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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    36201 RXW
    CHEMBL5081717
    ZINC000169945583    		 1 C8 H9 B N2 O2 InChI=1S/C8H9BN2O2/c1-5-2
    -6-4-10-11-8(6)3-7(5)9(12
    )13/h2-4,12-13H,1H3,(H,10
    ,11);
    FVSYCXICBAFOGW-UHFFFAOYSA-N    		 Cc1cc2cn[nH]c2cc1B(O)O; B(c1cc2c(cc1C)cn
    [nH]2)(O)O    		 (5-methyl-1H-indazol-6-yl)boronic acid;
    5-Methyl-1H-indazole-6-boronic acid;
    5-METHYL-1H-INDAZOL-6-YL-6-BORONIC ACID;
    Boronic acid, B-(5-methyl-1H-indazol-6-yl)-
    36202 RXX 2 C14 H13 N7 O S InChI=1S/C14H13N7OS/c1-7-
    2-3-9(22-7)13-18-8(5-23-1
    3)4-21-6-17-10-11(15)19-1
    4(16)20-12(10)21/h2-3,5-6
    H,4H2,1H3,(H4,15,16,19,20
    );
    RYLGZXYODNRSDR-UHFFFAOYSA-N    		 Cc1ccc(o1)c2nc(cs2)Cn3cnc4c3nc(nc4N)N; C
    c1oc(cc1)c2scc(Cn3cnc4c(N)nc(N)nc34)n2;
    Nc1nc(N)nc2c1ncn2Cc1csc(n1)c1oc(C)cc1    		 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine
    36203 RXY
    ZINC000085581141    		 23 C39 H74 N O8 P InChI=1S/C39H74NO8P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-39(42)48
    -37(36-47-49(43,44)46-34-
    33-40)35-45-38(41)31-29-2
    7-25-23-21-19-16-14-12-10
    -8-6-4-2/h14,16-18,37H,3-
    13,15,19-36,40H2,1-2H3,(H
    ,43,44)/b16-14-,18-17-/t3
    7-/m1/s1;
    RAMNOXDFBNFSFC-AVWHJSSGSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCC
    CCCC=CCCCCCC)CO[P](O)(=O)OCCN; CCCCCCCCC
    =CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC
    )COP(=O)(O)OCCN; CCCCCCCC/C=C\CCCCCCCC(=
    O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=
    O)(O)OCCN; CCCCCCCC\C=C/CCCCCCCC(=O)O[C@
    H](COC(=O)CCCCCCC\C=C/CCCCCC)CO[P](O)(=O
    )OCCN; CCCCCCCC\C=C/CCCCCCCC(=O)OC(COP(=
    O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC    		 (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate
    36204 RXZ
    CHEMBL5074274    		 1 C27 H24 F3 N5 O2 InChI=1S/C27H24F3N5O2/c28
    -27(29,30)20-4-5-23(35-15
    -13-34(14-16-35)18-21-3-1
    -2-10-32-21)22(17-20)33-2
    6(36)25-7-6-24(37-25)19-8
    -11-31-12-9-19/h1-12,17H,
    13-16,18H2,(H,33,36);
    VURLRACCOCGFDB-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=
    O)c4oc(cc4)c5ccncc5)c1; c1ccnc(c1)CN2CCN
    (CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(
    F)(F)F    		 SPHINX31
    36205 RY 0 C9 H16 N3 O8 P InChI=1S/C9H16N3O8P/c10-5
    -1-2-12(9(15)11-5)8-7(14)
    6(13)4(20-8)3-19-21(16,17
    )18/h1,4,6-8,13-14H,2-3,1
    0H2,(H,11,15)(H2,16,17,18
    )/t4-,6-,7-,8-/m1/s1;
    NWPXZYGTNOANAA-XVFCMESISA-N    		 NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]2O)C(=O)N1; NC1=CCN([C@@H]2O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1; C1
    C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N
    ; C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H
    ](O2)COP(=O)(O)O)O)O)N; P(O)(OCC1OC(C(C1
    O)O)N2CC=C(NC2=O)N)(O)=O    		 5'-3,6-dihydrocytidylic acid
    36206 RY0 1 C22 H20 Cl N3 O2 S InChI=1S/C22H20ClN3O2S/c2
    3-16-5-7-18(8-6-16)28-22(
    9-2-10-22)21(27)26-17-4-1
    -3-14(11-17)15-12-19(20(2
    4)25)29-13-15/h1,3-8,11-1
    3H,2,9-10H2,(H3,24,25)(H,
    26,27);
    RSYXQFCNAHJFNA-UHFFFAOYSA-N    		 [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC
    3)Oc4ccc(cc4)Cl)/N; c1cc(cc(c1)NC(=O)C2(
    CCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N; NC(=
    N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(C
    l)cc4)c2    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
    36207 RY2
    CHEMBL5083690
    ZINC000169743645    		 1 C7 H7 B N4 O2 InChI=1S/C7H7BN4O2/c13-8(
    14)6-3-1-2-5(4-6)7-9-11-1
    2-10-7/h1-4,13-14H,(H,9,1
    0,11,12);
    XMJKBDSKRITXBW-UHFFFAOYSA-N    		 B(c1cccc(c1)c2n[nH]nn2)(O)O; OB(O)c1cccc
    (c1)c2n[nH]nn2    		 (3-(1H-tetrazol-5-yl)phenyl)boronic acid;
    [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid;
    3-(1H-Tetrazol-5-yl)phenylboronic Acid;
    3-(2H-Tetrazol-5-yl)-phenyl-boronic acid;
    3-(TETRAZOL-5-YL)PHENYLBORONIC ACID;
    Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-
    36208 RY3 1 C12 H15 N O7 InChI=1S/C12H15NO7/c1-6-9
    (14)10(15)11(16)12(19-6)2
    0-8-4-2-7(3-5-8)13(17)18/
    h2-6,9-12,14-16H,1H3/t6-,
    9-,10+,11+,12-/m0/s1;
    YILIDCGSXCGACV-UOAXWKJLSA-N    		 CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)
    O)O; C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1
    )Oc2ccc(cc2)[N+](=O)[O-])O)O)O; C[CH]1O[
    CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](
    O)[CH]1O; C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+
    ]([O-])=O)[C@H](O)[C@H](O)[C@H]1O    		 (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol
    36209 RY4
    ZINC000001494962    		 5 C8 H12 N2 O2 S InChI=1S/C8H12N2O2S/c1-13
    (11,12)10-8-4-2-7(6-9)3-5
    -8/h2-5,10H,6,9H2,1H3;
    IZJVPNBRAKIMBK-UHFFFAOYSA-N    		 C[S](=O)(=O)Nc1ccc(CN)cc1; N(S(C)(=O)=O)
    c1ccc(cc1)CN; CS(=O)(=O)Nc1ccc(cc1)CN    		 N-[4-(aminomethyl)phenyl]methanesulfonamide
    36210 RY5 1 C15 H12 Cl N3 O3 InChI=1S/C15H12ClN3O3/c16
    -10-1-2-12-9(7-10)3-5-15(
    12)13(20)19(14(21)17-15)8
    -11-4-6-22-18-11/h1-2,4,6
    -7H,3,5,8H2,(H,17,21)/t15
    -/m0/s1;
    BIZQWNOTOCHPKD-HNNXBMFYSA-N    		 Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c
    1; c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)
    Cc4ccon4; Clc1ccc2c(CC[C@]23NC(=O)N(Cc4c
    con4)C3=O)c1; c1cc2c(cc1Cl)CCC23C(=O)N(C
    (=O)N3)Cc4ccon4    		 (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
    36211 RY6 2 C18 H17 N3 O5 InChI=1S/C18H17N3O5/c19-1
    8(26)20-10-6-4-9(5-7-10)1
    6(23)21-15-11-2-1-3-14(22
    )12(11)8-13(15)17(24)25/h
    1-7,13,15,22H,8H2,(H,21,2
    3)(H,24,25)(H3,19,20,26)/
    t13-,15+/m0/s1;
    UYUBQOHPPHHZPI-DZGCQCFKSA-N    		 NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C
    (=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](
    Cc3c(O)cccc23)C(O)=O; NC(=O)Nc1ccc(cc1)C
    (=O)N[C@H]2[C@H](Cc3c(O)cccc23)C(O)=O; c
    1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)
    N)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([C@@H]2N
    C(=O)c3ccc(cc3)NC(=O)N)C(=O)O    		 (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    36212 RY7 5 C13 H25 N O8 InChI=1S/C13H25NO8/c1-4-7
    (10(18)12(20)13(21)22-4)1
    4-6-2-5(3-15)8(16)11(19)9
    (6)17/h4-21H,2-3H2,1H3/t4
    -,5-,6+,7-,8-,9+,10+,11+,
    12-,13+/m1/s1;
    PFUNPXBPUXETIR-KJEWDVBSSA-N    		 C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1
    N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2
    O; CC1C(C(C(C(O1)O)O)O)NC2CC(C(C(C2O)O)O
    )CO; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]
    2O)O)O)CO; C[CH]1O[CH](O)[CH](O)[CH](O)[
    CH]1N[CH]2C[CH](CO)[CH](O)[CH](O)[CH]2O;
    C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)
    O    		 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose
    36213 RY8 6 C19 H19 N3 O3 S2 InChI=1S/C19H19N3O3S2/c1-
    11-8-16(27(20,24)25)9-17(
    12(11)2)22-19(23)15-6-4-1
    4(5-7-15)18-10-26-13(3)21
    -18/h4-10H,1-3H3,(H,22,23
    )(H2,20,24,25);
    GGIKQVGRVUTAKR-UHFFFAOYSA-N    		 Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)
    [S](N)(=O)=O; Cc1cc(cc(c1C)NC(=O)c2ccc(c
    c2)c3csc(n3)C)S(=O)(=O)N    		 N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
    36214 RYA 2 C17 H15 F2 N5 O2 InChI=1S/C17H15F2N5O2/c1-
    4-5-24-9(2)16(26)23(3)13-
    8-20-17(22-15(13)24)21-10
    -6-11(18)14(25)12(19)7-10
    /h1,6-9,25H,5H2,2-3H3,(H,
    20,21,22)/t9-/m1/s1;
    DYKLQWQETZOVEI-SECBINFHSA-N    		 CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F
    )O)F)C; C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(
    F)c3)ncc2N(C)C1=O; C[C@H]1N(CC#C)c2nc(Nc
    3cc(F)c(O)c(F)c3)ncc2N(C)C1=O; C[C@@H]1C
    (=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F
    )C    		 (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one
    36215 RYB 2 C30 H32 Cl N5 O4 S InChI=1S/C30H32ClN5O4S/c1
    -34(2)11-12-40-24-6-4-21-
    15-33-16-27(25(21)14-24)3
    6-10-9-30(28(36)37)19-35(
    17-22-3-5-23(31)13-26(22)
    30)41(38,39)20-29(18-32)7
    -8-29/h3-6,13-16H,7-12,17
    ,19-20H2,1-2H3/t30-/m1/s1;
    FLBSSPVVUCLCOS-SSEXGKCCSA-N    		 CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)
    CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N;
    CN(C)CCOc1ccc2cncc(N3CC[C@]4(CN(Cc5ccc(C
    l)cc45)[S](=O)(=O)CC6(CC6)C#N)C3=O)c2c1;
    CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(
    Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N; CN(
    C)CCOc1ccc2cncc(N3CC[C]4(CN(Cc5ccc(Cl)cc
    45)[S](=O)(=O)CC6(CC6)C#N)C3=O)c2c1; CN(
    C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl
    )cc32)S(=O)(=O)CC2(C#N)CC2)C1=O    		 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
    36216 RYC 1 C18 H17 N3 O5 InChI=1S/C18H17N3O5/c19-1
    8(26)20-10-6-4-9(5-7-10)1
    6(23)21-15-11-2-1-3-14(22
    )12(11)8-13(15)17(24)25/h
    1-7,13,15,22H,8H2,(H,21,2
    3)(H,24,25)(H3,19,20,26)/
    t13-,15+/m1/s1;
    UYUBQOHPPHHZPI-HIFRSBDPSA-N    		 NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C
    (=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](
    Cc3c(O)cccc23)C(O)=O; c1cc2c(c(c1)O)C[C@
    H]([C@H]2NC(=O)c3ccc(cc3)NC(=O)N)C(=O)O;
    c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=
    O)N)C(=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[C@@H
    ]2[C@@H](Cc3c(O)cccc23)C(O)=O    		 (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    36217 RYD
    ZINC000000158987    		 3 C8 H9 N3 O InChI=1S/C8H9N3O/c1-11-8-
    3-2-6(5-12)4-7(8)9-10-11/
    h2-4,12H,5H2,1H3;
    HVLCKOBNGNRDPT-UHFFFAOYSA-N    		 Cn1nnc2cc(CO)ccc12; Cn1c2ccc(cc2nn1)CO (1-methylbenzotriazol-5-yl)methanol
    36218 RYE 2 C22 H25 N6 O8 S2 InChI=1S/C22H24N6O8S2/c1-
    22(2,20(34)35)36-27-14(12
    -10-38-21(23)24-12)16(29)
    25-15(19(32)33)17-26-13(1
    8(30)31)11(9-37-17)8-28-6
    -4-3-5-7-28/h3-7,10,15,17
    ,26H,8-9H2,1-2H3,(H5-,23,
    24,25,29,30,31,32,33,34,3
    5)/p+1/b27-14-/t15-,17+/m
    0/s1;
    ZFKSAQZBKJRFHB-NUYJMBSPSA-O    		 CC(C)(O\N=C(/C(=O)N[C@@H]([C@@H]1NC(=C(C
    S1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N)n3
    )C(O)=O; CC(C)(ON=C(C(=O)N[CH]([CH]1NC(=
    C(CS1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N
    )n3)C(O)=O; CC(C)(C(=O)O)ON=C(c1csc(n1)N
    )C(=O)NC(C2NC(=C(CS2)C[n+]3ccccc3)C(=O)O
    )C(=O)O; CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)
    \C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccc
    cc3)C(=O)O)C(=O)O    		 hydrolyzed ceftazidime;
    (2R)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    36219 RYF 1 C11 H8 I N5 InChI=1S/C11H8IN5/c12-7-1
    -3-8(4-2-7)16-10-9-5-15-1
    7-11(9)14-6-13-10/h1-6H,(
    H2,13,14,15,16,17);
    QSDMHOAEIDKWQL-UHFFFAOYSA-N    		 Ic1ccc(Nc2ncnc3[nH]ncc23)cc1; c1cc(ccc1N
    c2c3cn[nH]c3ncn2)I    		 ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
    36220 RYG
    ZINC000000153520    		 1 C11 H14 N2 O3 InChI=1S/C11H14N2O3/c14-1
    0-8(4-1-2-6-12-10)13-11(1
    5)9-5-3-7-16-9/h3,5,7-8H,
    1-2,4,6H2,(H,12,14)(H,13,
    15)/t8-/m1/s1;
    KMCPPIBDTMYPRI-MRVPVSSYSA-N    		 c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O; c1cc(oc
    1)C(=O)NC2CCCCNC2=O; O=C1NCCCC[C@H]1NC(=
    O)c2occc2; O=C1NCCCC[CH]1NC(=O)c2occc2    		 ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
    36221 RYH
    CHEMBL4287262
    ZINC000020297208    		 0 C14 H11 N O4 InChI=1S/C14H11NO4/c15-13
    (16)9-1-5-11(6-2-9)19-12-
    7-3-10(4-8-12)14(17)18/h1
    -8H,(H2,15,16)(H,17,18);
    FIHJPVBFFYAION-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)O; NC(=O
    )c1ccc(Oc2ccc(cc2)C(O)=O)cc1    		 4-(4-aminocarbonylphenoxy)benzoic acid
    36222 RYI 1 C14 H18 N4 O2 S InChI=1S/C14H18N4O2S/c19-
    21(20)7-4-14(9-21)3-1-6-1
