s1;
    QRGBOABBMKYMLG-UXHICEINSA-N    		 CS(=O)(=O)c1cccc(c1)C(=O)NC[C@@H]2CCCN2C
    (=O)C[C@@H](Cc3cccc(c3)Cl)N; C[S](=O)(=O
    )c1cccc(c1)C(=O)NC[CH]2CCCN2C(=O)C[CH](N
    )Cc3cccc(Cl)c3; C[S](=O)(=O)c1cccc(c1)C(
    =O)NC[C@@H]2CCCN2C(=O)C[C@H](N)Cc3cccc(C
    l)c3; CS(=O)(=O)c1cccc(c1)C(=O)NCC2CCCN2
    C(=O)CC(Cc3cccc(c3)Cl)N; O=C(N1CCCC1CNC(
    =O)c2cccc(c2)S(=O)(=O)C)CC(N)Cc3cccc(Cl)
    c3    		 N-({(2S)-1-[(3R)-3-amino-4-(3-chlorophenyl)butanoyl]pyrrolidin-2-yl}methyl)-3-(methylsulfonyl)benzamide
    32656
    PS5
    DB02956    		 7 S5 InChI=1S/H2S5/c1-3-5-4-2/
    h1-2H/p-2;
    FBNHIFPJXGPDIP-UHFFFAOYSA-L    		 [S-]SSS[S-] PENTASULFIDE-SULFUR
    32657
    PS6
    ZINC000058649698    		 12 C26 H50 N O10 P InChI=1S/C26H50NO10P/c1-3
    -5-7-8-9-10-11-12-13-14-1
    6-17-24(28)34-19-22(37-25
    (29)18-15-6-4-2)20-35-38(
    32,33)36-21-23(27)26(30)3
    1/h22-23H,3-21,27H2,1-2H3
    ,(H,30,31)(H,32,33)/t22-,
    23+/m0/s1;
    HXSPCZGHXODQMW-XZOQPEGZSA-N    		 CCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O
    )OC[C@H](C(=O)O)N)OC(=O)CCCCC; CCCCCCCCC
    CCCCC(=O)OC[C@@H](CO[P@](O)(=O)OC[C@@H](
    N)C(O)=O)OC(=O)CCCCC; CCCCCCCCCCCCCC(=O)
    OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC;
    CCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[
    CH](N)C(O)=O)OC(=O)CCCCC; O=C(OC(COP(=O)
    (OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCC)CCC
    CC    		 O-[(S)-{[(2S)-2-(hexanoyloxy)-3-(tetradecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-D-serine
    32658
    PS7
    ZINC000030724760    		 7 C30 H52 O7 P2 InChI=1S/C30H52O7P2/c1-23
    (2)13-9-15-25(5)17-11-18-
    27(7)21-28-29(22-36-39(34
    ,35)37-38(31,32)33)30(28,
    8)20-12-19-26(6)16-10-14-
    24(3)4/h13-14,17,19,21,28
    -29H,9-12,15-16,18,20,22H
    2,1-8H3,(H,34,35)(H2,31,3
    2,33)/b25-17+,26-19+,27-2
    1+/t28-,29-,30-/m1/s1;
    ATZKAUGGNMSCCY-VVFNRDJMSA-N    		 CC(C)=CCCC(C)=CCCC(C)=C[CH]1[CH](CO[P](O
    )(=O)O[P](O)(O)=O)[C]1(C)CCC=C(C)CCC=C(C
    )C; CC(=CCC/C(=C/CC/C(=C/[C@@H]1[C@H]([C
    @]1(C)CC/C=C(\C)/CCC=C(C)C)CO[P@](=O)(O)
    OP(=O)(O)O)/C)/C)C; CC(C)=CCCC(/C)=C/CCC
    (/C)=C/[C@@H]1[C@@H](CO[P](O)(=O)O[P](O)
    (O)=O)[C@]1(C)CC\C=C(/C)CCC=C(C)C; CC(=C
    CCC(=CCCC(=CC1C(C1(C)CCC=C(C)CCC=C(C)C)C
    OP(=O)(O)OP(=O)(O)O)C)C)C    		 {(1R,2R,3R)-2-[(3E)-4,8-dimethylnona-3,7-dien-1-yl]-2-methyl-3-[(1E,5E)-2,6,10-trimethylundeca-1,5,9-trien-1-yl]cyclopropyl}methyl trihydrogen diphosphate
    32659
    PS8
    CHEMBL1951293
    ZINC000082156492    		 1 C21 H24 Cl2 N6 O2 S InChI=1S/C21H24Cl2N6O2S/c
    1-13-20(14(2)28(3)26-13)2
    7-32(30,31)21-17(22)10-16
    (11-18(21)23)15-4-5-19(25
    -12-15)29-8-6-24-7-9-29/h
    4-5,10-12,24,27H,6-9H2,1-
    3H3;
    HOIAFTVGAXSASA-UHFFFAOYSA-N    		 Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c
    3ccc(nc3)N4CCNCC4)Cl; Clc3cc(c1ccc(nc1)N
    2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C
    ; Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)
    c3ccc(nc3)N4CCNCC4)c1C    		 2,6-DICHLORO-4-(6-PIPERAZIN-1-YLPYRIDIN-3-YL)-N-(1,3,5-TRIMETHYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE
    32660
    PS9
    CHEMBL1235452
    DB09353    		 19 S8 InChI=1S/S8/c1-2-4-6-8-7-
    5-3-1;
    JLQNHALFVCURHW-UHFFFAOYSA-N    		 S1SSSSSSS1 octathiocane
    32661
    PSA
    ZINC000002526314    		 0 C11 H15 N O3 InChI=1S/C11H15NO3/c12-9(
    10(13)7-11(14)15)6-8-4-2-
    1-3-5-8/h1-5,9-10,13H,6-7
    ,12H2,(H,14,15)/t9-,10-/m
    0/s1;
    JAJQQUQHMLWDFB-UWVGGRQHSA-N    		 O=C(O)CC(O)C(N)Cc1ccccc1; N[CH](Cc1ccccc
    1)[CH](O)CC(O)=O; N[C@@H](Cc1ccccc1)[C@@
    H](O)CC(O)=O; c1ccc(cc1)C[C@@H]([C@H](CC
    (=O)O)O)N; c1ccc(cc1)CC(C(CC(=O)O)O)N    		 3-HYDROXY-4-AMINO-5-PHENYLPENTANOIC ACID
    32662
    PSB
    CHEMBL297273
    DB03231
    ZINC000013559921    		 1 C25 H21 N7 O3 S InChI=1S/C25H21N7O3S/c26-
    25-28-22-21(24(35)29-25)3
    0-32(31-22)18-9-5-8-15(12
    -18)23(34)27-13-16-6-1-3-
    10-19(16)36-20-11-4-2-7-1
    7(20)14-33/h1-12,33H,13-1
    4H2,(H,27,34)(H3,26,28,29
    ,31,35);
    IXDQOBDHBWEZOH-UHFFFAOYSA-N    		 O=C(NCc2ccccc2Sc1ccccc1CO)c3cc(ccc3)n4nc
    5nc(nc(O)c5n4)N; Nc1nc(O)c2nn(nc2n1)c3cc
    cc(c3)C(=O)NCc4ccccc4Sc5ccccc5CO; c1ccc(
    c(c1)CNC(=O)c2cccc(c2)n3nc4c(n3)nc(nc4O)
    N)Sc5ccccc5CO    		 3-(5-AMINO-7-HYDROXY-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDIN-2-YL)-N-[2-(2-(HYDROXYMETHYL-PHENYLSULFANYL)-BENZYL]-BENZAMIDE
    32663
    PSC
    ZINC000098209319    		 14 C42 H81 N O8 P InChI=1S/C42H80NO8P/c1-6-
    8-10-12-14-16-18-20-21-23
    -25-27-29-31-33-35-42(45)
    51-40(39-50-52(46,47)49-3
    7-36-43(3,4)5)38-48-41(44
    )34-32-30-28-26-24-22-19-
    17-15-13-11-9-7-2/h14,16,
    20-21,40H,6-13,15,17-19,2
    2-39H2,1-5H3/p+1/b16-14+,
    21-20-/t40-/m1/s1;
    JLPULHDHAOZNQI-AUSZDXHESA-O    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC;
    O=C(OCC(OC(=O)CCCCCCC\C=C/C/C=C/CCCCC)C
    OP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CC=CCCCC
    C; CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C
    =C/CCCCC    		 (7R,17E,20E)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSA-17,20-DIEN-1-AMINIUM 4-OXIDE;
    PHOSPHATIDYLCHOLINE;
    2-LINOLEOYL-1-PALMITOYL-SN-GYCEROL-3-PHOSPHOCHOLINE
    32664
    PSD    		 0 C15 H22 N7 O7 P InChI=1S/C15H22N7O7P/c16-
    12-9-13(19-5-18-12)22(6-2
    0-9)15-11(24)10(23)8(29-1
    5)4-28-30(26,27)21-14(25)
    7-2-1-3-17-7/h5-8,10-11,1
    5,17,23-24H,1-4H2,(H2,16,
    18,19)(H2,21,25,26,27)/t7
    -,8+,10+,11+,15+/m0/s1;
    BIVNOVXAWQKFMF-JVEUSOJLSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(NC(=O)[C@@H]4CCCN4)O)
    O)O)N; Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](
    O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O; c1
    nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(NC(=O
    )C4CCCN4)O)O)O)N; Nc1ncnc2n(cnc12)[C@@H]
    3O[C@H](CO[P@@](O)(=O)NC(=O)[C@@H]4CCCN4
    )[C@@H](O)[C@H]3O; O=C(NP(=O)(O)OCC3OC(n
    2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4    		 5'-O-[N-(PROLYL)-SULFAMOYL]ADENOSINE
    32665
    PSE    		 4 C3 H10 N O5 P InChI=1S/C3H10NO5P/c4-3(1
    -5)2-9-10(6,7)8/h3,5H,1-2
    ,4H2,(H2,6,7,8)/t3-/m1/s1;
    WDWYJNPKBKWDBL-GSVOUGTGSA-N    		 C(C(COP(=O)(O)O)N)O; O=P(O)(O)OCC(N)CO;
    C([C@H](COP(=O)(O)O)N)O; N[CH](CO)CO[P](
    O)(O)=O; N[C@H](CO)CO[P](O)(O)=O    		 O-PHOSPHOETHANOLAMINE
    32666
    PSF    		 15 C18 H34 N O10 P InChI=1S/C18H34NO10P/c1-3
    -5-7-9-16(20)26-11-14(29-
    17(21)10-8-6-4-2)12-27-30
    (24,25)28-13-15(19)18(22)
    23/h14-15H,3-13,19H2,1-2H
    3,(H,22,23)(H,24,25)/t14-
    ,15+/m1/s1;
    MIQYPPGTNIFAPO-CABCVRRESA-N    		 CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N
    )C(O)=O)OC(=O)CCCCC; CCCCCC(=O)OCC(COP(=
    O)(O)OCC(C(=O)O)N)OC(=O)CCCCC; CCCCCC(=O
    )OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=
    O)CCCCC; CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[
    C@@H](C(=O)O)N)OC(=O)CCCCC; O=C(OC(COP(=
    O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC    		 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE;
    PHOSPHATIDYLSERINE
    32667
    PSG
    CHEMBL1235458
    DB08430
    ZINC000013520501    		 2 C12 H15 N O7 S InChI=1S/C12H15NO7S/c14-5
    -8-9(15)10(16)11(17)12(20
    -8)21-7-3-1-6(2-4-7)13(18
    )19/h1-4,8-12,14-17H,5H2/
    t8-,9-,10+,11-,12+/m1/s1;
    IXFOBQXJWRLXMD-ZIQFBCGOSA-N    		 OC[CH]1O[CH](Sc2ccc(cc2)[N+]([O-])=O)[CH
    ](O)[CH](O)[CH]1O; [O-][N+](=O)c2ccc(SC1
    OC(C(O)C(O)C1O)CO)cc2; c1cc(ccc1[N+](=O)
    [O-])SC2C(C(C(C(O2)CO)O)O)O; OC[C@H]1O[C
    @@H](Sc2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@
    @H](O)[C@@H]1O; c1cc(ccc1[N+](=O)[O-])SC
    2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O    		 4-nitrophenyl 1-thio-beta-D-glucopyranoside;
    PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE;
    4-nitrophenyl 1-thio-beta-D-glucoside;
    4-nitrophenyl 1-thio-D-glucoside;
    4-nitrophenyl 1-thio-glucoside
    32668
    PSH    		 0 C6 H10 N3 O4 P S InChI=1S/C6H10N3O4PS/c7-5
    (6(10)11)1-4-2-9(3-8-4)14
    (12,13)15/h2-3,5H,1,7H2,(
    H,10,11)(H2,12,13,15)/t5-
    /m0/s1;
    CGXKMFUQMXYWIF-YFKPBYRVSA-N    		 O=C(O)C(N)Cc1ncn(c1)P(=O)(S)O; N[C@@H](C
    c1cn(cn1)[P@@](O)(S)=O)C(O)=O; c1c(ncn1P
    (=O)(O)S)CC(C(=O)O)N; c1c(ncn1[P@@](=O)(
    O)S)C[C@@H](C(=O)O)N; N[CH](Cc1cn(cn1)[P
    ](O)(S)=O)C(O)=O    		 1-thiophosphono-L-histidine
    32669
    PSI
    CHEMBL49004
    DB04191
    ZINC000003935186    		 5 C29 H47 N5 O7 InChI=1S/C29H47N5O7/c1-16
    (2)24(28(39)34-25(17(3)4)
    29(40)41-7)33-23(36)14-13
    -22(35)21(15-20-11-9-8-10
    -12-20)32-27(38)19(6)31-2
    6(37)18(5)30/h8-12,16-19,
    21-22,24-25,35H,13-15,30H
    2,1-7H3,(H,31,37)(H,32,38
    )(H,33,36)(H,34,39)/t18-,
    19-,21-,22-,24-,25-/m0/s1;
    IUDCAKKZLXFOQA-QJAPXLAMSA-N    		 COC(=O)[CH](NC(=O)[CH](NC(=O)CC[CH](O)[C
    H](Cc1ccccc1)NC(=O)[CH](C)NC(=O)[CH](C)N
    )C(C)C)C(C)C; C[C@@H](C(=O)N[C@@H](C)C(=
    O)N[C@@H](Cc1ccccc1)[C@H](CCC(=O)N[C@@H]
    (C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)O)N; C
    OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](
    O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C
    @H](C)N)C(C)C)C(C)C; O=C(OC)C(NC(=O)C(NC
    (=O)CCC(O)C(NC(=O)C(NC(=O)C(N)C)C)Cc1ccc
    cc1)C(C)C)C(C)C; CC(C)C(C(=O)NC(C(C)C)C(
    =O)OC)NC(=O)CCC(C(Cc1ccccc1)NC(=O)C(C)NC
    (=O)C(C)N)O    		 methyl N-{(4S,5S)-5-[(L-alanyl-L-alanyl)amino]-4-hydroxy-6-phenylhexanoyl}-L-valyl-L-valinate;
    SKF 107457
    32670
    PSJ
    CHEMBL1235460
    DB15087
    ZINC000005132035    		 40 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6+/
    m1/s1;
    BJHIKXHVCXFQLS-PUFIMZNGSA-N    		 C([C@H]([C@H]([C@H](C(=O)CO)O)O)O)O; OC[
    C@@H](O)[C@@H](O)[C@@H](O)C(=O)CO; O=C(C
    (O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 D-psicose
    32671
    PSK
    DB08431
    ZINC000053683157    		 2 C7 H15 O4 P InChI=1S/C7H15O4P/c1-3-6(
    8)5(2)7(9)4-12(10)11/h5-6
    ,8,12H,3-4H2,1-2H3,(H,10,
    11)/t5-,6+/m1/s1;
    UXHVQAJQXZWLAW-RITPCOANSA-N    		 CC[C@@H]([C@@H](C)C(=O)C[P@@H](=O)O)O; O
    =C(C(C(O)CC)C)CP(=O)O; CCC(C(C)C(=O)CP(=
    O)O)O; CC[CH](O)[CH](C)C(=O)C[PH](O)=O;
    CC[C@H](O)[C@@H](C)C(=O)C[P@H](O)=O    		 [(3R,4S)-4-HYDROXY-3-METHYL-2-OXOHEXYL]PHOSPHONIC ACID
    32672
    PSL    		 4 O7 S2 InChI=1S/H2O7S2/c1-8(2,3)
    7-9(4,5)6/h(H,1,2,3)(H,4,
    5,6)/p-2;
    VFNGKCDDZUSWLR-UHFFFAOYSA-L    		 [O-]S(=O)(=O)OS(=O)(=O)[O-]; [O-][S](=O)
    (=O)O[S]([O-])(=O)=O; [O-]S(=O)(=O)OS([O
    -])(=O)=O    		 PYROSULFATE
    32673
    PSM
    DB04767
    ZINC000012504502    		 1 C20 H33 N5 O5 S2 InChI=1S/C20H33N5O5S2/c1-
    4-11-32(29,30)25-17(13(2)
    26)20(28)24-16(9-10-31-3)
    19(27)23-12-14-5-7-15(8-6
    -14)18(21)22/h5-8,13,16-1
    7,25-26H,4,9-12H2,1-3H3,(
    H3,21,22)(H,23,27)(H,24,2
    8)/t13-,16-,17+/m0/s1;
    AIIJKVORRBMJHS-RRQGHBQHSA-N    		 CCC[S](=O)(=O)N[CH]([CH](C)O)C(=O)N[CH](
    CCSC)C(=O)NCc1ccc(cc1)C(N)=N; CCC[S](=O)
    (=O)N[C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C
    (=O)NCc1ccc(cc1)C(N)=N; CCCS(=O)(=O)NC(C
