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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    32801 P7Q 2 C20 H16 O6 InChI=1S/C20H16O6/c1-20(2
    5)7-9-6-11(21)16-17(14(9)
    12(22)8-20)18(23)10-4-3-5
    -13(26-2)15(10)19(16)24/h
    3-6,21,25H,7-8H2,1-2H3/t2
    0-/m1/s1;
    LQIPGPPZCXJWKY-HXUWFJFHSA-N    		 COc1cccc2C(=O)c3c4C(=O)C[C](C)(O)Cc4cc(O
    )c3C(=O)c12; CC1(Cc2cc(c3c(c2C(=O)C1)C(=
    O)c4cccc(c4C3=O)OC)O)O; C[C@]1(Cc2cc(c3c
    (c2C(=O)C1)C(=O)c4cccc(c4C3=O)OC)O)O; CO
    c1cccc2C(=O)c3c4C(=O)C[C@](C)(O)Cc4cc(O)
    c3C(=O)c12    		 (3~{R})-8-methoxy-3-methyl-3,6-bis(oxidanyl)-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
    32802 P7R 3 C17 H15 Cl N4 O3 InChI=1S/C17H15ClN4O3/c1-
    22-15-12(7-19-8-13(15)21-
    17(22)24)20-16(23)10-4-5-
    25-14-3-2-9(18)6-11(10)14
    /h2-3,6-8,10H,4-5H2,1H3,(
    H,20,23)(H,21,24)/t10-/m1
    /s1;
    YNHUBGVMTXFOMC-SNVBAGLBSA-N    		 CN1C(=O)Nc2cncc(NC(=O)[CH]3CCOc4ccc(Cl)c
    c34)c12; CN1c2c(cncc2NC(=O)C3CCOc4c3cc(c
    c4)Cl)NC1=O; CN1C(=O)Nc2cncc(NC(=O)[C@@H
    ]3CCOc4ccc(Cl)cc34)c12; CN1c2c(NC1=O)cnc
    c2NC(=O)C1CCOc2ccc(Cl)cc21; CN1c2c(cncc2
    NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)NC1=O    		 (4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32803 P7S
    CHEMBL4802237    		 2 C22 H29 Cl N4 O6 InChI=1S/C22H29ClN4O6/c1-
    22(2,3)18(26-19(31)12-6-7
    -15(24)14(23)9-12)21(33)2
    7-8-4-5-16(27)20(32)25-13
    (11-28)10-17(29)30/h6-7,9
    ,11,13,16,18H,4-5,8,10,24
    H2,1-3H3,(H,25,32)(H,26,3
    1)(H,29,30)/t13-,16-,18+/
    m0/s1;
    SOZONDBMOYWSRW-QANKJYHBSA-N    		 CC(C)(C)[CH](NC(=O)c1ccc(N)c(Cl)c1)C(=O)
    N2CCC[CH]2C(=O)N[CH](CC(O)=O)C=O; CC(C)(
    C)C(C(=O)N1CCCC1C(=O)NC(CC(=O)O)C=O)NC(=
    O)c2ccc(c(c2)Cl)N; CC(C)(C)[C@H](NC(=O)c
    1ccc(N)c(Cl)c1)C(=O)N2CCC[C@H]2C(=O)N[C@
    @H](CC(O)=O)C=O; CC(C)(C)[C@@H](C(=O)N1C
    CC[C@H]1C(=O)N[C@@H](CC(=O)O)C=O)NC(=O)c
    2ccc(c(c2)Cl)N; C2CN(C(C(C(C)(C)C)NC(c1c
    cc(c(c1)Cl)N)=O)=O)C(C(NC(CC(=O)O)C=O)=O
    )C2    		 N-(4-amino-3-chlorobenzene-1-carbonyl)-3-methyl-L-valyl-N-[(2S)-1-carboxy-3-oxopropan-2-yl]-L-prolinamide
    32804 P7T 1 C13 H17 N O4 S InChI=1S/C13H17NO4S/c1-10
    -7-14(8-11(2)18-10)19(16,
    17)13-5-3-12(9-15)4-6-13/
    h3-6,9-11H,7-8H2,1-2H3/t1
    0-,11+;
    GZGHFFPTXVUCPP-PHIMTYICSA-N    		 C[CH]1CN(C[CH](C)O1)[S](=O)(=O)c2ccc(C=O
    )cc2; C[C@@H]1CN(C[C@@H](O1)C)S(=O)(=O)c
    2ccc(cc2)C=O; CC1CN(CC(O1)C)S(=O)(=O)c2c
    cc(cc2)C=O; C[C@H]1CN(C[C@@H](C)O1)[S](=
    O)(=O)c2ccc(C=O)cc2    		 4-[(2~{R},6~{S})-2,6-dimethylmorpholin-4-yl]sulfonylbenzaldehyde
    32805 P7U 2 C35 H37 Cl F N7 O5 InChI=1S/C35H37ClFN7O5/c1
    -21(45)35(47,48)32(46)44-
    17-16-42(19-23(44)10-13-3
    8)31-25-18-39-29(24-8-2-6
    -22-7-3-9-26(36)27(22)24)
    28(37)30(25)40-33(41-31)4
    9-20-34-11-4-14-43(34)15-
    5-12-34/h2-3,6-9,18,21,23
    ,45,47-48H,4-5,10-12,14-1
    7,19-20H2,1H3/t21-,23-/m0
    /s1;
    ODVFPOIDMRCQHU-GMAHTHKFSA-N    		 CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c
    (F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2
    CCC1; C[CH](O)C(O)(O)C(=O)N1CCN(C[CH]1CC
    #N)c2nc(OCC34CCCN3CCC4)nc5c(F)c(ncc25)c6
    cccc7cccc(Cl)c67; C[C@@H](C(C(=O)N1CCN(C
    [C@@H]1CC#N)c2c3cnc(c(c3nc(n2)OCC45CCCN4
    CCC5)F)c6cccc7c6c(ccc7)Cl)(O)O)O; C[C@H]
    (O)C(O)(O)C(=O)N1CCN(C[C@@H]1CC#N)c2nc(O
    CC34CCCN3CCC4)nc5c(F)c(ncc25)c6cccc7cccc
    (Cl)c67; CC(C(C(=O)N1CCN(CC1CC#N)c2c3cnc
    (c(c3nc(n2)OCC45CCCN4CCC5)F)c6cccc7c6c(c
    cc7)Cl)(O)O)O    		 {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile
    32806 P7V
    CHEMBL3770095
    ZINC000653701701    		 2 C10 H7 Br N2 O3 InChI=1S/C10H7BrN2O3/c11-
    7-3-1-6(2-4-7)10-12-8(5-1
    6-10)9(14)13-15/h1-5,15H,
    (H,13,14);
    KHPRTOQUGAUDCM-UHFFFAOYSA-N    		 ONC(=O)c1coc(n1)c2ccc(Br)cc2; C(c2coc(c1
    ccc(Br)cc1)n2)(NO)=O; c1cc(ccc1c2nc(co2)
    C(=O)NO)Br    		 2-(4-bromophenyl)-N-hydroxy-1,3-oxazole-4-carboxamide
    32807 P7W
    ZINC000001690029    		 2 C8 H12 O6 InChI=1S/C8H12O6/c9-6(10)
    3-1-5(8(13)14)2-4-7(11)12
    /h5H,1-4H2,(H,9,10)(H,11,
    12)(H,13,14);
    ROTJZTYLACIJIG-UHFFFAOYSA-N    		 C(CC(=O)O)C(CCC(=O)O)C(=O)O; OC(=O)CCC(C
    CC(O)=O)C(O)=O    		 pentane-1,3,5-tricarboxylic acid
    32808 P7Y
    CHEMBL231045
    ZINC000001688684    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-4-
    2-1-3-7(8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    PMDYAIGGZBRBFX-AATRIKPKSA-N    		 Oc1ccccc1C=C[N+]([O-])=O; Oc1ccccc1\C=C\
    [N+]([O-])=O; [O-][N+](=O)/C=C/c1ccccc1O
    ; c1ccc(c(c1)/C=C/[N+](=O)[O-])O; c1ccc(
    c(c1)C=C[N+](=O)[O-])O    		 2-[(E)-2-nitroethenyl]phenol;
    (E)-1-(2'-hydroxyphenyl)-2-nitroethene
    32809 P7Z 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-8(4-2
    -6-26(20,23)24)9(7)11(7)1
    2(7)10(7,8)14(8)13(8,9)15
    (9,11)17(11,12)16(10,12,1
    4)18(13,14,15)17/h1-6H2,(
    H2,19,21,22)(H2,20,23,24);
    MVCYXZQFBQXOJM-UHFFFAOYSA-N    		 B1234B567B189B212B33%10B454B656B787B911C
    232(B4%105C7612CCCS(=O)(=O)N)CCCS(=O)(=O
    )N; N[S](=O)(=O)CCC[C]1234[B]567[B]89%10
    [B]%11%12%13[B]58%14[B]%11%15%16[B]%12%1
    7%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%
    18(CCC[S](N)(=O)=O)[B]47%14%16    		 Ortho-Carborane di-propyl-sulfonamide
    32810 P80
    CHEMBL1615164
    ZINC000002244055    		 2 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-2-7(6-8)4-5-9(11)12/h1-
    6,10H/b5-4+;
    DHTXBJQMDPODIB-SNAWJCMRSA-N    		 Oc1cccc(C=C[N+]([O-])=O)c1; c1cc(cc(c1)O
    )C=C[N+](=O)[O-]; [O-][N+](=O)/C=C/c1cc(
    O)ccc1; c1cc(cc(c1)O)/C=C/[N+](=O)[O-];
    Oc1cccc(/C=C/[N+]([O-])=O)c1    		 3-[(E)-2-nitroethenyl]phenol;
    (E)-1-(3'-hydroxyphenyl)-2-nitroethene
    32811 P81
    CHEMBL307481
    ZINC000000039663    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c10-8-3-
    1-7(2-4-8)5-6-9(11)12/h1-
    6,10H/b6-5+;
    CTJKRKMPTRJAIT-AATRIKPKSA-N    		 c1cc(ccc1/C=C/[N+](=O)[O-])O; Oc1ccc(cc1
    )C=C[N+]([O-])=O; Oc1ccc(cc1)/C=C/[N+]([
    O-])=O; [O-][N+](=O)/C=C/c1ccc(O)cc1; c1
    cc(ccc1C=C[N+](=O)[O-])O    		 4-[(E)-2-nitroethenyl]phenol;
    (E)-1-(4'-hydroxyphenyl)-2-nitroethene
    32812 P82 1 C8 H16 B10 N2 O4 S2 InChI=1S/C8H16B10N2O4S2/c
    19-25(21,22)5-1-3-7-9-10(
    7)12(7)13(7)11(7,9)15(9)8
    (4-2-6-26(20,23)24)14(9,1
    0,15)16(8,10,12)18(8,12,1
    3)17(8,11,13)15/h1-6H2,(H
    2,19,21,22)(H2,20,23,24);
    HXGDSZGPWSRELQ-UHFFFAOYSA-N    		 B1234B567B189B212B88%10C955(B669B733C411
    (B363B218B9%1035)CCCS(=O)(=O)N)CCCS(=O)(
    =O)N; N[S](=O)(=O)CCC[C]1234[B]567[B]189
    [B]2%10%11[B]3%12%13[B]45%14[B]6%15%16[B
    ]78%17[B]9%10%18[B]%11%12%19[B]%13%14%15
    [C]%16%17%18%19CCC[S](N)(=O)=O    		 Para-Carborane di-propyl-sulfonamide
    32813 P83
    CHEMBL1235116
    DB08363
    ZINC000003888893    		 1 C16 H18 N2 InChI=1S/C16H18N2/c1-3-18
    -15-7-5-4-6-13(15)14-10-1
    2(11-17-2)8-9-16(14)18/h4
    -10,17H,3,11H2,1-2H3;
    LBPNOEAFWYTTEB-UHFFFAOYSA-N    		 c1cccc3c1c2c(ccc(c2)CNC)n3CC; CCn1c2cccc
    c2c3cc(CNC)ccc13; CCn1c2ccccc2c3c1ccc(c3
    )CNC    		 1-(9-ethyl-9H-carbazol-3-yl)-N-methylmethanamine
    32814 P84
    CHEMBL5183726
    ZINC000016662865    		 2 C14 H20 I2 N2 O InChI=1S/C14H20I2N2O/c1-1
    7-5-3-12(4-6-17)18(2)9-10
    -7-11(15)8-13(16)14(10)19
    /h7-8,12,19H,3-6,9H2,1-2H
    3;
    IAJFTEUXEMKNJL-UHFFFAOYSA-N    		 CN1CCC(CC1)N(C)Cc2cc(cc(c2O)I)I; Ic1cc(c
    (O)c(I)c1)CN(C)C2CCN(C)CC2; CN1CCC(CC1)N
    (C)Cc2cc(I)cc(I)c2O    		 2,4-BIS(IODANYL)-6-[[METHYL-(1-METHYLPIPERIDIN-4-YL)AMINO]METHYL]PHENOL
    32815 P85
    CHEMBL3233814    		 4 C25 H27 F N2 O InChI=1S/C25H27FN2O/c1-18
    (23-8-4-6-20-5-2-3-7-24(2
    0)23)28-15-13-21(14-16-28
    )25(29)27-17-19-9-11-22(2
    6)12-10-19/h2-12,18,21H,1
    3-17H2,1H3,(H,27,29)/t18-
    /m1/s1;
    VTAUBQMDNJOEAK-GOSISDBHSA-N    		 CC(c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc4ccc
    (cc4)F; C[C@@H](N1CC[C@@H](CC1)C(=O)NCc2
    ccc(F)cc2)c3cccc4ccccc34; C[CH](N1CC[CH]
    (CC1)C(=O)NCc2ccc(F)cc2)c3cccc4ccccc34;
    C[C@H](c1cccc2c1cccc2)N3CCC(CC3)C(=O)NCc
    4ccc(cc4)F; Fc1ccc(cc1)CNC(=O)C4CCN(C(c3
    c2ccccc2ccc3)C)CC4    		 N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide
    32816 P86
    ZINC000098209295    		 2 C16 H24 I2 N2 O InChI=1S/C16H24I2N2O/c1-3
    -20(4-2)14-5-7-19(8-6-14)
    11-12-9-13(17)10-15(18)16
    (12)21/h9-10,14,21H,3-8,1
    1H2,1-2H3;
    YZPXNEXVQURJCE-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(I)cc(I)c2O; Ic1cc
    (c(O)c(I)c1)CN2CCC(N(CC)CC)CC2; CCN(CC)C
    1CCN(CC1)Cc2cc(cc(c2O)I)I    		 2-{[4-(DIETHYLAMINO)PIPERIDIN-1-YL]METHYL}-4,6-DIIODOPHENOL
    32817 P87 2 C11 H19 N O2 InChI=1S/C11H19NO2/c13-11
    (12-6-1-2-7-12)4-3-10-5-8
    -14-9-10/h10H,1-9H2/t10-/
    m0/s1;
    QMNDAUGCAGNHLO-JTQLQIEISA-N    		 C1CCN(C1)C(=O)CC[C@H]2CCOC2; O=C(CC[CH]1
    CCOC1)N2CCCC2; O=C(N1CCCC1)CCC2CCOC2; O=
    C(CC[C@H]1CCOC1)N2CCCC2; C1CCN(C1)C(=O)C
    CC2CCOC2    		 3-[(3S)-oxolan-3-yl]-1-(pyrrolidin-1-yl)propan-1-one
    32818 P88
    ZINC000095921157    		 1 C31 H28 N2 O4 InChI=1S/C31H28N2O4/c1-18
    (2)30-26(29(33-37-30)28-1
    9(3)6-5-7-20(28)4)17-36-2
    5-12-10-21(11-13-25)22-8-
    9-23-15-27(31(34)35)32-16
    -24(23)14-22/h5-16,18H,17
    H2,1-4H3,(H,34,35);
    DWPOYLMUSLXOEM-UHFFFAOYSA-N    		 CC(C)c1onc(c1COc2ccc(cc2)c3ccc4cc(ncc4c3
    )C(O)=O)c5c(C)cccc5C; Cc1cccc(c1c2c(c(on
    2)C(C)C)COc3ccc(cc3)c4ccc5cc(ncc5c4)C(=O
    )O)C; O=C(O)c2ncc1cc(ccc1c2)c5ccc(OCc4c(
    onc4c3c(cccc3C)C)C(C)C)cc5    		 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid
    32819 P89 4 C19 H31 N2 O6 P InChI=1S/C19H31N2O6P/c1-3
    -4-5-6-7-8-9-10-17(22)12-
    20-13-18-16(14-27-28(24,2
    5)26)11-21-15(2)19(18)23/
    h11,13,23H,3-10,12,14H2,1
    -2H3,(H2,24,25,26)/b20-13
    +;
    NFGPSQDCIMWBHR-DEDYPNTBSA-N    		 CCCCCCCCCC(=O)CN=Cc1c(cnc(c1O)C)COP(=O)(
    O)O; CCCCCCCCCC(=O)C/N=C/c1c(cnc(c1O)C)C
    OP(=O)(O)O; CCCCCCCCCC(=O)CN=Cc1c(O)c(C)
    ncc1CO[P](O)(O)=O    		 [6-methyl-5-oxidanyl-4-[(~{E})-2-oxidanylideneundecyliminomethyl]pyridin-3-yl]methyl dihydrogen phosphate
    32820 P8A
    CHEMBL428730
    ZINC000004386887    		 1 C8 H12 N2 O2 InChI=1S/C8H12N2O2/c1-2-3
    -4-6-5-7(8(11)12)10-9-6/h
    5H,2-4H2,1H3,(H,9,10)(H,1
    1,12);
    ZJTXSGLJNBAMJS-UHFFFAOYSA-N    		 CCCCc1cc(n[nH]1)C(=O)O; CCCCc1[nH]nc(c1)
    C(O)=O    		 5-butyl-1~{H}-pyrazole-3-carboxylic acid
    32821 P8B 2 C5 H8 B10 N O2 S InChI=1S/C5H8B10NO2S/c16-
    19(17,18)3-1-2-5-11-6-4-7
    (6,11)9(4)10(4)8(4,6)12(5
    ,6,11)14(5,8,10)15(5,9,10
    )13(5,7,9)11/h1-3H2,(H2,1
    6,17,18);
    HBQBYDZBZCGZJU-UHFFFAOYSA-N    		 B1234B567B189B212B33%10C454B656B433B%101
    1B353B768C9213CCCS(=O)(=O)N; N[S](=O)(=O
    )CCC[C]1234[B]567[B]89%10[B]5%11%12[B]%1
    3%14%15[B]%16%17%18[B]8%19([B]169[B]2%16
    %19[B]3%13%17[B]47%11%14)[C]%10%12%15%18    		 Para-Carborane propyl-sulfonamide
    32822 P8C 3 C24 H40 F2 N3 O8 S InChI=1S/C24H38F2N3O8S/c1
    -13(2)9-18(21(31)28-19(22
    (32)38(34,35)36)11-15-5-8
    -27-20(15)30)29-23(33)37-
    12-16-10-17(16)14-3-6-24(
    25,26)7-4-14/h13-19,22,32
    H,3-12H2,1-2H3,(H3-2,27,2
    8,29,30,31,33,34,35,36)/q
    -1/p+2/t15-,16+,17+,18-,1
    9-,22+/m0/s1;
    ACNPODIUBZVYHB-PGIRCJHISA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[C
    @@H]2C3CCC(CC3)(F)F; CC(C)C[CH](NC(=O)OC
    [CH]1C[CH]1C2CCC(F)(F)CC2)C(=O)N[CH](C[C
    H]3CCNC3=O)[CH](O)[S+](O)(O)=O; CC(C)CC(
    C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(O)O)NC(=
    O)OCC2CC2C3CCC(CC3)(F)F; CC(C)C[C@H](NC(
    =O)OC[C@H]1C[C@@H]1C2CCC(F)(F)CC2)C(=O)N
    [C@@H](C[C@@H]3CCNC3=O)[C@H](O)[S+](O)(O
    )=O    		 [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32823 P8D
    ZINC000025109138    		 1 C7 H14 N O6 P InChI=1S/C7H14NO6P/c1-4(8
    )15(13,14)3-5(7(11)12)2-6
    (9)10/h4-5H,2-3,8H2,1H3,(
    H,9,10)(H,11,12)(H,13,14)
    /t4-,5+/m1/s1;
    LWODXTSWCZWQHR-UHNVWZDZSA-N    		 C[C@H](N)[P](O)(=O)C[C@H](CC(O)=O)C(O)=O
    ; C[CH](N)[P](O)(=O)C[CH](CC(O)=O)C(O)=O
    ; O=P(O)(C(N)C)CC(C(=O)O)CC(=O)O; CC(N)P
    (=O)(CC(CC(=O)O)C(=O)O)O; C[C@H](N)[P@@]
    (=O)(C[C@H](CC(=O)O)C(=O)O)O    		 phosphinate pseudodipeptide L-Ala-D-Asp;
    (2R)-2-{[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]methyl}butanedioic acid
    32824 P8E 248 C9 H18 N2 O6 InChI=1S/C9H18N2O6/c1-3(1
    2)5(10)7-6(11)4(13)2-9(16
    ,17-7)8(14)15/h3-7,12-13,
    16H,2,10-11H2,1H3,(H,14,1
    5)/t3-,4-,5-,6-,7-,9-/m0/
    s1;
    ZFZFJUIKYIVPNP-YXGHPGITSA-N    		 CC(C(C1C(C(CC(O1)(C(=O)O)O)O)N)N)O; C[C@
    @H]([C@@H]([C@H]1[C@H]([C@H](C[C@](O1)(C
    (=O)O)O)O)N)N)O; CC(O)C(C1OC(CC(C1N)O)(O
    )C(O)=O)N; C[C@H](O)[C@H](N)[C@@H]1O[C@@
    ](O)(C[C@H](O)[C@@H]1N)C(O)=O; C[CH](O)[
    CH](N)[CH]1O[C](O)(C[CH](O)[CH]1N)C(O)=O    		 5,7-diamino-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
    32825 P8F
    CHEMBL1782463
    ZINC000068150110    		 0 C29 H30 F N3 O7 InChI=1S/C29H30FN3O7/c1-3
    2(2)22-18-8-15-7-14-6-13-
    4-3-12(9-33-10-16(30)11-3
    3)5-17(13)23(34)19(14)24(
    35)20(15)26(37)29(18,40)2
    7(38)21(25(22)36)28(31)39
    /h3-6,15-16,18,22,34,36-3
    7,40H,7-11H2,1-2H3,(H2,31
    ,39)/t15-,18-,22-,29-/m0/
    s1;
    DAUIQSOIFWOKJQ-MGVDVOGZSA-N    		 CN(C)C1C2CC3Cc4cc5ccc(cc5c(c4C(=O)C3=C(C
    2(C(=O)C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; C
    N(C)[C@H]1[C@@H]2C[C@@H]3Cc4cc5ccc(CN6CC
    (F)C6)cc5c(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)
    C(=C1O)C(N)=O; CN(C)[C@H]1[C@@H]2C[C@@H]
    3Cc4cc5ccc(cc5c(c4C(=O)C3=C([C@@]2(C(=O)
    C(=C1O)C(=O)N)O)O)O)CN6CC(C6)F; CN(C)[CH
    ]1[CH]2C[CH]3Cc4cc5ccc(CN6CC(F)C6)cc5c(O
    )c4C(=O)C3=C(O)[C]2(O)C(=O)C(=C1O)C(N)=O    		 Pentacycline;
    (4S,4aS,5aR,14aS)-4-(dimethylamino)-10-[(3-fluoranylazetidin-1-yl)methyl]-3,12,14,14a-tetrakis(oxidanyl)-1,13-bis(oxidanylidene)-4a,5,5a,6-tetrahydro-4H-pentacene-2-carboxamide;
    Pentacycline TP-038
    32826 P8G 1 C25 H40 N6 O16 InChI=1S/C25H40N6O16/c1-4
    2-25-20(41)22(16(37)13(6-
    34)47-25)44-8-10-3-31(29-
    27-10)24-19(40)21(15(36)1
    2(5-33)46-24)43-7-9-2-30(
    28-26-9)23-18(39)17(38)14
    (35)11(4-32)45-23/h2-3,11
    -25,32-41H,4-8H2,1H3/t11-
    ,12-,13-,14+,15+,16+,17+,
    18-,19-,20-,21+,22+,23-,2
    4-,25-/m1/s1;
    ZQXDLGAORGHMLS-LZGLEUEQSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](OCc4c
    n(nn4)[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[
    C@H]5O)[C@H]3O)[C@H]1O; COC1C(C(C(C(O1)C
    O)O)OCc2cn(nn2)C3C(C(C(C(O3)CO)O)OCc4cn(
    nn4)C5C(C(C(C(O5)CO)O)O)O)O)O; CO[C@H]1[