    8(8-14)13-11-2-5-15-12(11
    )16-10-17-13/h2,5,10H,1,3
    -4,6-9H2,(H,15,16,17)/t14
    -/m1/s1;
    CIGPPCNTUJESTR-CQSZACIVSA-N    		 O=[S]1(=O)CC[C@@]2(CCCN(C2)c3ncnc4[nH]cc
    c34)C1; c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CCS
    (=O)(=O)C4; O=S1(=O)CCC2(CCCN(C2)c2ncnc3
    [NH]ccc32)C1; O=[S]1(=O)CC[C]2(CCCN(C2)c
    3ncnc4[nH]ccc34)C1; c1c[nH]c2c1c(ncn2)N3
    CCC[C@]4(C3)CCS(=O)(=O)C4    		 (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione
    36223 RYJ
    CHEMBL451234    		 1 C9 H9 F3 N2 O3 S InChI=1S/C9H9F3N2O3S/c10-
    9(11,12)5-14-8(15)6-1-3-7
    (4-2-6)18(13,16)17/h1-4H,
    5H2,(H,14,15)(H2,13,16,17
    );
    QTBXXSHAPCGITL-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N; N[S
    ](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F; O=S(
    =O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1    		 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
    36224 RYK 2 C24 H28 N2 O7 InChI=1S/C24H28N2O7/c1-5-
    25-24(27)26-9-8-13-10-17-
    22(33-12-32-17)23(30-4)18
    (13)19(26)21-14-6-7-16(28
    -2)20(29-3)15(14)11-31-21
    /h6-7,10,19,21H,5,8-9,11-
    12H2,1-4H3,(H,25,27)/t19-
    ,21+/m1/s1;
    VMHFTRMCCSRTML-CTNGQTDRSA-N    		 CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4O
    Cc5c4ccc(OC)c5OC; CCNC(=O)N1CCc2cc3c(c(c
    2C1C4c5ccc(c(c5CO4)OC)OC)OC)OCO3; CCNC(=
    O)N1CCc2cc3OCOc3c(OC)c2[C@@H]1[C@H]4OCc5
    c4ccc(OC)c5OC; CCNC(=O)N1CCc2cc3c(c(c2[C
    @@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3    		 (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
    36225 RYM
    ZINC000000419911    		 5 C15 H11 N3 InChI=1S/C15H11N3/c16-9-1
    2-5-7-13(8-6-12)10-18-11-
    17-14-3-1-2-4-15(14)18/h1
    -8,11H,10H2;
    KZMYEQMVROHICO-UHFFFAOYSA-N    		 N#Cc1ccc(Cn2cnc3ccccc23)cc1; c1ccc2c(c1)
    ncn2Cc3ccc(cc3)C#N    		 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
    36226 RYN
    CHEMBL1235774
    ZINC000000085378    		 1 C9 H17 N5 S InChI=1S/C9H17N5S/c1-5-10
    -7-12-8(11-6(2)3)14-9(13-
    7)15-4/h6H,5H2,1-4H3,(H2,
    10,11,12,13,14);
    RQVYBGPQFYCBGX-UHFFFAOYSA-N    		 CCNc1nc(NC(C)C)nc(SC)n1; CCNc1nc(nc(n1)S
    C)NC(C)C; S(c1nc(nc(n1)NC(C)C)NCC)C    		 N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;
    Ametryn
    36227 RYP
    ZINC000000161991    		 5 C7 H10 N2 InChI=1S/C7H10N2/c1-8-6-7
    -2-4-9-5-3-7/h2-5,8H,6H2,
    1H3;
    DNBWGFKLIBQQSL-UHFFFAOYSA-N    		 CNCc1ccncc1 ~{N}-methyl-1-pyridin-4-yl-methanamine
    36228 RYQ 1 C10 H11 N7 S InChI=1S/C10H11N7S/c1-5-1
    4-6(3-18-5)2-17-4-13-7-8(
    11)15-10(12)16-9(7)17/h3-
    4H,2H2,1H3,(H4,11,12,15,1
    6);
    INTFUQJSFGYBOV-UHFFFAOYSA-N    		 Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1; Cc1nc(cs
    1)Cn2cnc3c2nc(nc3N)N; Cc1nc(Cn2cnc3c(N)n
    c(N)nc23)cs1    		 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
    36229 RYR 1 C22 H20 F3 N3 O2 S InChI=1S/C22H20F3N3O2S/c1
    -21(2,30-17-8-6-15(7-9-17
    )22(23,24)25)20(29)28-16-
    5-3-4-13(10-16)14-11-18(1
    9(26)27)31-12-14/h3-12H,1
    -2H3,(H3,26,27)(H,28,29);
    OQVWICYACULMHT-UHFFFAOYSA-N    		 [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C
    )Oc3ccc(cc3)C(F)(F)F)/N; CC(C)(C(=O)Nc1c
    ccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)C(F)(F
    )F; CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cc
    cc(c2)c3csc(c3)C(N)=N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
    36230 RYS
    CHEMBL4762437    		 2 C16 H19 F3 N4 O3 InChI=1S/C16H19F3N4O3/c1-
    15(26)2-3-22(8-15)14-9(5-
    20)10(16(17,18)19)4-13(21
    -14)23-6-11(24)12(25)7-23
    /h4,11-12,24-26H,2-3,6-8H
    2,1H3/t11-,12+,15-/m0/s1;
    FAXXYODRCHXHTQ-ZOWXZIJZSA-N    		 C[C]1(O)CCN(C1)c2nc(cc(c2C#N)C(F)(F)F)N3
    C[CH](O)[CH](O)C3; C[C@]1(O)CCN(C1)c2nc(
    cc(c2C#N)C(F)(F)F)N3C[C@H](O)[C@H](O)C3;
    CC1(CCN(C1)c2c(c(cc(n2)N3CC(C(C3)O)O)C(
    F)(F)F)C#N)O; C[C@@]1(CCN(C1)c2c(c(cc(n2
    )N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O    		 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
    36231 RYT 1 H17 O46 P15 InChI=1S/H17O46P15/c1-47(
    2,3)33-49(7,8)35-51(11,12
    )37-53(15,16)39-55(19,20)
    41-57(23,24)43-59(27,28)4
    5-61(31,32)46-60(29,30)44
    -58(25,26)42-56(21,22)40-
    54(17,18)38-52(13,14)36-5
    0(9,10)34-48(4,5)6/h(H,7,
    8)(H,9,10)(H,11,12)(H,13,
    14)(H,15,16)(H,17,18)(H,1
    9,20)(H,21,22)(H,23,24)(H
    ,25,26)(H,27,28)(H,29,30)
    (H,31,32)(H2,1,2,3)(H2,4,
    5,6);
    NXNVLMOFLGVRFT-UHFFFAOYSA-N    		 OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O
    )OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(
    =O)(O)OP(=O)(O)O; O[P](O)(=O)O[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O[P](O)(=O)O[P](O)(O)=O    		 pentadecaphosphate;
    bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
    36232 RYU
    DB03583
    ZINC000100033334    		 1 C22 H23 N3 O5 S InChI=1S/C22H23N3O5S/c1-2
    2(28)16-4-2-3-5-18(16)23-
    20(22)19-15-12-14(6-7-17(
    15)24-21(19)27)31(29,30)2
    5-10-8-13(26)9-11-25/h2-7
    ,12-13,23,26,28H,8-11H2,1
    H3,(H,24,27)/b20-19-/t22-
    /m0/s1;
    AYOAIABDFUJDKQ-SQJPUDIVSA-N    		 CC1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=
    O)N5CCC(CC5)O)O; C[C@@]1(c2ccccc2NC1=C3c
    4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O; C[
    C]1(O)C(Nc2ccccc12)=C3C(=O)Nc4ccc(cc34)[
    S](=O)(=O)N5CCC(O)CC5; C[C@@]1(O)\C(Nc2c
    cccc12)=C3\C(=O)Nc4ccc(cc34)[S](=O)(=O)N
    5CCC(O)CC5; O=S(=O)(c4cc3\C(=C2\Nc1ccccc
    1C2(O)C)C(=O)Nc3cc4)N5CCC(O)CC5    		 (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE
    36233 RYV
    CHEMBL310253    		 1 C9 H12 N2 O3 S InChI=1S/C9H12N2O3S/c1-2-
    11-9(12)7-3-5-8(6-4-7)15(
    10,13)14/h3-6H,2H2,1H3,(H
    ,11,12)(H2,10,13,14);
    TVIHIVRFUPNIRD-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCNC(=O)
    c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)c1ccc(C(
    =O)NCC)cc1    		 N-ethyl-4-sulfamoylbenzamide
    36234 RYW
    CHEMBL4847260    		 1 C29 H31 Cl F N5 O5 InChI=1S/C29H31ClFN5O5/c1
    -16(27(38)34-25(15-37)19-
    9-20(31)12-22(10-19)40-2)
    36-14-18-4-3-17(11-23(18)
    28(36)39)26-24(30)13-32-2
    9(35-26)33-21-5-7-41-8-6-
    21/h3-4,9-13,16,21,25,37H
    ,5-8,14-15H2,1-2H3,(H,34,
    38)(H,32,33,35)/t16-,25-/
    m1/s1;
    BVRGQPJKSKKGIH-PUAOIOHZSA-N    		 COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)
    N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl;
    C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2
    Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl;
    CC(C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(c
    c3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl; COc1cc(F
    )cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3
    C2=O)c4nc(NC5CCOCC5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide;
    ASTX029
    36235 RYX
    CHEMBL75113
    ZINC000013603126    		 1 C10 H9 F5 N2 O3 S InChI=1S/C10H9F5N2O3S/c11
    -9(12,10(13,14)15)5-17-8(
    18)6-1-3-7(4-2-6)21(16,19
    )20/h1-4H,5H2,(H,17,18)(H
    2,16,19,20);
    XRWFNUPDTKOWTL-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)
    (F)F; c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(
    =O)(=O)N; O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)
    C(F)(F)F)cc1    		 N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
    36236 RYY
    CHEMBL74090
    ZINC000001748006    		 2 C10 H14 N2 O3 S InChI=1S/C10H14N2O3S/c1-2
    -7-12-10(13)8-3-5-9(6-4-8
    )16(11,14)15/h3-6H,2,7H2,
    1H3,(H,12,13)(H2,11,14,15
    );
    YWNDDZRHHBUBPB-UHFFFAOYSA-N    		 CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; O=S(=O)
    (N)c1ccc(C(=O)NCCC)cc1; CCCNC(=O)c1ccc(c
    c1)S(=O)(=O)N    		 N-propyl-4-sulfamoylbenzamide
    36237 RYZ
    CHEMBL309012
    ZINC000013603129    		 1 C11 H9 F7 N2 O3 S InChI=1S/C11H9F7N2O3S/c12
    -9(13,10(14,15)11(16,17)1
    8)5-20-8(21)6-1-3-7(4-2-6
    )24(19,22)23/h1-4H,5H2,(H
    ,20,21)(H2,19,22,23);
    NITAUHAUSHVTPT-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)
    (F)C(F)(F)F; c1cc(ccc1C(=O)NCC(C(C(F)(F)
    F)(F)F)(F)F)S(=O)(=O)N; O=S(=O)(N)c1ccc(
    C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1    		 N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
    36238 RZ0
    CHEMBL75131    		 1 C11 H16 N2 O3 S InChI=1S/C11H16N2O3S/c1-2
    -3-8-13-11(14)9-4-6-10(7-
    5-9)17(12,15)16/h4-7H,2-3
    ,8H2,1H3,(H,13,14)(H2,12,
    15,16);
    QBMVMGJMEIVTPO-UHFFFAOYSA-N    		 CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCCCNC
    (=O)c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)c1cc
    c(C(=O)NCCCC)cc1    		 N-butyl-4-sulfamoylbenzamide
    36239 RZ1
    ZINC000095920738    		 1 C12 H9 F9 N2 O3 S InChI=1S/C12H9F9N2O3S/c13
    -9(14,10(15,16)11(17,18)1
    2(19,20)21)5-23-8(24)6-1-
    3-7(4-2-6)27(22,25)26/h1-
    4H,5H2,(H,23,24)(H2,22,25
    ,26);
    OHMRMSKDZFRLDB-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F
    )(F)C(F)(F)F)cc1; N[S](=O)(=O)c1ccc(cc1)
    C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F; c1
    cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(
    F)F)S(=O)(=O)N    		 N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
    36240 RZ4
    ZINC000002168271    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-7(2,
    3)11-4-5(8)6(9)10/h5H,4,8
    H2,1-3H3,(H,9,10)/t5-/m0/
    s1;
    DDCPKNYKNWXULB-YFKPBYRVSA-N    		 CC(C)(C)OC[C@H](N)C(O)=O; O=C(O)C(N)COC(
    C)(C)C; CC(C)(C)OC[C@@H](C(=O)O)N; CC(C)
    (C)OC[CH](N)C(O)=O; CC(C)(C)OCC(C(=O)O)N    		 O-tert-butyl-L-serine
    36241 RZ5
    CHEMBL149507    		 1 C12 H18 N2 O3 S InChI=1S/C12H18N2O3S/c1-2
    -3-4-9-14-12(15)10-5-7-11
    (8-6-10)18(13,16)17/h5-8H
    ,2-4,9H2,1H3,(H,14,15)(H2
    ,13,16,17);
    KESWXTXQYSIIJQ-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1; CCCCCNC
    (=O)c1ccc(cc1)[S](N)(=O)=O; CCCCCNC(=O)c
    1ccc(cc1)S(=O)(=O)N    		 N-pentyl-4-sulfamoylbenzamide
    36242 RZ7
    ZINC000095920737    		 1 C13 H9 F11 N2 O3 S InChI=1S/C13H9F11N2O3S/c1
    4-9(15,10(16,17)11(18,19)
    12(20,21)13(22,23)24)5-26
    -8(27)6-1-3-7(4-2-6)30(25
    ,28)29/h1-4H,5H2,(H,26,27
    )(H2,25,28,29);
    UNQYCDLUSWEEGH-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F
    )(F)C(F)(F)C(F)(F)F)cc1; c1cc(ccc1C(=O)N
    CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(
    =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCC
    (F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F    		 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
    36243 RZ8
    CHEMBL72963
    ZINC000013603120    		 1 C13 H20 N2 O3 S InChI=1S/C13H20N2O3S/c1-2
    -3-4-5-10-15-13(16)11-6-8
    -12(9-7-11)19(14,17)18/h6
    -9H,2-5,10H2,1H3,(H,15,16
    )(H2,14,17,18);
    KLHBIQFDNTURJX-UHFFFAOYSA-N    		 CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCCC
    CCNC(=O)c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)
    c1ccc(C(=O)NCCCCCC)cc1    		 N-hexyl-4-sulfamoylbenzamide
    36244 RZ9 1 C13 H14 N6 O2 InChI=1S/C13H14N6O2/c20-1
    3-18-17-12(21-13)8-2-1-5-
    19(6-8)11-9-3-4-14-10(9)1
    5-7-16-11/h3-4,7-8H,1-2,5
    -6H2,(H,18,20)(H,14,15,16
    )/t8-/m0/s1;
    FSJZPCQWTVULBE-QMMMGPOBSA-N    		 c1c[nH]c2c1c(ncn2)N3CCCC(C3)C4=NNC(=O)O4
    ; O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]ccc21
    ; O=C1NN=C(O1)[CH]2CCCN(C2)c3ncnc4[nH]cc
    c34; c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)C4
    =NNC(=O)O4; O=C1NN=C(O1)[C@H]2CCCN(C2)c3
    ncnc4[nH]ccc34    		 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
    36245 RZA
    CHEMBL4798024    		 2 C15 H17 F3 N4 O3 InChI=1S/C15H17F3N4O3/c1-
    7-10(23)6-22(7)14-8(3-19)
    9(15(16,17)18)2-13(20-14)
    21-4-11(24)12(25)5-21/h2,
    7,10-12,23-25H,4-6H2,1H3/
    t7-,10+,11-,12+/m0/s1;