    (C)O)C(=O)NC(CCSC)C(=O)NCc1ccc(cc1)C(=N)
    N; O=S(=O)(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C
    (=[N@H])N)CCSC)C(O)C)CCC; CCCS(=O)(=O)N[
    C@H]([C@H](C)O)C(=O)N[C@@H](CCSC)C(=O)NC
    c1ccc(cc1)C(=N)N    		 N-[DIHYDROXY(PROPYL)-LAMBDA~4~-SULFANYL]THREONYL-N~1~-{4-[AMINO(IMINO)METHYL]BENZYL}METHIONINAMIDE;
    N-[1-(4-CARBAMIMIDOYL-BENZYLCARBAMOYL)-3-METHYLSULFANYL-PROPYL]-3-HYDROXY-2-PROPOXYAMINO-BUTYRAMID
    32674
    PSN
    CHEMBL148630
    DB03078
    ZINC000012503012    		 1 C14 H13 O5 P InChI=1S/C14H13O5P/c15-10
    -13-8-4-5-9-14(13)19-20(1
    6,17)18-11-12-6-2-1-3-7-1
    2/h1-10H,11H2,(H,16,17);
    PWDTUFYQEUEVQD-UHFFFAOYSA-N    		 c1ccc(cc1)COP(=O)(O)Oc2ccccc2C=O; O[P](=
    O)(OCc1ccccc1)Oc2ccccc2C=O; c1ccc(cc1)CO
    [P@@](=O)(O)Oc2ccccc2C=O; O=P(OCc1ccccc1
    )(Oc2ccccc2C=O)O; O[P@](=O)(OCc1ccccc1)O
    c2ccccc2C=O    		 BENZYL 2-FORMYLPHENYL HYDROGEN PHOSPHATE;
    PASBN
    32675
    PSO
    ZINC000000057349    		 0 C15 H14 O4 InChI=1S/C15H14O4/c1-7-4-
    13(17)19-14-8(2)15-11(5-1
    0(7)14)12(6-16)9(3)18-15/
    h4-5,16H,6H2,1-3H3;
    RGJSDHXSAKMPNM-UHFFFAOYSA-N    		 O=C3Oc2c(c1oc(c(c1cc2C(=C3)C)CO)C)C; Cc1
    c2c(cc3c1OC(=O)C=C3C)c(c(o2)C)CO; Cc1oc2
    c(C)c3OC(=O)C=C(C)c3cc2c1CO    		 4'-HYDROXYMETHYL-4,5',8-TRIMETHYLPSORALEN
    32676
    PSP
    CHEMBL32778
    ZINC000016970567    		 0 C15 H18 N4 O2 InChI=1S/C15H16N4O2/c20-1
    6-12-14-2-8-18(9-3-14)6-1
    -7-19-10-4-15(5-11-19)13-
    17-21/h2-5,8-13H,1,6-7H2/
    p+2;
    LJYGXPCCGGSATE-UHFFFAOYSA-P    		 O\N=C\c1cc[n+](cc1)CCC[n+]2ccc(\C=N\O)cc
    2; c1c[n+](ccc1C=NO)CCC[n+]2ccc(cc2)C=NO
    ; c1c[n+](ccc1\C=N\O)CCC[n+]2ccc(cc2)C=N
    O; ON=Cc1cc[n+](CCC[n+]2ccc(cc2)C=NO)cc1
    ; O\N=C\c1cc[n+](CCC[n+]2ccc(cc2)\C=N\O)
    cc1    		 1,3-PROPYLENE-BIS-N,N'-SYN-4-PYRIDINIUMALDOXIME
    32677
    PSQ
    DB02965    		 3 C5 H15 N4 O6 P S InChI=1S/C5H15N4O6PS/c6-4
    (5(10)11)2-1-3-8-16(7,12)
    9-17(13,14)15/h4H,1-3,6H2
    ,(H,10,11)(H,13,14,15)(H4
    ,7,8,9,12)/t4-,16+/m0/s1;
    MDGVOXPIIICZEK-FOIQGAMDSA-N    		 C(CC(C(=O)O)N)CNP(=O)(N)NS(=O)(=O)O; C(C
    [C@@H](C(=O)O)N)CN[P@](=O)(N)NS(=O)(=O)O
    ; N[C@@H](CCCN[P@@](N)(=O)N[S](O)(=O)=O)
    C(O)=O; N[CH](CCCN[P](N)(=O)N[S](O)(=O)=
    O)C(O)=O; O=P(NCCCC(C(=O)O)N)(NS(=O)(=O)
    O)N    		 NDELTA-(N'-SULPHODIAMINOPHOSPHINYL)-L-ORNITHINE
    32678
    PSR
    ZINC000031976806    		 4 C15 H29 N2 O8 P S InChI=1S/C15H29N2O8PS/c1-
    4-5-12(19)27-9-8-16-11(18
    )6-7-17-14(21)13(20)15(2,
    3)10-25-26(22,23)24/h13,2
    0H,4-10H2,1-3H3,(H,16,18)
    (H,17,21)(H2,22,23,24)/t1
    3-/m1/s1;
    PZIQDUSGQUZEBS-CYBMUJFWSA-N    		 CCCC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O
    )(O)O)O; CCCC(=O)SCCNC(=O)CCNC(=O)[CH](O
    )C(C)(C)CO[P](O)(O)=O; CCCC(=O)SCCNC(=O)
    CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)=O; O
    =C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O
    )O)CCC; CCCC(=O)SCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(=O)(O)O)O    		 THIOBUTYRIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER
    32679
    PSS    		 0 C17 H24 N2 O3 InChI=1S/C17H24N2O3/c1-2-
    3-9-15(17(21)22)19-11-10-
    18-14(16(19)20)12-13-7-5-
    4-6-8-13/h4-8,14-15,18H,2
    -3,9-12H2,1H3,(H,21,22)/t
    14-,15+/m1/s1;
    XGTNRXVUBSVMCM-CABCVRRESA-N    		 CCCCC(C(=O)O)N1CCNC(C1=O)Cc2ccccc2; CCCC
    [C@H](N1CCN[C@H](Cc2ccccc2)C1=O)C(O)=O;
    O=C(O)C(N1C(=O)C(NCC1)Cc2ccccc2)CCCC; CC
    CC[CH](N1CCN[CH](Cc2ccccc2)C1=O)C(O)=O;
    CCCC[C@@H](C(=O)O)N1CCN[C@@H](C1=O)Cc2cc
    ccc2    		 (2S)-2-[(3R)-3-benzyl-2-oxopiperazin-1-yl]hexanoic acid
    32680
    PST
    DB08432    		 4 C10 H15 N2 O7 P S InChI=1S/C10H15N2O7PS/c1-
    5-3-12(10(15)11-9(5)14)8-
    2-6(13)7(19-8)4-18-20(16,
    17)21/h3,6-8,13H,2,4H2,1H
    3,(H,11,14,15)(H2,16,17,2
    1)/t6-,7+,8+/m0/s1;
    OJRKJKYGUAALCJ-XLPZGREQSA-N    		 CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2
    )COP(=S)(O)O)O; CC1=CN(C(=O)NC1=O)C2CC(C
    (O2)COP(=S)(O)O)O; CC1=CN([CH]2C[CH](O)[
    CH](CO[P](O)(O)=S)O2)C(=O)NC1=O; O=C1NC(
    =O)N(C=C1C)C2OC(C(O)C2)COP(=S)(O)O; CC1=
    CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=S)O
    2)C(=O)NC1=O    		 THYMIDINE-5'-THIOPHOSPHATE
    32681
    PSU
    DB03829
    ZINC000004095566    		 5 C9 H13 N2 O9 P InChI=1S/C9H13N2O9P/c12-5
    -4(2-19-21(16,17)18)20-7(
    6(5)13)3-1-10-9(15)11-8(3
    )14/h1,4-7,12-13H,2H2,(H2
    ,16,17,18)(H2,10,11,14,15
    )/t4-,5-,6-,7+/m1/s1;
    MOBMOJGXNHLLIR-GBNDHIKLSA-N    		 O=P(OCC2OC(C1=CNC(=O)NC1=O)C(O)C2O)(O)O;
    O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)C
    2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N1)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)C2=CNC(=O)NC2=O; C1=C(C(=O)NC(=O)N
    1)C2C(C(C(O2)COP(=O)(O)O)O)O    		 PSEUDOURIDINE-5'-MONOPHOSPHATE
    32682
    PSV    		 8 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4-,5-,6
    +/m1/s1;
    RFSUNEUAIZKAJO-KAZBKCHUSA-N    		 C([C@@H]1[C@H]([C@H]([C@@](O1)(CO)O)O)O)
    O; OC1C(O)C(OC1(O)CO)CO; OC[CH]1O[C](O)(
    CO)[CH](O)[CH]1O; C(C1C(C(C(O1)(CO)O)O)O
    )O; OC[C@H]1O[C@@](O)(CO)[C@H](O)[C@@H]1
    O    		 alpha-D-psicofuranose;
    alpha-D-psicose;
    D-psicose;
    psicose
    32683
    PSW    		 0 C3 H7 N O2 S Se InChI=1S/C3H7NO2SSe/c4-2(
    1-8-7)3(5)6/h2,7H,1,4H2,(
    H,5,6)/t2-/m0/s1;
    SPXWFQKISDCWEH-REOHCLBHSA-N    		 N[C@@H](C[Se]S)C(O)=O; C([C@@H](C(=O)O)N
    )[Se]S; O=C(O)C(N)C[Se]S; N[CH](C[Se]S)C
    (O)=O; C(C(C(=O)O)N)[Se]S    		 3-(SULFANYLSELANYL)-L-ALANINE
    32684
    PSX
    ZINC000038792230    		 2 C7 H17 O5 P InChI=1S/C7H17O5P/c1-3-6(
    8)5(2)7(9)4-13(10,11)12/h
    5-9H,3-4H2,1-2H3,(H2,10,1
    1,12)/t5-,6+,7-/m1/s1;
    SBJOFBHUNGKURT-DSYKOEDSSA-N    		 CC[C@@H]([C@@H](C)[C@@H](CP(=O)(O)O)O)O;
    CC[C@H](O)[C@@H](C)[C@H](O)C[P](O)(O)=O
    ; CCC(C(C)C(CP(=O)(O)O)O)O; CC[CH](O)[CH
    ](C)[CH](O)C[P](O)(O)=O; O=P(O)(O)CC(O)C
    (C(O)CC)C    		 [(2S,3R,4S)-2,4-DIHYDROXY-3-METHYLHEXYL]PHOSPHONIC ACID
    32685
    PSY
    DB08433
    ZINC000002167094    		 2 C8 H8 O3 S InChI=1S/C8H8O3S/c1-2-12(
    9,10)11-8-6-4-3-5-7-8/h2-
    7H,1H2;
    CILDJVVXNMDAGY-UHFFFAOYSA-N    		 C=C[S](=O)(=O)Oc1ccccc1; C=CS(=O)(=O)Oc1
    ccccc1; O=S(=O)(Oc1ccccc1)\C=C    		 phenyl ethenesulfonate
    32686
    PSZ
    ZINC000034553600    		 15 C13 H15 N2 O7 P S InChI=1S/C13H15N2O7PS/c1-
    7-12(16)10(8(3-14-7)5-22-
    23(19,20)21)4-15-9-2-11(1
    3(17)18)24-6-9/h2-3,6,15-
    16H,4-5H2,1H3,(H,17,18)(H
    2,19,20,21);
    SUKBSASAEROGCJ-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNc2cc(sc2)C(=O
    )O)O; Cc1ncc(CO[P](O)(O)=O)c(CNc2csc(c2)
    C(O)=O)c1O; O=P(O)(O)OCc1c(c(O)c(nc1)C)C
    Nc2cc(sc2)C(=O)O    		 4-[({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)AMINO]THIOPHENE-2-CARBOXYLIC ACID
    32687
    PT    		 22 Pt InChI=1S/Pt/q+2;
    HRGDZIGMBDGFTC-UHFFFAOYSA-N    		 [Pt++]; [Pt+2] PLATINUM (II) ION
    32688
    PT0
    ZINC000098209321    		 0 C9 H20 N O4 P InChI=1S/C9H20NO4P/c1-4-1
    4-9(11)6-15(12,13)8(10)5-
    7(2)3/h7-8H,4-6,10H2,1-3H
    3,(H,12,13)/t8-/m1/s1;
    SJWYOBZTQADRCY-MRVPVSSYSA-N    		 CCOC(=O)CP(=O)(C(CC(C)C)N)O; O=P(O)(C(N)
    CC(C)C)CC(=O)OCC; CCOC(=O)C[P](O)(=O)[CH
    ](N)CC(C)C; CCOC(=O)C[P](O)(=O)[C@@H](N)
    CC(C)C; CCOC(=O)C[P@](=O)([C@H](CC(C)C)N
    )O    		 (R)-[(1R)-1-amino-3-methylbutyl](2-ethoxy-2-oxoethyl)phosphinic acid
    32689
    PT1
    CHEMBL341824
    DB04196
    ZINC000006628789    		 21 C14 H12 N6 O3 InChI=1S/C14H12N6O3/c15-1
    4-19-11-10(12(21)20-14)18
    -9(6-17-11)5-16-8-3-1-7(2
    -4-8)13(22)23/h1-4,6,16H,
    5H2,(H,22,23)(H3,15,17,19
    ,20,21);
    JOAQINSXLLMRCV-UHFFFAOYSA-N    		 Nc1nc(O)c2nc(CNc3ccc(cc3)C(O)=O)cnc2n1;
    c1cc(ccc1C(=O)O)NCc2cnc3c(n2)c(nc(n3)N)O
    ; O=C(O)c1ccc(cc1)NCc2nc3c(nc2)nc(nc3O)N    		 PTEROIC ACID
    32690
    PT2    		 0 C14 H14 N4 Pt InChI=1S/C12H8N2.C2H6N2.P
    t/c1-3-9-5-6-10-4-2-8-14-
    12(10)11(9)13-7-1;3-1-2-4
    ;/h1-8H;3-4H,1-2H2;/q;-2;
    +4;
    ZHOUVMJPJJXSDV-UHFFFAOYSA-N    		 c1cc2ccc3ccc[n+]4c3c2[n+](c1)[Pt]45NCCN5
    ; c2cc[n+]4c3c1[n+](cccc1ccc23)[Pt]45NCC
    N5; C1CN[Pt]2(N1)[n+]3cccc4ccc5ccc[n+]2c
    5c34    		 [ethane-1,2-diaminato(2-)-kappa~2~N,N'](1,10-phenanthroline-kappa~2~N~1~,N~10~)platinum(2+)
    32691
    PT3
    DB03390
    ZINC000002043169    		 5 C7 H13 N O5 InChI=1S/C7H13NO5/c1-2-3-
    8-6(11)4(9)5(10)7(12)13/h
    4-5,9-10H,2-3H2,1H3,(H,8,
    11)(H,12,13)/t4-,5-/m1/s1;
    LNEZKQHJUNIZIS-RFZPGFLSSA-N    		 CCCNC(=O)[C@@H]([C@H](C(=O)O)O)O; CCCNC(
    =O)C(C(C(=O)O)O)O; CCCNC(=O)[CH](O)[CH](
    O)C(O)=O; CCCNC(=O)[C@H](O)[C@@H](O)C(O)
    =O; O=C(NCCC)C(O)C(O)C(=O)O    		 N-PROPYL-TARTRAMIC ACID
    32692
    PT4    		 0 Pt InChI=1S/Pt/q+4;
    NDBYXKQCPYUOMI-UHFFFAOYSA-N    		 [Pt+4] PLATINUM (IV) ION
    32693
    PT5    		 106 C47 H85 O19 P3 InChI=1S/C47H85O19P3/c1-3
    -5-7-9-11-13-15-17-19-20-
    22-24-26-28-30-32-34-36-4
    1(49)63-39(37-61-40(48)35
    -33-31-29-27-25-23-21-18-
    16-14-12-10-8-6-4-2)38-62
    -69(59,60)66-45-42(50)43(
    51)46(64-67(53,54)55)47(4
    4(45)52)65-68(56,57)58/h1
    1,13,17,19,22,24,28,30,39
    ,42-47,50-52H,3-10,12,14-
    16,18,20-21,23,25-27,29,3
    1-38H2,1-2H3,(H,59,60)(H2
    ,53,54,55)(H2,56,57,58)/b
    13-11?,19-17?,24-22-,30-2
    8?/t39-,42-,43+,44+,45-,4
    6-,47-/m1/s1;
    CNWINRVXAYPOMW-HJBQCNPJSA-N    		 CCCCCCCCCCCCCCCCCC(=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)CCCC=CCC=C
    CC=CCC=CCCCCC; CCCCCCCCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(
    =O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCC
    C; CCCCCCCCCCCCCCCCCC(=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)CCC\C=C/C\C=C/C/C=C/CC=CCCCCC; CCCCCCC
    CCCCCCCCCCC(=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)CCCC=CC/C=C\
    CC=CCC=CCCCCC    		 [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate;
    Phosphatidylinositol 4,5-bisphosphate;
    PtdIns(4,5)P2
    32694
    PT6
    CHEMBL488937
    DB12347
    ZINC000016696900    		 14 C19 H20 N2 O2 S InChI=1S/C19H20N2O2S/c1-1
    4-15(4-2-6-18(14)20)13-21
    -9-7-16(12-19(21)22)23-10
    -8-17-5-3-11-24-17/h2-7,9
    ,11-12H,8,10,13,20H2,1H3;
    YCLREGRRHGLOAK-UHFFFAOYSA-N    		 Cc1c(cccc1N)CN2C=CC(=CC2=O)OCCc3cccs3; O
    =C2C=C(OCCc1sccc1)C=CN2Cc3cccc(N)c3C; Cc
    1c(N)cccc1CN2C=CC(=CC2=O)OCCc3sccc3    		 1-(3-amino-2-methylbenzyl)-4-[2-(thiophen-2-yl)ethoxy]pyridin-2(1H)-one
    32695
    PT7    		 6 C29 H23 Cl N P Pt InChI=1S/C18H15P.C11H8N.C
    lH.Pt/c1-4-10-16(11-5-1)1
    9(17-12-6-2-7-13-17)18-14
    -8-3-9-15-18;1-2-6-10(7-3
    -1)11-8-4-5-9-12-11;;/h1-
    15H;1-6,8-9H;1H;/q;;;+2;
    KHJLZDWNJSEPIZ-UHFFFAOYSA-N    		 c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pt+2]4
    (c5ccccc5C6=CC=CC=[N]64)Cl; Cl[Pt++]c1cc
    ccc1c2ccccn2.c3ccc(cc3)P(c4ccccc4)c5cccc
    c5; [Pt+2]2(n1ccccc1c3ccccc23)(Cl)P(c4cc
    ccc4)(c5ccccc5)c6ccccc6    		 chloro[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~](triphenyl-lambda~5~-phosphanyl)platinum(2+);
    PtII(2-phenylpyridine)(tri-phenylphosphine)Cl
    32696
    PT9    		 0 C20 H16 N6 Pt InChI=1S/C20H16N6.Pt/c1-3