    C@@H]([C@H]([C@H]([C@H](O1)CO)O)OCc2cn(n
    n2)[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)
    O)OCc4cn(nn4)[C@H]5[C@@H]([C@H]([C@H]([C
    @H](O5)CO)O)O)O)O)O; CO[CH]1O[CH](CO)[CH
    ](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](O
    )[CH](OCc4cn(nn4)[CH]5O[CH](CO)[CH](O)[C
    H](O)[CH]5O)[CH]3O)[CH]1O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol
    32827 P8H
    CHEMBL1235119
    ZINC000048551259    		 2 C15 H20 Br N3 O InChI=1S/C15H20BrN3O/c16-
    13-9-12(10-17-11-13)15(20
    )19-7-3-14(4-8-19)18-5-1-
    2-6-18/h9-11,14H,1-8H2;
    CQERVFFAOOUFEQ-UHFFFAOYSA-N    		 c1c(cncc1Br)C(=O)N2CCC(CC2)N3CCCC3; Brc1
    cncc(c1)C(=O)N2CCC(CC2)N3CCCC3; Brc1cc(c
    nc1)C(=O)N3CCC(N2CCCC2)CC3    		 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine
    32828 P8J 1 C16 H27 N3 O11 InChI=1S/C16H27N3O11/c1-2
    7-16-13(26)14(10(23)8(4-2
    1)30-16)28-5-6-2-19(18-17
    -6)15-12(25)11(24)9(22)7(
    3-20)29-15/h2,7-16,20-26H
    ,3-5H2,1H3/t7-,8-,9+,10+,
    11+,12-,13-,14+,15-,16-/m
    1/s1;
    KDTWYQHAYRRJMY-JEECUGMMSA-N    		 CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cn(
    nn2)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@
    H]3O)[C@H]1O; COC1C(C(C(C(O1)CO)O)OCc2cn
    (nn2)C3C(C(C(C(O3)CO)O)O)O)O; c2c(COC1C(
    C(OC)OC(CO)C1O)O)nnn2C3C(C(C(C(CO)O3)O)O
    )O; CO[C@H]1[C@@H]([C@H]([C@H]([C@H](O1)
    CO)O)OCc2cn(nn2)[C@H]3[C@@H]([C@H]([C@H]
    ([C@H](O3)CO)O)O)O)O; CO[CH]1O[CH](CO)[C
    H](O)[CH](OCc2cn(nn2)[CH]3O[CH](CO)[CH](
    O)[CH](O)[CH]3O)[CH]1O    		 methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
    32829 P8K 8 C14 H31 O3 P InChI=1S/C14H31O3P/c1-3-5
    -7-9-10-11-13-17-18(15,16
    )14-12-8-6-4-2/h3-14H2,1-
    2H3,(H,15,16);
    ITXAFDXPCLYZIG-UHFFFAOYSA-N    		 CCCCCCCCO[P](O)(=O)CCCCCC; CCCCCCCCOP(=O
    )(CCCCCC)O    		 hexyl(octoxy)phosphinic acid
    32830 P8L 3 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23+/m
    0/s1;
    BNNIGFVXMNVYNU-HUWCRECTSA-P    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)[S+](=O)(
    O)O)NC(=O)OCC2CC2C3CCCCC3; CC(C)C[C@@H](
    C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](O)[S+
    ](=O)(O)O)NC(=O)OC[C@H]2C[C@@H]2C3CCCCC3
    ; CC(C)C[CH](NC(=O)OC[CH]1C[CH]1C2CCCCC2
    )C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)[S+](O)
    (O)=O; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]
    1C2CCCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[
    C@H](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32831 P8M
    CHEMBL4782843    		 6 C31 H28 F2 N4 O4 S2 InChI=1S/C31H28F2N4O4S2/c
    32-24-11-10-22(16-21(24)9
    -7-18-3-1-2-4-18)29-23(13
    -20-8-12-28(25(33)14-20)4
    3(34,40)41)27(15-19-5-6-1
    9)37(36-29)31-35-26(17-42
    -31)30(38)39/h8,10-12,14,
    16-19H,1-6,13,15H2,(H,38,
    39)(H2,34,40,41);
    KTCLNOGFWLXRFB-UHFFFAOYSA-N    		 c1cc(c(cc1Cc2c(n(nc2c3ccc(c(c3)C#CC4CCCC
    4)F)c5nc(cs5)C(=O)O)CC6CC6)F)S(=O)(=O)N;
    C(c2c(Cc1cc(c(S(N)(=O)=O)cc1)F)c(nn2c3s
    cc(n3)C(O)=O)c4ccc(c(c4)C#CC5CCCC5)F)C6C
    C6; N[S](=O)(=O)c1ccc(Cc2c(CC3CC3)n(nc2c
    4ccc(F)c(c4)C#CC5CCCC5)c6scc(n6)C(O)=O)c
    c1F    		 2-{3-[3-(cyclopentylethynyl)-4-fluorophenyl]-5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-1H-pyrazol-1-yl}-1,3-thiazole-4-carboxylic acid
    32832 P8N
    CHEMBL5179492    		 1 C29 H27 Cl N6 O3 S InChI=1S/C29H27ClN6O3S/c1
    -16-17(2)40-29-26(16)27(2
    1-9-11-22(30)12-10-21)32-
    23(28-34-33-18(3)36(28)29
    )14-25(38)31-15-20-6-4-19
    (5-7-20)8-13-24(37)35-39/
    h4-13,23,39H,14-15H2,1-3H
    3,(H,31,38)(H,35,37)/b13-
    8+/t23-/m0/s1;
    VXVJYUDHNXUFIO-NWMLYGLHSA-N    		 Cc1sc2n3c(C)nnc3[CH](CC(=O)NCc4ccc(C=CC(
    =O)NO)cc4)N=C(c5ccc(Cl)cc5)c2c1C; Cc1c(s
    c-2c1C(=NC(c3n2c(nn3)C)CC(=O)NCc4ccc(cc4
    )C=CC(=O)NO)c5ccc(cc5)Cl)C; Cc1c(sc-2c1C
    (=N[C@H](c3n2c(nn3)C)CC(=O)NCc4ccc(cc4)/
    C=C/C(=O)NO)c5ccc(cc5)Cl)C; Cc1sc2n3c(C)
    nnc3[C@H](CC(=O)NCc4ccc(/C=C/C(=O)NO)cc4
    )N=C(c5ccc(Cl)cc5)c2c1C    		 (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6 ),4,7,10,12-pentaen-9-yl]ethanoylamino]methyl]phenyl]-~{N}-oxidanyl-prop-2-enamide;
    TW22
    32833 P8O
    CHEMBL5276842    		 2 C24 H22 F3 N7 S InChI=1S/C24H22F3N7S/c25-
    24(26,27)19-16(6-3-9-29-1
    9)35-17-13-30-20-21(31-17
    )33-22(32-20)34-10-7-23(8
    -11-34)12-14-4-1-2-5-15(1
    4)18(23)28/h1-6,9,13,18H,
    7-8,10-12,28H2,(H,30,31,3
    2,33)/t18-/m1/s1;
    REEKVEYVOMDHAS-GOSISDBHSA-N    		 c1ccc2c(c1)CC3(C2N)CCN(CC3)c4[nH]c5c(n4)
    ncc(n5)Sc6cccnc6C(F)(F)F; N[C@@H]1c2cccc
    c2CC13CCN(CC3)c4[nH]c5nc(Sc6cccnc6C(F)(F
    )F)cnc5n4; c1ccc2c(c1)CC3([C@@H]2N)CCN(C
    C3)c4[nH]c5c(n4)ncc(n5)Sc6cccnc6C(F)(F)F
    ; N[CH]1c2ccccc2CC13CCN(CC3)c4[nH]c5nc(S
    c6cccnc6C(F)(F)F)cnc5n4    		 (1~{S})-1'-[5-[2-(trifluoromethyl)pyridin-3-yl]sulfanyl-3~{H}-imidazo[4,5-b]pyrazin-2-yl]spiro[1,3-dihydroindene-2,4'-piperidine]-1-amine
    32834 P8P
    CHEMBL191055    		 1 C19 H38 O11 P2 InChI=1S/C19H38O11P2/c1-3
    -5-7-9-11-13-18(20)27-15-
    17(16-28-32(25,26)30-31(2
    2,23)24)29-19(21)14-12-10
    -8-6-4-2/h17H,3-16H2,1-2H
    3,(H,25,26)(H2,22,23,24)/
    t17-/m1/s1;
    MBDSUZSCJLRKPC-QGZVFWFLSA-N    		 CCCCCCCC(=O)OCC(COP(=O)(O)OP(=O)(O)O)OC(
    =O)CCCCCCC; O=P(O)(O)OP(=O)(OCC(OC(=O)CC
    CCCCC)COC(=O)CCCCCCC)O; CCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C; CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OP(
    =O)(O)O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@
    H](CO[P](O)(=O)O[P](O)(O)=O)OC(=O)CCCCCC
    C    		 (2R)-3-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}propane-1,2-diyl dioctanoate;
    dioctanoylglycerol pyrophosphate
    32835 P8Q
    CHEMBL5187070    		 1 C33 H36 Cl N7 O4 S InChI=1S/C33H36ClN7O4S/c1
    -19-20(2)46-33-30(19)31(2
    2-10-12-23(34)13-11-22)37
    -26(32-39-38-21(3)41(32)3
    3)18-29(44)36-25-16-14-24
    (15-17-25)35-27(42)8-6-4-
    5-7-9-28(43)40-45/h10-17,
    26,45H,4-9,18H2,1-3H3,(H,
    35,42)(H,36,44)(H,40,43)/
    t26-/m0/s1;
    CKKMTTRRFWJCCL-SANMLTNESA-N    		 Cc1c(sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)N
    c4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc5)
    Cl)C; Cc1c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O
    )Nc4ccc(cc4)NC(=O)CCCCCCC(=O)NO)c5ccc(cc
    5)Cl)C; Cc1sc2n3c(C)nnc3[CH](CC(=O)Nc4cc
    c(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(Cl)c
    c5)c2c1C; Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc
    4ccc(NC(=O)CCCCCCC(=O)NO)cc4)N=C(c5ccc(C
    l)cc5)c2c1C    		 (S)-N1-(4-(2-(4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)acetamido)phenyl)-N8-hydroxyoctanediamide;
    TW12
    32836 P8R 0 C24 H50 O12 InChI=1S/C24H50O12/c1-25-
    3-5-27-7-9-29-11-13-31-15
    -17-33-19-21-35-23-24-36-
    22-20-34-18-16-32-14-12-3
    0-10-8-28-6-4-26-2/h3-24H
    2,1-2H3;
    WIQLMXVAXHHJSM-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC 1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
    32837 P8S
    CHEMBL1876554
    ZINC000038141428    		 4 C8 H F17 O3 S InChI=1S/C8HF17O3S/c9-1(1
    0,3(13,14)5(17,18)7(21,22
    )23)2(11,12)4(15,16)6(19,
    20)8(24,25)29(26,27)28/h(
    H,26,27,28);
    YFSUTJLHUFNCNZ-UHFFFAOYSA-N    		 O[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
    C(F)(F)C(F)(F)C(F)(F)C(F)(F)F; C(C(C(C(C
    (F)(F)S(=O)(=O)O)(F)F)(F)F)(F)F)(C(C(C(F
    )(F)F)(F)F)(F)F)(F)F; FC(F)(C(F)(F)S(=O)
    (=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F
    )C(F)(F)F    		 heptadecafluoro-1-octanesulfonic acid;
    perfluorooctane sulfonate
    32838 P8T
    CHEMBL5197137    		 1 C32 H28 Cl N7 O2 S InChI=1S/C32H28ClN7O2S/c1
    -17-18(2)43-32-28(17)29(2
    0-8-12-22(33)13-9-20)36-2
    6(30-39-38-19(3)40(30)32)
    16-27(41)35-23-14-10-21(1
    1-15-23)31(42)37-25-7-5-4
    -6-24(25)34/h4-15,26H,16,
    34H2,1-3H3,(H,35,41)(H,37
    ,42)/t26-/m0/s1;
    GGZYNJKDGRBRKG-SANMLTNESA-N    		 Cc1sc2n3c(C)nnc3[C@H](CC(=O)Nc4ccc(cc4)C
    (=O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; C
    c1sc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)C(=
    O)Nc5ccccc5N)N=C(c6ccc(Cl)cc6)c2c1C; Cc1
    c(sc-2c1C(=NC(c3n2c(nn3)C)CC(=O)Nc4ccc(c
    c4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C; Cc1c(
    sc-2c1C(=N[C@H](c3n2c(nn3)C)CC(=O)Nc4ccc
    (cc4)C(=O)Nc5ccccc5N)c6ccc(cc6)Cl)C    		 ~{N}-(2-aminophenyl)-4-[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]t rideca-2(6),4,7,10,12-pentaen-9-yl]ethanoylamino]benzamide;
    TW9
    32839 P8U 2 C24 H42 N3 O8 S InChI=1S/C24H40N3O8S/c1-1
    4(2)10-19(27-24(31)35-13-
    17-11-18(17)15-6-4-3-5-7-
    15)22(29)26-20(23(30)36(3
    2,33)34)12-16-8-9-25-21(1
    6)28/h14-20,23,30H,3-13H2
    ,1-2H3,(H3-2,25,26,27,28,
    29,31,32,33,34)/q-1/p+2/t
    16-,17+,18+,19-,20-,23-/m
    0/s1;
    BNNIGFVXMNVYNU-MWOXCZGJSA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[
    C@@H]2C3CCCCC3; CC(C)CC(C(=O)NC(CC1CCNC1
    =O)C(O)[S+](=O)(O)O)NC(=O)OCC2CC2C3CCCCC
    3; CC(C)C[C@H](NC(=O)OC[C@H]1C[C@@H]1C2C
    CCCC2)C(=O)N[C@@H](C[C@@H]3CCNC3=O)[C@@H
    ](O)[S+](O)(O)=O; CC(C)C[CH](NC(=O)OC[CH
    ]1C[CH]1C2CCCCC2)C(=O)N[CH](C[CH]3CCNC3=
    O)[CH](O)[S+](O)(O)=O    		 [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32840 P8V
    CHEMBL4753379    		 4 C31 H25 F N4 O4 S3 InChI=1S/C31H25FN4O4S3/c1
    -18-5-10-23(42-18)11-8-19
    -3-2-4-22(13-19)29-24(14-
    21-9-12-28(25(32)15-21)43
    (33,39)40)27(16-20-6-7-20
    )36(35-29)31-34-26(17-41-
    31)30(37)38/h2-5,9-10,12-
    13,15,17,20H,6-7,14,16H2,
    1H3,(H,37,38)(H2,33,39,40
    );
    LZIKVHXLVMNROK-UHFFFAOYSA-N    		 C(c1ccc(C)s1)#Cc2cccc(c2)c3nn(c(c3Cc4cc(
    c(S(N)(=O)=O)cc4)F)CC5CC5)c6nc(cs6)C(O)=
    O; Cc1ccc(s1)C#Cc2cccc(c2)c3c(c(n(n3)c4n
    c(cs4)C(=O)O)CC5CC5)Cc6ccc(c(c6)F)S(=O)(
    =O)N; Cc1sc(cc1)C#Cc2cccc(c2)c3nn(c4scc(
    n4)C(O)=O)c(CC5CC5)c3Cc6ccc(c(F)c6)[S](N
    )(=O)=O    		 2-[5-(cyclopropylmethyl)-4-[(3-fluoro-4-sulfamoylphenyl)methyl]-3-{3-[(5-methylthiophen-2-yl)ethynyl]phenyl}-1H-pyrazol-1-yl]-1,3-thiazole-4-carboxylic acid
    32841 P8W
    CHEMBL4633192    		 2 C19 H19 N3 O InChI=1S/C19H19N3O/c1-14-
    18(13-21-22(2)19(14)23)20
    -12-16-10-6-7-11-17(16)15
    -8-4-3-5-9-15/h3-11,13,20
    H,12H2,1-2H3;
    JLOICACPNWZYGI-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2c3ccccc3; CN
    1N=CC(=C(C)C1=O)NCc2ccccc2c3ccccc3    		 2,4-dimethyl-5-[(2-phenylphenyl)methylamino]pyridazin-3-one;
    Biphenyl-methylamino-dimethylpyridazinone
    32842 P8X
    ZINC000263620702    		 1 C44 H58 N4 O14 InChI=1S/C44H58N4O14/c1-2
    1-37-24(10-13-32(53)54)40
    (2,3)28(46-37)17-26-22(8-
    11-30(49)50)42(5,19-35(59
    )60)29(45-26)18-27-23(9-1
    2-31(51)52)43(6,20-36(61)
    62)44(7,48-27)39-25(16-34
    (57)58)41(4,38(21)47-39)1
    5-14-33(55)56/h17-18,21-2
    3,25,39,48H,8-16,19-20H2,
    1-7H3,(H,49,50)(H,51,52)(
    H,53,54)(H,55,56)(H,57,58
    )(H,59,60)(H,61,62)/b26-1
    7-,27-18-/t21-,22-,23-,25
    +,39-,41-,42+,43+,44+/m1/
    s1;
    LIJKCTVSMYEQAC-IBWMGOEXSA-N    		 CC1C2=C(C(C(=N2)C=C3C(C(C(=N3)C=C4C(C(C(
    N4)(C5C(C(C1=N5)(C)CCC(=O)O)CC(=O)O)C)(C
    )CC(=O)O)CCC(=O)O)(C)CC(=O)O)CCC(=O)O)(C
    )C)CCC(=O)O; C[C@@H]1C2=C(CCC(O)=O)C(C)(
    C)C(=N2)/C=C/3N=C(/C=C/4N[C@@](C)([C@@H]
    5N=C1[C@](C)(CCC(O)=O)[C@H]5CC(O)=O)[C@@
    ](C)(CC(O)=O)[C@@H]/4CCC(O)=O)[C@@](C)(C
    C(O)=O)[C@@H]/3CCC(O)=O; C[CH]1C2=C(CCC(
    O)=O)C(C)(C)C(=N2)C=C3N=C(C=C4N[C](C)([C
    H]5N=C1[C](C)(CCC(O)=O)[CH]5CC(O)=O)[C](
    C)(CC(O)=O)[CH]4CCC(O)=O)[C](C)(CC(O)=O)
    [CH]3CCC(O)=O; C[C@@H]1C2=C(C(C(=N2)/C=C
    \3/[C@H]([C@](C(=N3)/C=C\4/[C@H]([C@]([C
    @@](N4)([C@H]5[C@@H]([C@@](C1=N5)(C)CCC(
    =O)O)CC(=O)O)C)(C)CC(=O)O)CCC(=O)O)(C)CC
    (=O)O)CCC(=O)O)(C)C)CCC(=O)O    		 DESMETHYL-HBA
    32843 P8Y 2 C12 H25 N O5 S InChI=1S/C12H25NO5S/c1-8(
    2)4-3-5-19(17,18)7-9-11(1
    5)12(16)10(14)6-13-9/h8-1
    6H,3-7H2,1-2H3/t9-,10-,11
    +,12+/m1/s1;
    MIGRFAIIVQTLPR-WYUUTHIRSA-N    		 CC(C)CCCS(=O)(=O)C[C@@H]1[C@@H]([C@H]([C
    @@H](CN1)O)O)O; C(CS(CC1NCC(C(C1O)O)O)(=
    O)=O)CC(C)C; CC(C)CCC[S](=O)(=O)C[CH]1NC
    [CH](O)[CH](O)[CH]1O; CC(C)CCC[S](=O)(=O
    )C[C@H]1NC[C@@H](O)[C@H](O)[C@H]1O; CC(C
    )CCCS(=O)(=O)CC1C(C(C(CN1)O)O)O    		 (2S,3S,4S,5R)-2-{[(4-methylpentyl)sulfonyl]methyl}piperidine-3,4,5-triol
    32844 P8Z
    CHEMBL4648548    		 1 C18 H25 N5 O InChI=1S/C18H25N5O/c1-14-
    16(13-20-22(3)18(14)24)19
    -12-15-6-4-5-7-17(15)23-1
    0-8-21(2)9-11-23/h4-7,13,
    19H,8-12H2,1-3H3;
    HONYBLSJNSYWKQ-UHFFFAOYSA-N    		 CC1=C(C=NN(C1=O)C)NCc2ccccc2N3CCN(CC3)C;
    CN1CCN(CC1)c2ccccc2CNC3=C(C)C(=O)N(C)N=
    C3    		 2,4-dimethyl-5-[[2-(4-methylpiperazin-1-yl)phenyl]methylamino]pyridazin-3-one;
    dimethyl-methylpiperazinyl-benzyl-aminopyridazinone
    32845 P90
    DB04285
    ZINC000014881165    		 4 C31 H25 F2 N4 O3 P S InChI=1S/C31H25F2N4O3PS/c
    32-31(33,41(38,39)40)24-1
    8-16-23(17-19-24)21-30(20
    -8-11-22-9-2-1-3-10-22,29
    -34-26-13-5-7-15-28(26)42
    -29)37-27-14-6-4-12-25(27
    )35-36-37/h1-19H,20-21H2,
    (H2,38,39,40)/b11-8+/t30-
    /m1/s1;
    GBLDYRVJENYQNH-AGLOJYHOSA-N    		 c1ccc(cc1)\C=C\C[C@@](Cc2ccc(cc2)C(F)(F)
    P(=O)(O)O)(c3nc4ccccc4s3)n5c6ccccc6nn5;
    FC(F)(c1ccc(cc1)CC(c2nc3ccccc3s2)(n5nnc4
    ccccc45)C\C=C\c6ccccc6)P(=O)(O)O; O[P](O
    )(=O)C(F)(F)c1ccc(C[C@@](C\C=C\c2ccccc2)
    (n3nnc4ccccc34)c5sc6ccccc6n5)cc1; c1ccc(
    cc1)C=CCC(Cc2ccc(cc2)C(F)(F)P(=O)(O)O)(c
    3nc4ccccc4s3)n5c6ccccc6nn5; O[P](O)(=O)C
    (F)(F)c1ccc(C[C](CC=Cc2ccccc2)(n3nnc4ccc
    cc34)c5sc6ccccc6n5)cc1    		 {4-[(2S,4E)-2-(1,3-BENZOTHIAZOL-2-YL)-2-(1H-1,2,3-BENZOTRIAZOL-1-YL)-5-PHENYLPENT-4-ENYL]PHENYL}(DIFLUORO)METHYLPHOSPHONIC ACID
    32846 P91
    DB08365
    ZINC000038256084    		 1 C20 H15 Br Cl N3 O4 InChI=1S/C20H15BrClN3O4/c
    1-25-12-8-10(9-4-2-3-5-11
    (9)22)13-15(19(28)24-18(1
    3)27)14(12)16(21)17(25)20
    (29)23-6-7-26/h2-5,8,26H,
    6-7H2,1H3,(H,23,29)(H,24,
    27,28);
    XUAHLMVOYLUYSB-UHFFFAOYSA-N    		 Clc4ccccc4c2c1C(=O)NC(=O)c1c3c(c2)n(c(c3
    Br)C(=O)NCCO)C; Cn1c2cc(c3c(c2c(c1C(=O)N
    CCO)Br)C(=O)NC3=O)c4ccccc4Cl; Cn1c2cc(c3
    ccccc3Cl)c4C(=O)NC(=O)c4c2c(Br)c1C(=O)NC
    CO    		 8-bromo-4-(2-chlorophenyl)-N-(2-hydroxyethyl)-6-methyl-1,3-dioxo-1,2,3,6-tetrahydropyrrolo[3,4-e]indole-7-carboxamide
    32847 P92
    CHEMBL113414
    ZINC000012341569    		 1 C7 H5 N O S InChI=1S/C7H5NOS/c10-7-8-
    5-3-1-2-4-6(5)9-7/h1-4H,(
    H,8,10);
    FLFWJIBUZQARMD-UHFFFAOYSA-N    		 S=C1Nc2ccccc2O1; c1ccc2c(c1)NC(=S)O2 3~{H}-1,3-benzoxazole-2-thione