    HARCSJOAFSSBOB-FPQWWODTSA-N    		 CC1C(CN1c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F
    )F)C#N)O; C[CH]1[CH](O)CN1c2nc(cc(c2C#N)
    C(F)(F)F)N3C[CH](O)[CH](O)C3; C[C@H]1[C@
    H](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[C@H](
    O)[C@H](O)C3; C[C@H]1[C@@H](CN1c2c(c(cc(
    n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O    		 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
    36246 RZB
    CHEMBL4858542
    ZINC000584625831    		 1 C17 H16 Cl N5 O3 InChI=1S/C17H16ClN5O3/c18
    -12-3-7-15(8-4-12)26-14-5
    -1-11(2-6-14)17-20-22-23(
    21-17)10-13(19)9-16(24)25
    /h1-8,13H,9-10,19H2,(H,24
    ,25)/t13-/m1/s1;
    VSQILWJHLPJYGP-CYBMUJFWSA-N    		 c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc
    3)Cl; N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc
    3)cc2)CC(O)=O; c1cc(ccc1c2nnn(n2)C[C@@H]
    (CC(=O)O)N)Oc3ccc(cc3)Cl; N[C@@H](Cn1nnc
    (n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O    		 (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
    36247 RZC 1 C21 H19 Cl2 N3 O2 S InChI=1S/C21H19Cl2N3O2S/c
    1-21(2,28-15-6-7-16(22)17
    (23)10-15)20(27)26-14-5-3
    -4-12(8-14)13-9-18(19(24)
    25)29-11-13/h3-11H,1-2H3,
    (H3,24,25)(H,26,27);
    ZMABEZJRHJFFQS-UHFFFAOYSA-N    		 CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc
    3ccc(c(c3)Cl)Cl; CC(C)(Oc1ccc(Cl)c(Cl)c1
    )C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N; [H]/N=
    C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3cc
    c(c(c3)Cl)Cl)\N    		 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
    36248 RZD
    ZINC000098209382    		 1 C20 H29 N4 O6 P InChI=1S/C20H29N4O6P/c1-1
    4(25)23-16(13-30-31(27,28
    )29)12-24-10-4-7-19(24)20
    (26)21-9-8-15-11-22-18-6-
    3-2-5-17(15)18/h2-3,5-6,1
    1,16,19,22H,4,7-10,12-13H
    2,1H3,(H,21,26)(H,23,25)(
    H2,27,28,29)/t16-,19+/m1/
    s1;
    FDBFLFSQEGXOJR-APWZRJJASA-N    		 CC(=O)NC(CN1CCCC1C(=O)NCCc2c[nH]c3c2cccc
    3)COP(=O)(O)O; CC(=O)N[C@@H](CO[P](O)(O)
    =O)CN1CCC[C@H]1C(=O)NCCc2c[nH]c3ccccc23;
    CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2
    c[nH]c3c2cccc3)COP(=O)(O)O; CC(=O)N[CH](
    CO[P](O)(O)=O)CN1CCC[CH]1C(=O)NCCc2c[nH]
    c3ccccc23; O=P(O)(O)OCC(NC(=O)C)CN3C(C(=
    O)NCCc2c1ccccc1nc2)CCC3    		 (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
    36249 RZE
    CHEMBL4852381    		 1 C16 H14 Cl F N6 O3 InChI=1S/C16H14ClFN6O3/c1
    7-10-5-13(18)16(20-7-10)2
    7-12-3-1-9(2-4-12)15-21-2
    3-24(22-15)8-11(19)6-14(2
    5)26/h1-5,7,11H,6,8,19H2,
    (H,25,26)/t11-/m0/s1;
    ZEGMEJVULDALSH-NSHDSACASA-N    		 c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(
    cc(cn3)Cl)F; c1cc(ccc1c2nnn(n2)CC(CC(=O)
    O)N)Oc3c(cc(cn3)Cl)F; N[C@H](Cn1nnc(n1)c
    2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O; N[CH](C
    n1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=
    O    		 (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
    36250 RZF 2 C24 H20 Cl2 N4 O3 InChI=1S/C24H20Cl2N4O3/c1
    -27-21(31)12-29-13-24(19-
    9-16(26)4-5-17(19)22(29)3
    2)6-7-30(23(24)33)20-11-2
    8-10-14-2-3-15(25)8-18(14
    )20/h2-5,8-11H,6-7,12-13H
    2,1H3,(H,27,31)/t24-/m1/s
    1;
    JZJCSVMJFIAMQB-XMMPIXPASA-N    		 CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc
    4)Cl)c5cc(ccc5C1=O)Cl; CNC(=O)CN1CC2(CCN
    (C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)C
    l; CNC(=O)CN1C[C]2(CCN(C2=O)c3cncc4ccc(C
    l)cc34)c5cc(Cl)ccc5C1=O; CNC(=O)CN1C[C@]
    2(CCN(C2=O)c3cncc4ccc(Cl)cc34)c5cc(Cl)cc
    c5C1=O; Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=
    O)NC)C(=O)c3ccc(Cl)cc32)C1=O    		 2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    36251 RZG
    CHEMBL148763
    ZINC000000106888    		 6 C8 H9 N O4 S InChI=1S/C8H9NO4S/c1-13-8
    (10)6-2-4-7(5-3-6)14(9,11
    )12/h2-5H,1H3,(H2,9,11,12
    );
    XLOVNJUCAFIANM-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)S(=O)(=O)N; COC(=O)c1cc
    c(cc1)[S](N)(=O)=O    		 methyl 4-sulfamoylbenzoate
    36252 RZH
    ZINC000001235022    		 1 C13 H17 Br N2 InChI=1S/C13H17BrN2/c1-3-
    9-6-10(14)7-12-11(4-5-15)
    8(2)16-13(9)12/h6-7,16H,3
    -5,15H2,1-2H3;
    ACKQOFWBYVUXTK-UHFFFAOYSA-N    		 CCc1cc(cc2c1[nH]c(c2CCN)C)Br; CCc1cc(Br)
    cc2c(CCN)c(C)[nH]c12    		 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN
    36253 RZI 2 C12 H13 N7 S InChI=1S/C12H13N7S/c13-9-
    8-10(18-12(14)17-9)19(5-1
    5-8)3-7-4-20-11(16-7)6-1-
    2-6/h4-6H,1-3H2,(H4,13,14
    ,17,18);
    TXIARNZSMRYOQY-UHFFFAOYSA-N    		 Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1; Nc1nc(
    N)c2ncn(Cc3csc(n3)C4CC4)c2n1; c1c(nc(s1)
    C2CC2)Cn3cnc4c3nc(nc4N)N    		 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
    36254 RZJ
    ZINC000074941908    		 5 C10 H14 N2 O2 S InChI=1S/C10H14N2O2S/c1-1
    2-6-2-3-8-4-5-9(7-10(8)12
    )15(11,13)14/h4-5,7H,2-3,
    6H2,1H3,(H2,11,13,14);
    OUJFDUTZTPBMDN-UHFFFAOYSA-N    		 CN1CCCc2c1cc(cc2)S(=O)(=O)N; CN1CCCc2ccc
    (cc12)[S](N)(=O)=O    		 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
    36255 RZK
    CHEMBL4875329    		 1 C10 H13 N5 O InChI=1S/C10H13N5O/c1-16-
    9-4-2-8(3-5-9)10-12-14-15
    (13-10)7-6-11/h2-5H,6-7,1
    1H2,1H3;
    FHPKDNRSYHKLSG-UHFFFAOYSA-N    		 COc1ccc(cc1)c2nnn(n2)CCN; COc1ccc(cc1)c2
    nnn(CCN)n2    		 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
    36256 RZL 1 C21 H20 Br N3 O2 S InChI=1S/C21H20BrN3O2S/c1
    -21(2,27-17-8-6-15(22)7-9
    -17)20(26)25-16-5-3-4-13(
    10-16)14-11-18(19(23)24)2
    8-12-14/h3-12H,1-2H3,(H3,
    23,24)(H,25,26);
    BDZZOEARWYDXMO-UHFFFAOYSA-N    		 CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc
    3ccc(cc3)Br; [H]/N=C(/c1cc(cs1)c2cccc(c2
    )NC(=O)C(C)(C)Oc3ccc(cc3)Br)\N; CC(C)(Oc
    1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N
    )=N    		 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
    36257 RZM
    CHEMBL3786370
    ZINC000139526996    		 2 C12 H23 N O9 InChI=1S/C12H23NO9/c14-1-
    4-7(17)11(5(2-15)13-4)22-
    12-10(20)9(19)8(18)6(3-16
    )21-12/h4-20H,1-3H2/t4-,5
    -,6-,7-,8-,9+,10-,11-,12-
    /m1/s1;
    AZDBETUGBOOBRU-BBFNFCGLSA-N    		 C(C1C(C(C(N1)CO)OC2C(C(C(C(O2)CO)O)O)O)O
    )O; OC[C@H]1N[C@H](CO)[C@@H](O[C@H]2O[C@
    H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O;
    OC[CH]1N[CH](CO)[CH](O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O)[CH]1O; O(C1C(O)C(NC1C
    O)CO)C2OC(C(O)C(O)C2O)CO; C([C@@H]1[C@H]
    ([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]
    ([C@@H]([C@H](O2)CO)O)O)O)O)O    		 (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl D-glucoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl glucoside
    36258 RZN
    CHEMBL4850613
    ZINC000000346020    		 1 C13 H12 O2 InChI=1S/C13H12O2/c14-10-
    11-6-8-13(9-7-11)15-12-4-
    2-1-3-5-12/h1-9,14H,10H2;
    FEOMFFKZOZMBKD-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)CO; OCc1ccc(Oc2cccc
    c2)cc1    		 (4-phenoxyphenyl)methanol
    36259 RZO 1 C6 H12 Cl2 O7 P2 InChI=1S/C6H12Cl2O7P2/c1-
    5(4-9)2-3-15-17(13,14)6(7
    ,8)16(10,11)12/h2,9H,3-4H
    2,1H3,(H,13,14)(H2,10,11,
    12)/b5-2+;
    ANMIMWNFRRKSMF-GORDUTHDSA-N    		 CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO; C/
    C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO; C
    C(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O;
    CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O
    )=O    		 [bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid
    36260 RZP 7 C12 H21 N O12 P2 InChI=1S/C12H21NO12P2/c1-
    7(14)13-9(3-5-11(17)18)26
    (21,25-27(22,23)24)6-8(12
    (19)20)2-4-10(15)16/h8-9H
    ,2-6H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)(H2
    ,22,23,24)/t8-,9-,26-/m1/
    s1;
    UGEFVXZLVYNKBK-IFMBPYNJSA-N    		 CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O
    )O)OP(=O)(O)O; CC(=O)N[C@@H](CCC(O)=O)[P
    @@](=O)(C[C@@H](CCC(O)=O)C(O)=O)O[P](O)(
    O)=O; CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH]
    (CCC(O)=O)C(O)=O)O[P](O)(O)=O; CC(=O)N[C
    @@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O
    )C(=O)O)OP(=O)(O)O    		 (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
    36261 RZR 1 C19 H19 N3 O4 InChI=1S/C19H19N3O4/c1-20
    -19(26)21-13-8-6-11(7-9-1
    3)17(23)22-16-14-5-3-2-4-
    12(14)10-15(16)18(24)25/h
    2-9,15-16H,10H2,1H3,(H,22
    ,23)(H,24,25)(H2,20,21,26
    )/t15-,16-/m0/s1;
    BAKOSBATOMEZBB-HOTGVXAUSA-N    		 CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccc
    cc23)C(O)=O; CNC(=O)Nc1ccc(cc1)C(=O)NC2c
    3ccccc3CC2C(=O)O; CNC(=O)Nc1ccc(cc1)C(=O
    )N[C@H]2c3ccccc3C[C@@H]2C(=O)O; CNC(=O)N
    c1ccc(cc1)C(=O)N[C@@H]2[C@H](Cc3ccccc23)
    C(O)=O; CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc
    c2CC1C(=O)O    		 (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
    36262 RZS
    ZINC000019483176    		 6 C8 H9 N3 InChI=1S/C8H9N3/c1-2-10-8
    -4-3-7(5-9)6-11-8/h3-4,6H
    ,2H2,1H3,(H,10,11);
    MVJDUNKELBBNKM-UHFFFAOYSA-N    		 CCNc1ccc(cn1)C#N 6-(ethylamino)pyridine-3-carbonitrile
    36263 RZT 1 C24 H25 Cl N4 O2 S InChI=1S/C24H25ClN4O2S/c2
    5-17-4-6-20(7-5-17)31-24(
    10-8-18(26)9-11-24)23(30)
    29-19-3-1-2-15(12-19)16-1
    3-21(22(27)28)32-14-16/h1
    -7,12-14,18H,8-11,26H2,(H
    3,27,28)(H,29,30)/t18-,24
    +;
    YXEQPZNNSMUOEW-OWWJJEGGSA-N    		 N[C@H]1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc
    3cccc(c3)c4csc(c4)C(N)=N; N[CH]1CC[C](CC
    1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c
    4)C(N)=N; c1cc(cc(c1)NC(=O)C2(CCC(CC2)N)
    Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N; [H]/N=C(/
    c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC(CC3)N)Oc
    4ccc(cc4)Cl)\N    		 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
    36264 RZU 4 C26 H23 Cl N4 O3 InChI=1S/C26H23ClN4O3/c1-
    28-23(33)26(8-9-26)31-15-
    25(20-12-17(27)6-7-19(20)
    22(31)32)10-11-30(24(25)3
    4)21-14-29-13-16-4-2-3-5-
    18(16)21/h2-7,12-14H,8-11
    ,15H2,1H3,(H,28,33)/t25-/
    m1/s1;
    FLEUPKADUSMVNQ-RUZDIDTESA-N    		 CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc
    cc5)c6cc(ccc6C2=O)Cl; CNC(=O)C1(CC1)N2C[
    C@]3(CCN(C3=O)c4cncc5ccccc45)c6cc(Cl)ccc
    6C2=O; CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cn
    cc3ccccc32)c2cc(Cl)ccc2C1=O; CNC(=O)C1(C
    C1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc
    (ccc6C2=O)Cl; CNC(=O)C1(CC1)N2C[C]3(CCN(
    C3=O)c4cncc5ccccc45)c6cc(Cl)ccc6C2=O    		 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
    36265 RZV
    ZINC000096273092    		 1 C12 H20 N O9 P InChI=1S/C12H20NO9P/c1-7(
    14)13-9(3-5-11(17)18)23(2
    1,22)6-8(12(19)20)2-4-10(
    15)16/h8-9H,2-6H2,1H3,(H,
    13,14)(H,15,16)(H,17,18)(
    H,19,20)(H,21,22)/t8-,9-/
    m1/s1;
    ZYUHYZCJHIQCIO-RKDXNWHRSA-N    		 CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC
    (=O)O)C(=O)O)O; CC(=O)N[CH](CCC(O)=O)[P]
    (O)(=O)C[CH](CCC(O)=O)C(O)=O; CC(=O)N[C@
    @H](CCC(O)=O)[P](O)(=O)C[C@@H](CCC(O)=O)
    C(O)=O; CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=
    O)O)C(=O)O)O    		 (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
    36266 RZW
    CHEMBL449065
    ZINC000040829644    		 6 C14 H17 N O4 InChI=1S/C14H17NO4/c1-8-6
    -11(16)15(2)13-9(17-3)7-1
    0(18-4)14(19-5)12(8)13/h6
    -7H,1-5H3;
    PJUNWPXRLZUYPB-UHFFFAOYSA-N    		 O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C; COc1c
    c(OC)c2N(C)C(=O)C=C(C)c2c1OC; CC1=CC(=O)
    N(c2c1c(c(cc2OC)OC)OC)C    		 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
    36267 RZX
    CHEMBL1615209
    DB13762
    ZINC000001530935    		 1 C18 H21 N3 O3 S InChI=1S/C18H21N3O3S/c1-1
    3-16(19-9-8-17(13)24-11-5
    -10-23-2)12-25(22)18-20-1
    4-6-3-4-7-15(14)21-18/h3-
    4,6-9H,5,10-12H2,1-2H3,(H
    ,20,21)/t25-/m1/s1;