    -13-21-17(9-1)25-19-11-5-
    7-15(23-19)16-8-6-12-20(2
    4-16)26-18-10-2-4-14-22-1
    8;/h1-14H,(H,21,23,25)(H,
    22,24,26);;
    ZLWQJMSFYZEZJF-UHFFFAOYSA-N    		 C1=CC2=[N](C=C1)[Pt]34[N]5=C(C=CC=C5)NC6
    =CC=CC(=[N]63)C7=[N]4C(=CC=C7)N2; [Pt].N
    (c1ccccn1)c2cccc(n2)c3cccc(Nc4ccccn4)n3    		 [Pt(H2bapbpy)] platinum
    32697
    PTA
    ZINC000006358149    		 0 C7 H16 N O4 P InChI=1S/C7H16NO4P/c1-5(2
    )3-6(8)13(11,12)4-7(9)10/
    h5-6H,3-4,8H2,1-2H3,(H,9,
    10)(H,11,12)/t6-/m1/s1;
    QLKPCHBADCFRHB-ZCFIWIBFSA-N    		 CC(C)C[C@H](N)[P@@](=O)(CC(=O)O)O; CC(C)
    CC(N)P(=O)(CC(=O)O)O; CC(C)C[CH](N)[P](O
    )(=O)CC(O)=O; CC(C)C[C@H](N)[P](O)(=O)CC
    (O)=O; O=C(O)CP(=O)(O)C(N)CC(C)C    		 [(1-AMINO-3-METHYL-BUTYL)-HYDROXY-PHOSPHINOYL]-ACETIC ACID
    32698
    PTB
    CHEMBL403772
    DB03833
    ZINC000005950679    		 1 C11 H17 N3 O2 InChI=1S/C11H17N3O2/c1-11
    (2,3)10-14-13-9(16-10)8(1
    5)7-5-4-6-12-7/h7,12H,4-6
    H2,1-3H3/t7-/m0/s1;
    YUKGJYBQODPVBL-ZETCQYMHSA-N    		 CC(C)(C)c1oc(nn1)C(=O)[CH]2CCCN2; CC(C)(
    C)c1oc(nn1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1
    nnc(o1)C(=O)[C@@H]2CCCN2; CC(C)(C)c1nnc(
    o1)C(=O)C2CCCN2; O=C(c1nnc(o1)C(C)(C)C)C
    2NCCC2    		 (5-TERT-BUTYL-1,3,4-OXADIAZOL-2-YL)[(2R)-PYRROLIDIN-2-YL]METHANONE;
    2-PROLYL-5-TERT-BUTYL-[1,3,4]OXADIAZOLE
    32699
    PTC    		 0 C12 H14 N O7 P InChI=1S/C12H14NO7P/c1-13
    -11(14)9-8(10(9)12(15)16)
    6-2-4-7(5-3-6)20-21(17,18
    )19/h2-5,8-10H,1H3,(H,13,
    14)(H,15,16)(H2,17,18,19)
    /t8-,9+,10+/m0/s1;
    GIIUHKRUTUSHAB-IVZWLZJFSA-N    		 CNC(=O)C1C(C1C(=O)O)c2ccc(cc2)OP(=O)(O)O
    ; CNC(=O)[C@@H]1[C@@H]([C@H]1C(=O)O)c2cc
    c(cc2)OP(=O)(O)O; CNC(=O)[CH]1[CH]([CH]1
    c2ccc(O[P](O)(O)=O)cc2)C(O)=O; O=C(NC)C2
    C(c1ccc(OP(=O)(O)O)cc1)C2C(=O)O; CNC(=O)
    [C@H]1[C@@H]([C@H]1c2ccc(O[P](O)(O)=O)cc
    2)C(O)=O    		 2-METHYLCARBAMOYL-3-(4-PHOSPHONOOXY-PHENYL)-CYCLOPROPANECARBOXYLIC ACID
    32700
    PTD
    CHEMBL1235482
    DB03266
    ZINC000001729593    		 41 C5 H8 O2 InChI=1S/C5H8O2/c6-4-2-1-
    3-5-7/h4-5H,1-3H2;
    SXRSQZLOMIGNAQ-UHFFFAOYSA-N    		 C(CC=O)CC=O; O=CCCCC=O PENTANEDIAL
    32701
    PTE    		 10 C20 H29 Mg N10 O14 P2 S4 W InChI=1S/2C10H14N5O6PS2.M
    g.2H2O.W/c2*11-10-14-7-4(
    8(16)15-10)12-3-6(24)5(23
    )2(21-9(3)13-7)1-20-22(17
    ,18)19;;;;/h2*2-3,9,12,23
    -24H,1H2,(H2,17,18,19)(H4
    ,11,13,14,15,16);;2*1H2;/
    q;;+2;;;+1/p-3/t2*2-,3+,9
    -;;;;/m11..../s1;
    PZGYSZZGRVZGLK-MAAILCHMSA-K    		 O.O.NC1=NC2=C(N[C@@H]3[C@H](N2)O[C@H](CO
    [P](O)(=O)O[Mg]O[P](O)(=O)OC[C@H]4O[C@H]
    5NC6=C(N[C@H]5C(=C4S)S[W])C(=O)NC(=N6)N)
    C(=C3S)S)C(=O)N1; O.O.NC1=NC2=C(N[CH]3[C
    H](N2)O[CH](CO[P](O)(=O)O[Mg]O[P](O)(=O)
    OC[CH]4O[CH]5NC6=C(N[CH]5C(=C4S)S[W])C(=
    O)NC(=N6)N)C(=C3S)S)C(=O)N1; C(C1C(=C(C2
    C(O1)NC3=C(N2)C(=O)NC(=N3)N)S)S)OP(=O)(O
    )O[Mg]([OH2])([OH2])OP(=O)(O)OCC4C(=C(C5
    C(O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S; C([C
    @@H]1C(=C([C@H]2[C@@H](O1)NC3=C(N2)C(=O)
    NC(=N3)N)S)S)O[P@](=O)(O)O[Mg]([OH2])([O
    H2])O[P@@](=O)(O)OC[C@@H]4C(=C([C@H]5[C@
    @H](O4)NC6=C(N5)C(=O)NC(=N6)N)S[W])S    		 TUNGSTOPTERIN COFACTOR
    32702
    PTF    		 0 C8 H10 S InChI=1S/C8H10S/c1-9-7-8-
    5-3-2-4-6-8/h2-6H,7H2,1H3;
    OFQPKKGMNWASPN-UHFFFAOYSA-N    		 CSCc1ccccc1; sulfide [(METHYLSULFANYL)METHYL]BENZENE
    32703
    PTG
    CHEMBL1210221
    DB08435
    ZINC000038139032    		 7 C20 H28 O3 InChI=1S/C20H28O3/c1-2-3-
    4-5-6-10-13-18-17(15-16-1
    9(18)21)12-9-7-8-11-14-20
    (22)23/h6-7,9-10,13,15-17
    H,2-5,8,11-12,14H2,1H3,(H
    ,22,23)/b9-7+,10-6+,18-13
    -/t17-/m0/s1;
    VHRUMKCAEVRUBK-XOVNXQNQSA-N    		 CCCCC\C=C\C=C1[C@H](C=CC1=O)C\C=C\CCCC(=
    O)O; CCCCC\C=C\C=C/1[C@@H](C\C=C\CCCC(O)
    =O)C=CC/1=O; O=C\1C=CC(C/1=C\C=C\CCCCC)C
    /C=C/CCCC(=O)O; CCCCCC=CC=C1[CH](CC=CCCC
    C(O)=O)C=CC1=O; CCCCCC=CC=C1C(C=CC1=O)CC
    =CCCCC(=O)O    		 (5E,14E)-11-oxoprosta-5,9,12,14-tetraen-1-oic acid;
    15-deoxy-delta(12,14)-prostaglandin J2
    32704
    PTH
    ZINC000033423088    		 0 C10 H14 N O7 P InChI=1S/C10H14NO7P/c11-8
    (10(13)14)4-6-1-2-9(7(3-6
    )5-12)18-19(15,16)17/h1-3
    ,8,12H,4-5,11H2,(H,13,14)
    (H2,15,16,17)/t8-/m0/s1;
    QPZIXFGNLVEBKM-QMMMGPOBSA-N    		 N[CH](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O)=O
    ; c1cc(c(cc1CC(C(=O)O)N)CO)OP(=O)(O)O; c
    1cc(c(cc1C[C@@H](C(=O)O)N)CO)OP(=O)(O)O;
    N[C@@H](Cc1ccc(O[P](O)(O)=O)c(CO)c1)C(O
    )=O; O=P(Oc1ccc(cc1CO)CC(C(=O)O)N)(O)O    		 CE1-METHYLENE-HYDROXY-PHOSPHOTYROSINE
    32705
    PTI
    DB04471
    ZINC000005934385    		 1 C28 H32 N2 O2 InChI=1S/C28H32N2O2/c31-2
    5-11-14-27-23(21-25)15-18
    -30(24-7-3-1-4-8-24)28(27
    )22-9-12-26(13-10-22)32-2
    0-19-29-16-5-2-6-17-29/h1
    ,3-4,7-14,21,28,31H,2,5-6
    ,15-20H2/t28-/m1/s1;
    FMWVCTJKLAVRPB-MUUNZHRXSA-N    		 Oc1ccc2[CH](N(CCc2c1)c3ccccc3)c4ccc(OCCN
    5CCCCC5)cc4; c1ccc(cc1)N2CCc3cc(ccc3[C@H
    ]2c4ccc(cc4)OCCN5CCCCC5)O; O(c1ccc(cc1)C
    4c2ccc(O)cc2CCN4c3ccccc3)CCN5CCCCC5; c1c
    cc(cc1)N2CCc3cc(ccc3C2c4ccc(cc4)OCCN5CCC
    CC5)O; Oc1ccc2[C@H](N(CCc2c1)c3ccccc3)c4
    ccc(OCCN5CCCCC5)cc4    		 2-PHENYL-1-[4-(2-PIPERIDIN-1-YL-ETHOXY)-PHENYL]-1,2,3,4-TETRAHYDRO-ISOQUINOLIN-6-OL
    32706
    PTJ
    ZINC000098209322    		 4 C16 H25 N5 O13 P2 InChI=1S/C16H25N5O13P2/c1
    -16(2,4-32-35(26,27)28)11
    (24)15(25)34-36(29,30)31-
    3-7-9(22)10(23)14(33-7)21
    -6-20-8-12(17)18-5-19-13(
    8)21/h5-7,9-11,14,22-24H,
    3-4H2,1-2H3,(H,29,30)(H2,
    17,18,19)(H2,26,27,28)/t7
    -,9-,10-,11+,14-/m1/s1;
    OMCOLJSEXCHENT-FSRKKXLISA-N    		 CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)O[P](O)(
    =O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)
    ncnc23; CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=
    O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@
    H]1O)n2cnc3c(N)ncnc23; O=P(O)(O)OCC(C)(C
    )C(O)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3O; CC(C)(COP(=O)(O)O)C(C(=O)OP(
    =O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O;
    CC(C)(COP(=O)(O)O)[C@H](C(=O)OP(=O)(O)O
    C[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2nc
    nc3N)O)O)O    		 5'-O-[(S)-hydroxy{[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]oxy}phosphoryl]adenosine
    32707
    PTK
    ZINC000004262432    		 1 C16 H10 O12 S4 InChI=1S/C16H10O12S4/c17-
    29(18,19)11-5-13(31(23,24
    )25)9-3-4-10-14(32(26,27)
    28)6-12(30(20,21)22)8-2-1
    -7(11)15(9)16(8)10/h1-6H,
    (H,17,18,19)(H,20,21,22)(
    H,23,24,25)(H,26,27,28);
    CZLSHVQVNDDHDQ-UHFFFAOYSA-N    		 O[S](=O)(=O)c1cc(c2ccc3c4c(ccc1c24)c(cc3
    [S](O)(=O)=O)[S](O)(=O)=O)[S](O)(=O)=O;
    c1cc2c(cc(c3c2c4c1c(cc(c4cc3)S(=O)(=O)O)
    S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O; O=S(=O
    )(O)c4cc(c2ccc1c(cc(c3c1c2c4cc3)S(=O)(=O
    )O)S(=O)(=O)O)S(=O)(=O)O    		 pyrene-1,3,6,8-tetrasulfonic acid;
    1,3,6,8-pyrenetetrasulfonic acid
    32708
    PTL
    CHEMBL18602
    DB01919
    ZINC000001667603    		 4 C5 H10 O InChI=1S/C5H10O/c1-2-3-4-
    5-6/h5H,2-4H2,1H3;
    HGBOYTHUEUWSSQ-UHFFFAOYSA-N    		 CCCCC=O; O=CCCCC PENTANAL
    32709
    PTM
    ZINC000033821485    		 0 C10 H14 N O6 P InChI=1S/C10H14NO6P/c1-10
    (11,9(12)13)6-7-2-4-8(5-3
    -7)17-18(14,15)16/h2-5H,6
    ,11H2,1H3,(H,12,13)(H2,14
    ,15,16)/t10-/m0/s1;
    ZXNVWXYLFYKNAE-JTQLQIEISA-N    		 C[C@](Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N; C
    [C](N)(Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; C
    C(Cc1ccc(cc1)OP(=O)(O)O)(C(=O)O)N; O=P(O
    c1ccc(cc1)CC(C(=O)O)(N)C)(O)O; C[C@](N)(
    Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O    		 ALPHA-METHYL-O-PHOSPHOTYROSINE
    32710
    PTN    		 0 H9 N3 Pt InChI=1S/3H3N.Pt/h3*1H3;/
    q;;;+2;
    OMAFVUDQJABSNM-UHFFFAOYSA-N    		 N.N.N.[Pt++]; [NH3][Pt+2]([NH3])[NH3] PLATINUM TRIAMINE ION
    32711
    PTO
    CHEMBL1235490
    DB04026
    ZINC000100019971    		 2 C8 H15 N O InChI=1S/C8H15NO/c1-9-6-2
    -3-7(9)5-8(10)4-6/h6-8,10
    H,2-5H2,1H3/t6-,7+,8-;
    CYHOMWAPJJPNMW-RNLVFQAGSA-N    		 CN1[C@H]2CC[C@@H]1CC(O)C2; OC2CC1N(C)C(C
    C1)C2; CN1[CH]2CC[CH]1CC(O)C2; CN1[C@H]2
    CC[C@@H]1CC(C2)O; CN1C2CCC1CC(C2)O    		 PSEUDOTROPINE
    32712
    PTP    		 0 C10 H16 N2 O11 P2 InChI=1/C10H16N2O11P2/c1-
    5-3-12(10(14)11-9(5)13)8-
    2-6(23-25(18,19)20)7(22-8
    )4-21-24(15,16)17/h3,6-8H
    ,2,4H2,1H3,(H,11,13,14)(H
    2,15,16,17)(H2,18,19,20)/
    t6-,7+,8+/m0/s1/f/h11,15-
    16,18-19H;
    CSNCBOPUCJOHLS-AAFSSDHBDI    		 CC1=CN([CH]2C[CH](O[P](O)(O)=O)[CH](CO[P
    ](O)(O)=O)O2)C(=O)NC1=O; O=C1NC(=O)N(C=C
    1C)C2OC(C(OP(=O)(O)O)C2)COP(=O)(O)O; CC1
    =CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)OP(
    =O)(O)O; CC1=CN([C@H]2C[C@H](O[P](O)(O)=
    O)[C@@H](CO[P](O)(O)=O)O2)C(=O)NC1=O; CC
    1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)C
    OP(=O)(O)O)OP(=O)(O)O    		 THYMIDINE-3',5'-DIPHOSPHATE
    32713
    PTQ
    ZINC000004282257    		 13 C14 H20 O5 S InChI=1S/C14H20O5S/c15-8-
    10-11(16)12(17)13(18)14(1
    9-10)20-7-6-9-4-2-1-3-5-9
    /h1-5,10-18H,6-8H2/t10-,1
    1+,12+,13-,14+/m1/s1;
    ZNAMMSOYKPMPGC-HTOAHKCRSA-N    		 OC[C@H]1O[C@@H](SCCc2ccccc2)[C@H](O)[C@@
    H](O)[C@H]1O; c1ccc(cc1)CCSC2C(C(C(C(O2)
    CO)O)O)O; OC[CH]1O[CH](SCCc2ccccc2)[CH](
    O)[CH](O)[CH]1O; c1ccc(cc1)CCS[C@H]2[C@@
    H]([C@H]([C@H]([C@H](O2)CO)O)O)O; S(CCc1
    ccccc1)C2OC(C(O)C(O)C2O)CO    		 2-phenylethyl 1-thio-beta-D-galactopyranoside;
    2-Phenylethyl beta-D-thiogalactoside, PETG
    32714
    PTR
    CHEMBL286939
    DB01962
    ZINC000001530464    		 11 C9 H12 N O6 P InChI=1S/C9H12NO6P/c10-8(
    9(11)12)5-6-1-3-7(4-2-6)1
    6-17(13,14)15/h1-4,8H,5,1
    0H2,(H,11,12)(H2,13,14,15
    )/t8-/m0/s1;
    DCWXELXMIBXGTH-QMMMGPOBSA-N    		 c1cc(ccc1C[C@@H](C(=O)O)N)OP(=O)(O)O; N[
    CH](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; N[C@
    @H](Cc1ccc(O[P](O)(O)=O)cc1)C(O)=O; c1cc
    (ccc1CC(C(=O)O)N)OP(=O)(O)O; O=P(Oc1ccc(
    cc1)CC(C(=O)O)N)(O)O    		 O-PHOSPHOTYROSINE;
    PHOSPHONOTYROSINE
    32715
    PTS
    CHEMBL475
    ZINC000006932783    		 1 C8 H12 N2 O4 S3 InChI=1S/C8H12N2O4S3/c1-4
    -2-6(9)5-3-7(17(10,13)14)
    15-8(5)16(4,11)12/h3-4,6H
    ,2,9H2,1H3,(H2,10,13,14)/
    t4-,6-/m0/s1;
    HVURBRAECUMAHY-NJGYIYPDSA-N    		 O=S(=O)(c1sc2c(c1)C(N)CC(C)S2(=O)=O)N; C
    [C@H]1C[C@@H](c2cc(sc2S1(=O)=O)S(=O)(=O)
    N)N; C[CH]1C[CH](N)c2cc(sc2[S]1(=O)=O)[S
    ](N)(=O)=O; CC1CC(c2cc(sc2S1(=O)=O)S(=O)
    (=O)N)N; C[C@H]1C[C@H](N)c2cc(sc2[S]1(=O
    )=O)[S](N)(=O)=O    		 (4S-TRANS)-4-(AMINO)-5,6-DIHYDRO-6-METHYL-4H-THIENO (2,3-B)THIOPYRAN-2-SULFONAMIDE-7,7-DIOXIDE
    32716
    PTT    		 4 C21 H25 Mg N10 O13 P2 S4 W InChI=1S/C11H16N5O6PS2.C1
    0H14N5O6PS2.Mg.H2O.W/c1-2
    0-9-5-8(15-11(12)16-9)14-
    10-4(13-5)7(25)6(24)3(22-
    10)2-21-23(17,18)19;11-10
    -14-7-4(8(16)15-10)12-3-6
    (24)5(23)2(21-9(3)13-7)1-
    20-22(17,18)19;;;/h3-4,10
    ,13,24-25H,2H2,1H3,(H2,17
    ,18,19)(H3,12,14,15,16);2
    -3,9,12,23-24H,1H2,(H2,17
    ,18,19)(H4,11,13,14,15,16
    );;1H2;/q;;+2;;+5/p-7/t3-
    ,4+,10-;2-,3+,9-;;;/m11..