    32848 P93 1 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c13-1
    0(12-4-1-2-5-12)11-7-9-3-
    6-14-8-9/h3,6,8H,1-2,4-5,
    7H2,(H,11,13);
    ONGBBTQZWYAQQB-UHFFFAOYSA-N    		 O=C(NCc1cocc1)N2CCCC2; O=C(N1CCCC1)NCc2c
    occ2; c1cocc1CNC(=O)N2CCCC2    		 N-[(furan-3-yl)methyl]pyrrolidine-1-carboxamide
    32849 P94
    CHEMBL4062164    		 6 C19 H18 N4 InChI=1S/C19H18N4/c20-12-
    15-3-1-14(2-4-15)9-10-22-
    13-16-5-6-17-7-8-19(21)23
    -18(17)11-16/h1-8,11,22H,
    9-10,13H2,(H2,21,23);
    CDHZAJGZCBJOTB-UHFFFAOYSA-N    		 c1cc(ccc1CCNCc2ccc3ccc(nc3c2)N)C#N; N#Cc
    3ccc(CCNCc1cc2c(cc1)ccc(N)n2)cc3; Nc1ccc
    2ccc(CNCCc3ccc(cc3)C#N)cc2n1    		 4-(2-{[(2-aminoquinolin-7-yl)methyl]amino}ethyl)benzonitrile
    32850 P95
    CHEMBL4574762    		 1 C16 H10 N6 O2 S2 InChI=1S/C16H10N6O2S2/c23
    -12(22-16-18-4-1-5-19-16)
    9-3-7-25-14(9)21-13(24)15
    -20-10-8-17-6-2-11(10)26-
    15/h1-8H,(H,21,24)(H,18,1
    9,22,23);
    AJCHWWGZVVPQDY-UHFFFAOYSA-N    		 c1cnc(nc1)NC(=O)c2ccsc2NC(=O)c3nc4cnccc4
    s3; O=C(Nc1sccc1C(=O)Nc2ncccn2)c3sc4ccnc
    c4n3    		 ~{N}-[3-(pyrimidin-2-ylcarbamoyl)thiophen-2-yl]-[1,3]thiazolo[4,5-c]pyridine-2-carboxamide
    32851 P96
    CHEMBL4170894
    ZINC000095631304    		 2 C25 H32 I N3 O InChI=1S/C25H32IN3O/c1-3-
    29(4-2)23-12-15-28(16-13-
    23)19-21-17-20(18-24(26)2
    5(21)30)9-8-14-27-22-10-6
    -5-7-11-22/h5-7,10-11,17-
    18,23,27,30H,3-4,12-16,19
    H2,1-2H3;
    IZUZDXSTWPMHFT-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)I)C#CCNc3c
    cccc3; Ic2c(O)c(cc(C#CCNc1ccccc1)c2)CN3C
    CC(N(CC)CC)CC3; CCN(CC)C1CCN(CC1)Cc2cc(c
    c(I)c2O)C#CCNc3ccccc3    		 2-{[4-(diethylamino)piperidin-1-yl]methyl}-6-iodo-4-[3-(phenylamino)prop-1-yn-1-yl]phenol
    32852 P97
    ZINC000095920845    		 1 C20 H23 Cl N4 O2 InChI=1S/C20H23ClN4O2/c21
    -16-8-9-23-12-15(16)13-24
    -19(26)18-7-4-10-25(18)20
    (27)17(22)11-14-5-2-1-3-6
    -14/h1-3,5-6,8-9,12,17-18
    H,4,7,10-11,13,22H2,(H,24
    ,26)/t17-,18+/m1/s1;
    ZRBVLANXQQYBLM-MSOLQXFVSA-N    		 c1ccc(cc1)C[C@H](C(=O)N2CCC[C@H]2C(=O)NC
    c3cnccc3Cl)N; c1ccc(cc1)CC(C(=O)N2CCCC2C
    (=O)NCc3cnccc3Cl)N; N[CH](Cc1ccccc1)C(=O
    )N2CCC[CH]2C(=O)NCc3cnccc3Cl; N[C@H](Cc1
    ccccc1)C(=O)N2CCC[C@H]2C(=O)NCc3cnccc3Cl
    ; O=C(NCc1c(Cl)ccnc1)C3N(C(=O)C(N)Cc2ccc
    cc2)CCC3    		 D-phenylalanyl-N-[(4-chloropyridin-3-yl)methyl]-L-prolinamide
    32853 P98
    CHEMBL3091492
    ZINC000095921005    		 2 C26 H23 N3 O InChI=1S/C26H23N3O/c1-18(
    2)26-28-24-15-14-22(16-25
    (24)29(26)21-9-4-3-5-10-2
    1)30-17-20-13-12-19-8-6-7
    -11-23(19)27-20/h3-16,18H
    ,17H2,1-2H3;
    DUSPRZSUFQRSKK-UHFFFAOYSA-N    		 CC(C)c1nc2ccc(cc2n1c3ccccc3)OCc4ccc5cccc
    c5n4; CC(C)c1nc2ccc(OCc3ccc4ccccc4n3)cc2
    n1c5ccccc5; n4c3ccc(OCc1nc2c(cc1)cccc2)c
    c3n(c4C(C)C)c5ccccc5    		 2-({[1-phenyl-2-(propan-2-yl)-1H-benzimidazol-6-yl]oxy}methyl)quinoline
    32854 P99
    CHEMBL1097940
    ZINC000002541692    		 4 C16 H16 F2 N2 O4 S2 InChI=1S/C16H16F2N2O4S2/c
    17-13-8-11(9-14(18)16(13)
    24-10-15(19)21)25-7-6-20-
    26(22,23)12-4-2-1-3-5-12/
    h1-5,8-9,20H,6-7,10H2,(H2
    ,19,21);
    GTACSIONMHMRPD-UHFFFAOYSA-N    		 NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2
    )cc1F; O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC
    (=O)N)c(F)c2; c1ccc(cc1)S(=O)(=O)NCCSc2c
    c(c(c(c2)F)OCC(=O)N)F    		 2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide;
    2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
    32855 P9A
    CHEMBL1235122
    DB08366
    ZINC000035050252    		 1 C24 H29 N O7 InChI=1S/C24H29NO7/c1-22(
    7-6-17(28)25-18-14(26)4-3
    -13(19(18)29)21(30)31)16(
    27)5-8-24-10-12-9-15(20(2
    2)24)32-23(12,2)11-24/h3-
    4,12,15,20,26,29H,5-11H2,
    1-2H3,(H,25,28)(H,30,31)/
    t12-,15+,20+,22-,23+,24+/
    m1/s1;
    XADCWKSMHQPTGH-OFBLZTNGSA-N    		 C[C@@]12C[C@@]34CCC(=O)[C@@]([C@@H]3[C@@
    H](O1)C[C@@H]2C4)(C)CCC(=O)Nc5c(ccc(c5O)
    C(=O)O)O; C[C@]12C[C@@]34CCC(=O)[C@@](C)
    (CCC(=O)Nc5c(O)ccc(C(O)=O)c5O)[C@@H]3[C@
    H](C[C@@H]1C4)O2; CC12CC34CCC(=O)C(C3C(O
    1)CC2C4)(C)CCC(=O)Nc5c(ccc(c5O)C(=O)O)O;
    C[C]12C[C]34CCC(=O)[C](C)(CCC(=O)Nc5c(O
    )ccc(C(O)=O)c5O)[CH]3[CH](C[CH]1C4)O2; O
    =C(O)c1c(O)c(c(O)cc1)NC(=O)CCC5(C(=O)CCC
    34CC2CC(OC2(C3)C)C45)C    		 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxodecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    32856 P9B
    CHEMBL316779
    ZINC000003960038    		 1 C13 H8 F5 N3 O3 S InChI=1S/C13H8F5N3O3S/c14
    -7-8(15)10(17)12(11(18)9(
    7)16)21-13(22)20-5-1-3-6(
    4-2-5)25(19,23)24/h1-4H,(
    H2,19,23,24)(H2,20,21,22);
    IOSBUNBTXXXMFG-UHFFFAOYSA-N    		 O=S(=O)(N)c2ccc(NC(=O)Nc1c(F)c(F)c(F)c(F
    )c1F)cc2; c1cc(ccc1NC(=O)Nc2c(c(c(c(c2F)
    F)F)F)F)S(=O)(=O)N; N[S](=O)(=O)c1ccc(NC
    (=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1    		 4-{[(pentafluorophenyl)carbamoyl]amino}benzenesulfonamide
    32857 P9C
    ZINC000058549853    		 1 C30 H33 N O7 InChI=1S/C30H33NO7/c1-28(
    11-10-23(34)31-24-20(32)9
    -8-18(25(24)35)27(36)37)2
    2(33)13-19(16-6-4-3-5-7-1
    6)30-14-17-12-21(26(28)30
    )38-29(17,2)15-30/h3-9,17
    ,19,21,26,32,35H,10-15H2,
    1-2H3,(H,31,34)(H,36,37)/
    t17-,19-,21+,26+,28-,29+,
    30+/m1/s1;
    WDRJLSQVOAFEDA-ZORPPZNDSA-N    		 C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](
    C(=O)C[C@@H]4c5ccccc5)(C)CCC(=O)Nc6c(ccc
    (c6O)C(=O)O)O)O2; C[C@]12C[C@]34C[C@H]1C
    [C@H](O2)[C@H]3[C@](C)(CCC(=O)Nc5c(O)ccc
    (C(O)=O)c5O)C(=O)C[C@@H]4c6ccccc6; CC12C
    C34CC1CC(C3C(C(=O)CC4c5ccccc5)(C)CCC(=O)
    Nc6c(ccc(c6O)C(=O)O)O)O2; O=C(O)c1c(O)c(
    c(O)cc1)NC(=O)CCC3(C(=O)CC(c2ccccc2)C46C
    3C5OC(C)(C4)C(C5)C6)C; C[C]12C[C]34C[CH]
    1C[CH](O2)[CH]3[C](C)(CCC(=O)Nc5c(O)ccc(
    C(O)=O)c5O)C(=O)C[CH]4c6ccccc6    		 3-({3-[(1S,4S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-4-phenyldecahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
    32858 P9D
    CHEMBL394052    		 3 C31 H39 N11 O6 S InChI=1S/C31H39N11O6S/c1-
    31(2,3)22-18-49-29(33-22)
    35-27(45)19-10-13-41-24(1
    5-19)34-26(21(28(41)46)8-
    9-23-36-38-39-37-23)40-12
    -6-7-20(16-40)48-30(47)32
    -11-14-42(4,5)17-25(43)44
    /h8-10,13,15,18,20H,6-7,1
    1-12,14,16-17H2,1-5H3,(H3
    -,32,33,35,36,37,38,39,43
    ,44,45,47)/t20-/m1/s1;
    RVJNIKFVEAWLQC-HXUWFJFHSA-N    		 CC(C)(C)c1csc(n1)NC(=O)C2=CC3=NC(=C(C(=O
    )N3C=C2)C=Cc4[nH]nnn4)N5CCCC(C5)OC(=O)NC
    C[N+](C)(C)CC(=O)[O-]; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(\C=C\c4[nH]nnn4)C(=O)N3C
    =C2)N5CCC[C@H](C5)OC(=O)NCC[N+](C)(C)CC(
    [O-])=O)n1; CC(C)(C)c1csc(n1)NC(=O)C2=CC
    3=NC(=C(C(=O)N3C=C2)/C=C/c4[nH]nnn4)N5CC
    C[C@H](C5)OC(=O)NCC[N+](C)(C)CC(=O)[O-];
    O=C(Nc1nc(cs1)C(C)(C)C)C5=CC4=NC(N2CCCC
    (OC(=O)NCC[N+](CC([O-])=O)(C)C)C2)=C(\C=
    C\c3nnnn3)C(=O)N4C=C5; CC(C)(C)c1csc(NC(
    =O)C2=CC3=NC(=C(C=Cc4[nH]nnn4)C(=O)N3C=C
    2)N5CCC[CH](C5)OC(=O)NCC[N+](C)(C)CC([O-
    ])=O)n1    		 [{2-[({[(3R)-1-{8-[(4-tert-butyl-1,3-thiazol-2-yl)carbamoyl]-4-oxo-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-4H-pyrido[1,2-a]pyrimidin-2-yl}piperidin-3-yl]oxy}carbonyl)amino]ethyl}(dimethyl)ammonio]acetate
    32859 P9E
    ZINC000034925135    		 2 C7 H6 N2 O3 S2 InChI=1S/C7H6N2O3S2/c8-14
    (10,11)4-1-2-6-5(3-4)9-7(
    13)12-6/h1-3H,(H,9,13)(H2
    ,8,10,11);
    SCMGHROIQYCXRC-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc2OC(=S)Nc2c1; c1cc2c(cc
    1S(=O)(=O)N)NC(=S)O2    		 2-sulfanylidene-3~{H}-1,3-benzoxazole-5-sulfonamide
    32860 P9F 1 C25 H29 Cl N2 O5 InChI=1S/C25H29ClN2O5/c26
    -19-11-13-20(14-12-19)33-
    25(32)28-21(15-17-7-3-1-4
    -8-17)23(29)27-22(24(30)3
    1)16-18-9-5-2-6-10-18/h2,
    5-6,9-14,17,21-22H,1,3-4,
    7-8,15-16H2,(H,27,29)(H,2
    8,32)(H,30,31)/t21-,22-/m
    0/s1;
    XQAHEQBJBQAMLZ-VXKWHMMOSA-N    		 c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)[C@H](CC2
    CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[CH](C
    c1ccccc1)NC(=O)[CH](CC2CCCCC2)NC(=O)Oc3c
    cc(Cl)cc3; c1ccc(cc1)CC(C(=O)O)NC(=O)C(C
    C2CCCCC2)NC(=O)Oc3ccc(cc3)Cl; OC(=O)[C@H
    ](Cc1ccccc1)NC(=O)[C@H](CC2CCCCC2)NC(=O)
    Oc3ccc(Cl)cc3    		 (2S)-2-[[(2S)-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid;
    (2~{S})-2-[[(2~{S})-2-[(4-chloranylphenoxy)carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
    32861 P9G 0 C23 H27 N8 O7 P Pt InChI=1S/C13H9N.C10H14N5O
    7P.2H2N.Pt/c1-2-6-11-10(5
    -1)9-14-13-8-4-3-7-12(11)
    13;11-10-13-8-7(9(17)14-1
    0)12-3-15(8)6-1-4(16)5(22
    -6)2-21-23(18,19)20;;;/h1
    -9H;3-6,16H,1-2H2,(H2,18,
    19,20)(H3,11,13,14,17);2*
    1H2;/q;;2*-1;+2/t;4-,5+,6
    +;;;/m.0.../s1;
    ZHXCYGVJRWIEAF-LKLUREFCSA-N    		 C1C(C(OC1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N
    )(N)[N]4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O
    )(O)O)O; O=P(O)(O)OCC6OC(n2cn(c1c2N=C(N)
    NC1=O)[Pt](N)(N)n5c3ccccc3c4ccccc4c5)CC6
    O; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn(
    [C@H]5C[C@H](O)[C@@H](CO[P](O)(O)=O)O5)c
    6nc(N)[nH]c(=O)c46; C1[C@@H]([C@H](O[C@H
    ]1N2C=[N](C3=C2N=C(NC3=O)N)[Pt](N)(N)[N]
    4=C5C=CC=CC5=C6C=CC=CC6=C4)COP(=O)(O)O)O
    ; N[Pt](N)(|n1cc2ccccc2c3ccccc13)|n4cn([
    CH]5C[CH](O)[CH](CO[P](O)(O)=O)O5)c6nc(N
    )[nH]c(=O)c46    		 diamino(2'-deoxy-5'-guanylic acid-kappaN~8~)(phenanthridine)platinum
    32862 P9H 4 C19 H25 N3 O7 S InChI=1S/C19H25N3O7S/c20-
    13(19(28)29)6-7-16(24)22-
    14(18(27)21-10-17(25)26)1
    1-30-15(8-9-23)12-4-2-1-3
    -5-12/h1-5,9,13-15H,6-8,1
    0-11,20H2,(H,21,27)(H,22,
    24)(H,25,26)(H,28,29)/t13
    -,14-,15+/m0/s1;
    OOFSDLPAAPKBNR-SOUVJXGZSA-N    		 c1ccc(cc1)[C@@H](CC=O)SC[C@@H](C(=O)NCC(
    =O)O)NC(=O)CC[C@@H](C(=O)O)N; N[CH](CCC(
    =O)N[CH](CS[CH](CC=O)c1ccccc1)C(=O)NCC(O
    )=O)C(O)=O; c1ccc(cc1)C(CC=O)SCC(C(=O)NC
    C(=O)O)NC(=O)CCC(C(=O)O)N; N[C@@H](CCC(=
    O)N[C@@H](CS[C@H](CC=O)c1ccccc1)C(=O)NCC
    (O)=O)C(O)=O    		 (2~{S})-2-azanyl-5-[[(2~{R})-1-(2-hydroxy-2-oxoethylamino)-1-oxidanylidene-3-[(1~{R})-3-oxidanylidene-1-phenyl-propyl]sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid;
    Glutathionyl-cinnamaldehyde
    32863 P9I
    ZINC000095920609    		 3 C15 H13 N2 O InChI=1S/C15H12N2O/c1-11(
    18)15-10-12(13-6-2-4-8-16
    -13)14-7-3-5-9-17(14)15/h
    2-10H,1H3/p+1;
    WOSGOHDUUBVSBO-UHFFFAOYSA-O    		 C/C(=C/1\C=C(c2[n+]1cccc2)c3ccccn3)/O; C
    C(O)=C1C=C(c2ccccn2)c3cccc[n+]13; CC(/O)
    =C/1C=C(c2ccccn2)c3cccc[n+]/13; O\C(=C2\
    C=C(c1ncccc1)c3cccc[n+]23)C; CC(=C1C=C(c
    2[n+]1cccc2)c3ccccn3)O    		 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE
    32864 P9J
    CHEMBL1615165
    ZINC000043128171    		 2 C18 H15 N5 O InChI=1S/C18H15N5O/c1-12-
    11-16(21-20-12)19-17-14-9
    -5-6-10-15(14)18(24)23(22
    -17)13-7-3-2-4-8-13/h2-11
    H,1H3,(H2,19,20,21,22);
    DSDIWWSXOOXFSI-UHFFFAOYSA-N    		 Cc1cc(n[nH]1)NC2=NN(C(=O)c3c2cccc3)c4ccc
    cc4; O=C3N(N=C(Nc1nnc(c1)C)c2ccccc23)c4c
    cccc4; Cc1[nH]nc(NC2=NN(c3ccccc3)C(=O)c4
    ccccc24)c1    		 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1(2H)-one
    32865 P9K 4 C22 H19 F3 N6 O3 S InChI=1S/C22H19F3N6O3S/c1
    -31(35(2,33)34)18-6-4-3-5
    -13(18)11-26-20-16(22(23,
    24)25)12-27-21(30-20)28-1
    5-7-8-17-14(9-15)10-19(32
    )29-17/h3-9,11-12H,10H2,1
    -2H3,(H,29,32)(H,27,28,30
    )/b26-11+;
    MONLGZGTNBTOCO-KBKYJPHKSA-N    		 CN(c1ccccc1/C=N/c2c(cnc(n2)Nc3ccc4c(c3)C
    C(=O)N4)C(F)(F)F)S(=O)(=O)C; CN(c1ccccc1
    C=Nc2nc(Nc3ccc4NC(=O)Cc4c3)ncc2C(F)(F)F)
    [S](C)(=O)=O; CN(c1ccccc1C=Nc2c(cnc(n2)N
    c3ccc4c(c3)CC(=O)N4)C(F)(F)F)S(=O)(=O)C    		 N-Methyl-N-(2-{[2-(2-oxo-2,3-dihydro-1H-indol-5-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-phenyl)-methanesulfonamide
    32866 P9L
    CHEMBL1950957
    ZINC000001422669    		 1 C14 H19 N3 O4 S InChI=1S/C14H19N3O4S/c1-1
    5-10-11-9-12(3-4-13(11)16
    (2)14(15)18)22(19,20)17-5
    -7-21-8-6-17/h3-4,9H,5-8,
    10H2,1-2H3;
    LFBDSGLXLXJATE-UHFFFAOYSA-N    		 CN1Cc2cc(ccc2N(C1=O)C)S(=O)(=O)N3CCOCC3;
    CN1Cc2cc(ccc2N(C)C1=O)[S](=O)(=O)N3CCOC
    C3; O=S(=O)(N1CCOCC1)c3cc2c(N(C(=O)N(C)C
    2)C)cc3    		 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one
    32867 P9M
    CHEMBL2181721
    ZINC000064837476    		 3 C17 H22 N2 O3 S InChI=1S/C17H22N2O3S/c1-1
    1-8-9-14(17-12(2)18-22-13
    (17)3)10-16(11)23(20,21)1
    9-15-6-4-5-7-15/h8-10,15,
    19H,4-7H2,1-3H3;
    YTFPNQZFSVSZGW-UHFFFAOYSA-N    		 Cc1onc(C)c1c2ccc(C)c(c2)[S](=O)(=O)NC3CC
    CC3; Cc1ccc(cc1S(=O)(=O)NC2CCCC2)c3c(noc
    3C)C; O=S(=O)(c2cc(c1c(onc1C)C)ccc2C)NC3
    CCCC3    		 N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide
    32868 P9N
    CHEMBL210952
    DB12308
    ZINC000003800039    		 18 C21 H34 O2 InChI=1S/C21H34O2/c1-13(2
    2)17-6-7-18-16-5-4-14-12-
    15(23)8-10-20(14,2)19(16)
    9-11-21(17,18)3/h14-19,23
    H,4-12H2,1-3H3/t14-,15-,1
    6+,17-,18+,19+,20+,21-/m1
    /s1;
    AURFZBICLPNKBZ-YZRLXODZSA-N    		 CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H
    ]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)C; CC(=O
    )[CH]1CC[CH]2[CH]3CC[CH]4C[CH](O)CC[C]4(
    C)[CH]3CC[C]12C; CC(=O)C1CCC2C1(CCC3C2CC
    C4C3(CCC(C4)O)C)C; CC(=O)[C@H]1CC[C@H]2[
    C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3
    CC[C@]12C    		 Pregnanolone;
    (3alpha,5beta)-3-Hydroxypregnan-20-one
    32869 P9O 3 C18 H18 Cl N3 O2 InChI=1S/C18H18ClN3O2/c19
    -12-1-2-17-14(7-12)13(4-6
    -24-17)18(23)22-16-10-21-
    8-11-3-5-20-9-15(11)16/h1
    -2,7-8,10,13,20H,3-6,9H2,
    (H,22,23)/t13-/m1/s1;
    MLMSDXNATONIOS-CYBMUJFWSA-N    		 c1cc2c(cc1Cl)C(CCO2)C(=O)Nc3cncc4c3CNCC4
    ; Clc1ccc2OCC[CH](C(=O)Nc3cncc4CCNCc34)c
    2c1; c1cc2c(cc1Cl)[C@@H](CCO2)C(=O)Nc3cn
    cc4c3CNCC4; Clc1ccc2OCC[C@@H](C(=O)Nc3cn
    cc4CCNCc34)c2c1; Clc1ccc2OCCC(c2c1)C(=O)
    Nc1cncc2CCNCc21    		 (4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide
    32870 P9P
    CHEMBL150824
    ZINC000012358970    		 19 C6 H4 Cl N O3 InChI=1S/C6H4ClNO3/c7-5-3
    -4(8(10)11)1-2-6(5)9/h1-3
    ,9H;
    BOFRXDMCQRTGII-UHFFFAOYSA-N    		 c1cc(c(cc1N(=O)=O)Cl)O; Oc1ccc(cc1Cl)[N]
    (=O)=O    		 2-chloranyl-4-nitro-phenol
    32871 P9Q 2 C15 H32 N2 O4 InChI=1S/C15H32N2O4/c16-7
    -5-3-1-2-4-6-8-17-12-9-13
    (19)15(21)14(20)11(12)10-
    18/h11-15,17-21H,1-10,16H
    2/t11-,12+,13-,14+,15+/m0
    /s1;
    HEJOCOWXPPQFHY-XPABHHOTSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)
    CO)NCCCCCCCCN; NCCCCCCCCN[CH]1C[CH](O)[C