    YREYEVIYCVEVJK-RUZDIDTESA-N    		 Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC
    COC; COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3
    n2)c1C; O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC
    )c3C; Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)O
    CCCOC; COCCCOc1ccnc(C[S@@](=O)c2[nH]c3cc
    ccc3n2)c1C    		 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole;
    Rabeprazole
    36268 RZY 1 C10 H19 N O10 P2 InChI=1S/C10H19NO10P2/c1-
    6(12)11-7(2)22(17,21-23(1
    8,19)20)5-8(10(15)16)3-4-
    9(13)14/h7-8H,3-5H2,1-2H3
    ,(H,11,12)(H,13,14)(H,15,
    16)(H2,18,19,20)/t7-,8+,2
    2+/m0/s1;
    LWXGQCMUFYLATN-GADVLXDNSA-N    		 C[C@@H](NC(C)=O)[P@@](=O)(C[C@@H](CCC(O)
    =O)C(O)=O)O[P](O)(O)=O; C[C@@H](NC(=O)C)
    [P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)
    (O)O; CC(NC(=O)C)P(=O)(CC(CCC(=O)O)C(=O)
    O)OP(=O)(O)O; C[CH](NC(C)=O)[P](=O)(C[CH
    ](CCC(O)=O)C(O)=O)O[P](O)(O)=O    		 (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
    36269 RZZ
    CHEMBL4539935
    ZINC000169807767    		 1 C8 H7 B O4 InChI=1S/C8H7BO4/c10-8(11
    )5-1-2-6-4-13-9(12)7(6)3-
    5/h1-3,12H,4H2,(H,10,11);
    VXDGEAYKTHEYPI-UHFFFAOYSA-N    		 B1(c2cc(ccc2CO1)C(=O)O)O; OB1OCc2ccc(cc1
    2)C(O)=O    		 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid;
    1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid;
    1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid;
    5-Carboxybenzoboroxole;
    2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy-
    36270 S 0 S InChI=1/H2S/h1H2;
    RWSOTUBLDIXVET-UHFFFAOYAJ    		 S; [S] SULFUR ATOM
    36271 S00
    CHEMBL1229261
    ZINC000058581013    		 1 C29 H39 N5 O4 S InChI=1S/C29H39N5O4S/c30-
    27(31)24-15-13-22(14-16-2
    4)19-32-28(35)26-12-7-17-
    34(26)29(36)25(18-21-8-3-
    1-4-9-21)33-39(37,38)20-2
    3-10-5-2-6-11-23/h2,5-6,1
    0-11,13-16,21,25-26,33H,1
    ,3-4,7-9,12,17-20H2,(H3,3
    0,31)(H,32,35)/t25-,26+/m
    1/s1;
    DJNNZKJZFCRFRX-FTJBHMTQSA-N    		 NC(=N)c1ccc(CNC(=O)[CH]2CCCN2C(=O)[CH](C
    C3CCCCC3)N[S](=O)(=O)Cc4ccccc4)cc1; c1cc
    c(cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC
    3C(=O)NCc4ccc(cc4)C(=N)N; NC(=N)c1ccc(CN
    C(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N
    [S](=O)(=O)Cc4ccccc4)cc1; O=C(NCc1ccc(C(
    =[N@H])N)cc1)C4N(C(=O)C(NS(=O)(=O)Cc2ccc
    cc2)CC3CCCCC3)CCC4; [H]/N=C(/c1ccc(cc1)C
    NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)
    NS(=O)(=O)Cc4ccccc4)\\N    		 N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
    36272 S01
    CHEMBL334635
    ZINC000000601987    		 0 C27 H26 Cl N3 O InChI=1S/C27H26ClN3O/c1-1
    8-14-22-3-2-21-16-23(28)4
    -5-24(21)26(27(22)30-17-1
    8)20-8-12-31(13-9-20)25(3
    2)15-19-6-10-29-11-7-19/h
    4-7,10-11,14,16-17H,2-3,8
    -9,12-13,15H2,1H3;
    KJDFLBHKZQUEFX-UHFFFAOYSA-N    		 O=C(N4CC\C(=C2/c1ccc(Cl)cc1CCc3cc(cnc23)
    C)CC4)Cc5ccncc5; Cc1cc2c(nc1)C(=C3CCN(CC
    3)C(=O)Cc4ccncc4)c5ccc(cc5CC2)Cl; Cc1cnc
    2c(CCc3cc(Cl)ccc3C2=C4CCN(CC4)C(=O)Cc5cc
    ncc5)c1    		 1-[4-(8-CHLORO-3-METHYL-5,6-DIHYDRO-BENZO[5,6]CYCLOHEPTA[1,2-B]PYRIDIN-11-YLIDENE)-PIPERIDIN-1-YL]-2-PYRIDIN-4-YL-ETHANONE
    36273 S02 0 C18 H31 O7 P InChI=1S/C18H31O7P/c19-11
    -12-23-17-7-3-15(4-8-17)1
    -2-16-5-9-18(10-6-16)24-1
    3-14-25-26(20,21)22/h1-2,
    17-19H,3-14H2,(H2,20,21,2
    2)/b15-1-,16-2-/t17-,18-/
    m1/s1;
    OZTBGMTXOWWCDF-SEQCRYNPSA-N    		 OCCO[CH]1CC[C](CC1)=[CH][CH]=[C]2CC[CH](
    CC2)OCCO[P](O)(O)=O; O=P(O)(O)OCCOC2CC/C
    (=C/C=C1\CCC(OCCO)CC1)CC2; OCCO[CH]1CC[C
    @@](CC1)=[CH][CH]=[C@@]2CC[CH](CC2)OCCO[
    P](O)(O)=O; C1CC(=CC=C2CCC(CC2)OCCOP(=O)
    (O)O)CCC1OCCO    		 PHOSPHORIC ACID MONO-[2-(4-{2-[4-(2-HYDROXY-ETHOXY)-CYCLOHEXYLIDENE]-ETHYLIDENE}-CYCLOHEXYLOXY) -ETHYL] ESTER;
    STILBENEDIETHER NUCLEOTIDE LINKER
    36274 S03
    ZINC000016051706    		 2 C25 H27 N5 O2 InChI=1S/C25H27N5O2/c1-32
    -21-4-2-3-18(13-21)22-15-
    30(25-23(22)24(26)27-16-2
    8-25)19-7-5-17(6-8-19)14-
    29-11-9-20(31)10-12-29/h2
    -8,13,15-16,20,31H,9-12,1
    4H2,1H3,(H2,26,27,28);
    WUYMUVBIVVABRN-UHFFFAOYSA-N    		 COc1cccc(c1)c2cn(c3ccc(CN4CCC(O)CC4)cc3)
    c5ncnc(N)c25; COc1cccc(c1)c2cn(c3c2c(ncn
    3)N)c4ccc(cc4)CN5CCC(CC5)O; O(c1cccc(c1)
    c3c2c(ncnc2n(c3)c4ccc(cc4)CN5CCC(O)CC5)N
    )C    		 1-{4-[4-AMINO-5-(3-METHOXYPHENYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL]BENZYL}PIPERIDIN-4-OL
    36275 S04
    CHEMBL1229262
    ZINC000058538468    		 1 C29 H39 Cl N4 O4 S InChI=1S/C29H39ClN4O4S/c3
    0-25-14-13-23(18-31)24(17
    -25)19-32-28(35)27-12-7-1
    5-34(27)29(36)26(16-21-8-
    3-1-4-9-21)33-39(37,38)20
    -22-10-5-2-6-11-22/h2,5-6
    ,10-11,13-14,17,21,26-27,
    33H,1,3-4,7-9,12,15-16,18
    -20,31H2,(H,32,35)/t26-,2
    7+/m1/s1;
    SMGIPPNIBFQJBW-SXOMAYOGSA-N    		 NCc1ccc(Cl)cc1CNC(=O)[CH]2CCCN2C(=O)[CH]
    (CC3CCCCC3)N[S](=O)(=O)Cc4ccccc4; c1ccc(
    cc1)CS(=O)(=O)NC(CC2CCCCC2)C(=O)N3CCCC3C
    (=O)NCc4cc(ccc4CN)Cl; NCc1ccc(Cl)cc1CNC(
    =O)[C@@H]2CCCN2C(=O)[C@@H](CC3CCCCC3)N[S
    ](=O)(=O)Cc4ccccc4; c1ccc(cc1)CS(=O)(=O)
    N[C@H](CC2CCCCC2)C(=O)N3CCC[C@H]3C(=O)NC
    c4cc(ccc4CN)Cl; O=C(NCc1cc(Cl)ccc1CN)C4N
    (C(=O)C(NS(=O)(=O)Cc2ccccc2)CC3CCCCC3)CC
    C4    		 N-(benzylsulfonyl)-3-cyclohexyl-D-alanyl-N-[2-(aminomethyl)-5-chlorobenzyl]-L-prolinamide
    36276 S05
    CHEMBL1761844
    ZINC000071318598    		 4 C18 H22 N4 O InChI=1S/C18H22N4O/c23-18
    (22-9-3-5-15-4-1-2-6-17(1
    5)22)21-10-7-14(8-11-21)1
    6-12-19-13-20-16/h1-2,4,6
    ,12-14H,3,5,7-11H2,(H,19,
    20);
    UTSIHHDNMUZNMG-UHFFFAOYSA-N    		 c1ccc2c(c1)CCCN2C(=O)N3CCC(CC3)c4cnc[nH]
    4; O=C(N2c1ccccc1CCC2)N4CCC(c3cncn3)CC4;
    O=C(N1CCC(CC1)c2[nH]cnc2)N3CCCc4ccccc34    		 3,4-dihydroquinolin-1(2H)-yl[4-(1H-imidazol-5-yl)piperidin-1-yl]methanone
    36277 S06
    DB08500
    ZINC000038965477    		 1 C18 H21 N O6 InChI=1S/C18H21NO6/c20-9-
    14-15(21)16(22)17(23)18(2
    4-14)8-13(19-25-18)12-6-5
    -10-3-1-2-4-11(10)7-12/h1
    -7,13-17,19-23H,8-9H2/t13
    -,14+,15+,16-,17+,18+/m0/
    s1;
    ZCJBDRSKHARECB-PYTCMNEWSA-N    		 OC[C@H]1O[C@@]2(C[C@H](NO2)c3ccc4ccccc4c
    3)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O[C]
    2(C[CH](NO2)c3ccc4ccccc4c3)[CH](O)[CH](O
    )[CH]1O; O1C(C(O)C(O)C(O)C14ONC(c3cc2ccc
    cc2cc3)C4)CO; c1ccc2cc(ccc2c1)C3CC4(C(C(
    C(C(O4)CO)O)O)O)ON3; c1ccc2cc(ccc2c1)C3C
    [C@]4([C@@H]([C@H]([C@@H]([C@H](O4)CO)O)
    O)O)ON3    		 (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(2-naphthyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol;
    (1R)-3'-(2-naphthyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
    36278 S07
    CHEMBL394091
    ZINC000000444937    		 3 C14 H19 N O3 InChI=1S/C14H19NO3/c1-11-
    3-4-13(12(2)9-11)18-10-14
    (16)15-5-7-17-8-6-15/h3-4
    ,9H,5-8,10H2,1-2H3;
    SPKPARPPRVMDOW-UHFFFAOYSA-N    		 Cc1ccc(c(c1)C)OCC(=O)N2CCOCC2; Cc1ccc(OC
    C(=O)N2CCOCC2)c(C)c1    		 2-(2,4-dimethylphenoxy)-1-morpholin-4-yl-ethanone
    36279 S08 1 C18 H17 B N2 O6 InChI=1S/C18H17BN2O6/c20-
    17(24)16(10-4-2-1-3-5-10)
    21-18(25)11-6-7-12-13(8-1
    1)19(26)27-14(12)9-15(22)
    23/h1-8,14,16,26H,9H2,(H2
    ,20,24)(H,21,25)(H,22,23)
    /t14-,16+/m0/s1;
    IKQIDNCBKATNDV-GOEBONIOSA-N    		 B1(c2cc(ccc2C(O1)CC(=O)O)C(=O)NC(c3ccccc
    3)C(=O)N)O; B1(c2cc(ccc2[C@@H](O1)CC(=O)
    O)C(=O)N[C@H](c3ccccc3)C(=O)N)O; NC(=O)[
    CH](NC(=O)c1ccc2[CH](CC(O)=O)OB(O)c2c1)c
    3ccccc3; NC(=O)[C@H](NC(=O)c1ccc2[C@H](C
    C(O)=O)OB(O)c2c1)c3ccccc3    		 2-(6-(((R)-2-amino-2-oxo-1-phenylethyl)carbamoyl)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid;
    2-[(3S)-6-[[(1R)-2-azanyl-2-oxidanylidene-1-phenyl-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
    36280 S09 1 C24 H21 N3 O5 InChI=1S/C24H21N3O5/c28-2
    0-8-4-7-17-18(20)13-19(23
    (30)31)21(17)27-22(29)14-
    9-11-16(12-10-14)26-24(32
    )25-15-5-2-1-3-6-15/h1-12
    ,19,21,28H,13H2,(H,27,29)
    (H,30,31)(H2,25,26,32)/t1
    9-,21+/m1/s1;
    UCQXDGPOPJQAQB-CTNGQTDRSA-N    		 OC(=O)[CH]1Cc2c(O)cccc2[CH]1NC(=O)c3ccc(
    NC(=O)Nc4ccccc4)cc3; c1ccc(cc1)NC(=O)Nc2
    ccc(cc2)C(=O)NC3c4cccc(c4CC3C(=O)O)O; OC
    (=O)[C@@H]1Cc2c(O)cccc2[C@@H]1NC(=O)c3cc
    c(NC(=O)Nc4ccccc4)cc3; O=C(Nc1ccccc1)Nc1
    ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; c1
    ccc(cc1)NC(=O)Nc2ccc(cc2)C(=O)N[C@H]3c4c
    ccc(c4C[C@H]3C(=O)O)O    		 (1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
    36281 S0A
    ZINC000010109382    		 1 C12 H16 N2 O InChI=1S/C12H16N2O/c1-9(1
    0-7-8-10)13-12(15)14-11-5
    -3-2-4-6-11/h2-6,9-10H,7-
    8H2,1H3,(H2,13,14,15)/t9-
    /m1/s1;
    VBBOGUVAPQGDSX-SECBINFHSA-N    		 O=C(Nc1ccccc1)NC(C)C2CC2; C[C@H](C1CC1)N
    C(=O)Nc2ccccc2; CC(C1CC1)NC(=O)Nc2ccccc2
    ; C[CH](NC(=O)Nc1ccccc1)C2CC2; C[C@@H](N
    C(=O)Nc1ccccc1)C2CC2    		 1-[(1R)-1-cyclopropylethyl]-3-phenylurea
    36282 S0B
    ZINC000000527968    		 1 C12 H16 N2 S InChI=1S/C12H16N2S/c1-10-
    9-14-12(15-10)13-8-7-11-5
    -3-2-4-6-11/h2-6,10H,7-9H
    2,1H3,(H,13,14)/t10-/m1/s
    1;
    CGXLCYZPSOHWJJ-SNVBAGLBSA-N    		 C[CH]1CN=C(NCCc2ccccc2)S1; N1=C(SC(C)C1)
    NCCc2ccccc2; C[C@@H]1CN=C(NCCc2ccccc2)S1
    ; CC1CN=C(S1)NCCc2ccccc2; C[C@@H]1CN=C(S
    1)NCCc2ccccc2    		 (5R)-5-methyl-N-(2-phenylethyl)-4,5-dihydro-1,3-thiazol-2-amine
    36283 S0C
    CHEMBL3233604
    ZINC000003549666    		 1 C10 H14 N2 O S InChI=1S/C10H14N2OS/c13-9
    (7-8-3-1-2-4-8)12-10-11-5
    -6-14-10/h5-6,8H,1-4,7H2,
    (H,11,12,13);
    VVQKQIRCLCVCAT-UHFFFAOYSA-N    		 O=C(Nc1nccs1)CC2CCCC2; c1csc(n1)NC(=O)CC
    2CCCC2; O=C(CC1CCCC1)Nc2sccn2    		 2-cyclopentyl-N-(1,3-thiazol-2-yl)acetamide
    36284 S0D
    CHEMBL3233605
    ZINC000009337925    		 1 C11 H10 N4 InChI=1S/C11H10N4/c1-15-7
    -8(6-12-15)11-13-9-4-2-3-
    5-10(9)14-11/h2-7H,1H3,(H
    ,13,14);
    ILAJBGJRKOVOJZ-UHFFFAOYSA-N    		 n3cc(c1nc2c(n1)cccc2)cn3C; Cn1cc(cn1)c2[
    nH]c3ccccc3n2    		 2-(1-methyl-1H-pyrazol-4-yl)-1H-benzimidazole
    36285 S0E
    CHEMBL442384
    ZINC000002562250    		 1 C8 H5 F3 N2 S InChI=1S/C8H5F3N2S/c9-8(1
    0,11)4-1-2-5-6(3-4)14-7(1
    2)13-5/h1-3H,(H2,12,13);
    WEDYEBJLWMPPOK-UHFFFAOYSA-N    		 c1cc2c(cc1C(F)(F)F)sc(n2)N; FC(F)(F)c1cc
    c2nc(sc2c1)N; Nc1sc2cc(ccc2n1)C(F)(F)F    		 6-(trifluoromethyl)-1,3-benzothiazol-2-amine
    36286 S0F
    CHEMBL3233606
    ZINC000000137444    		 1 C10 H9 Br N2 S InChI=1S/C10H9BrN2S/c11-8
    -3-1-7(2-4-8)5-9-6-13-10(
    12)14-9/h1-4,6H,5H2,(H2,1
    2,13);
    HGWLTZOMQZIUBW-UHFFFAOYSA-N    		 Nc1sc(Cc2ccc(Br)cc2)cn1; c1cc(ccc1Cc2cnc
    (s2)N)Br; Brc1ccc(cc1)Cc2sc(nc2)N    		 5-(4-bromobenzyl)-1,3-thiazol-2-amine
    36287 S0G
    CHEMBL3233607
    ZINC000003379396    		 1 C10 H16 N4 O2 InChI=1S/C10H16N4O2/c1-13
    -8(11)7(9(15)12-10(13)16)
    14-5-3-2-4-6-14/h2-6,11H2
    ,1H3,(H,12,15,16);
    ABFVQIXFKQQEOF-UHFFFAOYSA-N    		 CN1C(=C(N2CCCCC2)C(=O)NC1=O)N; O=C1C(=C(
    N)N(C(=O)N1)C)N2CCCCC2; CN1C(=C(C(=O)NC1
    =O)N2CCCCC2)N    		 6-amino-1-methyl-5-(piperidin-1-yl)pyrimidine-2,4(1H,3H)-dione
    36288 S0H 16 C3 H9 O4 P InChI=1S/C3H9O4P/c1-3(4)2
    -8(5,6)7/h3-4H,2H2,1H3,(H
    2,5,6,7)/t3-/m0/s1;
    ZFVCONUOLQASEW-VKHMYHEASA-N    		 C[CH](O)C[P](O)(O)=O; C[C@H](O)C[P](O)(O
    )=O; CC(CP(=O)(O)O)O; C[C@@H](CP(=O)(O)O
    )O; O=P(O)(O)CC(O)C    		 (S)-2-HYDROXYPROPYLPHOSPHONIC ACID
    36289 S0I
    CHEMBL2094355
    ZINC000000226275    		 2 C15 H14 N2 O InChI=1S/C15H14N2O/c18-15
    -11-17(10-12-6-2-1-3-7-12
    )14-9-5-4-8-13(14)16-15/h
    1-9H,10-11H2,(H,16,18);
    BSCQZYGHGGBKLI-UHFFFAOYSA-N    		 c1ccc(cc1)CN2CC(=O)Nc3c2cccc3; O=C1CN(Cc
    2ccccc2)c3ccccc3N1; O=C2Nc1c(cccc1)N(C2)
    Cc3ccccc3    		 4-benzyl-3,4-dihydroquinoxalin-2(1H)-one
    36290 S0J
    ZINC000003379242    		 1 C14 H19 N3 O S InChI=1S/C14H19N3OS/c1-9-