    ./s1;
    OMJGSXGVFAOTGU-BYZPVVMBSA-G    		 COc1c2c(nc(n1)N)N[C@H]3[C@@H](N2)C4=C5[C
    @H](O3)COP(=O)(O[Mg]OP(=O)(OC[C@@H]6C7=C
    ([C@H]8[C@@H](O6)NC9=C(N8)C(=O)NC(=N9)N)
    S[W](S5)(S7)(S4)O)O)O; O=P7(O)OCC2OC8Nc9
    nc(nc(OC)c9NC8C=1S[W]3(SC=12)(SC4=C(S3)C
    (OC5NC=6N=C(N)NC(=O)C=6NC45)COP(=O)(O)O[
    Mg]O7)O)N; COc1c2c(nc(n1)N)NC3C(N2)C4=C5
    C(O3)COP(=O)(O[Mg]OP(=O)(OCC6C7=C(C8C(O6
    )NC9=C(N8)C(=O)NC(=N9)N)S[W](S5)(S7)(S4)
    O)O)O; COc1nc(N)nc2N[CH]3O[CH]4CO[P](O)(
    =O)O[Mg]O[P](O)(=O)OC[CH]5O[CH]6NC7=C(N[
    CH]6C8=C5S[W]9(O)(SC4=C(S9)[CH]3Nc12)S8)
    C(=O)NC(=N7)N; COc1nc(N)nc2N[C@@H]3O[C@@
    H]4CO[P](O)(=O)O[Mg]O[P](O)(=O)OC[C@H]5O
    [C@H]6NC7=C(N[C@H]6C8=C5S[W]9(O)(SC4=C(S
    9)[C@@H]3Nc12)S8)C(=O)NC(=N7)N    		 TUNGSTOPTERIN
    32717
    PTU
    CHEMBL451666
    DB03707
    ZINC000006001367    		 4 C9 H12 N2 S InChI=1S/C9H12N2S/c1-2-12
    -9(10)11-8-6-4-3-5-7-8/h3
    -7H,2H2,1H3,(H2,10,11);
    LAXNJIWNBHHMDO-UHFFFAOYSA-N    		 CCSC(N)=Nc1ccccc1; S(\C(=N/c1ccccc1)N)CC
    ; CCSC(=Nc1ccccc1)N    		 2-ETHYL-1-PHENYL-ISOTHIOUREA;
    S-ETHYL-N-PHENYL-ISOTHIOUREA
    32718
    PTV
    ZINC000044858596    		 1 C13 H10 N4 O S2 InChI=1S/C13H10N4OS2/c18-
    10(11-2-1-7-19-11)8-20-13
    -15-12(16-17-13)9-3-5-14-
    6-4-9/h1-7H,8H2,(H,15,16,
    17);
    PCHCUBVZNSWLHT-UHFFFAOYSA-N    		 c1cc(sc1)C(=O)CSc2nc([nH]n2)c3ccncc3; O=
    C(CSc1n[nH]c(n1)c2ccncc2)c3sccc3; O=C(c1
    sccc1)CSc3nc(c2ccncc2)nn3    		 2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophenyl)ethanone
    32719
    PTW
    ZINC000019318998    		 2 C6 H12 N3 P InChI=1S/C6H12N3P/c1-7-2-
    9-3-8(1)5-10(4-7)6-9/h1-6
    H2;
    FXXRPTKTLVHPAR-UHFFFAOYSA-N    		 N13CN2CN(CP(C1)C2)C3; C1N2CN3CN1CP(C2)C3 1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane;
    1,3,5-Triaza-7-phosphaadamantane
    32720
    PTX
    ZINC000038377622    		 2 C7 H11 N4 O5 P S InChI=1S/C7H11N4O5PS/c1-1
    6-11-5(4-2-18-7(8)10-4)6(
    12)9-3-17(13,14)15/h2H,3H
    2,1H3,(H2,8,10)(H,9,12)(H
    2,13,14,15)/b11-5-;
    NUSMEMKZJLGCTR-WZUFQYTHSA-N    		 O=P(O)(O)CNC(=O)C(=N\OC)/c1nc(sc1)N; CO/
    N=C(/c1csc(n1)N)\C(=O)NCP(=O)(O)O; CO\N=
    C(/C(=O)NC[P](O)(O)=O)c1csc(N)n1; CON=C(
    c1csc(n1)N)C(=O)NCP(=O)(O)O; CON=C(C(=O)
    NC[P](O)(O)=O)c1csc(N)n1    		 {[(2E)-2-(2-AMINO-1,3-THIAZOL-4-YL)-2-(METHOXYIMINO)ETHANOYL]AMINO}METHYLPHOSPHONIC ACID
    32721
    PTY
    ZINC000024540325    		 14 C40 H80 N O8 P InChI=1S/C40H80NO8P/c1-3-
    5-7-9-11-13-15-17-18-19-2
    0-21-23-25-27-29-31-33-40
    (43)49-38(37-48-50(44,45)
    47-35-34-41)36-46-39(42)3
    2-30-28-26-24-22-16-14-12
    -10-8-6-4-2/h38H,3-37,41H
    2,1-2H3,(H,44,45)/t38-/m1
    /s1;
    NJGIRBISCGPRPF-KXQOOQHDSA-N    		 CCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=O)CCC
    CCCCCCCCCCC)CO[P](O)(=O)OCCN; CCCCCCCCCC
    CCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCC
    CC)CO[P@](O)(=O)OCCN; O=C(OCC(OC(=O)CCCC
    CCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O
    )CCCCCCCCCCCCCC)COP(=O)(O)OCCN; CCCCCCCC
    CCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCC
    CCCC)CO[P@@](=O)(O)OCCN    		 PHOSPHATIDYLETHANOLAMINE
    32722
    PTZ
    CHEMBL172066
    ZINC000095082477    		 7 C10 H10 N2 S InChI=1S/C10H10N2S/c1-7-9
    (12-10(11)13-7)8-5-3-2-4-
    6-8/h2-6H,1H3,(H2,11,12);
    HTXQOROHFFYFMC-UHFFFAOYSA-N    		 n2c(c1ccccc1)c(sc2N)C; Cc1sc(N)nc1c2cccc
    c2; Cc1c(nc(s1)N)c2ccccc2    		 5-methyl-4-phenyl-1,3-thiazol-2-amine;
    2-Amino-5-methyl-4-phenylthiazole
    32723
    PU
    ZINC000058661157    		 0 C22 H30 N7 O8 P InChI=1S/C22H30N7O8P/c1-2
    8(2)19-17-20(24-10-23-19)
    29(11-25-17)22-18(31)16(1
    5(9-30)37-22)26-21(32)14(
    27-38(33,34)35)8-12-4-6-1
    3(36-3)7-5-12/h4-7,10-11,
    14-16,18,22,30-31H,8-9H2,
    1-3H3,(H,26,32)(H3,27,33,
    34,35)/t14-,15+,16+,18+,2
    2+/m0/s1;
    FHDMBNGCWMYGNF-NVWDDTSBSA-N    		 CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)OC)
    NP(=O)(O)O)O; COc1ccc(C[C@H](N[P](O)(O)=
    O)C(=O)N[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO
    )n3cnc4c(ncnc34)N(C)C)cc1; CN(C)c1c2c(nc
    n1)n(cn2)C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc
    4)OC)NP(=O)(O)O)O; O=P(O)(O)NC(C(=O)NC3C
    (OC(n2cnc1c2ncnc1N(C)C)C3O)CO)Cc4ccc(OC)
    cc4; COc1ccc(C[CH](N[P](O)(O)=O)C(=O)N[C
    H]2[CH](O)[CH](O[CH]2CO)n3cnc4c(ncnc34)N
    (C)C)cc1    		 PUROMYCIN-N-AMINOPHOSPHONIC ACID
    32724
    PU0
    CHEMBL326651
    DB04054
    ZINC000006380071    		 1 C18 H22 F N5 O2 InChI=1S/C18H22FN5O2/c1-4
    -5-8-24-14(21-15-16(20)22
    -18(19)23-17(15)24)10-11-
    9-12(25-2)6-7-13(11)26-3/
    h6-7,9H,4-5,8,10H2,1-3H3,
    (H2,20,22,23);
    PASRTKOWXJDFFV-UHFFFAOYSA-N    		 CCCCn1c(Cc2cc(OC)ccc2OC)nc3c(N)nc(F)nc13
    ; Fc1nc(c2nc(n(c2n1)CCCC)Cc3cc(OC)ccc3OC
    )N; CCCCn1c(nc2c1nc(nc2N)F)Cc3cc(ccc3OC)
    OC    		 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
    32725
    PU1
    CHEMBL112953
    DB02550
    ZINC000001552694    		 2 C20 H21 Cl F N5 O3 InChI=1S/C20H21ClFN5O3/c1
    -5-6-7-8-27-13(24-15-18(2
    3)25-20(22)26-19(15)27)10
    -11-9-12(28-2)16(29-3)17(
    30-4)14(11)21/h1,9H,6-8,1
    0H2,2-4H3,(H2,23,25,26);
    KCIOVTSUEXGUFJ-UHFFFAOYSA-N    		 Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(nc(F)nc2n3
    CCCC#C)N; COc1cc(Cc2nc3c(N)nc(F)nc3n2CCC
    C#C)c(Cl)c(OC)c1OC; COc1cc(c(c(c1OC)OC)C
    l)Cc2nc3c(nc(nc3n2CCCC#C)F)N    		 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-2-FLUORO-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
    32726
    PU2
    CHEMBL324951
    DB03093
    ZINC000003833893    		 1 C14 H14 F N5 O2 InChI=1S/C14H14FN5O2/c1-2
    1-8-3-4-9(22-2)7(5-8)6-10
    -17-11-12(16)19-14(15)20-
    13(11)18-10/h3-5H,6H2,1-2
    H3,(H3,16,17,18,19,20);
    MWHAHELTVGJGFJ-UHFFFAOYSA-N    		 COc1ccc(OC)c(Cc2[nH]c3c(N)nc(F)nc3n2)c1;
    COc1ccc(c(c1)Cc2[nH]c3c(nc(nc3n2)F)N)OC
    ; Fc2nc1nc(nc1c(n2)N)Cc3cc(OC)ccc3OC    		 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9H-PURIN-6-YLAMINE
    32727
    PU3
    CHEMBL113690
    DB02754
    ZINC000003832013    		 2 C19 H25 N5 O3 InChI=1S/C19H25N5O3/c1-5-
    6-7-24-15(23-16-18(20)21-
    11-22-19(16)24)10-12-8-13
    (25-2)17(27-4)14(9-12)26-
    3/h8-9,11H,5-7,10H2,1-4H3
    ,(H2,20,21,22);
    TUOSCZDRWRYPRS-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3cc(c(c(c3)OC)OC)O
    C; CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2)nc3c(N)
    ncnc13; n1c(c2nc(n(c2nc1)CCCC)Cc3cc(OC)c
    (OC)c(OC)c3)N    		 9-BUTYL-8-(3,4,5-TRIMETHOXYBENZYL)-9H-PURIN-6-AMINE
    32728
    PU4
    CHEMBL112834
    DB03899    		 1 C17 H21 N5 O InChI=1S/C17H21N5O/c1-3-4
    -9-22-14(10-12-5-7-13(23-
    2)8-6-12)21-15-16(18)19-1
    1-20-17(15)22/h5-8,11H,3-
    4,9-10H2,1-2H3,(H2,18,19,
    20);
    NVYATAJRTRFKSW-UHFFFAOYSA-N    		 CCCCn1c(Cc2ccc(OC)cc2)nc3c(N)ncnc13; n1c
    (c2nc(n(c2nc1)CCCC)Cc3ccc(OC)cc3)N; CCCC
    n1c(nc2c1ncnc2N)Cc3ccc(cc3)OC    		 9-BUTYL-8-(4-METHOXYBENZYL)-9H-PURIN-6-AMINE
    32729
    PU5
    CHEMBL109612
    DB03809
    ZINC000012503928    		 1 C17 H21 N5 O InChI=1S/C17H21N5O/c1-3-4
    -8-22-14(10-12-6-5-7-13(9
    -12)23-2)21-15-16(18)19-1
    1-20-17(15)22/h5-7,9,11H,
    3-4,8,10H2,1-2H3,(H2,18,1
    9,20);
    BWLWUGBHOXIUBP-UHFFFAOYSA-N    		 CCCCn1c(Cc2cccc(OC)c2)nc3c(N)ncnc13; CCC
    Cn1c(nc2c1ncnc2N)Cc3cccc(c3)OC; n1c(c2nc
    (n(c2nc1)CCCC)Cc3cccc(OC)c3)N    		 9-BUTYL-8-(3-METHOXYBENZYL)-9H-PURIN-6-AMINE
    32730
    PU6
    CHEMBL326564
    DB08436
    ZINC000003832017    		 1 C17 H19 N5 O2 InChI=1S/C17H19N5O2/c1-2-
    3-6-22-14(21-15-16(18)19-
    9-20-17(15)22)8-11-4-5-12
    -13(7-11)24-10-23-12/h4-5
    ,7,9H,2-3,6,8,10H2,1H3,(H
    2,18,19,20);
    JCDXXNIRWRRGBX-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3ccc4c(c3)OCO4; O1
    c2ccc(cc2OC1)Cc3nc4c(ncnc4n3CCCC)N; CCCC
    n1c(Cc2ccc3OCOc3c2)nc4c(N)ncnc14    		 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-9H-
    32731
    PU7
    CHEMBL113194
    DB02359
    ZINC000003832018    		 1 C18 H23 N5 O2 InChI=1S/C18H23N5O2/c1-4-
    5-8-23-15(22-16-17(19)20-
    11-21-18(16)23)10-12-9-13
    (24-2)6-7-14(12)25-3/h6-7
    ,9,11H,4-5,8,10H2,1-3H3,(
    H2,19,20,21);
    PPFZLLAIQRZNJE-UHFFFAOYSA-N    		 CCCCn1c(nc2c1ncnc2N)Cc3cc(ccc3OC)OC; n1c
    (c2nc(n(c2nc1)CCCC)Cc3cc(OC)ccc3OC)N; CC
    CCn1c(Cc2cc(OC)ccc2OC)nc3c(N)ncnc13    		 9-BUTYL-8-(2,5-DIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
    32732
    PU8
    CHEMBL112896
    DB03504
    ZINC000003832020    		 1 C19 H24 Cl N5 O3 InChI=1S/C19H24ClN5O3/c1-
    5-6-7-25-13(24-15-18(21)2
    2-10-23-19(15)25)9-11-8-1
    2(26-2)16(27-3)17(28-4)14
    (11)20/h8,10H,5-7,9H2,1-4
    H3,(H2,21,22,23);
    IVPCTHKPOPQMSX-UHFFFAOYSA-N    		 Clc1c(OC)c(OC)c(OC)cc1Cc3nc2c(ncnc2n3CCC
    C)N; CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc3
    c(N)ncnc13; CCCCn1c(nc2c1ncnc2N)Cc3cc(c(
    c(c3Cl)OC)OC)OC    		 9-BUTYL-8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9H-PURIN-6-YLAMINE
    32733
    PU9
    CHEMBL326523
    DB04505
    ZINC000005853200    		 1 C20 H22 Cl N5 O3 InChI=1S/C20H22ClN5O3/c1-
    5-6-7-8-26-14(25-16-19(22
    )23-11-24-20(16)26)10-12-
    9-13(27-2)17(28-3)18(29-4
    )15(12)21/h1,9,11H,6-8,10
    H2,2-4H3,(H2,22,23,24);
    WUJFGZAAFADPSF-UHFFFAOYSA-N    		 COc1cc(c(c(c1OC)OC)Cl)Cc2nc3c(ncnc3n2CCC
    C#C)N; COc1cc(Cc2nc3c(N)ncnc3n2CCCC#C)c(
    Cl)c(OC)c1OC; Clc1c(OC)c(OC)c(OC)cc1Cc3n
    c2c(ncnc2n3CCCC#C)N    		 8-(2-CHLORO-3,4,5-TRIMETHOXY-BENZYL)-9-PENT-4-YLNYL-9H-PURIN-6-YLAMINE
    32734
    PUA
    CHEMBL401150
    DB03186
    ZINC000095613423    		 2 C19 H27 N7 O20 P4 InChI=1S/C19H27N7O20P4/c2
    0-16-13-17(22-6-21-16)26(
    7-23-13)18-14(28)15(45-48
    (33,34)35)10(43-18)5-41-4