    H](O)[CH](O)[CH]1CO; C1C(C(C(C(C1O)O)O)C
    O)NCCCCCCCCN; NCCCCCCCCN[C@@H]1C[C@H](O)
    [C@@H](O)[C@H](O)[C@H]1CO    		 (1~{S},2~{R},3~{R},4~{R},5~{R})-5-(8-azanyloctylamino)-4-(hydroxymethyl)cyclohexane-1,2,3-triol
    32872 P9R 1 C25 H42 N3 O8 S InChI=1S/C25H40N3O8S/c1-1
    5(2)10-20(28-25(32)36-14-
    19-12-18(19)11-16-6-4-3-5
    -7-16)23(30)27-21(24(31)3
    7(33,34)35)13-17-8-9-26-2
    2(17)29/h9,15-21,24,31H,3
    -8,10-14H2,1-2H3,(H2-2,27
    ,28,30,32,33,34,35)/q-1/p
    +2/t17-,18-,19+,20-,21-,2
    4+/m0/s1;
    UNYDBHQZGVQZAY-KAXVZBFOSA-P    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CC=NC1
    =O)[C@H](O)[S+](=O)(O)O)NC(=O)OC[C@H]2C[
    C@@H]2CC3CCCCC3; CC(C)C[C@H](NC(=O)OC[C@
    H]1C[C@@H]1CC2CCCCC2)C(=O)N[C@@H](C[C@@H
    ]3CC=NC3=O)[C@H](O)[S+](O)(O)=O; CC(C)CC
    (C(=O)NC(CC1CC=NC1=O)C(O)[S+](=O)(O)O)NC
    (=O)OCC2CC2CC3CCCCC3; CC(C)C[CH](NC(=O)O
    C[CH]1C[CH]1CC2CCCCC2)C(=O)N[CH](C[CH]3C
    C=NC3=O)[CH](O)[S+](O)(O)=O    		 [(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
    32873 P9S 0 C6 H13 N O4 S InChI=1S/C6H13NO4S/c7-5(6
    (10)11)3-12-2-4(9)1-8/h4-
    5,8-9H,1-3,7H2,(H,10,11)/
    t4-,5+/m1/s1;
    GPWYBXDQHZIBPR-UHNVWZDZSA-N    		 C(C(CSCC(C(=O)O)N)O)O; N[CH](CSC[CH](O)C
    O)C(O)=O; N[C@@H](CSC[C@H](O)CO)C(O)=O;
    C([C@H](CSC[C@@H](C(=O)O)N)O)O    		 dihydroxypropylcysteine
    32874 P9T
    CHEMBL4533674
    ZINC000621478413    		 3 C10 H7 F2 O5 P InChI=1S/C10H7F2O5P/c11-6
    -2-7(12)10-5(4-18(14,15)1
    6)1-9(13)17-8(10)3-6/h1-3
    H,4H2,(H2,14,15,16);
    RMYHVOFFXNNDCT-UHFFFAOYSA-N    		 C2(=O)C=C(CP(=O)(O)O)c1c(cc(cc1F)F)O2; O
    [P](O)(=O)CC1=CC(=O)Oc2cc(F)cc(F)c12; c1
    c(cc(c2c1OC(=O)C=C2CP(=O)(O)O)F)F    		 [(5,7-difluoro-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    32875 P9U 1 C41 H44 Cl N3 O6 InChI=1S/C41H44ClN3O6/c42
    -34-27-33(21-22-35(34)43-
    38(46)32(23-28-13-5-1-6-1
    4-28)24-29-15-7-2-8-16-29
    )51-41(50)45-36(25-30-17-
    9-3-10-18-30)39(47)44-37(
    40(48)49)26-31-19-11-4-12
    -20-31/h1-2,4-8,11-16,19-
    22,27,30,32,36-37H,3,9-10
    ,17-18,23-26H2,(H,43,46)(
    H,44,47)(H,45,50)(H,48,49
    )/t36-,37-/m0/s1;
    YPHQKMBBCYVKBP-BCRBLDSWSA-N    		 c1ccc(cc1)CC(Cc2ccccc2)C(=O)Nc3ccc(cc3Cl
    )OC(=O)NC(CC4CCCCC4)C(=O)NC(Cc5ccccc5)C(
    =O)O; OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](
    CC2CCCCC2)NC(=O)Oc3ccc(NC(=O)C(Cc4ccccc4
    )Cc5ccccc5)c(Cl)c3; c1ccc(cc1)C[C@@H](C(
    =O)O)NC(=O)[C@H](CC2CCCCC2)NC(=O)Oc3ccc(
    c(c3)Cl)NC(=O)C(Cc4ccccc4)Cc5ccccc5; OC(
    =O)[CH](Cc1ccccc1)NC(=O)[CH](CC2CCCCC2)N
    C(=O)Oc3ccc(NC(=O)C(Cc4ccccc4)Cc5ccccc5)
    c(Cl)c3    		 (2S)-2-[[(2S)-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid;
    (2~{S})-2-[[(2~{S})-2-[[3-chloranyl-4-[[3-phenyl-2-(phenylmethyl)propanoyl]amino]phenoxy]carbonylamino]-3-cyclohexyl-propanoyl]amino]-3-phenyl-propanoic acid
    32876 P9V 2 C8 H17 N O3 S InChI=1S/C8H17NO3S/c1-13-
    3-2-5-7(11)8(12)6(10)4-9-
    5/h5-12H,2-4H2,1H3/t5-,6-
    ,7+,8+/m1/s1;
    ZTGUKWHBLOJEPU-NGJRWZKOSA-N    		 CSCCC1C(C(C(CN1)O)O)O; CSCC[CH]1NC[CH](O
    )[CH](O)[CH]1O; CSCC[C@H]1NC[C@@H](O)[C@
    H](O)[C@H]1O; CSCC[C@@H]1[C@@H]([C@H]([C
    @@H](CN1)O)O)O; CSCCC1NCC(C(C1O)O)O    		 (2R,3S,4S,5R)-2-[2-(methylsulfanyl)ethyl]piperidine-3,4,5-triol
    32877 P9X
    ZINC000000000010    		 3 C12 H10 O4 InChI=1S/C12H10O4/c1-12(8
    -5-3-2-4-6-8)10(13)7-9(16
    -12)11(14)15/h2-7H,1H3,(H
    ,14,15)/t12-/m0/s1;
    DFDGRKNOFOJBAJ-LBPRGKRZSA-N    		 CC1(C(=O)C=C(O1)C(=O)O)c2ccccc2; C[C@]1(
    OC(=CC1=O)C(O)=O)c2ccccc2; C[C@@]1(C(=O)
    C=C(O1)C(=O)O)c2ccccc2; C[C]1(OC(=CC1=O)
    C(O)=O)c2ccccc2    		 (5~{S})-5-methyl-4-oxidanylidene-5-phenyl-furan-2-carboxylic acid;
    Acifran
    32878 P9Y
    CHEMBL2285864
    ZINC000016662291    		 1 C12 H13 Cl N2 O InChI=1S/C12H13ClN2O/c13-
    11-2-4-12(5-3-11)16-9-1-7
    -15-8-6-14-10-15/h2-6,8,1
    0H,1,7,9H2;
    SKSDKBJVBWKTMH-UHFFFAOYSA-N    		 c1cc(ccc1OCCCn2ccnc2)Cl; c1(ccc(cc1)Cl)O
    CCCn2ccnc2; Clc1ccc(OCCCn2ccnc2)cc1    		 1-[3-(4-chlorophenoxy)propyl]-1H-imidazole
    32879 PA0
    CHEMBL477683    		 3 C6 H5 As O InChI=1S/C6H5AsO/c8-7-6-4
    -2-1-3-5-6/h1-5H;
    BQVCCPGCDUSGOE-UHFFFAOYSA-N    		 c1ccc(cc1)[As]=O; O=[As]c1ccccc1 Phenylarsine oxide;
    oxo(phenyl)arsane
    32880 PA1
    CHEMBL606759
    ZINC000003860469    		 8 C6 H13 N O5 InChI=1S/C6H13NO5/c7-3-5(
    10)4(9)2(1-8)12-6(3)11/h2
    -6,8-11H,1,7H2/t2-,3-,4-,
    5-,6+/m1/s1;
    MSWZFWKMSRAUBD-UKFBFLRUSA-N    		 N[C@H]1[C@@H](O)O[C@H](CO)[C@@H](O)[C@@H
    ]1O; N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
    ; C(C1C(C(C(C(O1)O)N)O)O)O; C([C@@H]1[C@
    H]([C@@H]([C@H]([C@H](O1)O)N)O)O)O; OC1C
    (O)C(OC(O)C1N)CO    		 2-amino-2-deoxy-alpha-D-glucopyranose;
    alpah-D-glucosamine;
    2-amino-2-deoxy-alpha-D-glucose;
    2-amino-2-deoxy-D-glucose;
    2-amino-2-deoxy-glucose
    32881 PA2 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-1
    -4(8)6(10)5(9)2-3/h3-6,9-
    10H,1-2,7-8H2/t3-,4+,5-,6
    -/m0/s1;
    QOLDZWBHLDQIJR-FSIIMWSLSA-N    		 C1C(CC(C(C1N)O)O)N; N[CH]1C[CH](N)[CH](O
    )[CH](O)C1; N[C@H]1C[C@@H](N)[C@H](O)[C@
    @H](O)C1; OC1CC(N)CC(N)C1O; C1[C@@H](C[C
    @@H]([C@H]([C@@H]1N)O)O)N    		 PAROMOMYCIN (RING 2)
    32882 PA3 0 C5 H10 O3 InChI=1S/C5H10O3/c6-2-5-1
    -4(7)3-8-5/h4-7H,1-3H2/t4
    -,5+/m1/s1;
    WDMXOLOBWMBITN-UHNVWZDZSA-N    		 OC[C@@H]1C[C@@H](O)CO1; C1[C@H](CO[C@@H]
    1CO)O; OCC1OCC(O)C1; C1C(COC1CO)O; OC[CH
    ]1C[CH](O)CO1    		 PAROMOMYCIN (RING 3)
    32883 PA4 0 C6 H14 N2 O4 InChI=1/C6H14N2O4/c7-1-2-
    4(9)5(10)3(8)6(11)12-2/h2
    -6,9-11H,1,7-8H2/t2-,3+,4
    +,5+,6-/m0/s1;
    SQTHUUHOUPJYLK-BSQWINAVBJ    		 C([C@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)N)
    O)O)N; NC[CH]1O[CH](O)[CH](N)[CH](O)[CH]
    1O; C(C1C(C(C(C(O1)O)N)O)O)N; NC[C@@H]1O
    [C@H](O)[C@H](N)[C@@H](O)[C@@H]1O; OC1C(
    O)C(OC(O)C1N)CN    		 PAROMOMYCIN (RING 4)
    32884 PA5
    DB03042    		 19 C5 H11 O9 P InChI=1S/C5H11O9P/c6-2(1-
    14-15(11,12)13)3(7)4(8)5(
    9)10/h2-4,6-8H,1H2,(H,9,1
    0)(H2,11,12,13)/t2-,3-,4+
    /m1/s1;
    HNECGPFIYSOYHF-JJYYJPOSSA-N    		 O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H](O)C(
    O)=O; O=P(O)(O)OCC(O)C(O)C(O)C(=O)O; C([
    C@H]([C@H]([C@@H](C(=O)O)O)O)O)OP(=O)(O)
    O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C(O
    )=O; C(C(C(C(C(=O)O)O)O)O)OP(=O)(O)O    		 5-PHOSPHOARABINONIC ACID
    32885 PA6
    DB08367
    ZINC000005972939    		 7 C9 H17 O8 P InChI=1S/C9H17O8P/c1-2-3-
    4-9(11)15-5-8(16-7-10)6-1
    7-18(12,13)14/h7-8H,2-6H2
    ,1H3,(H2,12,13,14)/t8-/m1
    /s1;
    JDTMNMAQWVSSOO-MRVPVSSYSA-N    		 O=P(O)(OCC(OC=O)COC(=O)CCCC)O; CCCCC(=O)
    OC[CH](CO[P](O)(O)=O)OC=O; CCCCC(=O)OCC(
    COP(=O)(O)O)OC=O; CCCCC(=O)OC[C@H](COP(=
    O)(O)O)OC=O; CCCCC(=O)OC[C@H](CO[P](O)(O
    )=O)OC=O    		 (R)-2-(FORMYLOXY)-3-(PHOSPHONOOXY)PROPYL PENTANOATE;
    PHOSPHATIDIC ACID
    32886 PA7
    CHEMBL1235128    		 4 C13 H18 N6 O4 InChI=1S/C13H18N6O4/c1-2-
    3-15-12(22)9-7(20)8(21)13
    (23-9)19-5-18-6-10(14)16-
    4-17-11(6)19/h4-5,7-9,13,
    20-21H,2-3H2,1H3,(H,15,22
    )(H2,14,16,17)/t7-,8+,9-,
    13+/m0/s1;
    UQGKLARJCHZHSS-QRIDJOKKSA-N    		 CCCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2
    cnc3c2ncnc3N)O)O; CCCNC(=O)C1C(C(C(O1)n2
    cnc3c2ncnc3N)O)O; CCCNC(=O)[C@H]1O[C@H](
    [C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23; O=C(N
    CCC)C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCCNC
    (=O)[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)n
    cnc23    		 N-PROPYL CARBOXYAMIDO ADENOSINE
    32887 PA8 0 C19 H36 O8 P InChI=1S/C19H37O8P/c1-3-5
    -7-9-11-13-18(20)25-15-17
    (16-26-28(22,23)24)27-19(
    21)14-12-10-8-6-4-2/h17H,
    3-16H2,1-2H3,(H2,22,23,24
    )/p-1/t17-/m1/s1;
    XYSBQYUENLDGMI-QGZVFWFLSA-M    		 CCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)[O-])O
    C(=O)CCCCCCC; CCCCCCCC(=O)OC[CH](CO[P](O
    )([O-])=O)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[
    C@H](CO[P](O)([O-])=O)OC(=O)CCCCCCC; CCC
    CCCCC(=O)OCC(COP(=O)(O)[O-])OC(=O)CCCCCC
    C; O=P([O-])(O)OCC(OC(=O)CCCCCCC)COC(=O)
    CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE
    32888 PA9
    ZINC000058638599    		 4 C9 H17 N2 O7 P InChI=1S/C9H17N2O7P/c1-6(
    12)11-7(9(14)15)3-2-4-10-
    8(13)5-19(16,17)18/h7H,2-
    5H2,1H3,(H,10,13)(H,11,12
    )(H,14,15)(H2,16,17,18)/t
    7-/m0/s1;
    KUGZSRGMHASJIM-ZETCQYMHSA-N    		 CC(=O)NC(CCCNC(=O)CP(=O)(O)O)C(=O)O; O=C
    (NCCCC(C(=O)O)NC(=O)C)CP(=O)(O)O; CC(=O)
    N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O; CC(=
    O)N[C@@H](CCCNC(=O)C[P](O)(O)=O)C(O)=O;
    CC(=O)N[C@@H](CCCNC(=O)CP(=O)(O)O)C(=O)O    		 N~2~-acetyl-N~5~-(phosphonoacetyl)-L-ornithine
    32889 PAB
    CHEMBL542
    DB02362
    ZINC000000000920    		 61 C7 H7 N O2 InChI=1S/C7H7NO2/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4H,8H2
    ,(H,9,10);
    ALYNCZNDIQEVRV-UHFFFAOYSA-N    		 Nc1ccc(cc1)C(O)=O; O=C(O)c1ccc(N)cc1; c1
    cc(ccc1C(=O)O)N    		 4-AMINOBENZOIC ACID
    32890 PAC
    CHEMBL1044
    DB09269
    ZINC000000388462    		 12 C8 H8 O2 InChI=1S/C8H8O2/c9-8(10)6
    -7-4-2-1-3-5-7/h1-5H,6H2,
    (H,9,10);
    WLJVXDMOQOGPHL-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)O; OC(=O)Cc1ccccc1; O=C(
    O)Cc1ccccc1    		 2-PHENYLACETIC ACID
    32891 PAD
    CHEMBL1235132
    DB04071
    ZINC000049771447    		 3 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-18-12-20(25-6-24-18)28(
    7-26-12)21-16(32)14(30)11
    (41-21)5-39-44(36,37)42-4
    3(34,35)38-4-10-13(29)15(
    31)17(40-10)8-2-1-3-9(27-
    8)19(23)33/h1-3,6-7,10-11
    ,13-17,21,29-32H,4-5H2,(H
    2,23,33)(H,34,35)(H,36,37
    )(H2,22,24,25)/t10-,11-,1
    3-,14-,15-,16-,17+,21-/m1
    /s1;
    LFERELMXERXKKQ-KMXXXSRASA-N    		 NC(=O)c1cccc([nH+]1)[CH]2O[CH](CO[P]([O-
    ])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH
    ]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=
    O)c1cccc([nH+]1)[C@@H]2O[C@H](CO[P]([O-]
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2
    O; c1cc([nH+]c(c1)C(=O)N)C2C(C(C(O2)COP(
    =O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4n
    cnc5N)O)O)O)O; c1cc([nH+]c(c1)C(=O)N)[C@
    H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])O
    [P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](
    O3)n4cnc5c4ncnc5N)O)O)O)O    		 5-BETA-D-RIBOFURANOSYLPICOLINAMIDE ADENINE-DINUCLEOTIDE;
    CPAD
    32892 PAE
    CHEMBL50300
    DB02823
    ZINC000003869741    		 92 C2 H5 O5 P InChI=1S/C2H5O5P/c3-2(4)1
    -8(5,6)7/h1H2,(H,3,4)(H2,
    5,6,7);
    XUYJLQHKOGNDPB-UHFFFAOYSA-N    		 C(C(=O)O)P(=O)(O)O; O=C(O)CP(=O)(O)O; OC
    (=O)C[P](O)(O)=O    		 PHOSPHONOACETIC ACID
    32893 PAF
    DB01930    		 20 C6 H11 O4 InChI=1S/C6H12O4/c1-6(2,3
    -7)4(8)5(9)10/h4,7-8H,3H2
    ,1-2H3,(H,9,10)/p-1/t4-/m
    0/s1;
    OTOIIPJYVQJATP-BYPYZUCNSA-M    		 CC(C)(CO)[CH](O)C([O-])=O; CC(C)(CO)C(C(
    =O)[O-])O; CC(C)(CO)[C@H](C(=O)[O-])O; C
    C(C)(CO)[C@@H](O)C([O-])=O; O=C([O-])C(O
    )C(C)(C)CO    		 PANTOATE;
    2,4-DIHYDROXY-3,3-DIMETHYL-BUTYRATE
    32894 PAG 0 C3 H7 O7 P InChI=1/C3H7O7P/c4-1-2(3(
    5)6)10-11(7,8)9/h2,4H,1H2
    ,(H,5,6)(H2,7,8,9)/t2-/m1
    /s1/f/h5,7-8H;
    GXIURPTVHJPJLF-SFISFHFCDD    		 C(C(C(=O)O)OP(=O)(O)O)O; O=P(O)(O)OC(C(=
    O)O)CO; C([C@H](C(=O)O)OP(=O)(O)O)O; OC[
    C@@H](O[P](O)(O)=O)C(O)=O; OC[CH](O[P](O
    )(O)=O)C(O)=O    		 2-PHOSPHO-D-GLYCERIC ACID
    32895 PAH
    CHEMBL328944
    DB03645
    ZINC000005828202    		 11 C2 H6 N O5 P InChI=1S/C2H6NO5P/c4-2(3-
    5)1-9(6,7)8/h5H,1H2,(H,3,
    4)(H2,6,7,8);
    LDKRAXXVBWHMRH-UHFFFAOYSA-N    		 O=C(NO)CP(=O)(O)O; ONC(=O)C[P](O)(O)=O;
    C(C(=O)NO)P(=O)(O)O    		 PHOSPHONOACETOHYDROXAMIC ACID
    32896 PAI
    DB02433
    ZINC000033821456    		 3 C9 H23 N O13 P2 InChI=1S/C9H23NO13P2/c11-
    5(1-10(2-7(13)14)4-24(17,
    18)19)8(15)9(16)6(12)3-23
    -25(20,21)22/h5-9,11-16H,
    1-4H2,(H2,17,18,19)(H2,20
    ,21,22)/t5-,6-,8-,9-/m1/s
    1;
    ATILYNKCRYHYEP-SQEXRHODSA-N    		 OC(O)CN(C[C@@H](O)[C@@H](O)[C@H](O)[C@H]
    (O)CO[P](O)(O)=O)C[P](O)(O)=O; C([C@H]([
    C@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O)O)[
    N@](CC(O)O)CP(=O)(O)O; O=P(O)(O)OCC(O)C(
    O)C(O)C(O)CN(CC(O)O)CP(=O)(O)O; C(C(C(C(
    C(COP(=O)(O)O)O)O)O)O)N(CC(O)O)CP(=O)(O)
    O; OC(O)CN(C[CH](O)[CH](O)[CH](O)[CH](O)
    CO[P](O)(O)=O)C[P](O)(O)=O    		 {[(2,2-DIHYDROXY-ETHYL)-(2,3,4,5-TETRAHYDROXY-6-PHOSPHONOOXY-HEXYL)-AMINO]-METHYL}-PHOSPHONIC ACID
    32897 PAJ
    DB02694
    ZINC000015779814    		 6 C16 H24 N5 O10 P InChI=1S/C16H24N5O10P/c1-
    16(2,4-22)11(25)15(26)31-
    32(27,28)29-3-7-9(23)10(2
    4)14(30-7)21-6-20-8-12(17
    )18-5-19-13(8)21/h5-7,9-1
    1,14,22-25H,3-4H2,1-2H3,(
    H,27,28)(H2,17,18,19)/t7-
    ,9-,10-,11+,14-/m1/s1;
    GDPVENOGSVMRJL-FSRKKXLISA-N    		 CC(C)(CO)[C@H](C(=O)O[P@](=O)(O)OC[C@@H]
    1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)
    O)O; CC(C)(CO)[CH](O)C(=O)O[P](O)(=O)OC[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23
    ; O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C
    (O)C3O)C(O)C(C)(C)CO; CC(C)(CO)[C@@H](O)
    C(=O)O[P@@](O)(=O)OC[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)n2cnc3c(N)ncnc23; CC(C)(CO)C(C
    (=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N
    )O)O)O    		 PANTOYL ADENYLATE
    32898 PAK
    CHEMBL299756
    ZINC000001863090    		 0 C17 H11 N3 O InChI=1S/C17H11N3O/c18-9-
    10-5-6-15-12(7-10)13-8-16
    (21)19-14-4-2-1-3-11(14)1
    7(13)20-15/h1-7,20H,8H2,(
    H,19,21);
    LBVIZFWUIQSZHP-UHFFFAOYSA-N    		 N#Cc4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4; O=C
    1Cc2c([nH]c3ccc(cc23)C#N)c4ccccc4N1; c1c
    cc2c(c1)-c3c(c4cc(ccc4[nH]3)C#N)CC(=O)N2    		 9-CYANO PAULLONE
    32899 PAL
    CHEMBL504802
    DB03459
    ZINC000001563934    		 94 C6 H10 N O8 P InChI=1S/C6H10NO8P/c8-4(2
    -16(13,14)15)7-3(6(11)12)
    1-5(9)10/h3H,1-2H2,(H,7,8
    )(H,9,10)(H,11,12)(H2,13,
    14,15)/t3-/m0/s1;
    ZZKNRXZVGOYGJT-VKHMYHEASA-N    		 OC(=O)C[CH](NC(=O)C[P](O)(O)=O)C(O)=O; O
    C(=O)C[C@H](NC(=O)C[P](O)(O)=O)C(O)=O; O
    =C(NC(C(=O)O)CC(=O)O)CP(=O)(O)O; C(C(C(=
    O)O)NC(=O)CP(=O)(O)O)C(=O)O; C([C@@H](C(
    =O)O)NC(=O)CP(=O)(O)O)C(=O)O    		 N-(PHOSPHONACETYL)-L-ASPARTIC ACID
    32900 PAM
    CHEMBL453509
    DB04257
    ZINC000008221009    		 24 C16 H30 O2 InChI=1S/C16H30O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16(17)18/h7-8H,2-6,9