    6-12(13-8-19-14(15)16-13)
    10(2)17(9)7-11-4-3-5-18-1
    1/h6,8,11H,3-5,7H2,1-2H3,
    (H2,15,16)/t11-/m1/s1;
    IUSOSUNODUAXAY-LLVKDONJSA-N    		 Cc1cc(c(n1CC2CCCO2)C)c3csc(n3)N; Cc1cc(c
    (n1C[C@H]2CCCO2)C)c3csc(n3)N; n3c(c1c(n(
    c(c1)C)CC2OCCC2)C)csc3N; Cc1cc(c(C)n1C[C
    H]2CCCO2)c3csc(N)n3; Cc1cc(c(C)n1C[C@H]2
    CCCO2)c3csc(N)n3    		 4-{2,5-dimethyl-1-[(2R)-tetrahydrofuran-2-ylmethyl]-1H-pyrrol-3-yl}-1,3-thiazol-2-amine
    36291 S0K
    CHEMBL3233609
    ZINC000000153993    		 1 C15 H16 N2 O2 S InChI=1S/C15H16N2O2S/c18-
    15(12-5-10-20-11-12)16-13
    -3-1-2-4-14(13)17-6-8-19-
    9-7-17/h1-5,10-11H,6-9H2,
    (H,16,18);
    SULRJGWRXWPTDW-UHFFFAOYSA-N    		 O=C(Nc1ccccc1N2CCOCC2)c3cscc3; c1ccc(c(c
    1)NC(=O)c2ccsc2)N3CCOCC3; O=C(Nc1ccccc1N
    2CCOCC2)c3ccsc3    		 N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
    36292 S0L
    CHEMBL4783726
    ZINC000114896012    		 2 C23 H21 N7 O InChI=1S/C23H21N7O/c31-23
    (20-11-19(8-9-24-20)29-12
    -21(25-13-29)15-4-5-15)27
    -17-3-1-2-16(10-17)22-28-
    26-14-30(22)18-6-7-18/h1-
    3,8-15,18H,4-7H2,(H,27,31
    );
    ZGCMQKWOUIMBEP-UHFFFAOYSA-N    		 N(c3cc(c1nncn1C2CC2)ccc3)C(=O)c4nccc(c4)
    n5cnc(c5)C6CC6; c1cc(cc(c1)NC(=O)c2cc(cc
    n2)n3cc(nc3)C4CC4)c5nncn5C6CC6; O=C(Nc1c
    ccc(c1)c2nncn2C3CC3)c4cc(ccn4)n5cnc(c5)C
    6CC6    		 4-(4-cyclopropyl-1H-imidazol-1-yl)-N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl]pyridine-2-carboxamide
    36293 S0N
    ZINC000198511424    		 22 C32 H45 N8 O20 P3 InChI=1S/C32H45N8O20P3/c1
    -32(2,26(45)29(46)36-10-9
    -22(43)35-12-11-34-21(42)
    8-7-19(41)17-5-3-4-6-18(1
    7)31(47)48)14-57-63(54,55
    )60-62(52,53)56-13-20-25(
    59-61(49,50)51)24(44)30(5
    8-20)40-16-39-23-27(33)37
    -15-38-28(23)40/h3-6,15-1
    6,20,24-26,30,44-45H,7-14
    H2,1-2H3,(H,34,42)(H,35,4
    3)(H,36,46)(H,47,48)(H,52
    ,53)(H,54,55)(H2,33,37,38
    )(H2,49,50,51)/t20-,24-,2
    5-,26+,30-/m1/s1;
    QCTNXUGGWNSKFY-HSJNEKGZSA-N    		 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCNC(=O)CCC(=O)
    c4ccccc4C(O)=O; CC(C)(COP(=O)(O)OP(=O)(O
    )OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)
    O)C(C(=O)NCCC(=O)NCCNC(=O)CCC(=O)c4ccccc
    4C(=O)O)O; CC(C)(CO[P@@](=O)(O)O[P@](=O)
    (O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3
    c2ncnc3N)O)OP(=O)(O)O)[C@H](C(=O)NCCC(=O
    )NCCNC(=O)CCC(=O)c4ccccc4C(=O)O)O; CC(C)
    (CO[P](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[C@@H](O)C(=O)NCCC(=O)NCCNC(=O)CCC(=
    O)c4ccccc4C(O)=O; O=C(O)c1ccccc1C(=O)CCC
    (=O)NCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(
    O)OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C
    4OP(=O)(O)O    		 o-succinylbenzoyl-N-coenzyme A
    36294 S0O 1 C21 H21 N3 O2 S InChI=1S/C21H21N3O2S/c1-2
    1(2,26-17-9-4-3-5-10-17)2
    0(25)24-16-8-6-7-14(11-16
    )15-12-18(19(22)23)27-13-
    15/h3-13H,1-2H3,(H3,22,23
    )(H,24,25);
    CHMMRHKUETWPKV-UHFFFAOYSA-N    		 CC(C)(Oc1ccccc1)C(=O)Nc2cccc(c2)c3csc(c3
    )C(N)=N; [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(
    =O)C(C)(C)Oc3ccccc3)\N; CC(C)(C(=O)Nc1cc
    cc(c1)c2cc(sc2)C(=N)N)Oc3ccccc3    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenoxy-propanamide
    36295 S0P
    ZINC000000127805    		 1 C9 H8 N2 O InChI=1S/C9H8N2O/c1-7(12)
    11-9-4-2-8(6-10)3-5-9/h2-
    5H,1H3,(H,11,12);
    UFKRTEWFEYWIHD-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)C#N ~{N}-(4-cyanophenyl)ethanamide
    36296 S0Q 1 C17 H20 B N3 O7 InChI=1S/C17H20BN3O7/c1-2
    0-4-5-21(9-15(20)23)14(22
    )8-19-17(26)10-2-3-11-12(
    6-10)18(27)28-13(11)7-16(
    24)25/h2-3,6,13,27H,4-5,7
    -9H2,1H3,(H,19,26)(H,24,2
    5)/t13-/m0/s1;
    WBGRQHYZWFAHOW-ZDUSSCGKSA-N    		 B1(c2cc(ccc2[C@@H](O1)CC(=O)O)C(=O)NCC(=
    O)N3CCN(C(=O)C3)C)O; B1(c2cc(ccc2C(O1)CC
    (=O)O)C(=O)NCC(=O)N3CCN(C(=O)C3)C)O; CN1
    CCN(CC1=O)C(=O)CNC(=O)c2ccc3[C@H](CC(O)=
    O)OB(O)c3c2; CN1CCN(CC1=O)C(=O)CNC(=O)c2
    ccc3[CH](CC(O)=O)OB(O)c3c2    		 2-(1-hydroxy-6-((2-(4-methyl-3-oxopiperazin-1-yl)-2-oxoethyl)carbamoyl)-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid;
    2-[(3S)-6-[[2-(4-methyl-3-oxidanylidene-piperazin-1-yl)-2-oxidanylidene-ethyl]carbamoyl]-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]ethanoic acid
    36297 S0R
    CHEMBL22902
    ZINC000000399556    		 14 C13 H17 N O3 InChI=1S/C13H17NO3/c1-9(2
    )8-11(13(16)17)14-12(15)1
    0-6-4-3-5-7-10/h3-7,9,11H
    ,8H2,1-2H3,(H,14,15)(H,16
    ,17)/t11-/m0/s1;
    POLGZPYHEPOBFG-NSHDSACASA-N    		 CC(C)C[C@H](NC(=O)c1ccccc1)C(O)=O; CC(C)
    CC(C(=O)O)NC(=O)c1ccccc1; CC(C)C[CH](NC(
    =O)c1ccccc1)C(O)=O; CC(C)C[C@@H](C(=O)O)
    NC(=O)c1ccccc1    		 (2S)-2-benzamido-4-methyl-pentanoic acid
    36298 S0S
    ZINC000000967126    		 1 C10 H14 N2 O3 S InChI=1S/C10H14N2O3S/c13-
    10-7-16(14,15)6-9(10)12-5
    -8-2-1-3-11-4-8/h1-4,9-10
    ,12-13H,5-7H2/t9-,10-/m0/
    s1;
    HNCRLYXMUJVCNN-UWVGGRQHSA-N    		 O[CH]1C[S](=O)(=O)C[CH]1NCc2cccnc2; c1cc
    (cnc1)CNC2CS(=O)(=O)CC2O; c1cc(cnc1)CN[C
    @H]2CS(=O)(=O)C[C@@H]2O; O[C@H]1C[S](=O)
    (=O)C[C@@H]1NCc2cccnc2    		 (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol
    36299 S0T 1 C24 H21 N3 O5 InChI=1S/C24H21N3O5/c28-2
    0-8-4-7-17-18(20)13-19(23
    (30)31)21(17)27-22(29)14-
    9-11-16(12-10-14)26-24(32
    )25-15-5-2-1-3-6-15/h1-12
    ,19,21,28H,13H2,(H,27,29)
    (H,30,31)(H2,25,26,32)/t1
    9-,21+/m0/s1;
    UCQXDGPOPJQAQB-PZJWPPBQSA-N    		 OC(=O)[C@H]1Cc2c(O)cccc2[C@H]1NC(=O)c3cc
    c(NC(=O)Nc4ccccc4)cc3; OC(=O)[CH]1Cc2c(O
    )cccc2[CH]1NC(=O)c3ccc(NC(=O)Nc4ccccc4)c
    c3; c1ccc(cc1)NC(=O)Nc2ccc(cc2)C(=O)NC3c
    4cccc(c4CC3C(=O)O)O; O=C(Nc1ccccc1)Nc1cc
    c(cc1)C(=O)NC1c2cccc(O)c2CC1C(=O)O; c1cc
    c(cc1)NC(=O)Nc2ccc(cc2)C(=O)N[C@@H]3c4cc
    cc(c4C[C@@H]3C(=O)O)O    		 (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
    36300 S0U 1 C21 H22 N4 O S InChI=1S/C21H22N4OS/c1-21
    (2,25-16-8-4-3-5-9-16)20(
    26)24-17-10-6-7-14(11-17)
    15-12-18(19(22)23)27-13-1
    5/h3-13,25H,1-2H3,(H3,22,
    23)(H,24,26);
    ZFUZBVHGBLQGKL-UHFFFAOYSA-N    		 [H]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C
    )Nc3ccccc3)\N; CC(C)(Nc1ccccc1)C(=O)Nc2c
    ccc(c2)c3csc(c3)C(N)=N; CC(C)(C(=O)Nc1cc
    cc(c1)c2cc(sc2)C(=N)N)Nc3ccccc3    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-phenylazanyl-propanamide
    36301 S0V
    ZINC000001403376    		 3 C7 H9 N3 O2 S InChI=1S/C7H9N3O2S/c11-7(
    6-5-13-9-8-6)10-1-3-12-4-
    2-10/h5H,1-4H2;
    BPUDGPLMUNVDOA-UHFFFAOYSA-N    		 c1c(nns1)C(=O)N2CCOCC2; O=C(N1CCOCC1)c2c
    snn2    		 morpholin-4-yl(1,2,3-thiadiazol-4-yl)methanone
    36302 S0W
    CHEMBL3819037
    ZINC000000129056    		 1 C9 H9 Cl O2 InChI=1S/C9H9ClO2/c10-8-4
    -1-7(2-5-8)3-6-9(11)12/h1
    -2,4-5H,3,6H2,(H,11,12);
    BBSLOKZINKEUCR-UHFFFAOYSA-N    		 c1cc(ccc1CCC(=O)O)Cl; OC(=O)CCc1ccc(Cl)c
    c1    		 3-(4-CHLOROPHENYL)PROPANOIC ACID
    36303 S0X 2 C27 H27 Cl N4 O2 InChI=1S/C27H27ClN4O2/c28
    -21-8-7-20-15-31(16-25(33
    )30-12-18-5-6-18)17-27(23
    (20)11-21)9-10-32(26(27)3
    4)24-14-29-13-19-3-1-2-4-
    22(19)24/h1-4,7-8,11,13-1
    4,18H,5-6,9-10,12,15-17H2
    ,(H,30,33)/t27-/m1/s1;
    RIGXBQKBYSFBJB-HHHXNRCGSA-N    		 c1ccc2c(c1)cncc2N3CCC4(C3=O)CN(Cc5c4cc(c
    c5)Cl)CC(=O)NCC6CC6; Clc1ccc2CN(CC(=O)NC
    C3CC3)C[C@]4(CCN(C4=O)c5cncc6ccccc56)c2c
    1; Clc1ccc2CN(CC(=O)NCC3CC3)C[C]4(CCN(C4
    =O)c5cncc6ccccc56)c2c1; c1ccc2c(c1)cncc2
    N3CC[C@@]4(C3=O)CN(Cc5c4cc(cc5)Cl)CC(=O)
    NCC6CC6; Clc1ccc2CN(CC3(CCN(C3=O)c3cncc4
    ccccc43)c2c1)CC(=O)NCC1CC1    		 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide
    36304 S0Y 1 C13 H10 O3 InChI=1S/C13H10O3/c1-3-11
    -10(7-13(14)15)9-6-8(2)4-
    5-12(9)16-11/h1,4-6H,7H2,
    2H3,(H,14,15);
    AXEQPNQJJUVTJZ-UHFFFAOYSA-N    		 Cc1ccc2c(c1)c(c(o2)C#C)CC(=O)O; Cc1ccc2o
    c(C#C)c(CC(O)=O)c2c1    		 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid
    36305 S0Z
    CHEMBL5093091    		 1 C17 H16 B N O5 InChI=1S/C17H16BNO5/c1-23
    -17(21)15(11-5-3-2-4-6-11
    )19-16(20)12-7-8-13-10-24
    -18(22)14(13)9-12/h2-9,15
    ,22H,10H2,1H3,(H,19,20)/t
    15-/m1/s1;
    QLGLQJGWGVNAIY-OAHLLOKOSA-N    		 COC(=O)[C@H](NC(=O)c1ccc2COB(O)c2c1)c3cc
    ccc3; COC(=O)[CH](NC(=O)c1ccc2COB(O)c2c1
    )c3ccccc3; B1(c2cc(ccc2CO1)C(=O)N[C@H](c
    3ccccc3)C(=O)OC)O; B1(c2cc(ccc2CO1)C(=O)
    NC(c3ccccc3)C(=O)OC)O    		 methyl (R)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamido)-2-phenylacetate;
    methyl (2R)-2-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonylamino]-2-phenyl-ethanoate
    36306 S10
    DB08501
    ZINC000001648938    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-3-1
    4-8(12)10-6-5-7-11-9(13)1
    5-4-2/h3-7H2,1-2H3,(H,10,
    12)(H,11,13);
    BWWHOVJFNMPUKF-UHFFFAOYSA-N    		 CCOC(=O)NCCCNC(=O)OCC; O=C(OCC)NCCCNC(=O
    )OCC    		 DIETHYL PROPANE-1,3-DIYLBISCARBAMATE
    36307 S11
    CHEMBL435128
    DB08502
    ZINC000000538635    		 1 C20 H20 Cl2 N4 O2 S InChI=1S/C20H20Cl2N4O2S/c
    1-12(2)18-19(29-16-8-14(2
    1)7-15(22)9-16)26(10-13-3
    -5-24-6-4-13)17(25-18)11-
    28-20(23)27/h3-9,12H,10-1
    1H2,1-2H3,(H2,23,27);
    YQXCVAGCMNFUMQ-UHFFFAOYSA-N    		 O=C(OCc2nc(c(Sc1cc(Cl)cc(Cl)c1)n2Cc3ccnc
    c3)C(C)C)N; CC(C)c1nc(COC(N)=O)n(Cc2ccnc
    c2)c1Sc3cc(Cl)cc(Cl)c3; CC(C)c1c(n(c(n1)
    COC(=O)N)Cc2ccncc2)Sc3cc(cc(c3)Cl)Cl    		 5-(3,5-DICHLOROPHENYL)THIO-4-ISOPROPYL-1-(PYRIDIN-4-YL-METHYL)-1H-IMIDAZOL-2-YL-METHYL CARBAMATE
    36308 S12 13 C24 H46 N O9 P InChI=1S/C24H46NO9P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-16-17-23(27)32-18-
    21(26)19-33-35(30,31)34-2
    0-22(25)24(28)29/h9-10,21
    -22,26H,2-8,11-20,25H2,1H
    3,(H,28,29)(H,30,31)/t21-
    ,22-/m0/s1;
    JZWNYZVVZXZRRH-VXKWHMMOSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OC[C@@H](CO[P@@](
    =O)(O)OC[C@@H](C(=O)O)N)O; CCCCCCCCC=CCC
    CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)O;
    CCCCCCCCC=CCCCCCCCC(=O)OC[CH](O)CO[P](O)
    (=O)OC[CH](N)C(O)=O; CCCCCCCC/C=C/CCCCCC
    CC(=O)OC[C@H](O)CO[P](O)(=O)OC[C@H](N)C(
    O)=O; O=C(O)C(N)COP(=O)(OCC(O)COC(=O)CCC
    CCCC/C=C/CCCCCCCC)O    		 O-[(S)-hydroxy{[(2S)-2-hydroxy-3-(octadec-9-enoyloxy)propyl]oxy}phosphoryl]-L-serine;
    1-oleoyl-2-hydroxy-sn-glycero-3-phospho-L-serine
    36309 S13
    DB08503
    ZINC000038965475    		 1 C15 H21 N O6 InChI=1S/C15H21NO6/c1-8-2
    -4-9(5-3-8)10-6-15(22-16-
    10)14(20)13(19)12(18)11(7
    -17)21-15/h2-5,10-14,16-2
    0H,6-7H2,1H3/t10-,11+,12+
    ,13-,14+,15+/m0/s1;
    HRCKGDOSPBFICB-MZHQWRCYSA-N    		 Cc1ccc(cc1)C2C[C@]3([C@@H]([C@H]([C@@H](
    [C@H](O3)CO)O)O)O)ON2; Cc1ccc(cc1)[C@@H]
    2C[C@]3(ON2)O[C@H](CO)[C@@H](O)[C@H](O)[
    C@H]3O; Cc1ccc(cc1)C2CC3(C(C(C(C(O3)CO)O
    )O)O)ON2; Cc1ccc(cc1)[CH]2C[C]3(ON2)O[CH
    ](CO)[CH](O)[CH](O)[CH]3O; O1C(C(O)C(O)C
    (O)C13ONC(c2ccc(cc2)C)C3)CO    		 (3S,5R,7R,8S,9S,10R)-7-(hydroxymethyl)-3-(4-methylphenyl)-1,6-dioxa-2-azaspiro[4.5]decane-8,9,10-triol;
    (1R)-3'-(4-methylphenyl)-spiro[1,5-anhydro-D-glucitol-1,5'-isoxazoline]
    36310 S14
    CHEMBL237337
    DB08504
    ZINC000014947659    		 2 C22 H25 F N6 O2 InChI=1S/C22H25FN6O2/c1-2
    7(2)21(30)19(20(24)22(31)
    28-10-9-17(23)12-28)15-5-
    3-14(4-6-15)16-7-8-18-25-
    13-26-29(18)11-16/h3-8,11
    ,13,17,19-20H,9-10,12,24H
    2,1-2H3/t17-,19-,20-/m0/s
    1;
    ZNHVIJAGMFQGMS-IHPCNDPISA-N    		 FC4CCN(C(=O)C(N)C(C(=O)N(C)C)c3ccc(c1ccc
    2ncnn2c1)cc3)C4; CN(C)C(=O)C(c1ccc(cc1)c
    2ccc3ncnn3c2)C(C(=O)N4CCC(C4)F)N; CN(C)C
    (=O)[C@H]([C@H](N)C(=O)N1CC[C@H](F)C1)c2
    ccc(cc2)c3ccc4ncnn4c3; CN(C)C(=O)[C@@H](
    c1ccc(cc1)c2ccc3ncnn3c2)[C@@H](C(=O)N4CC
    [C@@H](C4)F)N; CN(C)C(=O)[CH]([CH](N)C(=
    O)N1CC[CH](F)C1)c2ccc(cc2)c3ccc4ncnn4c3    		 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM
    36311 S16
    CHEMBL1597669
    ZINC000000395863    		 4 C14 H11 Cl N2 O3 InChI=1S/C14H11ClN2O3/c15
    -10-4-6-11(7-5-10)16-14(2
    0)17-12-3-1-2-9(8-12)13(1
    8)19/h1-8H,(H,18,19)(H2,1
    6,17,20);
    QZVLALCHSFACLK-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)Nc2ccc(cc2)Cl)C(=O)O; O
    C(=O)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1; OC(c
    1cc(ccc1)NC(Nc2ccc(Cl)cc2)=O)=O    		 3-{[(4-chlorophenyl)carbamoyl]amino}benzoic acid
    36312 S17
    CHEMBL406734
    DB08505
    ZINC000016052595    		 8 C18 H25 Br N2 O5 InChI=1S/C18H25BrN2O5/c1-
    26-18(24)15(12-13-8-10-14
    (19)11-9-13)20-16(22)6-4-
    2-3-5-7-17(23)21-25/h8-11
    ,15,25H,2-7,12H2,1H3,(H,2
    0,22)(H,21,23)/t15-/m0/s1;
    UPYGSQPRAHMDPD-HNNXBMFYSA-N    		 COC(=O)C(Cc1ccc(cc1)Br)NC(=O)CCCCCCC(=O)
    NO; COC(=O)[CH](Cc1ccc(Br)cc1)NC(=O)CCCC
    CCC(=O)NO; Brc1ccc(cc1)CC(C(=O)OC)NC(=O)
    CCCCCCC(=O)NO; COC(=O)[C@H](Cc1ccc(cc1)B
    r)NC(=O)CCCCCCC(=O)NO; COC(=O)[C@H](Cc1c
    cc(Br)cc1)NC(=O)CCCCCCC(=O)NO    		 methyl 4-bromo-N-[8-(hydroxyamino)-8-oxooctanoyl]-L-phenylalaninate
    36313 S18 1 C26 H37 Cu N9 O2 S InChI=1S/C26H36N6O2S.Cu.H
    N3/c33-24(10-2-1-9-23-25-
    22(19-35-23)30-26(34)31-2
    5)29-15-18-32(16-11-20-7-
    3-5-13-27-20)17-12-21-8-4
    -6-14-28-21;;1-3-2/h3-8,1
    3-14,22-23,25H,1-2,9-12,1
    5-19H2,(H,29,33)(H2,30,31
    ,34);;1H/q;+1;-1/t22-,23-
    ,25-;;/m0../s1;
    KONQVOWZMULWRO-HRKQCRCBSA-N    		 [Cu]N=[N+]=[NH-].O=C(CCCC[C@@H]1SC[C@@H]
    2NC(=O)N[C@H]12)NCCN(CCc3ccccn3)CCc4cccc
    n4; C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1
    C=CC=C4)N=[N+]=[NH-])CCNC(=O)CCCCC5C6C(C
    S5)NC(=O)N6; C1C[N]2(CCC3=CC=CC=[N]3[Cu]
    2([N]4=C1C=CC=C4)N=[N+]=[NH-])CCNC(=O)CC
    CC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6; [Cu]N
    =[N+]=[NH-].O=C(CCCC[CH]1SC[CH]2NC(=O)N[
    CH]12)NCCN(CCc3ccccn3)CCc4ccccn4    		 [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}ethyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)copper
    36314 S19
    CHEMBL1835071    		 2 C17 H22 N6 O2 InChI=1S/C17H22N6O2/c1-10
    -2-4-11(5-3-10)21-16-12(1
    5(19)24)8-20-17(23-16)22-
    14-6-7-25-9-13(14)18/h2-5
    ,8,13-14H,6-7,9,18H2,1H3,
    (H2,19,24)(H2,20,21,22,23
    )/t13-,14+/m0/s1;
    KBPYMFSSFLOJPH-UONOGXRCSA-N    		 Cc1ccc(cc1)Nc2c(cnc(n2)NC3CCOCC3N)C(=O)N
    ; Cc1ccc(Nc2nc(N[CH]3CCOC[CH]3N)ncc2C(N)
    =O)cc1; Cc1ccc(cc1)Nc2c(cnc(n2)N[C@@H]3C
    COC[C@@H]3N)C(=O)N; O=C(N)c1c(nc(nc1)NC2
    CCOCC2N)Nc3ccc(cc3)C; Cc1ccc(Nc2nc(N[C@@
    H]3CCOC[C@@H]3N)ncc2C(N)=O)cc1    		 2-{[(3R,4R)-3-aminotetrahydro-2H-pyran-4-yl]amino}-4-[(4-methylphenyl)amino]pyrimidine-5-carboxamide;
    GSK143
    36315 S1A
    CHEMBL1235782
    DB02859    		 6 C29 H44 O8 InChI=1S/C29H44O8/c1-18-1
    6-17-24(34-5)23(33-4)15-1
    1-10-14-22(21-12-8-7-9-13
    -21)36-28(31)20(3)29(32)2
    7(35-6)25(30)19(2)26(18)3
    7-29/h7-9,12-13,16-20,22-
    27,30,32H,10-11,14-15H2,1
    -6H3/b17-16+/t18-,19-,20+
    ,22-,23-,24+,25-,26-,27+,
    29+/m0/s1;
    WPMGNXPRKGXGBO-OFQQMTDKSA-N    		 CO[C@H]1CCCC[C@H](OC(=O)[C@@H](C)[C@@]2(
    O)O[C@@H]([C@@H](C)\C=C\[C@H]1OC)[C@@H](
    C)[C@H](O)[C@H]2OC)c3ccccc3; C[C@H]1\C=C
    \[C@H]([C@H](CCCC[C@H](OC(=O)[C@H]([C@@]
    2([C@@H]([C@H]([C@@H]([C@H]1O2)C)O)OC)O)
    C)c3ccccc3)OC)OC; CO[CH]1CCCC[CH](OC(=O)
    [CH](C)[C]2(O)O[CH]([CH](C)C=C[CH]1OC)[C
    H](C)[CH](O)[CH]2OC)c3ccccc3; O=C3OC(c1c
    cccc1)CCCCC(OC)C(OC)C=CC(C2OC(O)(C(OC)C(
    O)C2C)C3C)C; CC1C=CC(C(CCCCC(OC(=O)C(C2(
    C(C(C(C1O2)C)O)OC)O)C)c3ccccc3)OC)OC    		 SORAPHEN A
    36316 S1B
    CHEMBL5080771    		 1 C15 H19 B N2 O4 InChI=1S/C15H19BN2O4/c1-1
    5(2)14(20)17(3)6-7-18(15)
    13(19)10-4-5-11-9-22-16(2
    1)12(11)8-10/h4-5,8,21H,6
    -7,9H2,1-3H3;
    BRKQWWXXHOEPIY-UHFFFAOYSA-N    		 B1(c2cc(ccc2CO1)C(=O)N3CCN(C(=O)C3(C)C)C
    )O; CN1CCN(C(=O)c2ccc3COB(O)c3c2)C(C)(C)
    C1=O    		 4-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one;
    1,3,3-trimethyl-4-[(1-oxidanyl-3H-2,1-benzoxaborol-6-yl)carbonyl]piperazin-2-one;
    4-(1-hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carbonyl)-1,3,3-trimethylpiperazin-2-one
    36317 S1C
    CHEMBL4166145
    ZINC000016947102    		 3 C15 H13 N O3 InChI=1S/C15H13NO3/c1-10(
    17)16-14-7-5-11(6-8-14)12
    -3-2-4-13(9-12)15(18)19/h
    2-9H,1H3,(H,16,17)(H,18,1
    9);
    ZIZLPMUXPKXCNP-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)c2cccc(c2)C(=O)O; CC(=O
    )Nc1ccc(cc1)c2cccc(c2)C(O)=O    		 3-(4-acetamidophenyl)benzoic acid
    36318 S1D
    CHEMBL121838
    ZINC000002565543    		 3 C13 H9 F O2 InChI=1S/C13H9FO2/c14-12-
    6-4-9(5-7-12)10-2-1-3-11(
    8-10)13(15)16/h1-8H,(H,15
    ,16);
    YUQPLNXKGVRIAJ-UHFFFAOYSA-N    		 OC(=O)c1cccc(c1)c2ccc(F)cc2; c1cc(cc(c1)
    C(=O)O)c2ccc(cc2)F    		 3-(4-fluorophenyl)benzoic acid
    36319 S1E
    CHEMBL5075330    		 1 C22 H20 B N O3 InChI=1S/C22H20BNO3/c25-2
    2(19-11-12-20-16-27-23(26
    )21(20)13-19)24(14-17-7-3
    -1-4-8-17)15-18-9-5-2-6-1
    0-18/h1-13,26H,14-16H2;
    KHPGSFWNOIQUOW-UHFFFAOYSA-N    		 B1(c2cc(ccc2CO1)C(=O)N(Cc3ccccc3)Cc4cccc
    c4)O; OB1OCc2ccc(cc12)C(=O)N(Cc3ccccc3)C
    c4ccccc4    		 N,N-dibenzyl-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxamide;
    1-oxidanyl-N,N-bis(phenylmethyl)-3H-2,1-benzoxaborole-6-carboxamide
    36320 S1F 1 C19 H18 N2 O5 InChI=1S/C19H18N2O5/c1-26
    -19(25)20-13-8-6-11(7-9-1
    3)17(22)21-16-14-5-3-2-4-
    12(14)10-15(16)18(23)24/h
    2-9,15-16H,10H2,1H3,(H,20
    ,25)(H,21,22)(H,23,24)/t1
    5-,16+/m0/s1;
    QZUXMBWCGJKNAA-JKSUJKDBSA-N    		 COC(=O)Nc1ccc(cc1)C(=O)N[C@H]2[C@H](Cc3c
    cccc23)C(O)=O; O=C(OC)Nc1ccc(cc1)C(=O)NC
    1c2ccccc2CC1C(=O)O; COC(=O)Nc1ccc(cc1)C(
    =O)N[CH]2[CH](Cc3ccccc23)C(O)=O; COC(=O)
    Nc1ccc(cc1)C(=O)N[C@@H]2c3ccccc3C[C@@H]2
    C(=O)O; COC(=O)Nc1ccc(cc1)C(=O)NC2c3cccc
    c3CC2C(=O)O    		 (1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
    36321 S1G
    CHEMBL32051
    ZINC000000392253    		 1 C14 H13 N O2 InChI=1S/C14H13NO2/c16-14
    (17)12-6-8-13(9-7-12)15-1
    0-11-4-2-1-3-5-11/h1-9,15
    H,10H2,(H,16,17);
    NYNAMTQEBMCHNG-UHFFFAOYSA-N    		 OC(=O)c1ccc(NCc2ccccc2)cc1; c1ccc(cc1)CN
    c2ccc(cc2)C(=O)O    		 4-[(phenylmethyl)amino]benzoic acid
    36322 S1H
    DB03692
    ZINC000014880865    		 0 C19 H39 N O5 S InChI=1S/C19H39NO5S/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-16-26(23,24)25-17-
    18(20)19(21)22/h18H,2-17,
    20H2,1H3,(H,21,22)/t18-/m
    0/s1;
    NKAIXQDVYXAWPS-SFHVURJKSA-N    		 CCCCCCCCCCCCCCCC[S](=O)(=O)OC[C@H](N)C(O
    )=O; CCCCCCCCCCCCCCCC[S](=O)(=O)OC[CH](N
    )C(O)=O; CCCCCCCCCCCCCCCCS(=O)(=O)OCC(C(
    =O)O)N; CCCCCCCCCCCCCCCCS(=O)(=O)OC[C@@H
    ](C(=O)O)N; O=S(=O)(OCC(N)C(=O)O)CCCCCCC
    CCCCCCCCC    		 1-HEXADECANOSULFONYL-O-L-SERINE
    36323 S1I 1 C24 H23 F2 N3 O2 S InChI=1S/C24H23F2N3O2S/c2
    5-24(26)11-9-23(10-12-24,
    31-19-7-2-1-3-8-19)22(30)
    29-18-6-4-5-16(13-18)17-1
    4-20(21(27)28)32-15-17/h1
    -8,13-15H,9-12H2,(H3,27,2
    8)(H,29,30);
    XJIKVAPKYYLZHB-UHFFFAOYSA-N    		 c1ccc(cc1)OC2(CCC(CC2)(F)F)C(=O)Nc3cccc(
    c3)c4cc(sc4)C(=N)N; NC(=N)c1scc(c1)c2ccc
    c(NC(=O)C3(CCC(F)(F)CC3)Oc4ccccc4)c2; [H
    ]/N=C(/c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC(C
    C3)(F)F)Oc4ccccc4)\N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4,4-bis(fluoranyl)-1-phenoxy-cyclohexane-1-carboxamide
    36324 S1J
    CHEMBL242279
    ZINC000000319713    		 1 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c14-1
    1-6-10(13(17)18)3-4-12(11
    )16-8-9-2-1-5-15-7-9/h1-7
    ,16H,8,14H2,(H,17,18);
    MHWWFBSFFVDUPF-UHFFFAOYSA-N    		 Nc1cc(ccc1NCc2cccnc2)C(O)=O; c1cc(cnc1)C
    Nc2ccc(cc2N)C(=O)O    		 3-azanyl-4-(pyridin-3-ylmethylamino)benzoic acid
    36325 S1K
    CHEMBL5086425    		 1 C16 H15 B O5 InChI=1S/C16H15BO5/c18-16
    (19)9-15-13-8-12(6-7-14(1
    3)17(20)22-15)21-10-11-4-
    2-1-3-5-11/h1-8,15,20H,9-
    10H2,(H,18,19)/t15-/m0/s1;
    HVZSXJPAWAMXTG-HNNXBMFYSA-N    		 B1(c2ccc(cc2[C@@H](O1)CC(=O)O)OCc3ccccc3
    )O; OB1O[CH](CC(O)=O)c2cc(OCc3ccccc3)ccc
    12; B1(c2ccc(cc2C(O1)CC(=O)O)OCc3ccccc3)
    O; OB1O[C@@H](CC(O)=O)c2cc(OCc3ccccc3)cc
    c12    		 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)acetic acid;
    2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid
    36326 S1L 2 C31 H30 Cl N5 O3 InChI=1S/C31H30ClN5O3/c32
    -23-9-8-22-18-36(20-30(38
    )34-24-5-3-6-25(15-24)37-
    10-12-40-13-11-37)19-28(2
    7(22)14-23)31(39)35-29-17
    -33-16-21-4-1-2-7-26(21)2
    9/h1-9,14-17,28H,10-13,18
    -20H2,(H,34,38)(H,35,39)/
    t28-/m1/s1;
    SGZDWTLRWWIYQR-MUUNZHRXSA-N    		 c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(
    cc4)Cl)CC(=O)Nc5cccc(c5)N6CCOCC6; Clc1cc
    c2CN(CC(C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)
    Nc1cc(ccc1)N1CCOCC1; Clc1ccc2CN(C[CH](C(
    =O)Nc3cncc4ccccc34)c2c1)CC(=O)Nc5cccc(c5
    )N6CCOCC6; Clc1ccc2CN(C[C@@H](C(=O)Nc3cn
    cc4ccccc34)c2c1)CC(=O)Nc5cccc(c5)N6CCOCC
    6; c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc
    4)Cl)CC(=O)Nc5cccc(c5)N6CCOCC6    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    36327 S1M
    ZINC000000545533    		 1 C9 H14 N2 O4 InChI=1S/C9H14N2O4/c1-6(1
    2)11-4-3-10-9(14)7(11)5-8
    (13)15-2/h7H,3-5H2,1-2H3,
    (H,10,14)/t7-/m0/s1;
    XXDJRDKSNTXOKT-ZETCQYMHSA-N    		 CC(=O)N1CCNC(=O)[C@@H]1CC(=O)OC; COC(=O)
    C[C@@H]1N(CCNC1=O)C(C)=O; CC(=O)N1CCNC(=
    O)C1CC(=O)OC; COC(=O)C[CH]1N(CCNC1=O)C(C
    )=O    		 methyl 2-[(2~{S})-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanoate
    36328 S1N 16 C10 H16 O2 InChI=1S/C10H16O2/c1-10(7
    -5-9-12)6-3-2-4-8-11/h6,8
    -9H,2-5,7H2,1H3/b10-6+;
    AFKSPUYAXUNQPA-UXBLZVDNSA-N    		 CC(CCC=O)=CCCCC=O; C\C(CCC=O)=C/CCCC=O;
    CC(=CCCCC=O)CCC=O; C/C(=C\CCCC=O)/CCC=O    		 (~{E})-4-methylnon-4-enedial
    36329 S1O 1 C14 H17 N7 O InChI=1S/C14H17N7O/c22-8-
    10-6-21(19-18-10)11-2-1-5
    -20(7-11)14-12-3-4-15-13(
    12)16-9-17-14/h3-4,6,9,11
    ,22H,1-2,5,7-8H2,(H,15,16
    ,17)/t11-/m0/s1;
    ASNUGOSBOWLSJV-NSHDSACASA-N    		 c1c[nH]c2c1c(ncn2)N3CCCC(C3)n4cc(nn4)CO;
    OCc1cn(nn1)[CH]2CCCN(C2)c3ncnc4[nH]ccc3
    4; OCc1cn(nn1)[C@H]2CCCN(C2)c3ncnc4[nH]c
    cc34; OCc1cn(nn1)C1CN(CCC1)c1ncnc2[NH]cc
    c21; c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)n4
    cc(nn4)CO    		 {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol
    36330 S1P
    CHEMBL225155
    ZINC000008860500    		 29 C18 H38 N O5 P InChI=1S/C18H38NO5P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-18(20)17(19)16-24-
    25(21,22)23/h14-15,17-18,
    20H,2-13,16,19H2,1H3,(H2,
    21,22,23)/b15-14+/t17-,18
    +/m0/s1;
    DUYSYHSSBDVJSM-KRWOKUGFSA-N    		 CCCCCCCCCCCCC/C=C/[C@H]([C@H](COP(=O)(O)
    O)N)O; CCCCCCCCCCCCCC=CC(C(COP(=O)(O)O)N
    )O; CCCCCCCCCCCCC\C=C\[C@@H](O)[C@@H](N)
    CO[P](O)(O)=O; CCCCCCCCCCCCCC=C[CH](O)[C
    H](N)CO[P](O)(O)=O; O=P(OCC(N)C(O)/C=C/C
    CCCCCCCCCCCC)(O)O    		 (2S,3R,4E)-2-amino-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate;
    sphingosine 1-phosphate
    36331 S1Q 1 C19 H17 N3 O3 InChI=1S/C19H17N3O3/c1-22
    -18(6-3-13-7-9-20-10-8-13
    )21-16(19(22)24)11-14-4-5
    -15(23)12-17(14)25-2/h3-1
    2,23H,1-2H3/b6-3+,16-11-;
    RULMUNSYCBDHEN-KCFSPJGKSA-N    		 COc1cc(O)ccc1C=C2N=C(C=Cc3ccncc3)N(C)C2=
    O; CN1C(=NC(=Cc2ccc(cc2OC)O)C1=O)C=Cc3cc
    ncc3; CN1C(=N/C(=C\c2ccc(cc2OC)O)/C1=O)/
    C=C/c3ccncc3; COc1cc(O)ccc1\C=C2/N=C(/C=
    C/c3ccncc3)N(C)C2=O    		 (5~{Z})-5-[(2-methoxy-4-oxidanyl-phenyl)methylidene]-3-methyl-2-[(~{E})-2-pyridin-4-ylethenyl]imidazol-4-one
    36332 S1R 1 C23 H23 N3 O3 S InChI=1S/C23H23N3O3S/c24-
    21(25)20-14-17(15-30-20)1
    6-5-4-6-18(13-16)26-22(27
    )23(9-11-28-12-10-23)29-1
    9-7-2-1-3-8-19/h1-8,13-15
    H,9-12H2,(H3,24,25)(H,26,
    27);