    9(36,37)46-50(38,39)44-8-
    3-12(25-2-1-11(27)24-19(2
    5)29)42-9(8)4-40-47(30,31
    )32/h1-2,6-10,12,14-15,18
    ,28H,3-5H2,(H,36,37)(H,38
    ,39)(H2,20,21,22)(H,24,27
    ,29)(H2,30,31,32)(H2,33,3
    4,35)/t8-,9+,10+,12+,14+,
    15+,18+/m0/s1;
    JIAJERGOUFOENU-LNAOLWRRSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@](=O)(O)O[P@](=O)(O)O[C@H]4C
    [C@@H](O[C@@H]4COP(=O)(O)O)N5C=CC(=O)NC5
    =O)OP(=O)(O)O)O)N; Nc1ncnc2n(cnc12)[CH]3
    O[CH](CO[P](O)(=O)O[P](O)(=O)O[CH]4C[CH]
    (O[CH]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[CH
    ](O[P](O)(O)=O)[CH]3O; c1nc(c2c(n1)n(cn2
    )C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OC4CC(OC4
    COP(=O)(O)O)N5C=CC(=O)NC5=O)OP(=O)(O)O)O
    )N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@
    ](O)(=O)O[P@@](O)(=O)O[C@H]4C[C@@H](O[C@
    @H]4CO[P](O)(O)=O)N5C=CC(=O)NC5=O)[C@@H]
    (O[P](O)(O)=O)[C@H]3O; O=C1C=CN(C(=O)N1)
    C5OC(COP(=O)(O)O)C(OP(=O)(O)OP(=O)(O)OCC
    4OC(n3cnc2c(ncnc23)N)C(O)C4OP(=O)(O)O)C5    		 ADENYLATE-3'-PHOSPHATE-[[2'-DEOXY-URIDINE-5'-PHOSPHATE]-3'-PHOSPHATE];
    U-PI-A-PI
    32735
    PUB
    ZINC000040164449    		 941 C33 H42 N4 O6 InChI=1S/C33H42N4O6/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/h15,26-27,35H,7-14H2,1
    -6H3,(H,36,43)(H,37,42)(H
    ,38,39)(H,40,41)/b28-15-/
    t26-,27+/m1/s1;
    KDCCOOGTVSRCHX-YYVBKQGDSA-N    		 CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C[C
    H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC
    (O)=O)c2C; CCC1=C(C(=O)NC1Cc2c(c(c([nH]2
    )C=C3C(=C(C(=N3)CC4C(=C(C(=O)N4)CC)C)C)C
    CC(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N[C@H]
    1Cc2c(c(c([nH]2)\C=C/3\C(=C(C(=N3)C[C@@H
    ]4C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)
    C)C; CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3
    /N=C(C[C@H]4NC(=O)C(=C4C)CC)C(=C3CCC(O)=
    O)C)c(CCC(O)=O)c2C    		 PHYCOUROBILIN
    32736
    PUC
    CHEMBL521784
    ZINC000008716754    		 8 C21 H34 O4 InChI=1S/C21H34O4/c1-2-3-
    6-9-17(22)12-13-19-18(16-
    14-20(19)25-15-16)10-7-4-
    5-8-11-21(23)24/h4,7,12-1
    3,16-20,22H,2-3,5-6,8-11,
    14-15H2,1H3,(H,23,24)/b7-
    4-,13-12+/t16-,17+,18+,19
    -,20-/m1/s1;
    LQANGKSBLPMBTJ-BRSNVKEHSA-N    		 CCCCCC(C=CC1C2CC(C1CC=CCCCC(=O)O)CO2)O;
    CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@@H]([C@
    @H]1C/C=C\CCCC(=O)O)CO2)O; CCCCC[CH](O)C
    =C[CH]1[CH]2C[CH](CO2)[CH]1CC=CCCCC(O)=O
    ; CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C[C@H](C
    O2)[C@@H]1C\C=C/CCCC(O)=O    		 (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid;
    15-Hydroxy-11 alpha,9 alpha-(epoxymethano)prosta-5,13-dienoic Acid
    32737
    PUD    		 4 C6 H12 O5 InChI=1S/C6H12O5/c1-3(8)5
    (10)6(11)4(9)2-7/h3,5-8,1
    0-11H,2H2,1H3/t3-,5-,6+/m
    0/s1;
    QZNPNKJXABGCRC-ZXEDONINSA-N    		 C[CH](O)[CH](O)[CH](O)C(=O)CO; C[C@H](O)
    [C@H](O)[C@H](O)C(=O)CO; CC(C(C(C(=O)CO)
    O)O)O; C(O)(C(C)O)C(C(CO)=O)O; C[C@@H]([
    C@@H]([C@@H](C(=O)CO)O)O)O    		 6-deoxy-L-psicose
    32738
    PUE
    ZINC000020357882    		 1 C11 H13 N O2 InChI=1S/C11H13NO2/c13-11
    (14)9-6-7-12(8-9)10-4-2-1
    -3-5-10/h1-5,9H,6-8H2,(H,
    13,14)/t9-/m1/s1;
    IOFLKIRLUFZCHR-SECBINFHSA-N    		 c1ccc(cc1)N2CCC(C2)C(=O)O; OC(=O)[CH]1CC
    N(C1)c2ccccc2; OC(=O)[C@@H]1CCN(C1)c2ccc
    cc2; c1ccc(cc1)N2CC[C@H](C2)C(=O)O    		 (3~{R})-1-phenylpyrrolidine-3-carboxylic acid
    32739
    PUF    		 3 C6 H12 O5 InChI=1S/C6H12O5/c1-3-4(8
    )5(9)6(10,2-7)11-3/h3-5,7
    -10H,2H2,1H3/t3-,4-,5-,6+
    /m0/s1;
    CJJCPDZKQKUXSS-OMMKOOBNSA-N    		 C[CH]1O[C](O)(CO)[CH](O)[CH]1O; C(O)C1(C
    (C(O)C(O1)C)O)O; C[C@H]1[C@@H]([C@@H]([C
    @](O1)(CO)O)O)O; CC1C(C(C(O1)(CO)O)O)O;
    C[C@@H]1O[C@](O)(CO)[C@@H](O)[C@H]1O    		 6-deoxy-alpha-L-psicofuranose;
    6-deoxy-alpha-L-psicose;
    6-deoxy-L-psicose;
    6-deoxy-psicose
    32740
    PUG
    CHEMBL1235497
    ZINC000058650741    		 17 C10 H14 N4 O7 InChI=1S/C10H14N4O7/c15-2
    -4(17)6(18)3(16)1-14-7-5(
    11-10(14)21)8(19)13-9(20)
    12-7/h3-4,6,15-18H,1-2H2,
    (H,11,21)(H2,12,13,19,20)
    /t3-,4-,6+/m1/s1;
    XIBHHWBJHOTHGZ-KODRXGBYSA-N    		 C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC
    1=O; O=C1C2=C(NC(=O)N1)N(C(=O)N2)CC(O)C(
    O)C(O)CO; OC[CH](O)[CH](O)[CH](O)CN1C(=O
    )NC2=C1NC(=O)NC2=O; C([C@H]([C@@H]([C@@H
    ](CO)O)O)O)N1C2=C(C(=O)NC(=O)N2)NC1=O; O
    C[C@@H](O)[C@@H](O)[C@H](O)CN1C(=O)NC2=C
    1NC(=O)NC2=O    		 3-(1,3,7-TRIHYDRO-9-D-RIBITYL-2,6,8-PURINETRIONE-7-YL)
    32741
    PUI
    CHEMBL5169665
    ZINC000225393408    		 1 C9 H9 N3 InChI=1S/C9H9N3/c1-6-5-8(
    10)12-7-3-2-4-11-9(6)7/h2
    -5H,1H3,(H2,10,12);
    SXHWPJIVPMKZBW-UHFFFAOYSA-N    		 Cc1cc(nc2c1nccc2)N; Cc1cc(N)nc2cccnc12 4-methyl-1,5-naphthyridin-2-amine
    32742
    PUJ    		 2 C39 H48 F2 N3 O5 Si InChI=1S/C39H47F2N3O5Si/c
    1-4-5-6-7-15-48-17-18-49-
    16-14-42-38(45)26-8-11-31
    (39(46)47)34(19-26)37-32-
    12-9-29(43-22-27(40)23-43
    )20-35(32)50(2,3)36-21-30
    (10-13-33(36)37)44-24-28(
    41)25-44/h8-13,19-21,27-2
    8H,4-7,14-18,22-25H2,1-3H
    3,(H-,42,45,46,47)/p+1;
    WMFJHJNMBLRDFB-UHFFFAOYSA-O    		 c15c(ccc(c1)N2CC(F)C2)C(c3c(ccc(c3)C(NCC
    OCCOCCCCCC)=O)C(O)=O)=C6C=C\C(=[N+]4/CC(
    F)C4)C=C6[Si]5(C)C; CCCCCCOCCOCCNC(=O)c1
    ccc(C(O)=O)c(c1)C2=C3C=C[C](C=C3[Si](C)(
    C)c4cc(ccc24)N5CC(F)C5)=[N+]6C[CH](F)C6;
    CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=CC(
    =[N+]4CC(C4)F)C=C3[Si](c5c2ccc(c5)N6CC(C
    6)F)(C)C)C(=O)O    		 (1E,3S)-1-{10-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-7-(3-fluoroazetidin-1-yl)-5,5-dimethyldibenz o[b,e]silin-3(5H)-ylidene}-3-fluoroazetidin-1-ium;
    JF635
    32743
    PUK    		 0 C18 H22 N2 O2 InChI=1S/C18H22N2O2/c19-1
    6(11-14-7-3-1-4-8-14)13-2
    0-17(18(21)22)12-15-9-5-2
    -6-10-15/h1-10,16-17,20H,
    11-13,19H2,(H,21,22)/t16-
    ,17-/m0/s1;
    DOVYKTPJUZCUGU-IRXDYDNUSA-N    		 c1ccc(cc1)CC(CNC(Cc2ccccc2)C(=O)O)N; c1c
    cc(cc1)C[C@@H](CN[C@@H](Cc2ccccc2)C(=O)O
    )N; N[CH](CN[CH](Cc1ccccc1)C(O)=O)Cc2ccc
    cc2; O=C(O)C(NCC(N)Cc1ccccc1)Cc2ccccc2;
    N[C@H](CN[C@@H](Cc1ccccc1)C(O)=O)Cc2cccc
    c2    		 N-[(2S)-2-amino-3-phenylpropyl]-L-phenylalanine
    32744
    PUL    		 2 C47 H66 O13 InChI=1S/C47H66O13/c1-29-
    20-19-21-31(3)42(53)38(50
    )24-17-11-10-12-18-25-40(
    60-41(52)27-26-30(2)39(51
    )28-29)33(5)43(54)32(4)36
    (48)22-15-13-14-16-23-37(
    49)34(6)58-47-46(57-9)44(
    55)45(56-8)35(7)59-47/h10
    -24,26,28,32-35,37-40,43-
    47,49-51,54-55H,25,27H2,1
    -9H3/b11-10+,14-13+,18-12
    +,20-19+,22-15+,23-16+,24
    -17+,29-28+,30-26+,31-21+
    /t32-,33-,34+,35-,37+,38+
    ,39-,40+,43-,44+,45+,46-,
    47-/m1/s1;
    FXSFWUNCIOIMAC-VXILMCRLSA-N    		 O=C1C(=CC=CC(=CC(O)C(=CCC(=O)OC(CC=CC=CC
    =CC1O)C(C)C(O)C(C(=O)\C=C\C=C\C=C\C(O)C(
    OC2OC(C(OC)C(O)C2OC)C)C)C)C)C)C; CC1C(C(
    C(C(O1)OC(C)C(C=CC=CC=CC(=O)C(C)C(C(C)C2
    CC=CC=CC=CC(C(=O)C(=CC=CC(=CC(C(=CCC(=O)
    O2)C)O)C)C)O)O)O)OC)O)OC; CO[CH]1[CH](C)
    O[CH](O[CH](C)[CH](O)C=CC=CC=CC(=O)[CH](
    C)[CH](O)[CH](C)[CH]2CC=CC=CC=C[CH](O)C(
    =O)C(=CC=CC(=C[CH](O)C(=CCC(=O)O2)C)C)C)
    [CH](OC)[CH]1O; CO[C@H]1[C@@H](C)O[C@@H]
    (O[C@@H](C)[C@@H](O)/C=C/C=C/C=C/C(=O)[C
    @@H](C)[C@@H](O)[C@H](C)[C@@H]2C/C=C/C=C
    /C=C/[C@H](O)C(=O)\C(=C\C=C\C(=C\[C@@H](
    O)\C(=C\CC(=O)O2)C)C)C)[C@H](OC)[C@H]1O;
    C[C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O
    [C@@H](C)[C@H](\C=C\C=C\C=C\C(=O)[C@@H](
    C)[C@H]([C@H](C)[C@@H]2C\C=C\C=C\C=C\[C@
    @H](C(=O)C(=C\C=C\C(=C\[C@H](/C(=C/CC(=O
    )O2)/C)O)\C)C)O)O)O)OC)O)OC    		 (1S,2S,3E,5E,7E,10S,11S,12S)-12-[(2R,4E,6E,8Z,10R,12E,14E,16Z,18S,19Z)-10,18-DIHYDROXY-12,16,19-TRIMETHYL-11,22-DIOXOOX ACYCLODOCOSA-4,6,8,12,14,16,19-HEPTAEN-2-YL]-2,11-DIHYDROXY-1,10-DIMETHYL-9-OXOTRIDECA-3,5,7-TRIEN-1-YL 6-DEOXY-2,4-DI-O-METHYL-BETA-L-GALACTOPYRANOSIDE;
    PULVOMYCIN
    32745
    PUM
    ZINC000150304238    		 1 C17 H26 N8 O9 InChI=1S/C17H26N8O9/c18-9
    (26)2-1-7(25(33)10(27)5-2
    2-16(19)20)15(31)21-4-8-1
    1(28)12(29)13(34-8)6-3-23
    -17(32)24-14(6)30/h3,7-8,
    11-13,28-29,33H,1-2,4-5H2
    ,(H2,18,26)(H,21,31)(H4,1
    9,20,22)(H2,23,24,30,32)/
    t7-,8+,11+,12+,13-/m0/s1;
    XDEYHXABZOKKDZ-YFKLLHAASA-N    		 C1=C(C(=O)NC(=O)N1)C2C(C(C(O2)CNC(=O)C(C
    CC(=O)N)N(C(=O)CNC(=N)N)O)O)O; [H]/N=C(/
    N)\NCC(=O)N([C@@H](CCC(=O)N)C(=O)NC[C@@H
    ]1[C@H]([C@H]([C@@H](O1)C2=CNC(=O)NC2=O)
    O)O)O; NC(=N)NCC(=O)N(O)[C@@H](CCC(N)=O)
    C(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)C2=
    CNC(=O)NC2=O; O=C1C(=CNC(N1)=O)C2OC(C(C2
    O)O)CNC(=O)C(N(O)C(=O)CN/C(N)=N)CCC(N)=O
    ; NC(=N)NCC(=O)N(O)[CH](CCC(N)=O)C(=O)NC
    [CH]1O[CH]([CH](O)[CH]1O)C2=CNC(=O)NC2=O    		 (1S)-1,4-anhydro-5-[(N-carbamimidoylglycyl-N~2~-hydroxy-L-glutaminyl)amino]-5-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-ribitol;
    pseudouridimycin
    32746
    PUN    		 1 C16 H34 InChI=1S/C16H34/c1-13(2)1
    0-15(6,7)12-16(8,9)11-14(
    3,4)5/h13H,10-12H2,1-9H3;
    RDUBCTHNBWFPTP-UHFFFAOYSA-N    		 CC(C)CC(C)(C)CC(C)(C)CC(C)(C)C; CC(CC(CC
    (CC(C)C)(C)C)(C)C)(C)C    		 2,2,4,4,6,6,8-heptamethylnonane
    32747
    PUO    		 1 C24 H24 Cl F N2 O3 InChI=1S/C24H24ClFN2O3/c1
    -3-6-15-11-16-12-27-9-10-
    28(20(30)4-2)13-17(27)14-
    31-24(16)23(26)21(15)22-1
    8(25)7-5-8-19(22)29/h5,7-
    8,11,17,29H,4,9-10,12-14H
    2,1-2H3/t17-/m1/s1;
    JBRIYRDJXQTWRH-QGZVFWFLSA-N    		 CCC(=O)N1CCN2Cc3cc(c(c(c3OCC2C1)F)c4c(cc
    cc4Cl)O)C#CC; CCC(=O)N1CCN2Cc3cc(c(c(c3O
    C[C@H]2C1)F)c4c(cccc4Cl)O)C#CC; CCC(=O)N
    1CCN2Cc3cc(C#CC)c(c(F)c3OC[CH]2C1)c4c(O)
    cccc4Cl; CCC(=O)N1CCN2Cc3cc(C#CC)c(c(F)c