    -15H2,1H3,(H,17,18)/b8-7-;
    SECPZKHBENQXJG-FPLPWBNLSA-N    		 CCCCCC\C=C/CCCCCCCC(=O)O; O=C(O)CCCCCCC\
    C=C/CCCCCC; CCCCCCC=CCCCCCCCC(O)=O; CCCC
    CCC=CCCCCCCCC(=O)O; CCCCCC\C=C/CCCCCCCC(
    O)=O    		 PALMITOLEIC ACID
    32901 PAN
    CHEMBL1235136
    DB02093
    ZINC000005830355    		 4 C5 H12 N O9 P InChI=1S/C5H12NO9P/c7-2(1
    -15-16(12,13)14)3(8)4(9)5
    (10)6-11/h2-4,7-9,11H,1H2
    ,(H,6,10)(H2,12,13,14)/t2
    -,3-,4+/m1/s1;
    OHQFMJPEBPCIEQ-JJYYJPOSSA-N    		 ONC(=O)[CH](O)[CH](O)[CH](O)CO[P](O)(O)=
    O; ONC(=O)[C@@H](O)[C@H](O)[C@H](O)CO[P]
    (O)(O)=O; O=P(O)(O)OCC(O)C(O)C(O)C(=O)NO
    ; C(C(C(C(C(=O)NO)O)O)O)OP(=O)(O)O; C([C
    @H]([C@H]([C@@H](C(=O)NO)O)O)O)OP(=O)(O)
    O    		 5-PHOSPHO-D-ARABINOHYDROXAMIC ACID
    32902 PAO
    CHEMBL1160567
    DB02011    		 23 C7 H15 N2 O6 P InChI=1S/C7H15N2O6P/c8-5(
    7(11)12)2-1-3-9-6(10)4-16
    (13,14)15/h5H,1-4,8H2,(H,
    9,10)(H,11,12)(H2,13,14,1
    5)/t5-/m0/s1;
    FCIHAQFHXJOLIF-YFKPBYRVSA-N    		 N[CH](CCCNC(=O)C[P](O)(O)=O)C(O)=O; C(C[
    C@@H](C(=O)O)N)CNC(=O)CP(=O)(O)O; C(CC(C
    (=O)O)N)CNC(=O)CP(=O)(O)O; N[C@@H](CCCNC
    (=O)C[P](O)(O)=O)C(O)=O; O=C(NCCCC(C(=O)
    O)N)CP(=O)(O)O    		 N-(PHOSPHONOACETYL)-L-ORNITHINE
    32903 PAP
    DB01842
    ZINC000013527438    		 19 C10 H16 N5 O13 P3 InChI=1S/C10H16N5O13P3/c1
    1-8-5-9(13-2-12-8)15(3-14
    -5)10-6(16)7(27-29(17,18)
    19)4(26-10)1-25-31(23,24)
    28-30(20,21)22/h2-4,6-7,1
    0,16H,1H2,(H,23,24)(H2,11
    ,12,13)(H2,17,18,19)(H2,2
    0,21,22)/t4-,6-,7-,10-/m1
    /s1;
    GBBWIZKLHXYJOA-KQYNXXCUSA-N    		 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)
    N)C(O)C3OP(=O)(O)O; Nc1ncnc2n(cnc12)[CH]
    3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O[P
    ](O)(O)=O)[CH]3O; c1nc(c2c(n1)n(cn2)C3C(
    C(C(O3)COP(=O)(O)OP(=O)(O)O)OP(=O)(O)O)O
    )N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H
    ]([C@H](O3)CO[P@@](=O)(O)OP(=O)(O)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](O[P](
    O)(O)=O)[C@H]3O    		 3'-PHOSPHATE-ADENOSINE-5'-DIPHOSPHATE
    32904 PAQ
    DB01634
    ZINC000006080317    		 0 C14 H16 N4 O4 InChI=1S/C14H16N4O4/c15-9
    (14(21)22)5-8-6-10(12(20)
    7-11(8)19)17-18-13-3-1-2-
    4-16-13/h1-4,6-9,17,20H,5
    ,15H2,(H,16,18)(H,21,22)/
    t8-,9+/m1/s1;
    AZUQIXJQZOMXAS-BDAKNGLRSA-N    		 c1ccnc(c1)NNC2=CC(C(=O)C=C2O)CC(C(=O)O)N
    ; N[CH](C[CH]1C=C(NNc2ccccn2)C(=CC1=O)O)
    C(O)=O; N[C@@H](C[C@@H]1C=C(NNc2ccccn2)C
    (=CC1=O)O)C(O)=O; c1ccnc(c1)NNC2=CC(C(=O
    )C=C2O)C[C@@H](C(=O)O)N; O=C(O)C(N)CC2C=
    C(NNc1ncccc1)C(O)=CC2=O    		 2-OXY-4-HYDROXY-5-(2-HYDRAZINOPYRIDINE)PHENYLALANINE
    32905 PAR
    CHEMBL370143
    DB01421
    ZINC000060183170    		 36 C23 H45 N5 O14 InChI=1S/C23H45N5O14/c24-
    2-7-13(32)15(34)10(27)21(
    37-7)41-19-9(4-30)39-23(1
    7(19)36)42-20-12(31)5(25)
    1-6(26)18(20)40-22-11(28)
    16(35)14(33)8(3-29)38-22/
    h5-23,29-36H,1-4,24-28H2/
    t5-,6+,7+,8-,9-,10-,11-,1
    2+,13-,14-,15-,16-,17-,18
    -,19-,20-,21-,22-,23+/m1/
    s1;
    UOZODPSAJZTQNH-LSWIJEOBSA-N    		 C1[C@H]([C@@H]([C@H]([C@@H]([C@H]1N)O[C@
    @H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)
    N)O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[C@@
    H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O)O)
    N)O)O)N; NC[CH]1O[CH](O[CH]2[CH](O)[CH](
    O[CH]2CO)O[CH]3[CH](O)[CH](N)C[CH](N)[CH
    ]3O[CH]4O[CH](CO)[CH](O)[CH](O)[CH]4N)[C
    H](N)[CH](O)[CH]1O; C1C(C(C(C(C1N)OC2C(C
    (C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C
    (C(O4)CN)O)O)N)O)O)N; NC[C@@H]1O[C@H](O[
    C@H]2[C@@H](O)[C@@H](O[C@@H]2CO)O[C@@H]3
    [C@@H](O)[C@H](N)C[C@H](N)[C@H]3O[C@H]4O
    [C@H](CO)[C@@H](O)[C@H](O)[C@H]4N)[C@H](
    N)[C@@H](O)[C@@H]1O; O(C2C(OC1OC(CO)C(O)
    C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O
    )C(O)C3N)C4O)CO    		 PAROMOMYCIN;
    PAROMOMYCIN I;
    AMMINOSIDIN;
    CATENULIN;
    CRESTOMYCIN;
    MONOMYCIN A;
    NEOMYCIN E
    32906 PAS 0 C4 H8 N O7 P InChI=1/C4H8NO7P/c5-2(4(7
    )8)1-3(6)12-13(9,10)11/h2
    H,1,5H2,(H,7,8)(H2,9,10,1
    1)/t2-/m0/s1/f/h7,9-10H;
    IXZNKTPIYKDIGG-ANURBJKSDQ    		 C(C(C(=O)O)N)C(=O)OP(=O)(O)O; N[CH](CC(=
    O)O[P](O)(O)=O)C(O)=O; O=C(OP(=O)(O)O)CC
    (C(=O)O)N; N[C@@H](CC(=O)O[P](O)(O)=O)C(
    O)=O; C([C@@H](C(=O)O)N)C(=O)OP(=O)(O)O    		 2-AMINO-4-OXO-4-PHOSPHONOOXY-BUTYRIC ACID;
    PHOSPHORYLATED ASPARTATE
    32907 PAT 0 C11 H13 N2 O5 P InChI=1S/C11H13N2O5P/c12-
    11(10(14)15,19(16,17)18)5
    -7-6-13-9-4-2-1-3-8(7)9/h
    1-4,6,13H,5,12H2,(H,14,15
    )(H2,16,17,18);
    QNAXJEGUCRQKDR-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)(N)P(=O)(O
    )O; O=C(O)C(N)(P(=O)(O)O)Cc2c1ccccc1nc2;
    N[C](Cc1c[nH]c2ccccc12)(C(O)=O)[P](O)(O
    )=O; N[C@@](Cc1c[nH]c2ccccc12)(C(O)=O)[P
    ](O)(O)=O; c1ccc2c(c1)c(c[nH]2)C[C@@](C(
    =O)O)(N)P(=O)(O)O    		 ALPHA-PHOSPHONO-TRYPTOPHAN
    32908 PAU
    CHEMBL1594
    DB01783
    ZINC000005356910    		 49 C9 H17 N O5 InChI=1S/C9H17NO5/c1-9(2,
    5-11)7(14)8(15)10-4-3-6(1
    2)13/h7,11,14H,3-5H2,1-2H
    3,(H,10,15)(H,12,13)/t7-/
    m0/s1;
    GHOKWGTUZJEAQD-ZETCQYMHSA-N    		 CC(C)(CO)C(C(=O)NCCC(=O)O)O; CC(C)(CO)[C
    H](O)C(=O)NCCC(O)=O; CC(C)(CO)[C@@H](O)C
    (=O)NCCC(O)=O; CC(C)(CO)[C@H](C(=O)NCCC(
    =O)O)O; O=C(NCCC(=O)O)C(O)C(C)(C)CO    		 PANTOTHENOIC ACID;
    N-[(2R)-2,4-DIHYDROXY-3,3-DIMETHYLBUTANOYL]-BETA-ALANINE
    32909 PAV
    CHEMBL1235140
    DB04346    		 10 C5 H10 O5 InChI=1S/C5H10O5/c1-4(7)5
    (8,9)3(6)2-10-4/h3,6-9H,2
    H2,1H3/t3-,4+/m0/s1;
    BVIYGXUQVXBHQS-IUYQGCFVSA-N    		 C[C@@]1(C([C@H](CO1)O)(O)O)O; C[C]1(O)OC
    [CH](O)C1(O)O; C[C@@]1(O)OC[C@H](O)C1(O)
    O; OC1(O)C(O)(OCC1O)C; CC1(C(C(CO1)O)(O)
    O)O    		 (2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
    32910 PAW
    CHEMBL138297
    ZINC000019363537    		 0 C8 H23 N5 InChI=1S/C8H23N5/c9-1-3-1
    1-5-7-13-8-6-12-4-2-10/h1
    1-13H,1-10H2;
    FAGUFWYHJQFNRV-UHFFFAOYSA-N    		 C(CNCCNCCNCCN)N; NCCNCCNCCNCCN N-(2-AMINOETHYL)-N'-{2-[(2-AMINOETHYL)AMINO]ETHYL}ETHANE-1,2-DIAMINE;
    N1-{2-[2-(2-AMINO-ETHYLAMINO)-ETHYLAMINO]-ETHYL}-ETHANE-1,2-DIAMINE
    32911 PAX 2 C20 H27 N7 O20 P4 InChI=1S/C20H29N7O20P4/c1
    -8-3-26(20(30)25-18(8)29)
    12-2-9(10(43-12)4-41-48(3
    1,32)33)45-51(39,40)47-50
    (37,38)42-5-11-15(46-49(3
    4,35)36)14(28)19(44-11)27
    -7-24-13-16(21)22-6-23-17
    (13)27/h3,6-7,9-12,14-15,
    19,28H,2,4-5H2,1H3,(H,37,
    38)(H,39,40)(H2,21,22,23)
    (H,25,29,30)(H2,31,32,33)
    (H2,34,35,36)/p-2/t9-,10+
    ,11+,12+,14+,15+,19+/m0/s
    1;
    DQGQNMNTNSHMMC-SLFMBYJQSA-L    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)
    OP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)n4c
    nc5c4ncnc5N)O)OP(=O)(O)O; CC1=CN([CH]2C[
    CH](O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O
    [CH]([CH](O)[CH]3O[P](O)(O)=O)n4cnc5c(N)
    ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC1=O;
    CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O
    2)COP(=O)(O)O)O[P@@](=O)([O-])O[P@@](=O)
    ([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)OP(=O)(O)O; CC1=CN([C@H]2C
    [C@H](O[P]([O-])(=O)O[P]([O-])(=O)OC[C@H
    ]3O[C@H]([C@H](O)[C@@H]3O[P](O)(O)=O)n4c
    nc5c(N)ncnc45)[C@@H](CO[P](O)(O)=O)O2)C(
    =O)NC1=O    		 5'-PHOSPHOTHYMIDINE (3'-5')-PYROPHOSPHATE ADENOSINE 3'-PHOSPHATE
    32912 PAY
    DB08368
    ZINC000016052584    		 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+/m0/s1;
    UEYGDIASMOPQFG-XLPZGREQSA-N    		 CC(CC(CC(CCC(=O)O)C(=O)O)C(=O)O)C(=O)O;
    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; O=C(O)C(C)CC(C(=O
    )O)CC(C(=O)O)CCC(=O)O; C[C@@H](C[C@H](C[
    C@@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O)O    		 OCTANE-1,3,5,7-TETRACARBOXYLIC ACID;
    (3R,5R,7S)-OCTANE-1,3,5,7-TETRACARBOXYLIC ACID
    32913 PAZ
    DB16966
    ZINC000001529671    		 17 C9 H18 N O8 P InChI=1S/C9H18NO8P/c1-9(2
    ,5-18-19(15,16)17)7(13)8(
    14)10-4-3-6(11)12/h7,13H,
    3-5H2,1-2H3,(H,10,14)(H,1
    1,12)(H2,15,16,17)/t7-/m0
    /s1;
    XHFVGHPGDLDEQO-ZETCQYMHSA-N    		 CC(C)(COP(=O)(O)O)[C@H](C(=O)NCCC(=O)O)O
    ; CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)O)O;
    CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCC(O)=
    O; O=P(OCC(C(O)C(=O)NCCC(=O)O)(C)C)(O)O;
    CC(C)(CO[P](O)(O)=O)[C@@H](O)C(=O)NCCC(
    O)=O    		 N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanine
    32914 PB 35 Pb InChI=1S/Pb/q+2;
    RVPVRDXYQKGNMQ-UHFFFAOYSA-N    		 [Pb++]; valence; [Pb+2] LEAD (II) ION
    32915 PB0
    CHEMBL1915990
    ZINC000082140785    		 4 C36 H50 F2 N4 O5 InChI=1S/C36H50F2N4O5/c1-
    5-15-47-29-20-30(39-22-29
    )33(44)31(18-26-16-27(37)
    19-28(38)17-26)40-34(45)3
    2(12-11-25-9-7-6-8-10-25)
    42-14-13-36(35(42)46,21-2
    3(2)3)41-24(4)43/h6-10,16
    -17,19,23,29-33,39,44H,5,
    11-15,18,20-22H2,1-4H3,(H
    ,40,45)(H,41,43)/t29-,30-
    ,31+,32+,33-,36+/m1/s1;
    LPZOLMFQGUDKQH-ZXWXCOCLSA-N    		 CCCO[C@@H]1C[C@@H](NC1)[C@H]([C@H](Cc2cc
    (cc(c2)F)F)NC(=O)[C@H](CCc3ccccc3)N4CC[C
    @@](C4=O)(CC(C)C)NC(=O)C)O; Fc1cc(cc(F)c
    1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C)
    C)CCc3ccccc3)C(O)C4NCC(OCCC)C4; CCCO[C@H
    ]1CN[C@H](C1)[C@@H](O)[C@H](Cc2cc(F)cc(F
    )c2)NC(=O)[C@H](CCc3ccccc3)N4CC[C@@](CC(
    C)C)(NC(C)=O)C4=O; CCCOC1CC(NC1)C(C(Cc2c
    c(cc(c2)F)F)NC(=O)C(CCc3ccccc3)N4CCC(C4=
    O)(CC(C)C)NC(=O)C)O; CCCO[CH]1CN[CH](C1)
    [CH](O)[CH](Cc2cc(F)cc(F)c2)NC(=O)[CH](C
    Cc3ccccc3)N4CC[C](CC(C)C)(NC(C)=O)C4=O    		 (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(2R,4R)-4-propoxypyrrolidin-2-yl]propan-2-yl}-4-phenylbutanamide
    32916 PB1
    DB02878
    ZINC000012502763    		 1 C10 H20 N2 O4 InChI=1S/C10H20N2O4/c11-4
    -3-7(5-10(15)16)8(6-12)1-
    2-9(13)14/h7-8H,1-6,11-12
    H2,(H,13,14)(H,15,16)/t7-
    ,8-/m1/s1;
    QMRGRIXXWLVLTR-HTQZYQBOSA-N    		 NCC[CH](CC(O)=O)[CH](CN)CCC(O)=O; NCC[C@
    H](CC(O)=O)[C@@H](CN)CCC(O)=O; C(CC(=O)O
    )C(CN)C(CCN)CC(=O)O; O=C(O)CCC(CN)C(CCN)
    CC(=O)O; C(CC(=O)O)[C@H](CN)[C@H](CCN)CC
    (=O)O    		 3-(2-AMINOETHYL)-4-(AMINOMETHYL)HEPTANEDIOIC ACID
    32917 PB2
    CHEMBL1235146
    DB08369
    ZINC000053683112    		 22 C16 H14 N2 InChI=1S/C16H14N2/c1-2-4-
    15(5-3-1)16-8-6-14(7-9-16
    )12-18-11-10-17-13-18/h1-
    11,13H,12H2;
    DLYMRVCQTVOYEW-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2)Cn3ccnc3; n1ccn(c1)C
    c3ccc(c2ccccc2)cc3; C(n1ccnc1)c2ccc(cc2)
    c3ccccc3    		 1-(biphenyl-4-ylmethyl)-1H-imidazole
    32918 PB3
    CHEMBL511942
    DB04759    		 2 C22 H22 N4 O2 InChI=1S/C22H22N4O2/c1-15
    -5-3-7-17(9-15)12-23-21(2
    7)19-11-20(26-14-25-19)22
    (28)24-13-18-8-4-6-16(2)1
    0-18/h3-11,14H,12-13H2,1-
    2H3,(H,23,27)(H,24,28);
    GTBUZLPQANSGGE-UHFFFAOYSA-N    		 O=C(c2ncnc(C(=O)NCc1cccc(c1)C)c2)NCc3ccc
    c(c3)C; Cc1cccc(CNC(=O)c2cc(ncn2)C(=O)NC
    c3cccc(C)c3)c1; Cc1cccc(c1)CNC(=O)c2cc(n
    cn2)C(=O)NCc3cccc(c3)C    		 N,N'-BIS(3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(3-METHYL-BENZYLAMIDE)
    32919 PB4
    CHEMBL514794
    DB04760
    ZINC000012504498    		 2 C22 H20 F2 N4 O2 InChI=1S/C22H20F2N4O2/c1-
    13-7-15(3-5-17(13)23)10-2
    5-21(29)19-9-20(28-12-27-
    19)22(30)26-11-16-4-6-18(
    24)14(2)8-16/h3-9,12H,10-
    11H2,1-2H3,(H,25,29)(H,26
    ,30);
    PYFRREJCFXFNRR-UHFFFAOYSA-N    		 Cc1cc(CNC(=O)c2cc(ncn2)C(=O)NCc3ccc(F)c(
    C)c3)ccc1F; Cc1cc(ccc1F)CNC(=O)c2cc(ncn2
    )C(=O)NCc3ccc(c(c3)C)F; O=C(c2ncnc(C(=O)
    NCc1ccc(F)c(c1)C)c2)NCc3ccc(F)c(c3)C    		 N,N'-BIS(4-FLUORO-3-METHYLBENZYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-(4-FLUORO-3-METHYL-BENZYLAMIDE)
    32920 PB5
    CHEMBL468900
    DB04761
    ZINC000012504499    		 2 C18 H16 N6 O2 InChI=1S/C18H16N6O2/c25-1
    7(21-10-13-3-1-5-19-8-13)
    15-7-16(24-12-23-15)18(26
    )22-11-14-4-2-6-20-9-14/h
    1-9,12H,10-11H2,(H,21,25)
    (H,22,26);
    NHPBWKYFMTXWAA-UHFFFAOYSA-N    		 O=C(c2ncnc(C(=O)NCc1cccnc1)c2)NCc3cccnc3
    ; c1cc(cnc1)CNC(=O)c2cc(ncn2)C(=O)NCc3cc
    cnc3; O=C(NCc1cccnc1)c2cc(ncn2)C(=O)NCc3
    cccnc3    		 N,N'-BIS(PYRIDIN-3-YLMETHYL)PYRIMIDINE-4,6-DICARBOXAMIDE;
    PYRIMIDINE-4,6-DICARBOXYLIC ACID BIS-[(PYRIDIN-3-YLMETHYL)-AMIDE]
    32921 PB6
    ZINC000058633288    		 1 C11 H18 N O6 P2 InChI=1S/C11H17NO6P2/c1-2
    -3-5-10-6-4-7-12(8-10)9-1
    1(19(13,14)15)20(16,17)18
    /h3-8,11H,2,9H2,1H3,(H3-,
    13,14,15,16,17,18)/p+1/b5
    -3+;
    QYIWBGUVYSKCTG-HWKANZROSA-O    		 CCC=Cc1ccc[n+](c1)CC(P(=O)(O)O)P(=O)(O)O
    ; O=P(O)(O)C(P(=O)(O)O)C[n+]1cccc(/C=C/C
    C)c1; CC/C=C/c1ccc[n+](c1)CC(P(=O)(O)O)P
    (=O)(O)O; CC/C=C/c1ccc[n+](CC([P](O)(O)=
    O)[P](O)(O)=O)c1; CCC=Cc1ccc[n+](CC([P](
    O)(O)=O)[P](O)(O)=O)c1    		 3-[(1E)-but-1-en-1-yl]-1-(2,2-diphosphonoethyl)pyridinium
    32922 PB7
    ZINC000073161310    		 2 C38 H50 N4 O5 InChI=1S/C38H50N4O5/c1-5-
    27(2)38(41-28(3)43)21-22-
    42(37(38)46)34(20-19-29-1
    3-8-6-9-14-29)36(45)40-33
    (24-30-15-10-7-11-16-30)3
    5(44)26-39-25-31-17-12-18
    -32(23-31)47-4/h6-18,23,2
    7,33-35,39,44H,5,19-22,24
    -26H2,1-4H3,(H,40,45)(H,4
    1,43)/t27-,33-,34-,35+,38
    -/m0/s1;
    SMPAHDBHYSCFQF-SXXDCNOLSA-N    		 CC[CH](C)[C]1(CCN([CH](CCc2ccccc2)C(=O)N
    [CH](Cc3ccccc3)[CH](O)CNCc4cccc(OC)c4)C1
    =O)NC(C)=O; O=C(NC(Cc1ccccc1)C(O)CNCc2cc
    cc(OC)c2)C(N3C(=O)C(NC(=O)C)(CC3)C(C)CC)
    CCc4ccccc4; CC[C@H](C)[C@]1(CCN([C@@H](C
    Cc2ccccc2)C(=O)N[C@@H](Cc3ccccc3)[C@H](O
    )CNCc4cccc(OC)c4)C1=O)NC(C)=O; CC[C@H](C
    )[C@]1(CCN(C1=O)[C@@H](CCc2ccccc2)C(=O)N
    [C@@H](Cc3ccccc3)[C@@H](CNCc4cccc(c4)OC)
    O)NC(=O)C; CCC(C)C1(CCN(C1=O)C(CCc2ccccc
    2)C(=O)NC(Cc3ccccc3)C(CNCc4cccc(c4)OC)O)
    NC(=O)C    		 (2S)-2-{(3S)-3-(acetylamino)-3-[(2S)-butan-2-yl]-2-oxopyrrolidin-1-yl}-N-{(2S,3R)-3-hydroxy-4-[(3-methoxybenzyl)amino]-1-phenylbutan-2-yl}-4-phenylbutanamide
    32923 PB8
    CHEMBL1915985
    ZINC000082136664    		 4 C38 H46 F2 N4 O4 InChI=1S/C38H46F2N4O4/c1-
    24(2)22-38(43-25(3)45)15-
    16-44(37(38)48)34(14-13-2
    6-9-5-4-6-10-26)36(47)42-
    33(19-27-17-30(39)21-31(4
    0)18-27)35(46)32-20-28-11
    -7-8-12-29(28)23-41-32/h4
    -12,17-18,21,24,32-35,41,
    46H,13-16,19-20,22-23H2,1
    -3H3,(H,42,47)(H,43,45)/t
    32-,33+,34+,35-,38+/m1/s1;
    JJJDOYFRIVNWHV-WUCUQKTKSA-N    		 CC(C)C[C@]1(CCN([C@@H](CCc2ccccc2)C(=O)N
    [C@@H](Cc3cc(F)cc(F)c3)[C@H](O)[C@H]4Cc5
    ccccc5CN4)C1=O)NC(C)=O; CC(C)C[C@]1(CCN(
    C1=O)[C@@H](CCc2ccccc2)C(=O)N[C@@H](Cc3c
    c(cc(c3)F)F)[C@@H]([C@H]4Cc5ccccc5CN4)O)