    AZHQFGHZSPYKRK-UHFFFAOYSA-N    		 NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc
    4ccccc4)c2; c1ccc(cc1)OC2(CCOCC2)C(=O)Nc
    3cccc(c3)c4cc(sc4)C(=N)N; [H]/N=C(/c1cc(
    cs1)c2cccc(c2)NC(=O)C3(CCOCC3)Oc4ccccc4)
    \N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-phenoxy-oxane-4-carboxamide
    36333 S1S
    ZINC000150345391    		 18 C41 H46 N4 O10 InChI=1S/C41H46N4O10/c42-
    33(46)22-32-37(50)43-23-2
    4(20-28-11-7-10-25-9-2-3-
    12-29(25)28)8-6-13-30(26-
    14-16-27(17-15-26)35(38(5
    1)52)39(53)54)31(21-34(47
    )48)36(49)45-41(40(55)44-
    32)18-4-1-5-19-41/h2-3,6-
    7,9-17,24,30-32,35H,1,4-5
    ,8,18-23H2,(H2,42,46)(H,4
    3,50)(H,44,55)(H,45,49)(H
    ,47,48)(H,51,52)(H,53,54)
    /b13-6+/t24-,30+,31-,32+/
    m0/s1;
    FYIJOFSDJMOTGX-HGOOHLDYSA-N    		 O=C(O)C(C(=O)O)c1ccc(cc1)C2C=CCC(CNC(=O)
    C(NC(=O)C3(NC(=O)C2CC(=O)O)CCCCC3)CC(=O)
    N)Cc5c4ccccc4ccc5; c1ccc2c(c1)cccc2C[C@@
    H]3C\C=C\[C@@H]([C@@H](C(=O)NC4(CCCCC4)C
    (=O)NC(C(=O)NC3)CC(=O)N)CC(=O)O)c5ccc(cc
    5)C(C(=O)O)C(=O)O; c1ccc2c(c1)cccc2CC3CC
    =CC(C(C(=O)NC4(CCCCC4)C(=O)NC(C(=O)NC3)C
    C(=O)N)CC(=O)O)c5ccc(cc5)C(C(=O)O)C(=O)O
    ; NC(=O)C[C@H]1NC(=O)C2(CCCCC2)NC(=O)[C@
    @H](CC(O)=O)[C@H](\C=C\C[C@H](CNC1=O)Cc3
    cccc4ccccc34)c5ccc(cc5)C(C(O)=O)C(O)=O;
    NC(=O)C[CH]1NC(=O)C2(CCCCC2)NC(=O)[CH](C
    C(O)=O)[CH](C=CC[CH](CNC1=O)Cc3cccc4cccc
    c34)c5ccc(cc5)C(C(O)=O)C(O)=O    		 2-(4-((9S,10S,14S,Z)-18-(2-AMINO-2-OXOETHYL)-9-(CARBOXYMETHYL)-14-(NAPHTHALEN-1-YLMETHYL)-8,17,20-TRIOXO-7,16,19-TRIAZASPIRO[5.14]ICOS-11-EN-10-YL)PHENYL)MALONIC ACID
    36334 S1T
    ZINC000058655516    		 4 C15 H23 N3 O8 P2 S InChI=1S/C15H23N3O8P2S/c1
    -8-12(6-11-7-17-10(3)18-1
    5(11)16)14(9(2)19)29-13(8
    )4-5-25-28(23,24)26-27(20
    ,21)22/h7,9,19H,4-6H2,1-3
    H3,(H,23,24)(H2,16,17,18)
    (H2,20,21,22)/t9-/m0/s1;
    ORVRYSKZCUVOLA-VIFPVBQESA-N    		 Cc1c(sc(c1Cc2cnc(nc2N)C)C(C)O)CCOP(=O)(O
    )OP(=O)(O)O; O=P(O)(O)OP(=O)(O)OCCc1sc(c
    (c1C)Cc2cnc(nc2N)C)C(O)C; C[C@H](O)c1sc(
    CCO[P@@](O)(=O)O[P](O)(O)=O)c(C)c1Cc2cnc
    (C)nc2N; Cc1c(sc(c1Cc2cnc(nc2N)C)[C@H](C
    )O)CCO[P@](=O)(O)OP(=O)(O)O; C[CH](O)c1s
    c(CCO[P](O)(=O)O[P](O)(O)=O)c(C)c1Cc2cnc
    (C)nc2N    		 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1S)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE;
    2-[(1S)-1-HYDROXYETHYL]-3-DEAZA-THDP
    36335 S1U 2 C33 H35 Cl N6 O2 InChI=1S/C33H35ClN6O2/c1-
    2-38-13-15-40(16-14-38)27
    -11-9-26(10-12-27)36-32(4
    1)22-39-20-24-7-8-25(34)1
    7-29(24)30(21-39)33(42)37
    -31-19-35-18-23-5-3-4-6-2
    8(23)31/h3-12,17-19,30H,2
    ,13-16,20-22H2,1H3,(H,36,
    41)(H,37,42)/t30-/m1/s1;
    DCLQGAIWDISPHM-SSEXGKCCSA-N    		 CCN1CCN(CC1)c2ccc(cc2)NC(=O)CN3Cc4ccc(cc
    4[C@@H](C3)C(=O)Nc5cncc6c5cccc6)Cl; CCN1
    CCN(CC1)c2ccc(NC(=O)CN3C[CH](C(=O)Nc4cnc
    c5ccccc45)c6cc(Cl)ccc6C3)cc2; CCN1CCN(CC
    1)c2ccc(NC(=O)CN3C[C@@H](C(=O)Nc4cncc5cc
    ccc45)c6cc(Cl)ccc6C3)cc2; CCN1CCN(CC1)c1
    ccc(NC(=O)CN2Cc3ccc(Cl)cc3C(C2)C(=O)Nc2c
    ncc3ccccc32)cc1; CCN1CCN(CC1)c2ccc(cc2)N
    C(=O)CN3Cc4ccc(cc4C(C3)C(=O)Nc5cncc6c5cc
    cc6)Cl    		 (4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    36336 S1V
    ZINC000000165539    		 2 C8 H12 N2 O InChI=1S/C8H12N2O/c1-7(11
    )10-4-2-8(6-9)3-5-10/h8H,
    2-5H2,1H3;
    NFDGRMQIOHRQHF-UHFFFAOYSA-N    		 CC(=O)N1CCC(CC1)C#N 1-ethanoylpiperidine-4-carbonitrile
    36337 S1W
    CHEMBL2386874
    ZINC000049582255    		 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c1-22
    (2)14-6-4-8-16(10-14)24-1
    7-11-19-18(20-12-17)21-13
    -5-3-7-15(23)9-13/h3-12,2
    3H,1-2H3,(H,19,20,21);
    MFPAAKZZUIRMKR-UHFFFAOYSA-N    		 CN(C)c1cccc(c1)Oc2cnc(nc2)Nc3cccc(c3)O;
    CN(C)c1cccc(Oc2cnc(Nc3cccc(O)c3)nc2)c1    		 3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol
    36338 S1X 1 C21 H20 N2 O4 InChI=1S/C21H20N2O4/c24-1
    9(12-5-6-12)22-15-9-7-13(
    8-10-15)20(25)23-18-16-4-
    2-1-3-14(16)11-17(18)21(2
    6)27/h1-4,7-10,12,17-18H,
    5-6,11H2,(H,22,24)(H,23,2
    5)(H,26,27)/t17-,18+/m0/s
    1;
    YTJWUPQJUKAHJM-ZWKOTPCHSA-N    		 OC(=O)[CH]1Cc2ccccc2[CH]1NC(=O)c3ccc(NC(
    =O)C4CC4)cc3; OC(=O)[C@H]1Cc2ccccc2[C@H]
    1NC(=O)c3ccc(NC(=O)C4CC4)cc3; c1ccc2c(c1
    )CC(C2NC(=O)c3ccc(cc3)NC(=O)C4CC4)C(=O)O
    ; c1ccc2c(c1)C[C@@H]([C@@H]2NC(=O)c3ccc(
    cc3)NC(=O)C4CC4)C(=O)O; O=C(Nc1ccc(cc1)C
    (=O)NC1c2ccccc2CC1C(=O)O)C1CC1    		 (1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
    36339 S1Y
    ZINC000066167075    		 1 C14 H27 N5 O5 S InChI=1S/C14H27N5O5S/c15-
    5-9-18-6-1-2-11(3-7-18)16
    -14(21)19-8-4-12(13(19)10
    -20)17-25(22,23)24/h10-13
    ,17H,1-9,15H2,(H,16,21)(H
    ,22,23,24)/t11-,12+,13+/m
    0/s1;
    FVHVSTMGNMLCNC-YNEHKIRRSA-N    		 NCCN1CCC[C@@H](CC1)NC(=O)N2CC[C@@H](N[S]
    (O)(=O)=O)[C@H]2C=O; C1C[C@@H](CC[N@](C1
    )CCN)NC(=O)N2CC[C@H]([C@H]2C=O)NS(=O)(=O
    )O; NCCN1CCC[CH](CC1)NC(=O)N2CC[CH](N[S]
    (O)(=O)=O)[CH]2C=O; C1CC(CCN(C1)CCN)NC(=
    O)N2CCC(C2C=O)NS(=O)(=O)O; O=S(=O)(O)NC2
    C(C=O)N(C(=O)NC1CCCN(CCN)CC1)CC2    		 [(2S,3R)-1-{[(4S)-1-(2-aminoethyl)azepan-4-yl]carbamoyl}-2-formylpyrrolidin-3-yl]sulfamic acid
    36340 S1Z 1 C17 H18 N6 O InChI=1S/C17H18N6O/c1-2-1
    3(10-24)20-16-5-6-17-18-9
    -15(23(17)22-16)11-3-4-14
    -12(7-11)8-19-21-14/h3-9,
    13,24H,2,10H2,1H3,(H,19,2
    1)(H,20,22)/t13-/m1/s1;
    ZGMMFRHRGWCVND-CYBMUJFWSA-N    		 CCC(CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3)c[nH]n
    4; CC[C@H](CO)Nc1ccc2ncc(n2n1)c3ccc4c(c3
    )c[nH]n4; CC[CH](CO)Nc1ccc2ncc(n2n1)c3cc
    c4n[nH]cc4c3; CC[C@H](CO)Nc1ccc2ncc(n2n1
    )c3ccc4n[nH]cc4c3    		 (2~{R})-2-[[3-(2~{H}-indazol-5-yl)imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
    36341 S20
    ZINC000098209385    		 2 C22 H26 N4 O InChI=1S/C22H26N4O/c1-14-
    8-18(25-21(23)10-14)7-6-1
    6-4-3-5-17(12-16)20(27)13
    -19-9-15(2)11-22(24)26-19
    /h3-5,8-12,20,27H,6-7,13H
    2,1-2H3,(H2,23,25)(H2,24,
    26)/t20-/m0/s1;
    UYRPOLYEPACPCW-FQEVSTJZSA-N    		 Cc1cc(N)nc(CCc2cccc(c2)[C@@H](O)Cc3cc(C)
    cc(N)n3)c1; Cc1cc(nc(c1)N)CCc2cccc(c2)C(
    Cc3cc(cc(n3)N)C)O; Cc1cc(N)nc(CCc2cccc(c
    2)[CH](O)Cc3cc(C)cc(N)n3)c1; n1c(N)cc(cc
    1CCc2cccc(c2)C(O)Cc3nc(N)cc(c3)C)C; Cc1c
    c(nc(c1)N)CCc2cccc(c2)[C@H](Cc3cc(cc(n3)
    N)C)O    		 (1S)-2-(6-amino-4-methylpyridin-2-yl)-1-{3-[2-(6-amino-4-methylpyridin-2-yl)ethyl]phenyl}ethanol
    36342 S21
    CHEMBL483287
    ZINC000100718815    		 8 C10 H6 F3 N O4 InChI=1S/C10H6F3NO4/c11-1
    0(12,13)9(16)5-8(15)6-1-3
    -7(4-2-6)14(17)18/h1-4H,5
    H2;
    CDSAMNVLRSHLPN-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(cc1)C(=O)CC(=O)C(F)(F)
    F; c1cc(ccc1C(=O)CC(=O)C(F)(F)F)[N+](=O)
    [O-]; O=[N+]([O-])c1ccc(C(=O)CC(=O)C(F)(
    F)F)cc1    		 4,4,4-trifluoro-1-(4-nitrophenyl)butane-1,3-dione
    36343 S22
    CHEMBL1235786
    ZINC000058661129    		 1 C28 H33 N5 O4 S InChI=1S/C28H33N5O4S/c1-1
    8(2)38(35,36)26-7-5-4-6-2
    3(26)30-24-17-27(32-28-21
    (24)10-13-29-28)31-22-9-8
    -19(16-25(22)37-3)33-14-1
    1-20(34)12-15-33/h4-10,13
    ,16-18,20,34H,11-12,14-15
    H2,1-3H3,(H3,29,30,31,32);
    NMJMRSQTDLRCRQ-UHFFFAOYSA-N    		 CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3
    )Nc4ccc(cc4OC)N5CCC(CC5)O; O=S(=O)(c1ccc
    cc1Nc2cc(nc3c2ccn3)Nc4c(OC)cc(cc4)N5CCC(
    O)CC5)C(C)C; COc1cc(ccc1Nc2cc(Nc3ccccc3[
    S](=O)(=O)C(C)C)c4cc[nH]c4n2)N5CCC(O)CC5    		 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
    36344 S23
    CHEMBL1235787
    DB08506
    ZINC000013807005    		 1 C21 H27 N2 O5 P InChI=1S/C21H27N2O5P/c1-1
    5(22)29(27,28)14-18(12-16
    -8-4-2-5-9-16)20(24)23-19
    (21(25)26)13-17-10-6-3-7-
    11-17/h2-11,15,18-19H,12-
    14,22H2,1H3,(H,23,24)(H,2
    5,26)(H,27,28)/t15-,18-,1
    9+/m1/s1;
    MMWNOZXGYRPSCJ-LZQZEXGQSA-N    		 C[C@H](N)[P@@](=O)(C[C@@H](Cc1ccccc1)C(=
    O)N[C@@H](Cc2ccccc2)C(=O)O)O; C[CH](N)[P
    ](O)(=O)C[CH](Cc1ccccc1)C(=O)N[CH](Cc2cc
    ccc2)C(O)=O; O=P(O)(C(N)C)CC(C(=O)NC(C(=
    O)O)Cc1ccccc1)Cc2ccccc2; CC(N)P(=O)(CC(C
    c1ccccc1)C(=O)NC(Cc2ccccc2)C(=O)O)O; C[C
    @H](N)[P@@](O)(=O)C[C@@H](Cc1ccccc1)C(=O
    )N[C@@H](Cc2ccccc2)C(O)=O    		 N-{(2S)-3-[(1R)-1-aminoethyl](hydroxy)phosphoryl-2-benzylpropanoyl}-L-phenylalanine
    36345 S24
    ZINC000058650549    		 1 C7 H6 O4 S InChI=1S/C7H6O4S/c8-4-1-2
    -6(5(9)3-4)12-7(10)11/h1-
    3,8-9H,(H,10,11);
    MFTAINZKTCOZPX-UHFFFAOYSA-N    		 O=C(Sc1ccc(O)cc1O)O; OC(=O)Sc1ccc(O)cc1O
    ; c1cc(c(cc1O)O)SC(=O)O    		 S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
    36346 S25
    CHEMBL2010809
    ZINC000034840685    		 1 C20 H23 N7 O2 S InChI=1S/C20H23N7O2S/c21-
    2-4-24-19(28)15-9-14(11-2
    2-12-15)17-13-25-20(30-17
    )26-18-10-16(1-3-23-18)27
    -5-7-29-8-6-27/h1,3,9-13H
    ,2,4-8,21H2,(H,24,28)(H,2
    3,25,26);
    TWDABHIMTXVQHI-UHFFFAOYSA-N    		 c1cnc(cc1N2CCOCC2)Nc3ncc(s3)c4cc(cnc4)C(
    =O)NCCN; NCCNC(=O)c1cncc(c1)c2sc(Nc3cc(c
    cn3)N4CCOCC4)nc2; O=C(NCCN)c4cc(c1sc(nc1
    )Nc3nccc(N2CCOCC2)c3)cnc4    		 N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide
    36347 S26
    ZINC000584905673    		 1 C18 H13 Cl N2 O4 S2 InChI=1S/C18H13ClN2O4S2/c
    1-2-25-17(24)13-14(11-4-3
    -7-26-11)21(16(23)15(13)2
    2)18-20-10-6-5-9(19)8-12(
    10)27-18/h3-8,14,22H,2H2,
    1H3/t14-/m1/s1;
    PKERYICWLBJVFG-CQSZACIVSA-N    		 CCOC(=O)C1=C(O)C(=O)N([C@@H]1c2sccc2)c3s
    c4cc(Cl)ccc4n3; CCOC(=O)C1=C(C(=O)N(C1c2
    cccs2)c3nc4ccc(cc4s3)Cl)O; CCOC(=O)C1=C(
    C(=O)N([C@@H]1c2cccs2)c3nc4ccc(cc4s3)Cl)
    O; CCOC(=O)C1=C(O)C(=O)N([CH]1c2sccc2)c3
    sc4cc(Cl)ccc4n3    		 ethyl (2~{S})-1-(6-chloranyl-1,3-benzothiazol-2-yl)-4-oxidanyl-5-oxidanylidene-2-thiophen-2-yl-2~{H}-pyrrole-3-carboxylate;
    PS267
    36348 S27
    CHEMBL176602
    DB08507
    ZINC000001489206    		 1 C20 H27 N2 O3 P InChI=1S/C20H27N2O3P/c1-1
    6(2)14-19(20(23)21-24)22(
    15-17-10-6-4-7-11-17)26(3
    ,25)18-12-8-5-9-13-18/h4-
    13,16,19,24H,14-15H2,1-3H
    3,(H,21,23)/t19-,26-/m1/s
    1;
    KGUVBHLPMGERAT-NIYFSFCBSA-N    		 CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c2cc
    ccc2)C(=O)NO; CC(C)C[CH](N(Cc1ccccc1)[P]
    (C)(=O)c2ccccc2)C(=O)NO; CC(C)CC(C(=O)NO
    )N(Cc1ccccc1)P(=O)(C)c2ccccc2; CC(C)C[C@
    H](C(=O)NO)[N@@](Cc1ccccc1)[P@@](=O)(C)c
    2ccccc2; O=C(NO)C(N(P(=O)(c1ccccc1)C)Cc2
    ccccc2)CC(C)C    		 N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT-4-YL-N]-BENZYL-P-[PHENYL]-P-[METHYL]PHOSPHINAMID
    36349 S28
    CHEMBL2152430
    ZINC000095574772    		 1 C22 H27 N5 O4 S InChI=1S/C22H27N5O4S/c23-
    21(24)18-10-8-16(9-11-18)
    13-25-22(29)19-7-4-12-27(
    19)20(28)14-26-32(30,31)1
    5-17-5-2-1-3-6-17/h1-3,5-
    6,8-11,19,26H,4,7,12-15H2
    ,(H3,23,24)(H,25,29)/t19-
    /m0/s1;
    CEBNOQRCTYYHRQ-IBGZPJMESA-N    		 c1ccc(cc1)CS(=O)(=O)NCC(=O)N2CCCC2C(=O)N
    Cc3ccc(cc3)C(=N)N; [H]/N=C(/c1ccc(cc1)CN
    C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)Cc3cccc
    c3)\\N; NC(=N)c1ccc(CNC(=O)[C@@H]2CCCN2C
    (=O)CN[S](=O)(=O)Cc3ccccc3)cc1; NC(=N)c1
    ccc(CNC(=O)[CH]2CCCN2C(=O)CN[S](=O)(=O)C
    c3ccccc3)cc1; O=C(NCc1ccc(C(=[N@H])N)cc1
    )C3N(C(=O)CNS(=O)(=O)Cc2ccccc2)CCC3    		 N-(benzylsulfonyl)glycyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
    36350 S29
    CHEMBL2152431
    ZINC000095571883    		 2 C23 H29 N5 O4 S InChI=1S/C23H29N5O4S/c1-1
    6(27-33(31,32)15-18-6-3-2
    -4-7-18)23(30)28-13-5-8-2
    0(28)22(29)26-14-17-9-11-
    19(12-10-17)21(24)25/h2-4
    ,6-7,9-12,16,20,27H,5,8,1
    3-15H2,1H3,(H3,24,25)(H,2
    6,29)/t16-,20+/m1/s1;
    RXILOHGFTAPEST-UZLBHIALSA-N    		 CC(C(=O)N1CCCC1C(=O)NCc2ccc(cc2)C(=N)N)N
    S(=O)(=O)Cc3ccccc3; [H]/N=C(/c1ccc(cc1)C
    NC(=O)[C@@H]2CCCN2C(=O)[C@@H](C)NS(=O)(=
    O)Cc3ccccc3)\\N; O=C(NCc1ccc(C(=[N@H])N)
    cc1)C3N(C(=O)C(NS(=O)(=O)Cc2ccccc2)C)CCC