    3OC[C@H]2C1)c4c(O)cccc4Cl    		 1-[(4~{a}~{R})-8-(2-chloranyl-6-oxidanyl-phenyl)-7-fluoranyl-9-prop-1-ynyl-1,2,4,4~{a},5,11-hexahydropyrazino[2,1-c][1,4]benzoxazepin-3-yl]propan-1-one
    32748
    PUP
    ZINC000098209323    		 1 C14 H22 N2 O15 P2 InChI=1S/C14H22N2O15P2/c1
    7-3-7-11(6(18)4-27-7)31-3
    3(25,26)28-5-8-12(30-32(2
    2,23)24)10(20)13(29-8)16-
    2-1-9(19)15-14(16)21/h1-2
    ,6-8,10-13,17-18,20H,3-5H
    2,(H,25,26)(H,15,19,21)(H
    2,22,23,24)/t6-,7+,8+,10+
    ,11-,12+,13+/m0/s1;
    CTEYAHSJKMGMOL-HHUJUQMJSA-N    		 OC[C@H]1OC[C@H](O)[C@@H]1O[P](O)(=O)OC[C
    @H]2O[C@H]([C@H](O)[C@@H]2O[P](O)(O)=O)N
    3C=CC(=O)NC3=O; C1C(C(C(O1)CO)OP(=O)(O)O
    CC2C(C(C(O2)N3C=CC(=O)NC3=O)O)OP(=O)(O)O
    )O; C1[C@@H]([C@@H]([C@H](O1)CO)OP(=O)(O
    )OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=
    O)NC3=O)O)OP(=O)(O)O)O; OC[CH]1OC[CH](O)
    [CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O[P](O)(O)=O)N3C=CC(=O)NC3=O; O=P(OC1C(
    O)COC1CO)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O
    )C3OP(=O)(O)O
    32749
    PUQ    		 1 C21 H22 O10 InChI=1S/C21H22O10/c22-8-
    16-17(26)18(27)19(28)21(3
    1-16)30-15-7-12-13(25)5-1
    1(24)6-14(12)29-20(15)9-1
    -3-10(23)4-2-9/h1-7,16-28
    H,8H2/t16-,17-,18+,19-,20
    ?,21+/m0/s1;
    SNGNSJWVINEVCL-FGWZRKRKSA-N    		 OC[CH]1O[CH](OC2=Cc3c(O)cc(O)cc3O[CH]2c4
    ccc(O)cc4)[CH](O)[CH](O)[CH]1O; c1cc(ccc
    1C2C(=Cc3c(cc(cc3O2)O)O)O[C@H]4[C@H]([C@
    @H]([C@H]([C@@H](O4)CO)O)O)O)O; c1cc(ccc
    1C2C(=Cc3c(cc(cc3O2)O)O)OC4C(C(C(C(O4)CO
    )O)O)O)O; OC[C@@H]1O[C@@H](OC2=Cc3c(O)cc
    (O)cc3O[C@H]2c4ccc(O)cc4)[C@@H](O)[C@H](
    O)[C@H]1O    		 pelargonidin 3-O-beta-D-glucoside;
    (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-[[2-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-2~{H}-chromen-3-yl]oxy]oxane-3,4,5-triol
    32750
    PUR    		 2 C10 H13 N4 O4 InChI=1S/C10H12N4O4/c15-2
    -6-7(16)8(17)10(18-6)14-4
    -13-5-1-11-3-12-9(5)14/h1
    ,3-4,6-8,10,15-17H,2H2/p+
    1/t6-,7-,8-,10-/m1/s1;
    MRWXACSTFXYYMV-FDDDBJFASA-O    		 c1c2c(ncn1)n(c[nH+]2)C3C(C(C(O3)CO)O)O;
    OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c[nH+]
    c3cncnc23; c1c2c(ncn1)n(c[nH+]2)[C@H]3[C
    @@H]([C@@H]([C@H](O3)CO)O)O; OC[CH]1O[CH
    ]([CH](O)[CH]1O)n2c[nH+]c3cncnc23; OCC3O
    C(n2c[nH+]c1cncnc12)C(O)C3O    		 PURINE RIBOSIDE
    32751
    PUS
    ZINC000263620707    		 2 C12 H17 N4 O9 P InChI=1S/C12H17N4O9P/c1-6
    -10(17)8(7(2-14-6)4-25-26
    (21,22)23)3-15-9(11(18)19
    )5-24-16-12(13)20/h2-3,9,
    17H,4-5H2,1H3,(H,18,19)(H
    3,13,16,20)(H2,21,22,23)/
    b15-3+/t9-/m0/s1;
    LKTMSPZJJUSLRR-FUOCOAHQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(CONC(=O)N)
    C(=O)O)O; N(/C(CONC(N)=O)C(O)=O)=C\c1c(c
    (ncc1COP(O)(=O)O)C)O; Cc1ncc(CO[P](O)(O)
    =O)c(C=N[CH](CONC(N)=O)C(O)=O)c1O; Cc1c(
    c(c(cn1)COP(=O)(O)O)/C=N/[C@@H](CONC(=O)
    N)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C=N[C
    @@H](CONC(N)=O)C(O)=O)c1O    		 (E)-O-(carbamoylamino)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
    32752
    PUT
    CHEMBL46257
    DB01917
    ZINC000005828633    		 61 C4 H12 N2 InChI=1S/C4H12N2/c5-3-1-2
    -4-6/h1-6H2;
    KIDHWZJUCRJVML-UHFFFAOYSA-N    		 C(CCN)CN; NCCCCN 1,4-DIAMINOBUTANE;
    PUTRESCINE
    32753
    PUU    		 3 C21 H18 Cl N3 O2 InChI=1S/C21H18ClN3O2/c1-
    13(26)25-9-8-17(18-10-15(
    22)6-7-20(18)25)21(27)24-
    19-12-23-11-14-4-2-3-5-16
    (14)19/h2-7,10-12,17H,8-9
    H2,1H3,(H,24,27)/t17-/m1/
    s1;
    OYAZCEPXBNBUAT-QGZVFWFLSA-N    		 CC(=O)N1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cn
    cc4c3cccc4; CC(=O)N1CC[C@@H](C(=O)Nc2cnc
    c3ccccc23)c4cc(Cl)ccc14; CC(=O)N1CCC(c2c
    1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4; CC(=O)N
    1CC[CH](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc
    14; CC(=O)N1CCC(c2cc(Cl)ccc21)C(=O)Nc1cn
    cc2ccccc21    		 (4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide
    32754
    PUV    		 1 C23 H22 F N3 O5 S InChI=1S/C23H22FN3O5S/c1-
    23(12-20(28)27-22-25-7-8-
    33-22)16-11-19(18(31-2)9-
    13(16)5-6-26-23)32-14-3-4
    -15(21(29)30)17(24)10-14/
    h3-4,7-11,26H,5-6,12H2,1-
    2H3,(H,29,30)(H,25,27,28)
    /t23-/m1/s1;
    PZYUALDJGJBZEM-HSZRJFAPSA-N    		 c1cc(cc(c1C(O)=O)F)Oc2cc3c(cc2OC)CCNC3(C
    )CC(Nc4nccs4)=O; COc1cc2CCN[C](C)(CC(=O)
    Nc3sccn3)c2cc1Oc4ccc(C(O)=O)c(F)c4; COc1
    cc2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc
    (C(O)=O)c(F)c4; CC1(c2cc(c(cc2CCN1)OC)Oc
    3ccc(c(c3)F)C(=O)O)CC(=O)Nc4nccs4; C[C@]
    1(c2cc(c(cc2CCN1)OC)Oc3ccc(c(c3)F)C(=O)O
    )CC(=O)Nc4nccs4    		 2-fluoro-4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    32755
    PUW    		 2 C6 H15 N2 O4 P InChI=1S/C6H15N2O4P/c7-3-
    1-2-4-8-6(9)5-13(10,11)12
    /h1-5,7H2,(H,8,9)(H2,10,1
    1,12);
    VJPDOEGJBRLVCO-UHFFFAOYSA-N    		 O=C(NCCCCN)CP(=O)(O)O; C(CCNC(=O)CP(=O)(
    O)O)CN; NCCCCNC(=O)C[P](O)(O)=O    		 N-(PHOSPHONOACETYL)-PUTRESCINE
    32756
    PUX
    CHEMBL109822
    DB04254
    ZINC000003833895    		 1 C17 H18 F N5 O2 InChI=1S/C17H18FN5O2/c1-2
    -3-6-23-13(20-14-15(19)21
    -17(18)22-16(14)23)8-10-4
    -5-11-12(7-10)25-9-24-11/
    h4-5,7H,2-3,6,8-9H2,1H3,(
    H2,19,21,22);
    ARWHTQLGMWHTAZ-UHFFFAOYSA-N    		 CCCCn1c(Cc2ccc3OCOc3c2)nc4c(N)nc(F)nc14;
    Fc1nc2n(c(nc2c(n1)N)Cc3ccc4OCOc4c3)CCCC
    ; CCCCn1c(nc2c1nc(nc2N)F)Cc3ccc4c(c3)OCO
    4    		 8-BENZO[1,3]DIOXOL-,5-YLMETHYL-9-BUTYL-2-FLUORO-9H-PURIN-6-YLAMINE
    32757
    PUY
    CHEMBL469912
    DB08437
    ZINC000053147179    		 7 C22 H29 N7 O5 InChI=1S/C22H29N7O5/c1-28
    (2)19-17-20(25-10-24-19)2
    9(11-26-17)22-18(31)16(15
    (9-30)34-22)27-21(32)14(2
    3)8-12-4-6-13(33-3)7-5-12
    /h4-7,10-11,14-16,18,22,3
    0-31H,8-9,23H2,1-3H3,(H,2
    7,32)/t14-,15+,16+,18+,22
    +/m0/s1;
    RXWNCPJZOCPEPQ-NVWDDTSBSA-N    		 O=C(NC3C(OC(n2cnc1c2ncnc1N(C)C)C3O)CO)C(
    N)Cc4ccc(OC)cc4; COc1ccc(C[C@H](N)C(=O)N
    [C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)n3cnc4c
    (ncnc34)N(C)C)cc1; CN(C)c1c2c(ncn1)n(cn2
    )C3C(C(C(O3)CO)NC(=O)C(Cc4ccc(cc4)OC)N)O
    ; CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@
    @H]([C@H](O3)CO)NC(=O)[C@H](Cc4ccc(cc4)O
    C)N)O; COc1ccc(C[CH](N)C(=O)N[CH]2[CH](O
    )[CH](O[CH]2CO)n3cnc4c(ncnc34)N(C)C)cc1    		 PUROMYCIN
    32758
    PUZ
    CHEMBL326082
    DB03137
    ZINC000003833894    		 1 C19 H20 F N5 O2 InChI=1S/C19H20FN5O2/c1-4
    -5-6-9-25-15(22-16-17(21)
    23-19(20)24-18(16)25)11-1
    2-10-13(26-2)7-8-14(12)27
    -3/h1,7-8,10H,5-6,9,11H2,
    2-3H3,(H2,21,23,24);
    RMOYVWKKOKERSW-UHFFFAOYSA-N    		 COc1ccc(OC)c(Cc2nc3c(N)nc(F)nc3n2CCCC#C)
    c1; Fc1nc(c2nc(n(c2n1)CCCC#C)Cc3cc(OC)cc
    c3OC)N; COc1ccc(c(c1)Cc2nc3c(nc(nc3n2CCC
    C#C)F)N)OC    		 8-(2,5-DIMETHOXY-BENZYL)-2-FLUORO-9-PENT-9H-PURIN-6-YLAMINE
    32759
    PV0
    CHEMBL4082531
    ZINC000095920683    		 1 C14 H13 N O6 S InChI=1S/C14H13NO6S/c16-9
    -1-2-14(13(19)4-9)22(20,2
    1)15-6-8-3-10(17)5-12(18)
    11(8)7-15/h1-5,16-19H,6-7
    H2;
    SVUZJWAAXPEMKJ-UHFFFAOYSA-N    		 c1cc(c(cc1O)O)S(=O)(=O)N2Cc3cc(cc(c3C2)O
    )O; Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3cc(O)c
    c(O)c3C2; O=S(=O)(c1ccc(O)cc1O)N3Cc2cc(O
    )cc(O)c2C3    		 2-[(2,4-dihydroxyphenyl)sulfonyl]-2,3-dihydro-1H-isoindole-4,6-diol
    32760
    PV1
    CHEMBL4168598
    ZINC000034777595    		 1 C15 H12 Br N O3 InChI=1S/C15H12BrNO3/c16-
    12-5-11(13(18)6-14(12)19)
    15(20)17-7-9-3-1-2-4-10(9
    )8-17/h1-6,18-19H,7-8H2;
    OTKZPCDLOLLPPV-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)C(=O)c3cc(c(cc3O)O)Br;
    Oc1cc(O)c(cc1Br)C(=O)N2Cc3ccccc3C2; Brc1
    cc(c(O)cc1O)C(=O)N3Cc2ccccc2C3    		 (5-bromo-2,4-dihydroxyphenyl)(1,3-dihydro-2H-isoindol-2-yl)methanone
    32761
    PV2
    ZINC000095920913    		 1 C14 H13 N O4 S InChI=1S/C14H13NO4S/c16-1
    2-5-6-14(13(17)7-12)20(18
    ,19)15-8-10-3-1-2-4-11(10
    )9-15/h1-7,16-17H,8-9H2;
    GBZLIDQSMMVGSH-UHFFFAOYSA-N    		 c1ccc2c(c1)CN(C2)S(=O)(=O)c3ccc(cc3O)O;
    Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccccc3C2;
    O=S(=O)(c1ccc(O)cc1O)N3Cc2ccccc2C3    		 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol
    32762
    PV3
    ZINC000040732681    		 1 C20 H19 Cl N2 O InChI=1S/C20H19ClN2O/c21-
    19-6-3-4-17(12-19)15-24-2
    0-7-2-1-5-18(20)14-23-13-
    16-8-10-22-11-9-16/h1-12,
    23H,13-15H2;
    YRYYIHISROZCQD-UHFFFAOYSA-N    		 c1ccc(c(c1)CNCc2ccncc2)OCc3cccc(c3)Cl; C
    lc1cccc(COc2ccccc2CNCc3ccncc3)c1; Clc1cc
    cc(c1)COc1ccccc1CNCc1ccncc1    		 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-4-yl)methyl]methanamine
    32763
    PV4
    ZINC000034962079    		 11 C15 H16 O2 InChI=1S/C15H16O2/c1-2-6-
    12-9-10-15(14(16)11-12)17
    -13-7-4-3-5-8-13/h3-5,7-1
    1,16H,2,6H2,1H3;
    JOZACDNAOCTHDN-UHFFFAOYSA-N    		 CCCc1ccc(Oc2ccccc2)c(O)c1; O(c1ccccc1)c2
    ccc(cc2O)CCC; CCCc1ccc(c(c1)O)Oc2ccccc2    		 2-phenoxy-5-propyl-phenol
    32764
    PV5
    CHEMBL4748924    		 1 C21 H16 F N7 O InChI=1S/C21H16FN7O/c1-12
    -14(3-2-5-24-12)17-10-26-
    21(29-11-27-28-20(17)29)2
    5-9-16-15-4-6-30-19(15)13
    (8-23)7-18(16)22/h2-3,5,7
    ,10-11H,4,6,9H2,1H3,(H,25
    ,26);
    HTLKMVIYVDETDN-UHFFFAOYSA-N    		 Cc1ncccc1c2cnc(NCc3c(F)cc(C#N)c4OCCc34)n
    5cnnc25; Cc1c(cccn1)c2cnc(n3c2nnc3)NCc4c
    (cc(c5c4CCO5)C#N)F    		 5-fluoranyl-4-[[[8-(2-methylpyridin-3-yl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-yl]amino]methyl]-2,3-dihydro-1-benzofuran-7-carbonitrile
    32765
    PV6
    ZINC000001603710    		 2 C7 H7 N O S InChI=1S/C7H7NOS/c8-7(9)5
    -3-1-2-4-6(5)10/h1-4,10H,
    (H2,8,9);
    RIDMSOMIFFTEJO-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)N)S; O=C(N)c1ccccc1S; NC