    NC(=O)C; CC(C)CC1(CCN(C1=O)C(CCc2ccccc2)
    C(=O)NC(Cc3cc(cc(c3)F)F)C(C4Cc5ccccc5CN4
    )O)NC(=O)C; CC(C)C[C]1(CCN([CH](CCc2cccc
    c2)C(=O)N[CH](Cc3cc(F)cc(F)c3)[CH](O)[CH
    ]4Cc5ccccc5CN4)C1=O)NC(C)=O; Fc1cc(cc(F)
    c1)CC(NC(=O)C(N2C(=O)C(NC(=O)C)(CC2)CC(C
    )C)CCc3ccccc3)C(O)C5NCc4ccccc4C5    		 (2S)-2-[(3R)-3-(acetylamino)-3-(2-methylpropyl)-2-oxopyrrolidin-1-yl]-N-{(1R,2S)-3-(3,5-difluorophenyl)-1-hydroxy-1-[(3R)-1,2,3,4-tetrahydroisoquinolin-3-yl]propan-2-yl}-4-phenylbutanamide
    32924 PB9
    ZINC000016052492    		 1 C28 H33 N7 O4 S InChI=1S/C28H33N7O4S/c1-3
    2-20-30-16-25(32)19-34-18
    -24(14-23-13-22(15-29)6-7
    -26(23)34)35(40(37,38)27-
    5-3-4-10-31-27)17-21-8-11
    -33(12-9-21)28(36)39-2/h3
    -7,10,13,16,20-21,24H,8-9
    ,11-12,14,17-19H2,1-2H3/t
    24-/m0/s1;
    BRIVIXLMMUIBJY-DEOSSOPVSA-N    		 COC(=O)N1CCC(CC1)CN([C@@H]2CN(Cc3cncn3C)
    c4ccc(cc4C2)C#N)[S](=O)(=O)c5ccccn5; O=C
    (OC)N1CCC(CC1)CN(C3Cc2c(ccc(C#N)c2)N(C3)
    Cc4cncn4C)S(=O)(=O)c5ncccc5; COC(=O)N1CC
    C(CC1)CN([CH]2CN(Cc3cncn3C)c4ccc(cc4C2)C
    #N)[S](=O)(=O)c5ccccn5; Cn1cncc1CN2CC(Cc
    3c2ccc(c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)
    (=O)c5ccccn5; Cn1cncc1CN2C[C@H](Cc3c2ccc
    (c3)C#N)N(CC4CCN(CC4)C(=O)OC)S(=O)(=O)c5
    ccccn5    		 methyl 4-{[{(3S)-6-cyano-1-[(1-methyl-1H-imidazol-5-yl)methyl]-1,2,3,4-tetrahydroquinolin-3-yl}(pyridin-2-ylsulfonyl)amino]methyl}piperidine-1-carboxylate
    32925 PBA
    CHEMBL20461
    DB01963
    ZINC000169745352    		 2 C8 H11 B O2 InChI=1S/C8H11BO2/c10-9(1
    1)7-6-8-4-2-1-3-5-8/h1-5,
    10-11H,6-7H2;
    VPRUMANMDWQMNF-UHFFFAOYSA-N    		 OB(O)CCc1ccccc1; B(CCc1ccccc1)(O)O PHENYLETHANE BORONIC ACID
    32926 PBB
    DB08370    		 0 C10 H12 Br N O2 S InChI=1S/C10H12BrNO2S/c11
    -8-3-1-7(2-4-8)5-15-6-9(1
    2)10(13)14/h1-4,9H,5-6,12
    H2,(H,13,14)/t9-/m0/s1;
    QZGWXEMBSFZEBK-VIFPVBQESA-N    		 c1cc(ccc1CSCC(C(=O)O)N)Br; c1cc(ccc1CSC[
    C@@H](C(=O)O)N)Br; N[CH](CSCc1ccc(Br)cc1
    )C(O)=O; N[C@@H](CSCc1ccc(Br)cc1)C(O)=O;
    Brc1ccc(cc1)CSCC(C(=O)O)N    		 S-(4-BROMOBENZYL)CYSTEINE
    32927 PBC
    CHEMBL21485
    DB01795
    ZINC000169743014    		 14 C6 H7 B O2 InChI=1S/C6H7BO2/c8-7(9)6
    -4-2-1-3-5-6/h1-5,8-9H;
    HXITXNWTGFUOAU-UHFFFAOYSA-N    		 B(c1ccccc1)(O)O; OB(O)c1ccccc1 PHENYL BORONIC ACID
    32928 PBD
    CHEMBL201747
    ZINC000013679617    		 21 C15 H20 N4 O2 S InChI=1S/C15H20N4O2S/c1-2
    0-13-5-4-12(10-14(13)21-2
    )18-15(22)17-6-3-8-19-9-7
    -16-11-19/h4-5,7,9-11H,3,
    6,8H2,1-2H3,(H2,17,18,22);
    FZQXMGLQANXZRP-UHFFFAOYSA-N    		 COc1ccc(NC(=S)NCCCn2ccnc2)cc1OC; S=C(NCC
    Cn1ccnc1)Nc2ccc(OC)c(OC)c2; COc1ccc(cc1O
    C)NC(=S)NCCCn2ccnc2    		 1-(3,4-dimethoxyphenyl)-3-[3-(1H-imidazol-1-yl)propyl]thiourea
    32929 PBE
    ZINC000002528042    		 8 C7 H14 N O2 InChI=1S/C7H13NO2/c1-8(2)
    5-3-4-6(8)7(9)10/h6H,3-5H
    2,1-2H3/p+1/t6-/m0/s1;
    CMUNUTVVOOHQPW-LURJTMIESA-O    		 C[N+]1(CCCC1C(=O)O)C; O=C(O)C1[N+](C)(C)
    CCC1; C[N+]1(C)CCC[C@H]1C(O)=O; C[N+]1(C
    CC[C@H]1C(=O)O)C; C[N+]1(C)CCC[CH]1C(O)=
    O    		 1,1-DIMETHYL-PROLINIUM;
    PROLINE BETAINE
    32930 PBF
    DB08371
    ZINC000002561082    		 1 C16 H15 N O3 InChI=1S/C16H15NO3/c17-14
    (16(19)20)10-11-6-8-13(9-
    7-11)15(18)12-4-2-1-3-5-1
    2/h1-9,14H,10,17H2,(H,19,
    20)/t14-/m0/s1;
    TVIDEEHSOPHZBR-AWEZNQCLSA-N    		 c1ccc(cc1)C(=O)c2ccc(cc2)C[C@@H](C(=O)O)
    N; N[C@@H](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)
    =O; O=C(O)C(N)Cc1ccc(cc1)C(=O)c2ccccc2;
    c1ccc(cc1)C(=O)c2ccc(cc2)CC(C(=O)O)N; N[
    CH](Cc1ccc(cc1)C(=O)c2ccccc2)C(O)=O    		 PARA-(BENZOYL)-PHENYLALANINE
    32931 PBG
    CHEMBL1235151
    DB02272
    ZINC000000056609    		 11 C10 H14 N2 O4 InChI=1S/C10H14N2O4/c11-4
    -8-7(3-10(15)16)6(5-12-8)
    1-2-9(13)14/h5,12H,1-4,11
    H2,(H,13,14)(H,15,16);
    QSHWIQZFGQKFMA-UHFFFAOYSA-N    		 c1c(c(c([nH]1)CN)CC(=O)O)CCC(=O)O; O=C(O
    )CCc1c(c(nc1)CN)CC(=O)O; NCc1[nH]cc(CCC(
    O)=O)c1CC(O)=O    		 3-[5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROL-3-YL]PROPANOIC ACID;
    2-AMINOMETHYLPYRROL-3-ACETIC ACID 4-PROPIONIC ACID;
    PORPHOBILINOGEN;
    5-(AMINOMETHYL)-4-(CARBOXYMETHYL)-1H-PYRROLE-3-PROPANOIC ACID
    32932 PBH
    ZINC000058638368    		 0 C34 H40 N6 O4 InChI=1S/C34H40N6O4/c1-38
    -13-15-39(16-14-38)24-8-1
    1-28-30(19-24)37-33(36-28
    )23-6-9-26(10-7-23)43-17-
    4-18-44-32-21-29-27(20-31
    (32)42-2)34(41)40-12-3-5-
    25(40)22-35-29/h6-11,19-2
    1,25,35H,3-5,12-18,22H2,1
    -2H3,(H,36,37)/t25-/m0/s1;
    FHYBNKKZFOFFND-VWLOTQADSA-N    		 COc1cc2C(=O)N3CCC[CH]3CNc2cc1OCCCOc4ccc(
    cc4)c5[nH]c6cc(ccc6n5)N7CCN(C)CC7; COc1c
    c2C(=O)N3CCC[C@H]3CNc2cc1OCCCOc4ccc(cc4)
    c5[nH]c6cc(ccc6n5)N7CCN(C)CC7; CN1CCN(CC
    1)c2ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5c
    c6c(cc5OC)C(=O)N7CCCC7CN6; CN1CCN(CC1)c2
    ccc3c(c2)[nH]c(n3)c4ccc(cc4)OCCCOc5cc6c(
    cc5OC)C(=O)N7CCC[C@H]7CN6    		 (11aS)-7-methoxy-8-(3-{4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy}propoxy)-1,2,3,10,11,11a-hexahydro-5H-pyrrolo[2,1-c][1,4]benzodiazepin-5-one
    32933 PBI
    DB02275
    ZINC000005975835    		 0 C13 H15 N3 O3 InChI=1S/C13H15N3O3/c14-8
    -12-15-11(13(19)16(12)5-6
    -17)7-9-1-3-10(18)4-2-9/h
    1-4,6,9,11H,5,7-8,14H2/t1
    1-/m0/s1;
    MONOYMGQJZJGBR-NSHDSACASA-N    		 NCC1=N[C@@H](CC2C=CC(=O)C=C2)C(=O)N1CC=O
    ; C1=CC(=O)C=CC1CC2C(=O)N(C(=N2)CN)CC=O;
    O=C1C=CC(C=C1)CC2N=C(N(C2=O)CC=O)CN; NC
    C1=N[CH](CC2C=CC(=O)C=C2)C(=O)N1CC=O    		 [2-AMINOMETHYL-5-OXO-4-(4-OXO-CYCLOHEXA-2,5-DIENYLMETHYL)-4,5-DIHYDRO-IMIDAZOL-1-YL] -ACETALDEHYDE
    32934 PBK 0 C22 H36 N5 O8 P InChI=1S/C22H36N5O8P/c1-2
    -3-4-5-6-7-8-9-10-11-16(2
    8)35-36(31,32)33-12-15-18
    (29)19(30)22(34-15)27-14-
    26-17-20(23)24-13-25-21(1
    7)27/h13-15,18-19,22,29-3
    0H,2-12H2,1H3,(H,31,32)(H
    2,23,24,25)/t15-,18-,19-,
    22-/m1/s1;
    IKBWVSPLSBIYSK-CIVUBGFFSA-N    		 CCCCCCCCCCCC(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O)n2cnc3c(N)ncnc23; CCCCCCCC
    CCCC(=O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C
    @@H](O1)n2cnc3c2ncnc3N)O)O; P(OC(=O)CCCC
    CCCCCCC)(O)(=O)OCC3OC(n1cnc2c1ncnc2N)C(O
    )C3O; CCCCCCCCCCCC(=O)O[P](O)(=O)OC[C@H]
    1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc2
    3; CCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1
    )n2cnc3c2ncnc3N)O)O    		 5'-O-[(R)-(dodecanoyloxy)(hydroxy)phosphoryl]adenosine
    32935 PBL
    ZINC000064754859    		 0 C5 H12 O4 InChI=1S/C5H12O4/c1-4(6,7
    )3-5(2,8)9/h6-9H,3H2,1-2H
    3;
    VNRDADQWVXLHCQ-UHFFFAOYSA-N    		 CC(O)(O)CC(C)(O)O; OC(O)(C)CC(O)(O)C; CC
    (CC(C)(O)O)(O)O    		 pentane-2,2,4,4-tetrol
    32936 PBM 0 C3 H9 Pb InChI=1S/3CH3.Pb/h3*1H3;/
    q;;;+1;
    SNBFOEGVGALPSE-UHFFFAOYSA-N    		 [Pb+](C)(C)C; C[Pb+](C)C TRIMETHYL LEAD ION
    32937 PBN
    CHEMBL79512
    DB04311
    ZINC000002567989    		 2 C10 H15 N InChI=1S/C10H15N/c11-9-5-
    4-8-10-6-2-1-3-7-10/h1-3,
    6-7H,4-5,8-9,11H2;
    AGNFWIZBEATIAK-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCN; c1ccccc1CCCCN; NCCCCc1c
    cccc1    		 4-PHENYLBUTYLAMINE
    32938 PBO
    ZINC000005972858    		 1 C9 H11 N O InChI=1S/C9H11NO/c1-2-4-9
    (11)8-5-3-6-10-7-8/h3,5-7
    H,2,4H2,1H3;
    JORUAYHMUWRFNM-UHFFFAOYSA-N    		 CCCC(=O)c1cccnc1; O=C(c1cccnc1)CCC 1-PYRIDIN-3-YLBUTAN-1-ONE
    32939 PBP
    CHEMBL142826
    ZINC000000028146    		 9 C8 H6 Br2 O InChI=1S/C8H6Br2O/c9-5-8(
    11)6-1-3-7(10)4-2-6/h1-4H
    ,5H2;
    FKJSFKCZZIXQIP-UHFFFAOYSA-N    		 BrCC(=O)c1ccc(Br)cc1; c1cc(ccc1C(=O)CBr)
    Br; C(C(c1ccc(cc1)Br)=O)Br    		 p-Bromophenacyl bromide
    32940 PBQ
    CHEMBL1235156    		 2 C10 H4 Br5 N O InChI=1S/C10H4Br5NO/c11-3
    -1-4(9(17)5(12)2-3)8-6(13
    )7(14)10(15)16-8/h1-2,16-
    17H;
    LXMNWKJHYOZUQL-UHFFFAOYSA-N    		 c1c(cc(c(c1c2c(c(c([nH]2)Br)Br)Br)O)Br)B
    r; Oc1c(Br)cc(Br)cc1c2[nH]c(Br)c(Br)c2Br
    ; Brc2c(c1cc(Br)cc(Br)c1O)nc(Br)c2Br    		 PENTABROMOPSEUDILIN
    32941 PBR
    CHEMBL1235157
    DB03167
    ZINC000001687157    		 2 C6 H Br5 O InChI=1S/C6HBr5O/c7-1-2(8
    )4(10)6(12)5(11)3(1)9/h12
    H;
    SVHOVVJFOWGYJO-UHFFFAOYSA-N    		 c1(c(c(c(c(c1Br)Br)Br)Br)Br)O; Oc1c(Br)c
    (Br)c(Br)c(Br)c1Br; Brc1c(O)c(Br)c(Br)c(
    Br)c1Br    		 PENTABROMOPHENOL
    32942 PBS
    CHEMBL259100
    ZINC000043617397    		 5 C32 H63 N O9 InChI=1S/C32H63NO9/c1-3-5
    -7-9-10-11-12-13-14-15-17
    -18-20-25(35)28(37)24(33-
    27(36)21-19-16-8-6-4-2)23
    -41-32-31(40)30(39)29(38)
    26(22-34)42-32/h24-26,28-
    32,34-35,37-40H,3-23H2,1-
    2H3,(H,33,36)/t24-,25+,26
    +,28-,29-,30-,31+,32-/m0/
    s1;
    PFXOKSFCNLTBGK-YFWOXBOYSA-N    		 CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CO)O)
    O)O)NC(=O)CCCCCCC)O)O; CCCCCCCCCCCCCC[C@
    @H](O)[C@@H](O)[C@H](CO[C@H]1O[C@H](CO)[
    C@H](O)[C@H](O)[C@H]1O)NC(=O)CCCCCCC; CC
    CCCCCCCCCCCC[C@H]([C@H]([C@H](CO[C@@H]1[
    C@@H]([C@H]([C@H]([C@H](O1)CO)O)O)O)NC(=
    O)CCCCCCC)O)O; CCCCCCCCCCCCCC[CH](O)[CH]
    (O)[CH](CO[CH]1O[CH](CO)[CH](O)[CH](O)[C
    H]1O)NC(=O)CCCCCCC; O=C(NC(COC1OC(C(O)C(
    O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCC    		 (2S,3S,4R)-N-OCTANOYL-1-[(ALPHA-D-GALACTOPYRANOSYL)OXY]-2-AMINO-OCTADECANE-3,4-DIOL
    32943 PBT 0 C10 H17 N2 O8 P InChI=1S/C10H17N2O8P/c1-5
    -3-12(10(15)11-9(5)14)8-2
    -6(13)7(20-8)4-19-21(16,1
    7)18/h5-8,13H,2-4H2,1H3,(
    H,11,14,15)(H2,16,17,18)/
    t5-,6+,7-,8-/m1/s1;
    PGRQANKWVMVANW-ULAWRXDQSA-N    		 C[C@@H]1CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H
    ](O2)COP(=O)(O)O)O; CC1CN(C(=O)NC1=O)C2C
    C(C(O2)COP(=O)(O)O)O; O=C1N(CC(C(=O)N1)C
    )C2OC(C(O)C2)COP(=O)(O)O; C[C@@H]1CN([C@
    H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2)C(=O
    )NC1=O; C[CH]1CN([CH]2C[CH](O)[CH](CO[P]
    (O)(O)=O)O2)C(=O)NC1=O    		 [3-HYDROXY-5-(5-METHYL-2,4-DIOXOTETRAHYDRO-1(2H)-PYRIMIDINYL)TETRAHYDRO-2-FURANYL]METHYL DIHYDROGEN PHOSPHATE
    32944 PBU
    ZINC000058638376    		 9 C17 H33 O19 P3 InChI=1S/C17H33O19P3/c1-3
    -5-10(18)31-7-9(33-11(19)
    6-4-2)8-32-39(29,30)36-15
    -12(20)13(21)16(34-37(23,
    24)25)17(14(15)22)35-38(2
    6,27)28/h9,12-17,20-22H,3
    -8H2,1-2H3,(H,29,30)(H2,2
    3,24,25)(H2,26,27,28)/t9-
    ,12-,13+,14+,15-,16-,17-/
    m1/s1;
    DHAFWWKSHUBGAH-BXJBXBQISA-N    		 CCCC(=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)CCC; CCCC(=O)OCC(COP(=O)
    (O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)
    O)O)OC(=O)CCC; O=C(OCC(OC(=O)CCC)COP(=O)
    (O)OC1C(O)C(O)C(OP(=O)(O)O)C(OP(=O)(O)O)
    C1O)CCC; CCCC(=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
    CCC(=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)O
    P(=O)(O)O)O)O)OC(=O)CCC    		 (2R)-3-{[(R)-HYDROXY{[(1R,2R,3S,4R,5R,6S)-2,3,6-TRIHYDROXY-4,5-BIS(PHOSPHONOOXY)CYCLOHEXYL]OXY}PHOSPHORYL]OXY}PROPANE-1 ,2-DIYL DIBUTANOATE;
    di-butanoyl L-alpha-phosphatidyl-D-myo-inositol 4,5-bisphosphate;
    di-C4-PIP2
    32945 PBV
    ZINC000005197414    		 1 C7 H10 N2 InChI=1S/C7H10N2/c1-2-6-4
    -3-5-7(8)9-6/h3-5H,2H2,1H
    3,(H2,8,9);
    JXKAUUVMXZIJNZ-UHFFFAOYSA-N    		 c1(nc(N)ccc1)CC; CCc1cccc(N)n1; CCc1cccc
    (n1)N    		 6-ethylpyridin-2-amine
    32946 PBW 14 C7 H14 O6 InChI=1S/C7H14O6/c8-1-2-3
    (9)5(11)7(13)6(12)4(2)10/
    h2-13H,1H2/t2-,3-,4+,5+,6
    -,7-;
    QFYQIWDMMSKNFF-VQPJZGIOSA-N    		 C(C1C(C(C(C(C1O)O)O)O)O)O; OC[CH]1[CH](O
    )[CH](O)[CH](O)[CH](O)[CH]1O; OC[C@@H]1[
    C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
    ; C(C1[C@H]([C@@H](C(C([C@H]1O)O)O)O)O)O    		 (1~{S},4~{S},5~{R})-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
    32947 PBX
    ZINC000033861528    		 1 C6 H5 Br O3 InChI=1S/C6H5BrO3/c7-3-1-
    2-4(8)6(10)5(3)9/h1-2,8-1
    0H;
    TYRFQQZIVRBJAK-UHFFFAOYSA-N    		 Brc1ccc(O)c(O)c1O; c1cc(c(c(c1O)O)O)Br;
    Oc1ccc(Br)c(O)c1O    		 4-bromobenzene-1,2,3-triol
    32948 PBY 1 C10 H9 Cl N4 InChI=1S/C10H9ClN4/c11-7-
    2-1-3-8(4-7)15-10-5-9(12)
    13-6-14-10/h1-6H,(H3,12,1
    3,14,15);
    YEESRFWVWLZFDI-UHFFFAOYSA-N    		 c1(cc(ccc1)Cl)Nc2cc(N)ncn2; c1cc(cc(c1)C
    l)Nc2cc(ncn2)N; Nc1cc(Nc2cccc(Cl)c2)ncn1    		 N~4~-(3-chlorophenyl)pyrimidine-4,6-diamine
    32949 PBZ 31 C7 H10 N3 InChI=1S/C7H9N3/c8-6-3-1-
    5(2-4-6)7(9)10/h1-4H,8H2,
    (H3,9,10)/p+1;
    WPANETAWYGDRLL-UHFFFAOYSA-O    		 N/C(c1ccc(N)cc1)=[NH2+]; c1cc(ccc1C(=[NH
    2+])N)N; NC(=[NH2+])c1ccc(N)cc1    		 P-AMINO BENZAMIDINE
    32950 PC
    CHEMBL1235161
    DB03945
    ZINC000001532692    		 115 C5 H15 N O4 P InChI=1S/C5H14NO4P/c1-6(2
    ,3)4-5-10-11(7,8)9/h4-5H2
    ,1-3H3,(H-,7,8,9)/p+1;
    YHHSONZFOIEMCP-UHFFFAOYSA-O    		 O=P(O)(O)OCC[N+](C)(C)C; C[N+](C)(C)CCO[
    P](O)(O)=O; C[N+](C)(C)CCOP(=O)(O)O    		 PHOSPHOCHOLINE
    32951 PC0
    DB08372
    ZINC000018422318    		 1 C16 H19 F N4 O S InChI=1S/C16H19FN4OS/c1-3
    -22-13-7-9-18-12(15(13)17
    )6-8-19-16(23)21-14-5-4-1
    1(2)10-20-14/h4-5,7,9-10H
    ,3,6,8H2,1-2H3,(H2,19,20,
    21,23);
    QOVMZMFNTIUFLU-UHFFFAOYSA-N    		 CCOc1ccnc(c1F)CCNC(=S)Nc2ccc(cn2)C; CCOc
    1ccnc(CCNC(=S)Nc2ccc(C)cn2)c1F; S=C(Nc1n
    cc(cc1)C)NCCc2nccc(OCC)c2F    		 1-[2-(4-ETHOXY-3-FLUOROPYRIDIN-2-YL)ETHYL]-3-(5-METHYLPYRIDIN-2-YL)THIOUREA
    32952 PC1 0 C44 H88 N O8 P InChI=1S/C44H88NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    42H,6-41H2,1-5H3/t42-/m1/
    s1;
    NRJAVPSFFCBXDT-HUESYALOSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; C
    CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)
    ([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    ([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC
    CCCCCCCC; O=C(OC(COP([O-])(=O)OCC[N+](C)
    (C)C)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCC
    CCCCCCC; CCCCCCCCCCCCCCCCCC(=O)OC[C@H](C
    O[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC
    CCCCCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    3-SN-PHOSPHATIDYLCHOLINE
    32953 PC2 0 C44 H89 N O8 P InChI=1S/C44H88NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    42H,6-41H2,1-5H3/p+1/t42-
    /m1/s1;
    NRJAVPSFFCBXDT-HUESYALOSA-O    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[
    N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; O=C(
    OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[
    N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; CCCCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC
    [N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCC    		 DI-STEAROYL-3-SN-PHOSPHATIDYLCHOLINE
    32954 PC3
    DB04423    		 0 C36 H36 Co N4 O8 InChI=1S/C36H36N4O8.Co/c1
    -17-21(5-9-33(41)42)29-14
    -26-19(3)23(7-11-35(45)46
    )31(39-26)16-28-20(4)24(8
    -12-36(47)48)32(40-28)15-
    27-18(2)22(6-10-34(43)44)
    30(38-27)13-25(17)37-29;/
    h13-16H,5-12H2,1-4H3,(H,4
    1,42)(H,43,44)(H,45,46)(H
    ,47,48);/q-4;+4/b25-13-,2
    6-14-,27-15-,28-16-,29-14
    -,30-13-,31-16-,32-15-;;
    YMJSUHOSFAHJRH-MXOXSBADSA-N    		 O=C(O)CCC1=C(C2=Cc4c(c(c3C=C5C(=C(C6=Cc8
    c(c(c7C=C1N2[Co](n34)(N56)n78)C)CCC(=O)O
    )C)CCC(=O)O)C)CCC(=O)O)C; Cc1c2n3c(c1CCC
    (=O)O)C=C4C(=C(C5=Cc6c(c(c7n6[Co]3(N45)N
    8C(=C7)C(=C(C8=C2)CCC(=O)O)C)CCC(=O)O)C)
    CCC(=O)O)C; Cc1c(CCC(O)=O)c2C=C3N4C(=Cc5
    n6c(C=C7N8C(=Cc1n2[Co]468)C(=C7C)CCC(O)=
    O)c(CCC(O)=O)c5C)C(=C3C)CCC(O)=O    		 COPROPORPHYRIN I CONTAINING CO(III)
    32955 PC4 7 Cl4 Pt InChI=1S/4ClH.Pt/h4*1H;/q
    ;;;;+2/p-4;
    SVZRVTAEYVVVPM-UHFFFAOYSA-J    		 Cl[Pt--](Cl)(Cl)Cl; Cl[Pt-2](Cl)(Cl)Cl TETRACHLOROPLATINATE(II)
    32956 PC5
    DB02225    		 1 C18 H36 N O6 P S2 InChI=1S/C18H36NO6PS2/c1-
    6-8-10-17(20)22-14-16(25-
    18(21)11-9-7-2)15-24-26(2
    7,28)23-13-12-19(3,4)5/h1
    6H,6-15H2,1-5H3/t16-/m1/s
    1;
    WEXRBKRFCBLWEL-MRXNPFEDSA-N    		 CCCCC(=O)OC[CH](CO[P]([S-])(=S)OCC[N+](C
    )(C)C)OC(=O)CCCC; CCCCC(=O)OC[C@H](COP(=
    S)(OCC[N+](C)(C)C)[S-])OC(=O)CCCC; CCCCC
    (=O)OC[C@H](CO[P]([S-])(=S)OCC[N+](C)(C)
    C)OC(=O)CCCC; CCCCC(=O)OCC(COP(=S)(OCC[N
    +](C)(C)C)[S-])OC(=O)CCCC; O=C(OC(COP([S
    -])(=S)OCC[N+](C)(C)C)COC(=O)CCCC)CCCC    		 1,2-DI-N-PENTANOYL-SN-GLYCERO-3-DITHIOPHOSPHOCHOLINE
    32957 PC6 0 C45 H90 N O8 P InChI=1S/C45H90NO8P/c1-6-
    8-10-12-14-16-17-18-19-20
    -21-22-23-24-25-26-27-28-
    30-32-34-36-38-45(48)54-4
    3(42-53-55(49,50)52-40-39
    -46(3,4)5)41-51-44(47)37-
    35-33-31-29-15-13-11-9-7-
    2/h43H,6-42H2,1-5H3/t43-/
    m1/s1;
    KWHAREAUZBVBDS-VZUYHUTRSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)C
    CCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C;
    CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[CH](COC(=
    O)CCCCCCCCCCC)CO[P]([O-])(=O)OCC[N+](C)(
    C)C; CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H]
    (COC(=O)CCCCCCCCCCC)CO[P]([O-])(=O)OCC[N
    +](C)(C)C; CCCCCCCCCCCCCCCCCCCCCCCCC(=O)
    O[C@H](COC(=O)CCCCCCCCCCC)CO[P@@](=O)([O
    -])OCC[N+](C)(C)C; O=C(OC(COP([O-])(=O)O
    CC[N+](C)(C)C)COC(=O)CCCCCCCCCCC)CCCCCCC
    CCCCCCCCCCCCCCCCC    		 7-[(DODECANOYLOXY)METHYL]-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-3,5,8-TRIOXA-4-PHOSPHADOTRIACONTAN-1-AMINIUM 4-OXIDE
    32958 PC7
    ZINC000032792133    		 0 C42 H85 N O8 P InChI=1S/C42H84NO8P/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/h40H,6-
    39H2,1-5H3/p+1/t40-/m0/s1;
    PZNPLUBHRSSFHT-FAIXQHPJSA-O    		 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCC
    CCCCCCC)COP(=O)(O)OCC[N+](C)(C)C; CCCCCC
    CCCCCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCCCCC
    CCCC)CO[P](O)(=O)OCC[N+](C)(C)C; O=C(OCC
    (OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCC[N+]
    (C)(C)C)O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCC
    CCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)
    CO[P@](=O)(O)OCC[N+](C)(C)C; CCCCCCCCCCC
    CCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCC
    C)CO[P@@](O)(=O)OCC[N+](C)(C)C    		 (7S)-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE;
    PHOSPHATIDYLCHOLINE;
    1-PALMITOYL-2-STEAROYL-PC
    32959 PC8
    ZINC000012834343    		 0 C24 H49 N O8 P InChI=1S/C24H48NO8P/c1-6-
    8-10-12-14-16-23(26)30-20
    -22(33-24(27)17-15-13-11-
    9-7-2)21-32-34(28,29)31-1
    9-18-25(3,4)5/h22H,6-21H2
    ,1-5H3/p+1/t22-/m1/s1;
    YHIXRNNWDBPKPW-JOCHJYFZSA-O    		 CCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCC; CCCCCCCC(=O)OC[C@
    H](CO[P@@](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
    CCCCC; CCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)OC(=O)CCCCCCC; O=C(OCC(OC(=O)CCC
    CCCC)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC; C
    CCCCCCC(=O)OC[CH](CO[P](O)(=O)OCC[N+](C)
    (C)C)OC(=O)CCCCCCC    		 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE
    32960 PC9 6 C42 H83 Br2 N O8 P InChI=1S/C42H82Br2NO8P/c1
    -6-8-10-12-14-16-17-18-19
    -21-23-25-27-32-41(46)50-
    36-38(37-52-54(48,49)51-3
    5-34-45(3,4)5)53-42(47)33
    -29-28-31-40(44)39(43)30-
    26-24-22-20-15-13-11-9-7-
    2/h38-40H,6-37H2,1-5H3/p+
    1/t38-,39+,40+/m1/s1;
    JYNIJUKRMQKJED-WKSNTLBMSA-O    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](O)(=O
    )OCC[N+](C)(C)C)OC(=O)CCCC[C@H](Br)[C@@H
    ](Br)CCCCCCCCCCC; CCCCCCCCCCCCCCCC(=O)OC
    [CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CC
    CC[CH](Br)[CH](Br)CCCCCCCCCCC; CCCCCCCCC
    CCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)
    OC(=O)CCCCC(C(CCCCCCCCCCC)Br)Br; CCCCCCC
    CCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N
    +](C)(C)C)OC(=O)CCCC[C@@H]([C@H](CCCCCCC
    CCCC)Br)Br; BrC(CCCCCCCCCCC)C(Br)CCCCC(=
    O)OC(COP(=O)(OCC[N+](C)(C)C)O)COC(=O)CCC
    CCCCCCCCCCCC    		 (7R,14S)-14,15-DIBROMO-4-HYDROXY-N,N,N-TRIMETHYL-9-OXO-7-[(PALMITOYLOXY)METHYL]-3,5,8-TRIOXA-4-PHOSPHAHEXACOSAN-1-AMINIUM 4-OXIDE;
    6,7-DIBROMO-PHOSPHATIDYLCHOLINE
    32961 PCA
    CHEMBL397976
    DB03088
    ZINC000003598263    		 22 C5 H7 N O3 InChI=1S/C5H7NO3/c7-4-2-1
    -3(6-4)5(8)9/h3H,1-2H2,(H
    ,6,7)(H,8,9)/t3-/m0/s1;
    ODHCTXKNWHHXJC-VKHMYHEASA-N    		 C1CC(=O)N[C@@H]1C(=O)O; OC(=O)[CH]1CCC(=
    O)N1; O=C(O)C1NC(=O)CC1; OC(=O)[C@@H]1CC
    C(=O)N1; C1CC(=O)NC1C(=O)O    		 PYROGLUTAMIC ACID
    32962 PCB
    DB08373    		 2 C14 H10 Cl4 O4 S2 InChI=1S/C14H10Cl4O4S2/c1
    -23(19,20)13-5-9(15)7(3-1
    1(13)17)8-4-12(18)14(6-10
    (8)16)24(2,21)22/h3-6H,1-
    2H3;
    RDBKPLOYRMCFIY-UHFFFAOYSA-N    		 CS(=O)(=O)c1cc(c(cc1Cl)c2cc(c(cc2Cl)S(=O
    )(=O)C)Cl)Cl; Clc2cc(c(Cl)cc2c1c(Cl)cc(c
    (Cl)c1)S(=O)(=O)C)S(=O)(=O)C; C[S](=O)(=
    O)c1cc(Cl)c(cc1Cl)c2cc(Cl)c(cc2Cl)[S](C)
    (=O)=O    		 4,4'-BIS([H]METHYLSULFONYL)-2,2',5,5'-TETRACHLOROBIPHENYL
    32963 PCC 0 C5 H7 N O3 InChI=1/C5H7NO3/c7-4-2-1-
    3(6-4)5(8)9/h3H,1-2H2,(H,
    6,7)(H,8,9)/t3-/m0/s1/f/h
    6,8H;
    ODHCTXKNWHHXJC-NEWVVPMODF    		 C1CC(=O)N[C@@H]1C(=O)O; OC(=O)[CH]1CCC(=
    O)N1; O=C(O)C1NC(=O)CC1; OC(=O)[C@@H]1CC
    C(=O)N1; C1CC(=O)NC1C(=O)O    		 5-OXOPROLINE;
    PYROGLUTAMIC ACID
    32964 PCD 25 C19 H26 Mo N8 O16 P2 S2 InChI=1S/C19H26N8O13P2S2.
    Mo.H2O.2O/c20-7-1-2-27(19
    (31)22-7)17-11(29)10(28)5
    (39-17)3-36-41(32,33)40-4
    2(34,35)37-4-6-12(43)13(4
    4)8-16(38-6)24-14-9(23-8)
    15(30)26-18(21)25-14;;;;/
    h1-2,5-6,8,10-11,16-17,23
    ,28-29,43-44H,3-4H2,(H,32
    ,33)(H,34,35)(H2,20,22,31
    )(H4,21,24,25,26,30);;1H2
    ;;/q;+2;;;/p-2/t5-,6-,8+,
    10-,11-,16-,17-;;;;/m1...
    ./s1;
    YEBYDVFRFUQMER-MQPNXHJTSA-L    		 O.NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]4Nc5nc(N)n
    c(O)c5N[C@H]4C6=C3S[Mo](=O)(=O)S6)[C@@H]
    (O)[C@H]2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)
    COP(=O)(O)OP(=O)(O)OCC3C4=C(C5C(O3)Nc6c(
    c(nc(n6)N)O)N5)S[Mo](=O)(=O)(S4)[OH2])O)
    O; O.NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O
    )(=O)O[P](O)(=O)OC[CH]3O[CH]4Nc5nc(N)nc(
    O)c5N[CH]4C6=C3S[Mo](=O)(=O)S6)[CH](O)[C
    H]2O; C1=CN(C(=O)N=C1N)[C@H]2C([C@@H]([C
    @H](O2)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H
    ]3C4=C([C@H]5[C@@H](O3)Nc6c(c(nc(n6)N)O)
    N5)S[Mo](=O)(=O)(S4)[OH2])O)O    		 (MOLYBDOPTERIN-CYTOSINE DINUCLEOTIDE-S,S)-DIOXO-AQUA-MOLYBDENUM(V);
    MOLYBDENUM COFACTOR;
    MOCO
    32965 PCE
    ZINC000033396875    		 0 C15 H25 N O3 InChI=1S/C15H25NO3/c1-2-6
    -12(15(18)19)10-14(17)13(
    16)9-11-7-4-3-5-8-11/h1,1
    1-14,17H,3-10,16H2,(H,18,
    19)/t12-,13+,14-/m1/s1;
    LBVTXTJVEPPIKK-HZSPNIEDSA-N    		 C#CCC(CC(C(CC1CCCCC1)N)O)C(=O)O; N[CH](C
    C1CCCCC1)[CH](O)C[CH](CC#C)C(O)=O; N[C@@
    H](CC1CCCCC1)[C@H](O)C[C@@H](CC#C)C(O)=O
    ; C#CCC(C[C@H]([C@H](CC1CCCCC1)N)O)C(=O)
    O; O=C(O)C(CC#C)CC(O)C(N)CC1CCCCC1    		 2-(3-AMINO-4-CYCLOHEXYL-2-HYDROXY-BUTYL)-PENT-4-YNOIC ACID
    32966 PCF
    CHEMBL1200737
    DB09114    		 0 C40 H80 N O8 P InChI=1S/C40H80NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-39(42)46-36-
    38(37-48-50(44,45)47-35-3
    4-41(3,4)5)49-40(43)33-31
    -29-27-25-23-21-19-17-15-
    13-11-9-7-2/h38H,6-37H2,1
    -5H3/t38-/m1/s1;
    KILNVBDSWZSGLL-KXQOOQHDSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=
    O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC;
    CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC
    [N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])O
    CC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; CCC
    CCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)
    OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC; O=
    C(OC(COP([O-])(=O)OCC[N+](C)(C)C)COC(=O)
    CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC    		 1,2-DIACYL-SN-GLYCERO-3-PHOSHOCHOLINE
    32967 PCG
    CHEMBL395336
    DB02315
    ZINC000004095501    		 163 C10 H12 N5 O7 P InChI=1S/C10H12N5O7P/c11-
    10-13-7-4(8(17)14-10)12-2
    -15(7)9-5(16)6-3(21-9)1-2
    0-23(18,19)22-6/h2-3,5-6,
    9,16H,1H2,(H,18,19)(H3,11
    ,13,14,17)/t3-,5-,6-,9-/m
    1/s1;
    ZOOGRGPOEVQQDX-UUOKFMHZSA-N    		 c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(N
    C2=O)N; O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC
    2C3O)O)N; c1nc2c(n1[C@H]3[C@@H]([C@H]4C(
    O3)CO[P@](=O)(O4)O)O)N=C(NC2=O)N; NC1=Nc
    2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P@](O)(
    =O)O[C@H]4[C@H]3O; NC1=Nc2n(cnc2C(=O)N1)
    [CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O    		 CYCLIC GUANOSINE MONOPHOSPHATE
    32968 PCH
    ZINC000005975173    		 0 C15 H24 N2 O2 InChI=1S/C15H24N2O2/c16-1
    4(10-12-4-2-1-3-5-12)15(1
    8)11-19-13-6-8-17-9-7-13/
    h6-9,12,14-15,18H,1-5,10-
    11,16H2/t14-,15-/m0/s1;
    SCCSQJNTNWRNGV-GJZGRUSLSA-N    		 N[CH](CC1CCCCC1)[CH](O)COc2ccncc2; c1cnc
    cc1OCC(C(CC2CCCCC2)N)O; O(c1ccncc1)CC(O)
    C(N)CC2CCCCC2; c1cnccc1OC[C@@H]([C@H](CC
    2CCCCC2)N)O; N[C@@H](CC1CCCCC1)[C@@H](O)
    COc2ccncc2    		 3-AMINO-4-CYCLOHEXYL-1-(PYRIDIN-4-YLOXY)BUTAN-2-OL
    32969 PCI
    CHEMBL75967
    ZINC000001529471    		 30 C6 H Cl5 O InChI=1S/C6HCl5O/c7-1-2(8
    )4(10)6(12)5(11)3(1)9/h12
    H;
    IZUPBVBPLAPZRR-UHFFFAOYSA-N    		 c1(c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)O; Clc1c(O)c
    (Cl)c(Cl)c(Cl)c1Cl; Oc1c(Cl)c(Cl)c(Cl)c(
    Cl)c1Cl    		 PENTACHLOROPHENOL
    32970 PCJ
    ZINC000098209296    		 7 C54 H105 N O6 S InChI=1S/C54H105NO6S/c1-4
    -7-10-13-16-19-22-25-28-3
    1-34-37-40-43-52(57)55-50
    (46-56)48-62-49-51(61-54(
    59)45-42-39-36-33-30-27-2
    4-21-18-15-12-9-6-3)47-60
    -53(58)44-41-38-35-32-29-
    26-23-20-17-14-11-8-5-2/h
    50-51,56H,4-49H2,1-3H3,(H
    ,55,57)/t50-,51+/m0/s1;
    GBQDHEZHWNJSLG-OKPYTHRESA-N    		 CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)CSC[C@@H]
    (COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC
    CCCCC; CCCCCCCCCCCCCCCC(=O)NC(CO)CSCC(CO
    C(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCC
    CC; CCCCCCCCCCCCCCCC(=O)N[CH](CO)CSC[CH]
    (COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCC
    CCCCC; O=C(OC(CSCC(NC(=O)CCCCCCCCCCCCCCC
    )CO)COC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCC
    CC    		 (2R)-3-{[(2S)-3-HYDROXY-2-(PALMITOYLAMINO)PROPYL]THIO}PROPANE-1,2-DIYL DIHEXADECANOATE
    32971 PCK 2 C44 H85 Br4 N O8 P InChI=1S/C44H84Br4NO8P/c1
    -6-8-10-12-16-22-28-39(45
    )41(47)30-24-18-14-20-26-
    32-43(50)54-36-38(37-56-5
    8(52,53)55-35-34-49(3,4)5
    )57-44(51)33-27-21-15-19-
    25-31-42(48)40(46)29-23-1
    7-13-11-9-7-2/h38-42H,6-3
    7H2,1-5H3/p+1/t38-,39-,40
    +,41+,42+/m1/s1;
    YUUHMVDKYQRXLY-LPAYBXTFSA-O    		 CCCCCCCC[CH](Br)[CH](Br)CCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=O)CCCC
    CCC[CH](Br)[CH](Br)CCCCCCCC; CCCCCCCC[C@
    H]([C@H](CCCCCCCC(=O)OC[C@H](CO[P@](=O)(
    O)OCC[N+](C)(C)C)OC(=O)CCCCCCC[C@@H]([C@
    H](CCCCCCCC)Br)Br)Br)Br; CCCCCCCCC(C(CCC
    CCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC
    (=O)CCCCCCCC(C(CCCCCCCC)Br)Br)Br)Br; BrC
    (CCCCCCCC)C(Br)CCCCCCCC(=O)OCC(OC(=O)CCC
    CCCCC(Br)C(Br)CCCCCCCC)COP(=O)(OCC[N+](C
    )(C)C)O; CCCCCCCC[C@@H](Br)[C@@H](Br)CCC
    CCCCC(=O)OC[C@H](CO[P@@](O)(=O)OCC[N+](C
    )(C)C)OC(=O)CCCCCCC[C@H](Br)[C@@H](Br)CC
    CCCCCC    		 (7R,18S,19R)-18,19-DIBROMO-7-{[(9S,10S)-9,10-DIBROMOOCTADECANOYL]OXY}-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-P HOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE;
    TETRABROMINATED PHOSPHATIDYLCHOLINE;
    1,2-DISTEAROYL(9,10-DIBROMO)-SN-GLYCERO-3-PHOSPHOCHOLINE
    32972 PCL 1 Cl2 Pt InChI=1S/2ClH.Pt/h2*1H;/q
    ;;+2/p-2;
    CLSUSRZJUQMOHH-UHFFFAOYSA-L    		 Cl[Pt]Cl PLATINUM(II) DI-CHLORIDE
    32973 PCM
    DB03405
    ZINC000014096696    		 1 C32 H42 N4 O7 InChI=1S/C32H42N4O7/c1-21
    (2)15-25(34-31(40)42-19-2
    3-11-7-5-8-12-23)29(38)33
    -27-17-36(18-28(27)37)30(
    39)26(16-22(3)4)35-32(41)
    43-20-24-13-9-6-10-14-24/
    h5-14,21-22,25-27H,15-20H
    2,1-4H3,(H,33,38)(H,34,40
    )(H,35,41)/t25-,26-,27+/m
    0/s1;
    GXENQLUSOCKXDN-GMQQYTKMSA-N    		 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H
    ]2CN(CC2=O)C(=O)[C@H](CC(C)C)NC(=O)OCc3c
    cccc3; CC(C)CC(C(=O)NC1CN(CC1=O)C(=O)C(C
    C(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3;
    CC(C)C[C@@H](C(=O)N[C@@H]1CN(CC1=O)C(=O
    )[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc
    3ccccc3; CC(C)C[CH](NC(=O)OCc1ccccc1)C(=
    O)N[CH]2CN(CC2=O)C(=O)[CH](CC(C)C)NC(=O)
    OCc3ccccc3; O=C(N2CC(=O)C(NC(=O)C(NC(=O)
    OCc1ccccc1)CC(C)C)C2)C(NC(=O)OCc3ccccc3)
    CC(C)C    		 1-[N[(PHENYLMETHOXY)CARBONYL]-L-LEUCYL-4-[[N/N-[(PHENYLMETHOXY)CARBONYL]-/NL-LEUCYL]AMINO]-3-PYRROLIDINONE/N
    32974 PCN
    DB03437
    ZINC000033396878    		 1 C14 H19 N5 O5 S2 InChI=1S/C14H19N5O5S2/c1-
    14(2)9(12(22)23)18-11(26-
    14)6(4-20)16-10(21)8(19-2
    4-3)7-5-25-13(15)17-7/h4-
    6,9,11,18H,1-3H3,(H2,15,1
    7)(H,16,21)(H,22,23)/b19-
    8-/t6-,9+,11-/m1/s1;
    YVNKGXXVZIQNIV-RKMXGKDGSA-N    		 CON=C(C(=O)N[CH](C=O)[CH]1N[CH](C(O)=O)C
    (C)(C)S1)c2csc(N)n2; O=C(NC(C=O)C1SC(C(N
    1)C(=O)O)(C)C)/C(=N\OC)c2nc(sc2)N; CO\N=
    C(/C(=O)N[C@H](C=O)[C@@H]1N[C@@H](C(O)=O
    )C(C)(C)S1)c2csc(N)n2; CC1(C(NC(S1)C(C=O
    )NC(=O)C(=NOC)c2csc(n2)N)C(=O)O)C; CC1([
    C@@H](N[C@H](S1)[C@@H](C=O)NC(=O)/C(=N\O