    (=O)c1ccccc1S    		 2-sulfanylbenzamide
    32766
    PV7    		 1 C23 H23 N3 O5 S InChI=1S/C23H23N3O5S/c1-2
    3(13-20(27)26-22-24-9-10-
    32-22)17-12-19(18(30-2)11
    -15(17)7-8-25-23)31-16-5-
    3-14(4-6-16)21(28)29/h3-6
    ,9-12,25H,7-8,13H2,1-2H3,
    (H,28,29)(H,24,26,27)/t23
    -/m1/s1;
    CPPVZZXHKAJGRZ-HSZRJFAPSA-N    		 C[C@]1(c2cc(c(cc2CCN1)OC)Oc3ccc(cc3)C(=O
    )O)CC(=O)Nc4nccs4; CC1(c2cc(c(cc2CCN1)OC
    )Oc3ccc(cc3)C(=O)O)CC(=O)Nc4nccs4; COc1c
    c2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(
    cc4)C(O)=O; c1c3c(cc(OC)c1Oc2ccc(C(O)=O)
    cc2)CCNC3(C)CC(Nc4nccs4)=O; COc1cc2CCN[C
    ](C)(CC(=O)Nc3sccn3)c2cc1Oc4ccc(cc4)C(O)
    =O    		 4-{[(1R)-6-methoxy-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    32767
    PV8
    CHEMBL4062355
    ZINC000095920797    		 1 C14 H13 N O5 S InChI=1S/C14H13NO5S/c16-1
    1-2-1-9-7-15(8-10(9)5-11)
    21(19,20)14-4-3-12(17)6-1
    3(14)18/h1-6,16-18H,7-8H2;
    WRKXOYGLVREKOE-UHFFFAOYSA-N    		 c1cc2c(cc1O)CN(C2)S(=O)(=O)c3ccc(cc3O)O;
    Oc1ccc(c(O)c1)[S](=O)(=O)N2Cc3ccc(O)cc3
    C2; O=S(=O)(c1ccc(O)cc1O)N3Cc2ccc(O)cc2C
    3    		 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol
    32768
    PV9
    CHEMBL1201753
    DB08860
    ZINC000001534965    		 1 C25 H24 F N O4 InChI=1S/C25H24FNO4/c26-1
    7-9-7-15(8-10-17)24-20-3-
    1-2-4-22(20)27-25(16-5-6-
    16)21(24)12-11-18(28)13-1
    9(29)14-23(30)31/h1-4,7-1
    2,16,18-19,28-29H,5-6,13-
    14H2,(H,30,31)/b12-11+/t1
    8-,19-/m1/s1;
    VGYFMXBACGZSIL-MCBHFWOFSA-N    		 O=C(O)CC(O)CC(O)/C=C/c1c(c2ccccc2nc1C1CC
    1)c1ccc(F)cc1; O[CH](C[CH](O)C=Cc1c(nc2c
    cccc2c1c3ccc(F)cc3)C4CC4)CC(O)=O; O[C@H]
    (C[C@H](O)/C=C/c1c(nc2ccccc2c1c3ccc(F)cc
    3)C4CC4)CC(O)=O; c1ccc2c(c1)c(c(c(n2)C3C
    C3)C=CC(CC(CC(=O)O)O)O)c4ccc(cc4)F; c1cc
    c2c(c1)c(c(c(n2)C3CC3)/C=C/[C@H](C[C@H](
    CC(=O)O)O)O)c4ccc(cc4)F    		 Pitavastatin;
    (3R,5S,6E)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoic acid
    32769
    PVA
    ZINC000002569589    		 0 C4 H12 N O3 P InChI=1S/C4H12NO3P/c1-3(2
    )4(5)9(6,7)8/h3-4H,5H2,1-
    2H3,(H2,6,7,8)/t4-/m1/s1;
    DGSLPJDIFKVSIB-SCSAIBSYSA-N    		 CC(C)C(N)P(=O)(O)O; CC(C)[C@H](N)P(=O)(O
    )O; O=P(O)(O)C(N)C(C)C; CC(C)[CH](N)[P](
    O)(O)=O; CC(C)[C@H](N)[P](O)(O)=O    		 1-AMINO-2-METHYL-PROPYLPHOSPHONIC ACID
    32770
    PVB
    CHEMBL23254
    DB02733
    ZINC000000582590    		 6 C20 H25 Cl N6 O3 InChI=1S/C20H25ClN6O3/c1-
    10(2)15(8-28)24-20-25-17(
    16-18(26-20)27(9-22-16)11
    (3)4)23-12-5-6-13(19(29)3
    0)14(21)7-12/h5-7,9-11,15
    ,28H,8H2,1-4H3,(H,29,30)(
    H2,23,24,25,26)/t15-/m0/s
    1;
    ZKDXRFMOHZVXSG-HNNXBMFYSA-N    		 CC(C)[C@H](CO)Nc1nc(c2c(n1)n(cn2)C(C)C)N
    c3ccc(c(c3)Cl)C(=O)O; CC(C)C(CO)Nc1nc(c2
    c(n1)n(cn2)C(C)C)Nc3ccc(c(c3)Cl)C(=O)O;
    CC(C)[CH](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2
    )c3ncn(C(C)C)c3n1; CC(C)[C@H](CO)Nc1nc(N
    c2ccc(C(O)=O)c(Cl)c2)c3ncn(C(C)C)c3n1; O
    =C(O)c1ccc(cc1Cl)Nc3nc(nc2c3ncn2C(C)C)NC
    (C(C)C)CO    		 PURVALANOL B;
    2-CHLORO-4-{[2-{[(1R)-1-(HYDROXYMETHYL)-2-METHYLPROPYL]AMINO}-9-(1-METHYLETHYL)-9H-PURIN-6-YL]AMINO}BENZOIC ACID
    32771
    PVC
    DB08438
    ZINC000100036745    		 1 C22 H40 O8 InChI=1S/C22H40O8/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-18(24)30-16-17(23)19
    (25)20(26)21(27)22(28)29/
    h17,19,23,25-27H,2-16H2,1
    H3,(H,28,29)/b21-20-/t17-
    ,19+/m0/s1;
    XWTWKBKNEMLBKW-KCWNHAIFSA-N    		 O=C(OCC(O)C(O)C(/O)=C(/O)C(=O)O)CCCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C
    @H](/C(=C(\C(=O)O)/O)/O)O)O; CCCCCCCCCCC
    CCCCC(=O)OC[CH](O)[CH](O)C(O)=C(O)C(O)=O
    ; CCCCCCCCCCCCCCCC(=O)OC[C@H](O)[C@@H](O
    )\C(O)=C(O)/C(O)=O; CCCCCCCCCCCCCCCC(=O)
    OCC(C(C(=C(C(=O)O)O)O)O)O    		 (2E,4R,5S)-2,3,4,5-TETRAHYDROXY-6-(PALMITOYLOXY)HEX-2-ENOIC ACID
    32772
    PVE
    ZINC000103554187    		 10 C17 H18 N3 O7 InChI=1S/C17H17N3O7/c21-1
    2-6-8-5-9(19-14(23)1-2-15
    (24)25)16-18-4-3-10(17(26
    )27)20(16)11(8)7-13(12)22
    /h5-7,10H,1-4H2,(H5,18,19
    ,21,22,23,24,25,26,27)/p+
    1/t10-/m0/s1;
    PKIXPGNFUHEBHN-JTQLQIEISA-O    		 c1c2cc(c(cc2[n+]3c(c1NC(=O)CCC(=O)O)NCCC
    3C(=O)O)O)O; OC(=O)CCC(=O)Nc1cc2cc(O)c(O
    )cc2[n+]3[CH](CCNc13)C(O)=O; c1c2cc(c(cc
    2[n+]3c(c1NC(=O)CCC(=O)O)NCC[C@H]3C(=O)O
    )O)O; OC(=O)CCC(=O)Nc1cc2cc(O)c(O)cc2[n+
    ]3[C@@H](CCNc13)C(O)=O; O=C(O)CCC(=O)Nc1
    cc3c([n+]2c1NCCC2C(=O)O)cc(O)c(O)c3    		 (1S)-1-CARBOXY-5-[(3-CARBOXYPROPANOYL)AMINO]-8,9-DIHYDROXY-1,2,3,4-TETRAHYDROPYRIMIDO[1,2-A]QUINOLIN-11-IUM
    32773
    PVF
    ZINC000011801327    		 1 C14 H14 Cl N O InChI=1S/C14H14ClNO/c15-1
    3-6-4-11(5-7-13)10-17-14-
    3-1-2-12(8-14)9-16/h1-8H,
    9-10,16H2;
    CHSPACIWWGSTQT-UHFFFAOYSA-N    		 Clc1ccc(COc2cc(CN)ccc2)cc1; NCc1cccc(OCc
    2ccc(Cl)cc2)c1; c1cc(cc(c1)OCc2ccc(cc2)C
    l)CN    		 1-{3-[(4-chlorophenyl)methoxy]phenyl}methanamine
    32774
    PVG
    ZINC000098209324    		 2 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/h13,15,27,35H,7-12,14H
    2,1-6H3,(H,36,43)(H,37,42
    )(H,38,39)(H,40,41)/b26-1
    3+,28-15-/t27-/m0/s1;
    YWHXTEHCIWOHBT-STWNLGFLSA-N    		 CCC1=C(C(=O)N[C@H]1Cc2c(c(c([nH]2)/C=C\3
    /C(=C(C(=N3)/C=C/4\C(=C(C(=O)N4)CC)C)C)C
    CC(=O)O)CCC(=O)O)C)C; CCC1=C(C)C(=O)N[CH
    ]1Cc2[nH]c(C=C3N=C(C=C4NC(=O)C(=C4C)CC)C
    (=C3CCC(O)=O)C)c(CCC(O)=O)c2C; CCC1=C(C(
    =O)NC1Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)C=C4
    C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C)
    C; CCC1=C(C)C(=O)N[C@H]1Cc2[nH]c(\C=C3/N
    =C(\C=C/4NC(=O)C(=C/4C)CC)C(=C3CCC(O)=O)
    C)c(CCC(O)=O)c2C    		 Phycoviolobilin, green light-absorbing form
    32775
    PVH    		 18 C7 H12 N3 O2 InChI=1S/C7H11N3O2/c1-12-
    7(11)6(8)2-5-3-9-4-10-5/h
    3-4,6H,2,8H2,1H3,(H,9,10)
    /p+1/t6-/m0/s1;
    BXRMEWOQUXOLDH-LURJTMIESA-O    		 COC(=O)C(Cc1c[nH]c[nH+]1)N; COC(=O)[C@H]
    (Cc1c[nH]c[nH+]1)N; COC(=O)[CH](N)Cc1c[n
    H]c[nH+]1; COC(=O)[C@@H](N)Cc1c[nH]c[nH+
    ]1; O=C(OC)C(N)Cc1cnc[nH+]1    		 HISTIDINE-METHYL-ESTER
    32776
    PVI
    CHEMBL1794750    		 4 C7 H11 N O4 InChI=1S/C7H11NO4/c8-4-1-
    3(7(11)12)2-5(9)6(4)10/h1
    ,4-6,9-10H,2,8H2,(H,11,12
    )/t4-,5+,6+/m0/s1;
    WPZSUTUAATWRPU-KVQBGUIXSA-N    		 N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O; C1[C@H]
    ([C@@H](C(C=C1C(=O)O)N)O)O; N[C@H]1C=C(C
    [C@@H](O)[C@@H]1O)C(O)=O; C1C(C(C(C=C1C(
    =O)O)N)O)O    		 (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid;
    (4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid
    32777
    PVJ    		 1 C28 H30 F N3 O6 S InChI=1S/C28H30FN3O6S/c1-
    28(15-25(33)32-27-30-9-11
    -39-27)21-14-24(38-18-5-6
    -20(26(34)35)22(29)13-18)
    23(12-17(21)7-8-31-28)37-
    16-19-4-2-3-10-36-19/h5-6
    ,9,11-14,19,31H,2-4,7-8,1
    0,15-16H2,1H3,(H,34,35)(H
    ,30,32,33)/t19-,28+/m0/s1;
    VYXFBZAJVWTJQP-HMILPKGGSA-N    		 C[C]1(CC(=O)Nc2sccn2)NCCc3cc(OC[CH]4CCCC
    O4)c(Oc5ccc(C(O)=O)c(F)c5)cc13; C[C@]1(c
    2cc(c(cc2CCN1)OC[C@@H]3CCCCO3)Oc4ccc(c(c
    4)F)C(=O)O)CC(=O)Nc5nccs5; N1CCc4c(C1(C)
    CC(Nc2nccs2)=O)cc(c(OCC3CCCCO3)c4)Oc5cc(
    c(cc5)C(O)=O)F; C[C@]1(CC(=O)Nc2sccn2)NC
    Cc3cc(OC[C@@H]4CCCCO4)c(Oc5ccc(C(O)=O)c(
    F)c5)cc13; CC1(c2cc(c(cc2CCN1)OCC3CCCCO3
    )Oc4ccc(c(c4)F)C(=O)O)CC(=O)Nc5nccs5    		 2-fluoro-4-{[(1R)-1-methyl-6-{[(2S)-oxan-2-yl]methoxy}-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    32778
    PVK
    CHEMBL4077177    		 1 C9 H11 N3 O5 InChI=1S/C9H11N3O5/c10-5(
    8(14)15)1-12-6-3-17-2-4(6
    )7(13)11-9(12)16/h5H,1-3,
    10H2,(H,14,15)(H,11,13,16
    )/t5-/m0/s1;
    IFUIGRBRINDTIJ-YFKPBYRVSA-N    		 C1C2=C(CO1)N(C(=O)NC2=O)CC(C(=O)O)N; N[C
    @@H](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O; C1C
    2=C(CO1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N; N
    [CH](CN1C(=O)NC(=O)C2=C1COC2)C(O)=O    		 (S)-1-(2'-Amino-2'-carboxyethyl)-5,7-dihydrofuro[3,4-d]-pyrimidine-2,4(1H,3H)-dione;
    (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)furo[3,4-d]pyrimidin-1-yl]propanoic acid
    32779
    PVL    		 0 C3 H4 O2 InChI=1/C3H4O2/c1-3(5)2-4
    /h2H,1H3;
    AIJULSRZWUXGPQ-UHFFFAOYAZ    		 CC(=O)C=O; O=CC(=O)C PYRUVOYL GROUP
    32780
    PVM    		 1 C38 H35 F N8 O7 S InChI=1S/C38H35FN8O7S/c1-
    22-16-30(44-47(35(22)49)2
    4-4-6-25(52-3)7-5-24)31-2
    1-46(45-43-31)13-14-53-32
    -17-23-10-11-41-38(2,20-3
    4(48)42-37-40-12-15-55-37
    )28(23)19-33(32)54-26-8-9
    -27(36(50)51)29(39)18-26/
    h4-9,12,15-19,21,41H,10-1
    1,13-14,20H2,1-3H3,(H,50,
    51)(H,40,42,48)/t38-/m1/s
    1;
    CKGQJOFAVYEVFG-KXQOOQHDSA-N    		 CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CC
    Oc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)[C@@](NC
    C5)(C)CC(=O)Nc7nccs7; COc1ccc(cc1)N2N=C(
    C=C(C)C2=O)c3cn(CCOc4cc5CCN[C](C)(CC(=O)
    Nc6sccn6)c5cc4Oc7ccc(C(O)=O)c(F)c7)nn3;
    CC1=CC(=NN(C1=O)c2ccc(cc2)OC)c3cn(nn3)CC
    Oc4cc5c(cc4Oc6ccc(c(c6)F)C(=O)O)C(NCC5)(
    C)CC(=O)Nc7nccs7; COc1ccc(cc1)N2N=C(C=C(
    C)C2=O)c3cn(CCOc4cc5CCN[C@](C)(CC(=O)Nc6
    sccn6)c5cc4Oc7ccc(C(O)=O)c(F)c7)nn3; N7C
    (C)(CC(Nc1nccs1)=O)c6cc(Oc2cc(c(cc2)C(=O
    )O)F)c(OCCn5cc(C3=NN(C(C(=C3)C)=O)c4ccc(
    cc4)OC)nn5)cc6CC7    		 2-fluoro-4-{[(1R)-6-(2-{4-[1-(4-methoxyphenyl)-5-methyl-6-oxo-1,6-dihydropyridazin-3-yl]-1H-1,2,3-triazol-1-yl}ethoxy)-1-methyl-1-{2-oxo-2-[(1,3-thiazol-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}benzoic acid
    32781
    PVN    		 41 C33 H40 N4 O6 InChI=1S/C33H40N4O7/c1-7-
    20-15(2)25(36-33(20)44)12
    -23-16(3)21(8-10-29(39)40
    )26(34-23)14-27-22(9-11-3
    0(41)42)17(4)24(35-27)13-
    28-31(19(6)38)18(5)32(43)
    37-28/h12,14,19,28,35,38H
    ,7-11,13H2,1-6H3,(H,36,44
    )(H,37,43)(H,39,40)(H,41,