    C)/c2csc(n2)N)C(=O)O)C    		 2-{1-[2-(2-AMINO-THIAZOL-4-YL)-2-METHOXYIMINO-ACETYLAMINO]-2-OXO-ETHYL}-5,5-DIMETHYL-THIAZOLIDINE-4-CARBOXYLIC ACID
    32975 PCO
    DB03738
    ZINC000103552970    		 1 C11 H20 N2 O4 S InChI=1S/C11H20N2O4S/c1-1
    1(2,7-14)9(16)10(17)13-4-
    3-8(15)12-5-6-18/h5-6,9,1
    4,16,18H,3-4,7H2,1-2H3,(H
    ,12,15)(H,13,17)/b6-5-/t9
    -/m0/s1;
    GVPONLWGQFZYSV-UDIARPCQSA-N    		 CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)N\C=C/S;
    CC(C)(CO)[C@H](C(=O)NCCC(=O)N\C=C/S)O; C
    C(C)(CO)[CH](O)C(=O)NCCC(=O)NC=CS; O=C(N
    \C=C/S)CCNC(=O)C(O)C(C)(C)CO; CC(C)(CO)C
    (C(=O)NCCC(=O)NC=CS)O    		 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE;
    PANTOTHENOYLAMINOETHENETHIOL
    32976 PCP
    DB03942
    ZINC000012504044    		 17 C6 H15 O13 P3 InChI=1S/C6H15O13P3/c7-5-
    3(2-17-20(9,10)11)1-4(6(5
    )8)18-22(15,16)19-21(12,1
    3)14/h3-8H,1-2H2,(H,15,16
    )(H2,9,10,11)(H2,12,13,14
    )/t3-,4+,5-,6+/m1/s1;
    OICBXEWBKALHHB-MOJAZDJTSA-N    		 O[C@H]1[C@@H](O)[C@H](C[C@@H]1CO[P](O)(O
    )=O)O[P@@](O)(=O)O[P](O)(O)=O; C1C(C(C(C
    1OP(=O)(O)OP(=O)(O)O)O)O)COP(=O)(O)O; C1
    [C@@H]([C@H]([C@H]([C@H]1O[P@](=O)(O)OP(
    =O)(O)O)O)O)COP(=O)(O)O; O[CH]1[CH](O)[C
    H](C[CH]1CO[P](O)(O)=O)O[P](O)(=O)O[P](O
    )(O)=O; O=P(OC1CC(C(O)C1O)COP(=O)(O)O)(O
    )OP(=O)(O)O    		 1-ALPHA-PYROPHOSPHORYL-2-ALPHA,3-ALPHA-DIHYDROXY-4-BETA-CYCLOPENTANE-METHANOL-5-PHOSPHATE;
    CARBOXYLIC PRPP;
    CPRPP
    32977 PCQ
    CHEMBL83116
    DB03346
    ZINC000000294550    		 6 C12 H6 Cl4 O2 InChI=1S/C12H6Cl4O2/c13-7
    -1-5(2-8(14)11(7)17)6-3-9
    (15)12(18)10(16)4-6/h1-4,
    17-18H;
    YCYDXOVJXVALHY-UHFFFAOYSA-N    		 Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1
    c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc
    1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2    		 3,5,3',5'-TETRACHLORO-BIPHENYL-4,4'-DIOL
    32978 PCR
    CHEMBL16645
    DB01688
    ZINC000000897142    		 25 C7 H8 O InChI=1S/C7H8O/c1-6-2-4-7
    (8)5-3-6/h2-5,8H,1H3;
    IWDCLRJOBJJRNH-UHFFFAOYSA-N    		 Cc1ccc(cc1)O; Oc1ccc(cc1)C; Cc1ccc(O)cc1 P-CRESOL
    32979 PCS
    DB08374
    ZINC000002504633    		 1 C10 H12 Cl N O InChI=1S/C10H12ClNO/c11-7
    -10(13)9(12)6-8-4-2-1-3-5
    -8/h1-5,9H,6-7,12H2/t9-/m
    0/s1;
    CNNSBPMDYXZFTQ-VIFPVBQESA-N    		 ClCC(=O)C(N)Cc1ccccc1; N[CH](Cc1ccccc1)C
    (=O)CCl; c1ccc(cc1)CC(C(=O)CCl)N; c1ccc(
    cc1)C[C@@H](C(=O)CCl)N; N[C@@H](Cc1ccccc
    1)C(=O)CCl    		 PHENYLALANYLMETHYLCHLORIDE
    32980 PCT 18 C2 H6 N O4 P InChI=1S/C2H6NO4P/c3-2(4)
    1-8(5,6)7/h1H2,(H2,3,4)(H
    2,5,6,7);
    AKVIWWJLBFWFLM-UHFFFAOYSA-N    		 O=C(N)CP(=O)(O)O; C(C(=O)N)P(=O)(O)O; NC
    (=O)C[P](O)(O)=O    		 PHOSPHONOACETAMIDE
    32981 PCU 0 C44 H36 Cu N8 InChI=1S/C44H36N8.Cu/c1-4
    9-21-13-29(14-22-49)41-33
    -5-7-35(45-33)42(30-15-23
    -50(2)24-16-30)37-9-11-39
    (47-37)44(32-19-27-52(4)2
    8-20-32)40-12-10-38(48-40
    )43(36-8-6-34(41)46-36)31
    -17-25-51(3)26-18-31;/h5-
    28H,1-4H3;/q-4;+4;
    VSZLZGDEQJGAOM-UHFFFAOYSA-N    		 c56\C(=C1/C=CN(C=C1)C)c%11ccc%12C(=C2/C=
    CN(C=C2)C)/c%10ccc9C(=C3/C=CN(C=C3)C)/c8
    ccc7C(=C4/C=CN(C=C4)C)/c(cc5)n6[Cu](n78)
    (n9%10)n%11%12; CN1C=CC(=C2c3ccc4n3[Cu]5
    6n7c2ccc7C(=C8C=CN(C=C8)C)c9n5c(cc9)C(=C
    2C=CN(C=C2)C)c2n6c(cc2)C4=C2C=CN(C=C2)C)
    C=C1; CN1C=CC(C=C1)=C2c3ccc4n3[Cu]56n7c2
    ccc7C(=C8C=CN(C)C=C8)c9ccc(n59)C(=C%10C=
    CN(C)C=C%10)c%11ccc(n6%11)C4=C%12C=CN(C)
    C=C%12    		 CU(II)MESO(4-N-TETRAMETHYLPYRIDYL)PORPHYRIN
    32982 PCV 1 C8 H14 N2 O4 InChI=1S/C8H14N2O4/c9-3-1
    -5(11)7(8(13)14)10-4-2-6(
    10)12/h5,7,11H,1-4,9H2,(H
    ,13,14)/t5-,7+/m1/s1;
    NMCINKPVAOXDJH-VDTYLAMSSA-N    		 O=C1N(C(C(=O)O)C(O)CCN)CC1; NCC[CH](O)[C
    H](N1CCC1=O)C(O)=O; NCC[C@@H](O)[C@H](N1
    CCC1=O)C(O)=O; C1CN(C1=O)C(C(CCN)O)C(=O)
    O; C1CN(C1=O)[C@@H]([C@@H](CCN)O)C(=O)O    		 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID;
    PROCLAVAMINIC ACID
    32983 PCW
    DB03690
    ZINC000085546471    		 0 C44 H85 N O8 P InChI=1S/C44H84NO8P/c1-6-
    8-10-12-14-16-18-20-22-24
    -26-28-30-32-34-36-43(46)
    50-40-42(41-52-54(48,49)5
    1-39-38-45(3,4)5)53-44(47
    )37-35-33-31-29-27-25-23-
    21-19-17-15-13-11-9-7-2/h
    20-23,42H,6-19,24-41H2,1-
    5H3/p+1/b22-20-,23-21-/t4
    2-/m1/s1;
    SNKAWJBJQDLSFF-NVKMUCNASA-O    		 CCCCCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCC
    [N+](C)(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CC
    CCCCCC\C=C/CCCCCCCC(=O)OC[C@H](CO[P@](O)
    (=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/CCC
    CCCCC; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCC
    C)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCC\C=C/C
    CCCCCCC; CCCCCCCC\C=C/CCCCCCCC(=O)OC[C@H
    ](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCC
    CCCC\C=C/CCCCCCCC; CCCCCCCCC=CCCCCCCCC(=
    O)OC[CH](CO[P](O)(=O)OCC[N+](C)(C)C)OC(=
    O)CCCCCCCC=CCCCCCCCC    		 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    (Z,Z)-4-HYDROXY-N,N,N-TRIMETHYL-10-OXO-7-[(1-OXO-9-OCTADECENYL)OXY]-3,5,9-TRIOXA-4-PHOSPHAHEPTACOS-18-EN-1-AMINIUM-4-OXIDE
    32984 PCX
    DB02475
    ZINC000001530512    		 4 C9 H16 N4 O3 InChI=1S/C9H16N4O3/c10-9(
    11)12-4-1-2-6(8(15)16)13-
    5-3-7(13)14/h6H,1-5H2,(H,
    15,16)(H4,10,11,12)/t6-/m
    0/s1;
    UYADDEKIZFRINK-LURJTMIESA-N    		 [H]N=C(N)NCCCC(C(=O)O)N1CCC1=O; O=C(O)C(
    N1C(=O)CC1)CCCNC(=[N@H])N; NC(=N)NCCC[CH
    ](N1CCC1=O)C(O)=O; [H]/N=C(/N)\NCCC[C@@H
    ](C(=O)O)N1CCC1=O; NC(=N)NCCC[C@H](N1CCC
    1=O)C(O)=O    		 DEOXYGUANIDINOPROCLAVAMINIC ACID
    32985 PCY
    CHEMBL458512
    ZINC000044358916    		 0 C28 H38 N4 O8 InChI=1S/C28H38N4O8/c1-15
    -9-7-12-20(35)21(15)24(36
    )40-14-27(39)23(30-19-11-
    8-10-18(13-19)16(2)33)22(
    29)28(17(3)34,26(27,4)38)
    31-25(37)32(5)6/h7-13,17,
    22-23,30,34-35,38-39H,14,
    29H2,1-6H3,(H,31,37)/t17-
    ,22-,23-,26-,27+,28-/m0/s
    1;
    WVIUOSJLUCTGFK-JUJPXXQGSA-N    		 C[CH](O)[C]1(NC(=O)N(C)C)[CH](N)[CH](Nc2
    cccc(c2)C(C)=O)[C](O)(COC(=O)c3c(C)cccc3
    O)[C]1(C)O; Cc1cccc(c1C(=O)OC[C@]2([C@H]
    ([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O
    )N(C)C)N)Nc3cccc(c3)C(=O)C)O)O; C[C@H](O
    )[C@]1(NC(=O)N(C)C)[C@@H](N)[C@H](Nc2ccc
    c(c2)C(C)=O)[C@](O)(COC(=O)c3c(C)cccc3O)
    [C@]1(C)O; Cc1cccc(c1C(=O)OCC2(C(C(C(C2(
    C)O)(C(C)O)NC(=O)N(C)C)N)Nc3cccc(c3)C(=O
    )C)O)O; O=C(c1cc(ccc1)NC2C(O)(C(O)(C(NC(
    =O)N(C)C)(C2N)C(O)C)C)COC(=O)c3c(cccc3O)
    C)C    		 Pactamycin
    32986 PCZ 0 C14 H15 N5 O5 S2 InChI=1S/C14H15N5O5S2/c1-
    6-4-25-12(18-9(6)13(22)23
    )7(3-20)16-11(21)10(19-24
    -2)8-5-26-14(15)17-8/h3,5
    ,7,12H,1,4H2,2H3,(H2,15,1
    7)(H,16,21)(H,22,23)/b19-
    10-/t7-,12-/m1/s1;
    NRYMPLKBKFIWQC-YVCCLBOHSA-N    		 CO/N=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@
    H]2N=C(C(=C)CS2)C(=O)O; CO\N=C(/C(=O)N[C
    @H](C=O)[C@H]1SCC(=C)C(=N1)C(O)=O)c2csc(
    N)n2; O=CC(C1N=C(C(=C)\CS1)C(=O)O)NC(=O)
    \C(=N/OC)c2csc(n2)N; CON=C(c1csc(n1)N)C(
    =O)NC(C=O)C2N=C(C(=C)CS2)C(=O)O; CON=C(C
    (=O)N[CH](C=O)[CH]1SCC(=C)C(=N1)C(O)=O)c
    2csc(N)n2    		 (2R)-2-[(1R)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-oxoethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    CEFOTAXIME PRODUCT, OPEN FORM;
    PCNOTAXIME GROUP
    32987 PD 6 Pd InChI=1S/Pd/q+2;
    MUJIDPITZJWBSW-UHFFFAOYSA-N    		 [Pd++]; [Pd+2] PALLADIUM ION
    32988 PD1
    CHEMBL189584
    ZINC000003870533    		 2 C28 H41 N7 O3 InChI=1S/C28H41N7O3/c1-8-
    35(9-2)13-11-10-12-29-26-
    30-18-20-16-23(19-14-21(3
    7-6)17-22(15-19)38-7)25(3
    1-24(20)32-26)33-27(36)34
    -28(3,4)5/h14-18H,8-13H2,
    1-7H3,(H3,29,30,31,32,33,
    34,36);
    DXCUKNQANPLTEJ-UHFFFAOYSA-N    		 CCN(CC)CCCCNc1ncc2cc(c(nc2n1)NC(=O)NC(C)
    (C)C)c3cc(cc(c3)OC)OC; O=C(NC(C)(C)C)Nc1
    nc3nc(ncc3cc1c2cc(OC)cc(OC)c2)NCCCCN(CC)
    CC; CCN(CC)CCCCNc1ncc2cc(c(NC(=O)NC(C)(C
    )C)nc2n1)c3cc(OC)cc(OC)c3    		 1-TERT-BUTYL-3-[6-(3,5-DIMETHOXY-PHENYL)-2-(4-DIETHYLAMINO-BUTYLAMINO)-PYRIDO[2,3-D]PYRIMIDIN-7-YL]-UREA;
    PD 173074
    32989 PD2
    CHEMBL316034
    ZINC000000391915    		 26 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-1-2-8-5(3-4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    MJIVRKPEXXHNJT-UHFFFAOYSA-N    		 OC(=O)c1ccnc(c1)C(O)=O; O=C(O)c1nccc(C(=
    O)O)c1; c1cnc(cc1C(=O)O)C(=O)O    		 PYRIDINE-2,4-DICARBOXYLIC ACID
    32990 PD3
    ZINC000039715027    		 1 C25 H24 F3 N7 O InChI=1S/C25H24F3N7O/c26-
    25(27,28)16-6-4-8-18(13-1
    6)33-24(36)32-17-7-3-5-15
    (11-17)12-20-21-22(29)30-
    14-31-23(21)35(34-20)19-9
    -1-2-10-19/h3-8,11,13-14,
    19H,1-2,9-10,12H2,(H2,29,
    30,31)(H2,32,33,36);
    RKZUINFXRREENO-UHFFFAOYSA-N    		 FC(F)(F)c1cc(ccc1)NC(=O)Nc2cccc(c2)Cc4nn
    (c3ncnc(c34)N)C5CCCC5; c1cc(cc(c1)NC(=O)
    Nc2cccc(c2)C(F)(F)F)Cc3c4c(ncnc4n(n3)C5C
    CCC5)N; Nc1ncnc2n(nc(Cc3cccc(NC(=O)Nc4cc
    cc(c4)C(F)(F)F)c3)c12)C5CCCC5    		 1-{3-[(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)methyl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea
    32991 PD4
    CHEMBL564374
    ZINC000043012764    		 1 C24 H32 N6 O4 InChI=1S/C24H32N6O4/c1-3-
    13-33-16-12-30-23-20(6-5-
    19(28-23)18-4-7-21(32-2)2
    6-17-18)27-22(24(30)31)25
    -8-9-29-10-14-34-15-11-29
    /h4-7,17H,3,8-16H2,1-2H3,
    (H,25,27);
    KSAKYDGQTISGJC-UHFFFAOYSA-N    		 CCCOCCN1c2c(ccc(n2)c3ccc(nc3)OC)N=C(C1=O
    )NCCN4CCOCC4; O=C3N(c4nc(c1ccc(OC)nc1)cc
    c4N=C3NCCN2CCOCC2)CCOCCC; CCCOCCN1C(=O)C
    (=Nc2ccc(nc12)c3ccc(OC)nc3)NCCN4CCOCC4    		 6-(6-methoxypyridin-3-yl)-2-[(2-morpholin-4-ylethyl)amino]-4-(2-propoxyethyl)pyrido[2,3-b]pyrazin-3(4H)-one
    32992 PD5
    ZINC000039193038    		 3 C22 H20 F3 N7 O InChI=1S/C22H20F3N7O/c1-1
    2(2)32-20-17(19(26)27-11-
    28-20)18(31-32)13-6-8-15(
    9-7-13)29-21(33)30-16-5-3
    -4-14(10-16)22(23,24)25/h
    3-12H,1-2H3,(H2,26,27,28)
    (H2,29,30,33);
    LEERPLGXOHLQPF-UHFFFAOYSA-N    		 CC(C)n1c2c(c(n1)c3ccc(cc3)NC(=O)Nc4cccc(
    c4)C(F)(F)F)c(ncn2)N; CC(C)n1nc(c2ccc(NC
    (=O)Nc3cccc(c3)C(F)(F)F)cc2)c4c(N)ncnc14
    ; FC(F)(F)c1cc(ccc1)NC(=O)Nc4ccc(c3nn(c2
    ncnc(c23)N)C(C)C)cc4    		 1-{4-[4-amino-1-(1-methylethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]phenyl}-3-[3-(trifluoromethyl)phenyl]urea;
    1-(4-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
    32993 PD6 1 C18 H19 N3 O InChI=1S/C18H19N3O/c1-2-3
    -10-21-11-9-16(22)17-15(2
    1)12-14(20-18(17)19)13-7-
    5-4-6-8-13/h4-9,11-12H,2-
    3,10H2,1H3,(H2,19,20);
    RLCFNIHFDBMYES-UHFFFAOYSA-N    		 CCCCN1C=CC(=O)c2c(N)nc(cc12)c3ccccc3; CC
    CCN1C=CC(=O)c2c1cc(nc2N)c3ccccc3    		 5-amino-1-butyl-7-phenyl-1,6-naphthyridin-4(1H)-one
    32994 PD7
    CHEMBL482505
    DB08376
    ZINC000013544791    		 0 C17 H33 O8 P InChI=1S/C17H33O8P/c1-3-5
    -7-9-11-16(18)23-13-15(14
    -24-26(20,21)22)25-17(19)
    12-10-8-6-4-2/h15H,3-14H2
    ,1-2H3,(H2,20,21,22)/t15-
    /m1/s1;
    JAXUAGQDLYDLQB-OAHLLOKOSA-N    		 O=P(O)(OCC(OC(=O)CCCCCC)COC(=O)CCCCCC)O;
    CCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CC
    CCCC; CCCCCCC(=O)OC[CH](CO[P](O)(O)=O)OC
    (=O)CCCCCC; CCCCCCC(=O)OC[C@H](CO[P](O)(
    O)=O)OC(=O)CCCCCC; CCCCCCC(=O)OCC(COP(=O
    )(O)O)OC(=O)CCCCCC    		 (2R)-3-(phosphonooxy)propane-1,2-diyl diheptanoate
    32995 PD8
    DB03830
    ZINC000012503950    		 1 C14 H13 N6 O6 P InChI=1S/C14H13N6O6P/c15-
    14-19-11-10(12(21)20-14)1
    8-9(6-17-11)5-16-8-3-1-7(
    2-4-8)13(22)26-27(23,24)2
    5/h1-4,6,16H,5H2,(H2,23,2
    4,25)(H3,15,17,19,20,21);
    DNKVHXNVVYQUDC-UHFFFAOYSA-N    		 O=P(O)(O)OC(=O)c1ccc(cc1)NCc2nc3C(=O)NC(
    =Nc3nc2)N; NC1=Nc2ncc(CNc3ccc(cc3)C(=O)O
    [P](O)(O)=O)nc2C(=O)N1; c1cc(ccc1C(=O)OP
    (=O)(O)O)NCc2cnc3c(n2)C(=O)NC(=N3)N    		 PHOSPHORYLATED DIHYDROPTEROATE
    32996 PD9
    CHEMBL953
    DB00494
    ZINC000035342787    		 1 C14 H15 N3 O5 InChI=1S/C14H15N3O5/c1-3-
    16(4-2)14(20)10(8-15)5-9-
    6-11(17(21)22)13(19)12(18
    )7-9/h5-7,18-19H,3-4H2,1-
    2H3/b10-5+;
    JRURYQJSLYLRLN-BJMVGYQFSA-N    		 CCN(CC)C(=O)/C(=C/c1cc(c(c(c1)O)O)[N+](=
    O)[O-])/C#N; CCN(CC)C(=O)C(=Cc1cc(c(c(c1
    )O)O)[N+](=O)[O-])C#N; CCN(CC)C(=O)C(=Cc
    1cc(O)c(O)c(c1)[N+]([O-])=O)C#N; CCN(CC)
    C(=O)C(=C/c1cc(O)c(O)c(c1)[N+]([O-])=O)/
    C#N    		 (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide
    32997 PDA
    DB04467
    ZINC000002046812    		 33 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,7,13-14H,4-5H2,1-2H
    3,(H,15,16)(H2,17,18,19)/
    t7-/m0/s1;
    WACJCHFWJNNBPR-ZETCQYMHSA-N    		 C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)
    C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)C(=O)O
    )O; C[C@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=O
    )C(O)=O    		 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID;
    PYRIDOXYL-ALANINE-5-PHOSPHATE
    32998 PDB
    CHEMBL1513993
    ZINC000013829341    		 4 C15 H12 Cl F3 N4 O InChI=1S/C15H12ClF3N4O/c1
    -8(15(17,18)19)6-12-21-13
    -9(14(24)22-12)7-20-23(13
    )11-5-3-2-4-10(11)16/h2-5
    ,7-8H,6H2,1H3,(H,21,22,24
    )/t8-/m1/s1;
    FFPXPXOAFQCNBS-MRVPVSSYSA-N    		 FC(F)(F)C(C)CC1=NC(=O)c2c(N1)n(nc2)c3ccc
    cc3Cl; CC(CC1=NC(=O)c2cnn(c2N1)c3ccccc3C
    l)C(F)(F)F; C[CH](CC1=NC(=O)c2cnn(c2N1)c
    3ccccc3Cl)C(F)(F)F; C[C@H](CC1=NC(=O)c2c
    nn(c2N1)c3ccccc3Cl)C(F)(F)F    		 1-(2-chlorophenyl)-6-[(2R)-3,3,3-trifluoro-2-methylpropyl]-1,7-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    32999 PDC
    CHEMBL284104
    DB04267
    ZINC000000105246    		 58 C7 H5 N O4 InChI=1S/C7H5NO4/c9-6(10)
    4-2-1-3-5(8-4)7(11)12/h1-
    3H,(H,9,10)(H,11,12);
    WJJMNDUMQPNECX-UHFFFAOYSA-N    		 O=C(O)c1nc(C(=O)O)ccc1; OC(=O)c1cccc(n1)
    C(O)=O; c1cc(nc(c1)C(=O)O)C(=O)O    		 PYRIDINE-2,6-DICARBOXYLIC ACID;
    DIPICOLINIC ACID
    33000 PDD
    DB01993
    ZINC000002047235    		 12 C11 H17 N2 O7 P InChI=1S/C11H17N2O7P/c1-6
    -10(14)9(4-13-7(2)11(15)1
    6)8(3-12-6)5-20-21(17,18)
    19/h3,7,13-14H,4-5H2,1-2H
    3,(H,15,16)(H2,17,18,19)/
    t7-/m1/s1;
    WACJCHFWJNNBPR-SSDOTTSWSA-N    		 C[CH](NCc1c(O)c(C)ncc1CO[P](O)(O)=O)C(O)
    =O; C[C@@H](NCc1c(O)c(C)ncc1CO[P](O)(O)=
    O)C(O)=O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O
    )(O)O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)
    C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@
    H](C)C(=O)O)O    		 N-(5'-PHOSPHOPYRIDOXYL)-D-ALANINE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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