    42)/b25-12+,26-14-/t19?,2
    8-/m1/s1;
    SYEAKBPGLNVPDH-HVONXEAXSA-N    		 CCC1=C(C)C(=O)N[CH]1Cc2[nH]c(C=C3N=C(C=C
    4NC(=O)C(=C4C)CC)C(=C3CCC(O)=O)C)c(CCC(O
    )=O)c2C; CCC1=C(C(=O)NC1Cc2c(c(c([nH]2)C
    =C3C(=C(C(=N3)C=C4C(=C(C(=O)N4)CC)C)C)CC
    C(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N[C@@H]
    1Cc2c(c(c([nH]2)/C=C\3/C(=C(C(=N3)/C=C/4
    \C(=C(C(=O)N4)CC)C)C)CCC(=O)O)CCC(=O)O)C
    )C; CCC1=C(C)C(=O)N[C@@H]1Cc2[nH]c(\C=C\
    3N=C(\C=C/4NC(=O)C(=C/4C)CC)C(=C\3CCC(O)
    =O)C)c(CCC(O)=O)c2C    		 PHYCOVIOLOBILIN;
    Phycoviolobilin, bound form
    32782
    PVO    		 3 C3 H6 O4 InChI=1S/C3H6O4/c1-3(6,7)
    2(4)5/h6-7H,1H3,(H,4,5);
    HPQUMJNDQVOTAZ-UHFFFAOYSA-N    		 CC(O)(O)C(O)=O; CC(C(=O)O)(O)O 2,2-bis(oxidanyl)propanoic acid
    32783
    PVP
    CHEMBL460432
    ZINC000019924596    		 1 C16 H20 Cl N5 O InChI=1S/C16H20ClN5O/c1-1
    2-14(17)16(22-8-6-21(7-9-
    22)10-11-23)20-15(19-12)1
    3-4-2-3-5-18-13/h2-5,23H,
    6-11H2,1H3;
    NLGYGVCRRXIJRR-UHFFFAOYSA-N    		 Cc1nc(nc(N2CCN(CCO)CC2)c1Cl)c3ccccn3; Cc
    1c(c(nc(n1)c2ccccn2)N3CCN(CC3)CCO)Cl; Cl
    c2c(nc(nc2N1CCN(CCO)CC1)c3ncccc3)C    		 2-{4-[5-chloro-6-methyl-2-(pyridin-2-yl)pyrimidin-4-yl]piperazin-1-yl}ethanol
    32784
    PVQ
    CHEMBL4066795    		 1 C9 H12 N4 O4 InChI=1S/C9H12N4O4/c10-5(
    8(15)16)3-13-6-2-11-1-4(6
    )7(14)12-9(13)17/h5,11H,1
    -3,10H2,(H,15,16)(H,12,14
    ,17)/t5-/m0/s1;
    PGFCMMRTCMWFGC-YFKPBYRVSA-N    		 N[C@@H](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O;
    C1C2=C(CN1)N(C(=O)NC2=O)C[C@@H](C(=O)O)N
    ; C1C2=C(CN1)N(C(=O)NC2=O)CC(C(=O)O)N; N
    [CH](CN1C(=O)NC(=O)C2=C1CNC2)C(O)=O    		 (S)-1-[2'-Amino-2'-carboxyethyl]-5,7-dihydropyrrolo[3,4-d]pyrimidin-2,4(1H,3H)-dione;
    (2~{S})-2-azanyl-3-[2,4-bis(oxidanylidene)-6,7-dihydro-5~{H}-pyrrolo[3,4-d]pyrimidin-1-yl]propanoic acid
    32785
    PVR    		 1 C16 H22 N4 O2 InChI=1S/C16H22N4O2/c1-12
    (21)20-8-6-19(7-9-20)11-1
    6(22)18-15-10-17-5-4-14(1
    5)13-2-3-13/h4-5,10,13H,2
    -3,6-9,11H2,1H3,(H,18,22);
    QSGGZCHNCXCCMN-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)CC(=O)Nc2cnccc2C3CC3; O=
    C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C1CC1    		 2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide
    32786
    PVS
    CHEMBL165058
    ZINC000000391881    		 1 C8 H8 O2 S InChI=1S/C8H8O2S/c1-2-11(
    9,10)8-6-4-3-5-7-8/h2-7H,
    1H2;
    UJTPZISIAWDGFF-UHFFFAOYSA-N    		 C=CS(=O)(=O)c1ccccc1; C=C[S](=O)(=O)c1cc
    ccc1; sulfone    		 (ethenylsulfonyl)benzene;
    Phenyl Vinyl Sulphone
    32787
    PVT    		 4 C19 H15 F3 N6 O InChI=1S/C19H15F3N6O/c20-
    19(21,22)14-10-25-18(28-1
    7(14)24-9-11-2-1-5-23-8-1
    1)26-13-3-4-15-12(6-13)7-
    16(29)27-15/h1-6,8,10H,7,
    9H2,(H,27,29)(H2,24,25,26
    ,28);
    HOEAQQRLTIBABU-UHFFFAOYSA-N    		 FC(F)(F)c1cnc(Nc2ccc3NC(=O)Cc3c2)nc1NCc4
    cccnc4; c1cc(cnc1)CNc2c(cnc(n2)Nc3ccc4c(
    c3)CC(=O)N4)C(F)(F)F    		 5-[[4-(pyridin-3-ylmethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-1,3-dihydroindol-2-one
    32788
    PVU
    ZINC000040732574    		 1 C20 H19 Cl N2 O InChI=1S/C20H19ClN2O/c21-
    19-8-3-5-16(11-19)15-24-2
    0-9-2-1-7-18(20)14-23-13-
    17-6-4-10-22-12-17/h1-12,
    23H,13-15H2;
    VMYKVGAJFNTRAQ-UHFFFAOYSA-N    		 Clc1cccc(COc2ccccc2CNCc3cccnc3)c1; c1ccc
    (c(c1)CNCc2cccnc2)OCc3cccc(c3)Cl; Clc1cc
    cc(c1)COc1ccccc1CNCc1cccnc1    		 1-{2-[(3-chlorophenyl)methoxy]phenyl}-N-[(pyridin-3-yl)methyl]methanamine
    32789
    PVV    		 1 C17 H21 N3 O3 S InChI=1S/C17H21N3O3S/c1-1
    7(10-15(21)20-16-18-6-7-2
    4-16)12-9-14(23-3)13(22-2
    )8-11(12)4-5-19-17/h6-9,1
    9H,4-5,10H2,1-3H3,(H,18,2
    0,21)/t17-/m1/s1;
    GGTAOAOMAPVDLB-QGZVFWFLSA-N    		 COc1cc2CCN[C@](C)(CC(=O)Nc3sccn3)c2cc1OC
    ; C[C@]1(c2cc(c(cc2CCN1)OC)OC)CC(=O)Nc3n
    ccs3; c32c(C(CC(Nc1nccs1)=O)(C)NCC2)cc(c
    (c3)OC)OC; CC1(c2cc(c(cc2CCN1)OC)OC)CC(=
    O)Nc3nccs3; COc1cc2CCN[C](C)(CC(=O)Nc3sc
    cn3)c2cc1OC    		 2-[(1R)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
    32790
    PVW
    ZINC000089469611    		 2 C8 H10 N4 O2 S InChI=1S/C8H10N4O2S/c1-14
    -3-2-12-6-5(9-4-10-6)7(13
    )11-8(12)15/h4H,2-3H2,1H3
    ,(H,9,10)(H,11,13,15);
    VXTADZREIUKIHH-UHFFFAOYSA-N    		 O=C2c1c(ncn1)N(C(=S)N2)CCOC; COCCN1C(=S)
    NC(=O)c2[nH]cnc12; COCCN1c2c([nH]cn2)C(=
    O)NC1=S    		 3-(2-METHOXYETHYL)-2-THIOXO-1,2,3,7-TETRAHYDRO-6H-PURIN-6-ONE
    32791
    PVX
    ZINC000098209326    		 0 C27 H26 N5 O15 P InChI=1S/C27H26N5O15P/c1-
    42-11-5-12-17(21-16(11)8-
    2-3-9(34)15(8)25(38)46-21
    )18-20(36)24(47-26(18)45-
    12)32(7-33)19-22(30-27(28
    )31-23(19)37)29-14-4-10(3
    5)13(44-14)6-43-48(39,40)
    41/h2-3,5,7,10,13-14,18,2
    0,24,26,35-36H,4,6H2,1H3,
    (H2,39,40,41)(H4,28,29,30
    ,31,37)/t10-,13+,14+,18+,
    20+,24+,26-/m0/s1;
    OKIQEPDWYKTICF-MHRKVAGWSA-N    		 COc1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)C5C(
    C(OC5O2)N(C=O)C6=C(N=C(NC6=O)N)NC7CC(C(O
    7)COP(=O)(O)O)O)O; COc1cc2O[C@H]3O[C@H](
    [C@H](O)[C@H]3c2c4OC(=O)C5=C(C=CC5=O)c14
    )N(C=O)C6=C(N[C@H]7C[C@H](O)[C@@H](CO[P]
    (O)(O)=O)O7)N=C(N)NC6=O; COc1cc2O[CH]3O[
    CH]([CH](O)[CH]3c2c4OC(=O)C5=C(C=CC5=O)c
    14)N(C=O)C6=C(N[CH]7C[CH](O)[CH](CO[P](O
    )(O)=O)O7)N=C(N)NC6=O; O=P(O)(O)OCC7OC(N
    C=1N=C(N)NC(=O)C=1N(C=O)C5OC6Oc4cc(OC)c3
    c(OC(=O)C=2C(=O)C=CC=23)c4C6C5O)CC7O; CO
    c1cc2c(c3c1C4=C(C(=O)C=C4)C(=O)O3)[C@@H]
    5[C@H]([C@@H](O[C@@H]5O2)N(C=O)C6=C(N=C(
    NC6=O)N)N[C@H]7C[C@@H]([C@H](O7)COP(=O)(
    O)O)O)O
    32792
    PVY    		 1 C35 H44 N3 O6 InChI=1S/C35H43N3O6/c1-6-
    7-8-9-17-42-19-20-43-18-1
    6-36-34(39)24-10-13-27(35
    (40)41)30(21-24)33-28-14-
    11-25(37(2)3)22-31(28)44-
    32-23-26(38(4)5)12-15-29(
    32)33/h10-15,21-23H,6-9,1
    6-20H2,1-5H3,(H-,36,39,40
    ,41)/p+1;
    HKVFTIWQXRNXNR-UHFFFAOYSA-O    		 CCCCCCOCCOCCNC(c1cc(c(cc1)C(O)=O)C3=C2C(
    =CC(/C=C2)=[N+](\C)C)Oc4cc(ccc34)N(C)C)=
    O; CCCCCCOCCOCCNC(=O)c1ccc(c(c1)C2=C3C=C
    C(=[N+](C)C)C=C3Oc4c2ccc(c4)N(C)C)C(=O)O
    ; CCCCCCOCCOCCNC(=O)c1ccc(C(O)=O)c(c1)C2
    =C3C=CC(C=C3Oc4cc(ccc24)N(C)C)=[N+](C)C    		 9-[2-carboxy-5-({2-[2-(hexyloxy)ethoxy]ethyl}carbamoyl)phenyl]-6-(dimethylamino)-N,N-dimethyl-3H-xanthen-3-iminium
    32793
    PVZ
    ZINC000095591505    		 4 C14 H29 N2 O7 P2 InChI=1S/C14H28N2O7P2/c1-
    2-3-4-5-6-7-8-9-15-10-11-
    16(13-15)12-14(17,24(18,1
    9)20)25(21,22)23/h10-11,1
    3,17H,2-9,12H2,1H3,(H3-,1
    8,19,20,21,22,23)/p+1;
    ANVJZSKZYXLDSP-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)C[n+]1ccn(c1)CCC
    CCCCCC; CCCCCCCCCn1cc[n+](CC(O)([P](O)(O
    )=O)[P](O)(O)=O)c1; CCCCCCCCCn1cc[n+](c1
    )CC(O)(P(=O)(O)O)P(=O)(O)O    		 [1-hydroxy-2-(1-nonyl-1H-3lambda~5~-imidazol-3-yl)ethane-1,1-diyl]bis(phosphonic acid)
    32794
    PW0    		 3 C13 H17 N2 O9 P InChI=1S/C13H17N2O9P/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/h4,18H,2-3
    ,5-6H2,1H3,(H,16,17)(H,19
    ,20)(H2,21,22,23);
    AQYBBWUPMNWMHD-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CN=C(CCC(O)=O)C(O
    )=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CN=C(C
    CC(=O)O)C(=O)O)O    		 (~{Z})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]pent-2-enedioic acid
    32795
    PW1    		 2 C13 H12 F2 N O InChI=1S/C13H11F2NO/c14-1
    1-7-6-9(8-16)12(15)13(11)
    17-10-4-2-1-3-5-10/h1-7H,
    8,16H2/p+1;
    OPHNCLQYKIKHON-UHFFFAOYSA-O    		 c1ccc(cc1)Oc2c(ccc(c2F)C[NH3+])F; Fc2c(c
    cc(F)c2Oc1ccccc1)C[NH3+]; [NH3+]Cc1ccc(F
    )c(Oc2ccccc2)c1F    		 [2,4-bis(fluoranyl)-3-phenoxy-phenyl]methylazanium
    32796
    PW2    		 9 C19 H16 N2 O5 InChI=1S/C19H16N2O5/c1-26
    -15-5-4-11-6-12(2-3-13(11
    )7-15)14-8-16(22)18(20-9-
    14)19(25)21-10-17(23)24/h
    2-9,22H,10H2,1H3,(H,21,25
    )(H,23,24);
    PJNFXXUNCQIGBZ-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)c3cnc(c(O)c3)C(=O)NCC(
    O)=O; COc1ccc2cc(ccc2c1)c3cc(c(nc3)C(=O)
    NCC(=O)O)O    		 2-[[5-(6-methoxynaphthalen-2-yl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
    32797
    PW3
    ZINC000039278244    		 0 C6 H10 N2 O2 InChI=1S/C6H10N2O2/c1-5(9
    )8-3-2-7-6(10)4-8/h2-4H2,
    1H3,(H,7,10);
    ISNPMTVERREURB-UHFFFAOYSA-N    		 CC(=O)N1CCNC(=O)C1 4-acetyl-piperazin-2-one
    32798
    PW5    		 1 C11 H13 Br N2 O3 InChI=1S/C11H13BrN2O3/c1-
    6-5-8(13-7(2)11(6)12)14-9
    (15)3-4-10(16)17/h5H,3-4H
    2,1-2H3,(H,16,17)(H,13,14
    ,15);
    AYWBCWUDJKSIMU-UHFFFAOYSA-N    		 Cc1cc(nc(c1Br)C)NC(=O)CCC(=O)O; Cc1cc(NC
    (=O)CCC(O)=O)nc(C)c1Br    		 4-[(5-bromanyl-4,6-dimethyl-pyridin-2-yl)amino]-4-oxidanylidene-butanoic acid
    32799
    PW6    		 1 C27 H30 O3 InChI=1S/C27H30O3/c1-25(2
    6(2)28)23-21-19-17-15-13-
    11-9-7-5-3-4-6-8-10-12-14
    -16-18-20-22-24-27(29)30/
    h3-19,21-24H,20H2,1-2H3,(
    H,29,30)/b5-3+,6-4+,9-7-,
    10-8+,13-11+,14-12-,17-15
    -,18-16+,21-19+,24-22+,25
    -23+;
    ZUWHINCAQDXMJU-JXLQPSFDSA-N    		 CC(=O)C(/C)=C/C=C/C=C\C=C\C=C/C=C/C=C/C=
    C/C=C\C=C\C/C=C/C(O)=O; CC(=CC=CC=CC=CC=
    CC=CC=CC=CC=CC=CCC=CC(=O)O)C(=O)C; CC(=O
    )C(C)=CC=CC=CC=CC=CC=CC=CC=CC=CC=CCC=CC(
    O)=O; C/C(=C\C=C\C=C/C=C/C=C\C=C\C=C\C=C
    \C=C/C=C/CC=CC(=O)O)/C(=O)C    		 (2E,5E,7Z,9E,11E,13E,15Z,17E,19Z,21E,23E)-24-methyl-25-oxohexacosa-2,5,7,9,11,13,15,17,19,21,23-undecaenoic acid;
    Dehydro laetiporic acid
    32800
    PW7
    ZINC000001023366    		 4 C5 H4 F3 N3 InChI=1S/C5H4F3N3/c6-5(7,
    8)3-1-2-10-4(9)11-3/h1-2H
    ,(H2,9,10,11);
    NKOTXYPTXKUCDL-UHFFFAOYSA-N    		 Nc1nc(ccn1)C(F)(F)F; c1cnc(nc1C(F)(F)F)N
    ; Nc1nccc(n1)C(F)(F)F    		 4-(trifluoromethyl)pyrimidin-2-amine
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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