    3; C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CC
    C[CH]2C(=O)NCc3ccc(cc3)C(N)=N; C[C@@H](N
    [S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[C@H]2C(=
    O)NCc3ccc(cc3)C(N)=N    		 N-(benzylsulfonyl)-D-alanyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
    36351 S2A
    CHEMBL509869
    ZINC000042835812    		 0 C33 H33 N O6 InChI=1S/C33H33NO6/c1-17-
    29(36)30(37)28(34-2)32(39
    -17)40-31-22-12-13-33(25-
    16-21(38-3)10-8-18(25)9-1
    1-26(33)35)27(22)23-14-19
    -6-4-5-7-20(19)15-24(23)3
    1/h4-17,22,27-32,34,36-37
    H,1-3H3/t17-,22-,27+,28-,
    29+,30-,31+,32-,33-/m1/s1;
    JDIJVHOCLRRXFM-ILPMIGAWSA-N    		 O=C7C=Cc1ccc(OC)cc1C76C=CC5C(OC2OC(C(O)C
    (O)C2NC)C)c4cc3ccccc3cc4C56; CC1C(C(C(C(
    O1)OC2c3cc4ccccc4cc3C5C2C=CC56c7cc(ccc7C
    =CC6=O)OC)NC)O)O; CN[C@@H]1[C@@H](O)[C@@
    H](O)[C@@H](C)O[C@@H]1O[C@H]2[C@@H]3C=C[
    C@]4([C@@H]3c5cc6ccccc6cc25)C(=O)C=Cc7cc
    c(OC)cc47; CN[CH]1[CH](O)[CH](O)[CH](C)O
    [CH]1O[CH]2[CH]3C=C[C]4([CH]3c5cc6ccccc6
    cc25)C(=O)C=Cc7ccc(OC)cc47; C[C@@H]1[C@@
    H]([C@@H]([C@H]([C@H](O1)O[C@@H]2c3cc4cc
    ccc4cc3[C@@H]5[C@H]2C=C[C@]56c7cc(ccc7C=
    CC6=O)OC)NC)O)O    		 (1R,3A'S,10'S,10A'R)-7-METHOXY-2-OXO-10',10A'-DIHYDRO-2H,3A'H-SPIRO[NAPHTHALENE-1,3'-PENTALENO[1,2-B]NAPHTHALEN]-10'-YL 2,6-DIDEOXY-2-(METHYLAMINO)-ALPHA-D-GALACTOPYRANOSIDE;
    SPIROCYCLIC ALKENE
    36352 S2B 2 C16 H12 B2 O8 InChI=1S/C16H12B2O8/c19-1
    5-11-7-9(3-5-13(11)17(21,
    22)25-15)1-2-10-4-6-14-12
    (8-10)16(20)26-18(14,23)2
    4/h1-8,21-24H/q-2/b2-1+;
    SFTURCQVILCIEC-OWOJBTEDSA-N    		 O[B-]1(O)OC(=O)c2cc(C=Cc3ccc4c(c3)C(=O)O
    [B-]4(O)O)ccc12; [B-]1(c2ccc(cc2C(=O)O1)
    C=Cc3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O; O[B-
    ]1(O)OC(=O)c2cc(/C=C/c3ccc4c(c3)C(=O)O[B
    -]4(O)O)ccc12; [B-]1(c2ccc(cc2C(=O)O1)/C
    =C/c3ccc4c(c3)C(=O)O[B-]4(O)O)(O)O    		 3-[(~{E})-2-[7,7-bis(oxidanyl)-9-oxidanylidene-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-3-yl]ethenyl]-7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-9-one
    36353 S2C
    DB03731
    ZINC000195757320    		 21 C5 H13 B N O5 S InChI=1S/C5H13BNO5S/c7-4(
    5(8)9)3-13-2-1-6(10,11)12
    /h4,10-12H,1-3,7H2,(H,8,9
    )/q-1/t4-/m0/s1;
    XLVRIIJULVQAMP-BYPYZUCNSA-N    		 N[C@@H](CSCC[B-](O)(O)O)C(O)=O; O=C(O)C(
    N)CSCC[B-](O)(O)O; [B-](CCSCC(C(=O)O)N)(
    O)(O)O; [B-](CCSC[C@@H](C(=O)O)N)(O)(O)O
    ; N[CH](CSCC[B-](O)(O)O)C(O)=O    		 S-2-(BORONOETHYL)-L-CYSTEINE
    36354 S2D
    CHEMBL55771
    DB08508
    ZINC000082068115    		 2 C10 H11 N O3 InChI=1S/C10H11NO3/c1-7(1
    0(13)14)11-9(12)8-5-3-2-4
    -6-8/h2-7H,1H3,(H,11,12)(
    H,13,14)/t7-/m1/s1;
    UAQVHNZEONHPQG-SSDOTTSWSA-N    		 CC(C(=O)O)NC(=O)c1ccccc1; C[C@H](C(=O)O)
    NC(=O)c1ccccc1; O=C(NC(C(=O)O)C)c1ccccc1
    ; C[CH](NC(=O)c1ccccc1)C(O)=O; C[C@@H](N
    C(=O)c1ccccc1)C(O)=O    		 N-BENZOYL-D-ALANINE
    36355 S2E 1 C23 H22 Cl N3 O3 S InChI=1S/C23H22ClN3O3S/c2
    4-17-4-6-19(7-5-17)30-23(
    8-10-29-11-9-23)22(28)27-
    18-3-1-2-15(12-18)16-13-2
    0(21(25)26)31-14-16/h1-7,
    12-14H,8-11H2,(H3,25,26)(
    H,27,28);
    MJMUMNHXDJSYIF-UHFFFAOYSA-N    		 c1cc(cc(c1)NC(=O)C2(CCOCC2)Oc3ccc(cc3)Cl
    )c4cc(sc4)C(=N)N; [H]/N=C(/c1cc(cs1)c2cc
    cc(c2)NC(=O)C3(CCOCC3)Oc4ccc(cc4)Cl)\N;
    NC(=N)c1scc(c1)c2cccc(NC(=O)C3(CCOCC3)Oc
    4ccc(Cl)cc4)c2    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-4-(4-chloranylphenoxy)oxane-4-carboxamide
    36356 S2F
    CHEMBL5315132
    ZINC000034059866    		 1 C22 H28 F2 O5 InChI=1S/C22H28F2O5/c23-2
    2(24,15-29-16-8-4-3-5-9-1
    6)13-12-18-17(19(25)14-20
    (18)26)10-6-1-2-7-11-21(2
    7)28/h1,3-6,8-9,12-13,17-
    20,25-26H,2,7,10-11,14-15
    H2,(H,27,28)/b6-1-,13-12+
    /t17-,18-,19+,20-/m1/s1;
    KIQXRQVVYTYYAZ-VKVYFNERSA-N    		 O[CH]1C[CH](O)[CH](C=CC(F)(F)COc2ccccc2)
    [CH]1CC=CCCCC(O)=O; O[C@H]1C[C@@H](O)[C@
    H](/C=C/C(F)(F)COc2ccccc2)[C@H]1C\C=C/CC
    CC(O)=O; c1ccc(cc1)OCC(C=CC2C(CC(C2CC=CC
    CCC(=O)O)O)O)(F)F; c1ccc(cc1)OCC(/C=C/[C
    @H]2[C@@H](C[C@@H]([C@@H]2C/C=C\CCCC(=O)
    O)O)O)(F)F    		 (~{Z})-7-[(1~{R},2~{R},3~{R},5~{S})-2-[(~{E})-3,3-bis(fluoranyl)-4-phenoxy-but-1-enyl]-3,5-bis(oxidanyl)cyclopentyl]hept-5-enoic acid;
    Tafluprost acid
    36357 S2G
    CHEMBL1615211
    ZINC000000402967    		 8 C5 H8 O5 InChI=1S/C5H8O5/c6-3(5(9)
    10)1-2-4(7)8/h3,6H,1-2H2,
    (H,7,8)(H,9,10)/t3-/m0/s1;
    HWXBTNAVRSUOJR-VKHMYHEASA-N    		 C(CC(=O)O)[C@@H](C(=O)O)O; O[CH](CCC(O)=
    O)C(O)=O; O[C@@H](CCC(O)=O)C(O)=O; O=C(O
    )C(O)CCC(=O)O; C(CC(=O)O)C(C(=O)O)O    		 (2S)-2-HYDROXYPENTANEDIOIC ACID
    36358 S2H 2 H2 S2 InChI=1S/H2S2/c1-2/h1-2H;
    BWGNESOTFCXPMA-UHFFFAOYSA-N    		 SS Hydrogen disulfide
    36359 S2I
    ZINC000230586442    		 2 C22 H25 N5 O InChI=1S/C22H25N5O/c28-15
    -5-12-24-20-16-21(26-22(2
    5-20)19-8-3-4-11-23-19)27
    -13-9-17-6-1-2-7-18(17)10
    -14-27/h1-4,6-8,11,16,28H
    ,5,9-10,12-15H2,(H,24,25,
    26);
    XLIJLZCIQJERJQ-UHFFFAOYSA-N    		 OCCCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc4CC3
    ; c1ccc2c(c1)CCN(CC2)c3cc(nc(n3)c4ccccn4
    )NCCCO    		 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propan-1-ol
    36360 S2J
    ZINC000000542893    		 1 C10 H17 N3 O4 InChI=1S/C10H17N3O4/c1-3-
    11-10(16)13-5-4-12-9(15)7
    (13)6-8(14)17-2/h7H,3-6H2
    ,1-2H3,(H,11,16)(H,12,15)
    /t7-/m1/s1;
    RSMBLBWVWNZVOE-SSDOTTSWSA-N    		 CCNC(=O)N1CCNC(=O)C1CC(=O)OC; CCNC(=O)N1
    CCNC(=O)[CH]1CC(=O)OC; CCNC(=O)N1CCNC(=O
    )[C@H]1CC(=O)OC    		 methyl 2-[(2~{R})-1-(ethylcarbamoyl)-3-oxidanylidene-piperazin-2-yl]ethanoate
    36361 S2K
    ZINC000027077082    		 1 C12 H21 N3 O7 InChI=1S/C12H21N3O7/c13-6
    (10(17)18)2-1-3-8(12(21)2
    2)15-9(16)5-4-7(14)11(19)
    20/h6-8H,1-5,13-14H2,(H,1
    5,16)(H,17,18)(H,19,20)(H
    ,21,22)/t6-,7+,8-/m0/s1;
    QIFGMZZTJRULMA-RNJXMRFFSA-N    		 N[CH](CCC[CH](NC(=O)CC[CH](N)C(O)=O)C(O)
    =O)C(O)=O; N[C@@H](CCC[C@H](NC(=O)CC[C@@
    H](N)C(O)=O)C(O)=O)C(O)=O; C(CC(C(=O)O)N
    )CC(C(=O)O)NC(=O)CCC(C(=O)O)N; C(C[C@@H]
    (C(=O)O)N)C[C@@H](C(=O)O)NC(=O)CC[C@H](C
    (=O)O)N    		 (2~{S},6~{S})-2-azanyl-6-[[(4~{R})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]heptanedioic acid
    36362 S2L
    CHEMBL4099088    		 0 C14 H11 Cl O3 InChI=1S/C14H11ClO3/c15-1
    4-8-11(16)4-3-10(14)2-1-9
    -5-12(17)7-13(18)6-9/h1-8
    ,16-18H/b2-1+;
    YSKUNWVWMAIANA-OWOJBTEDSA-N    		 Oc1ccc(\C=C\c2cc(O)cc(O)c2)c(Cl)c1; Oc1c
    cc(C=Cc2cc(O)cc(O)c2)c(Cl)c1; c1cc(c(cc1
    O)Cl)C=Cc2cc(cc(c2)O)O; c1cc(c(cc1O)Cl)/
    C=C/c2cc(cc(c2)O)O; c1c(cc(cc1O)[C@H]=Cc
    2c(cc(cc2)O)Cl)O    		 5-[(E)-2-(2-chloro-4-hydroxyphenyl)ethenyl]benzene-1,3-diol
    36363 S2M
    ZINC000058651099    		 0 C13 H21 N2 O9 P S InChI=1S/C13H21N2O9PS/c1-
    7-5-15(13(26)14-11(7)17)1
    2-10(22-4-3-21-2)9(16)8(2
    4-12)6-23-25(18,19)20/h5,
    8-10,12,16H,3-4,6H2,1-2H3
    ,(H,14,17,26)(H2,18,19,20
    )/t8-,9-,10-,12-/m1/s1;
    BCVUFQXUUOAMEV-DNRKLUKYSA-N    		 O=C1NC(=S)N(C=C1C)C2OC(C(O)C2OCCOC)COP(=
    O)(O)O; CC1=CN(C(=S)NC1=O)[C@H]2[C@@H]([
    C@@H]([C@H](O2)COP(=O)(O)O)O)OCCOC; COCC
    O[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C
    @H]1N2C=C(C)C(=O)NC2=S; CC1=CN(C(=S)NC1=
    O)C2C(C(C(O2)COP(=O)(O)O)O)OCCOC; COCCO[
    CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=
    C(C)C(=O)NC2=S    		 2'-O-[2-(METHOXY)ETHYL]-2-THIOTHYMIDINE-5'-MONOPHOSPHATE
    36364 S2N
    ZINC000058638930    		 3 C24 H47 N2 O9 P S InChI=1S/C24H47N2O9PS/c1-
    5-6-7-8-9-10-11-12-19(27)
    17-21(29)37-16-15-25-20(2
    8)13-14-26-23(31)22(30)24
    (2,3)18-35-36(32,33)34-4/
    h19,22,27,30H,5-18H2,1-4H
    3,(H,25,28)(H,26,31)(H,32
    ,33)/t19-,22+/m1/s1;
    RYLXPSVPJNKBKQ-KNQAVFIVSA-N    		 CCCCCCCCCC(CC(=O)SCCNC(=O)CCNC(=O)C(C(C)
    (C)COP(=O)(O)OC)O)O; CCCCCCCCC[C@@H](O)C
    C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[
    P@](O)(=O)OC; CCCCCCCCC[CH](O)CC(=O)SCCN
    C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O
    C; CCCCCCCCC[C@H](CC(=O)SCCNC(=O)CCNC(=O
    )[C@@H](C(C)(C)CO[P@@](=O)(O)OC)O)O; O=C
    (SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)O
    C)CC(O)CCCCCCCCC    		 S-[2-({N-[(2R)-2-hydroxy-4-{[(S)-hydroxy(methoxy)phosphoryl]oxy}-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl] (3R)-3-hydroxydodecanethioate
    36365 S2O
    CHEMBL6784
    ZINC000013442505    		 8 C8 H11 N O3 S InChI=1S/C8H11NO3S/c9-13(
    11,12)8-3-1-7(2-4-8)5-6-1
    0/h1-4,10H,5-6H2,(H2,9,11
    ,12);
    RYKHXKKLCRPAJP-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(cc1)CCO; c1cc(ccc1CCO)S(
    =O)(=O)N; N[S](=O)(=O)c1ccc(CCO)cc1    		 4-(2-hydroxyethyl)benzenesulfonamide
    36366 S2P
    CHEMBL429594    		 3 C5 H7 N3 O3 S InChI=1S/C5H7N3O3S/c6-2(5
    (10)11)1-3-4(9)8-12-7-3/h
    2H,1,6H2,(H,8,9)(H,10,11)
    /t2-/m0/s1;
    SEVVPWOEIHLQGH-REOHCLBHSA-N    		 N[C@@H](Cc1nsnc1O)C(O)=O; O=C(O)C(N)Cc1n
    snc1O; C(c1c(nsn1)O)[C@@H](C(=O)O)N; N[C
    H](Cc1nsnc1O)C(O)=O; C(c1c(nsn1)O)C(C(=O
    )O)N    		 (2S)-2-amino-3-(4-hydroxy-1,2,5-thiadiazol-3-yl)propanoic acid
    36367 S2Q
    ZINC000012800040    		 2 C18 H20 N4 O4 S InChI=1S/C18H20N4O4S/c1-1
    0(2)16-15-8-13(9-20-18(15
    )26-22-16)17(23)21-11(3)1
    2-5-4-6-14(7-12)27(19,24)
    25/h4-11H,1-3H3,(H,21,23)
    (H2,19,24,25)/t11-/m1/s1;
    HRWBSXDFUWMVHN-LLVKDONJSA-N    		 CC(C)c1c2cc(cnc2on1)C(=O)NC(C)c3cccc(c3)
    S(=O)(=O)N; C[C@H](c1cccc(c1)S(=O)(=O)N)
    NC(=O)c2cc3c(noc3nc2)C(C)C; CC(C)c1noc2n
    cc(cc12)C(=O)N[C@H](C)c3cccc(c3)[S](N)(=
    O)=O; CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c
    3cccc(c3)[S](N)(=O)=O    		 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
    36368 S2R 1 C21 H20 N2 O4 InChI=1S/C21H20N2O4/c24-1
    9(12-5-6-12)22-15-9-7-13(
    8-10-15)20(25)23-18-16-4-
    2-1-3-14(16)11-17(18)21(2
    6)27/h1-4,7-10,12,17-18H,
    5-6,11H2,(H,22,24)(H,23,2
    5)(H,26,27)/t17-,18+/m1/s
    1;
    YTJWUPQJUKAHJM-MSOLQXFVSA-N    		 c1ccc2c(c1)C[C@H]([C@H]2NC(=O)c3ccc(cc3)
    NC(=O)C4CC4)C(=O)O; OC(=O)[CH]1Cc2ccccc2
    [CH]1NC(=O)c3ccc(NC(=O)C4CC4)cc3; OC(=O)
    [C@@H]1Cc2ccccc2[C@@H]1NC(=O)c3ccc(NC(=O
    )C4CC4)cc3; c1ccc2c(c1)CC(C2NC(=O)c3ccc(
    cc3)NC(=O)C4CC4)C(=O)O; O=C(Nc1ccc(cc1)C
    (=O)NC1c2ccccc2CC1C(=O)O)C1CC1    		 (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid
    36369 S2S
    ZINC000000571755    		 2 C8 H10 N2 O3 S InChI=1S/C8H10N2O3S/c1-14
    (12,13)10-7-4-2-6(3-5-7)8
    (9)11/h2-5,10H,1H3,(H2,9,
    11);
    DVCWUTSWCVQZSC-UHFFFAOYSA-N    		 C[S](=O)(=O)Nc1ccc(cc1)C(N)=O; CS(=O)(=O
    )Nc1ccc(cc1)C(=O)N    		 4-(methylsulfonylamino)benzamide
    36370 S2T
    ZINC000033979015    		 4 C10 H9 Cl O4 InChI=1S/C10H9ClO4/c1-6(1
    2)15-9(10(13)14)7-4-2-3-5
    -8(7)11/h2-5,9H,1H3,(H,13
    ,14)/t9-/m0/s1;
    KCSVPDYDUYOIJU-VIFPVBQESA-N    		 CC(=O)OC(c1ccccc1Cl)C(=O)O; CC(=O)O[C@@H
    ](c1ccccc1Cl)C(=O)O; CC(=O)O[C@H](C(O)=O
    )c1ccccc1Cl; Clc1ccccc1C(OC(=O)C)C(=O)O;
    CC(=O)O[CH](C(O)=O)c1ccccc1Cl    		 (2S)-(acetyloxy)(2-chlorophenyl)ethanoic acid
    36371 S2U 1 C22 H23 N3 O3 S InChI=1S/C22H23N3O3S/c1-2
    2(2,28-18-9-7-17(27-3)8-1
    0-18)21(26)25-16-6-4-5-14
    (11-16)15-12-19(20(23)24)
    29-13-15/h4-13H,1-3H3,(H3
    ,23,24)(H,25,26);
    ZQLNPUVERWATSL-UHFFFAOYSA-N    		 COc1ccc(OC(C)(C)C(=O)Nc2cccc(c2)c3csc(c3
    )C(N)=N)cc1; CC(C)(C(=O)Nc1cccc(c1)c2cc(
    sc2)C(=N)N)Oc3ccc(cc3)OC; [H]/N=C(\c1cc(
    cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3ccc(cc3)OC
    )/N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-methoxyphenoxy)-2-methyl-propanamide
    36372 S2V
    CHEMBL37159
    ZINC000000110644    		 1 C13 H16 F N O2 InChI=1S/C13H16FNO2/c1-15
    -7-5-12(6-8-15)17-13(16)1
    0-3-2-4-11(14)9-10/h2-4,9
    ,12H,5-8H2,1H3;
    ZFURYJWOGQNUPY-UHFFFAOYSA-N    		 CN1CCC(CC1)OC(=O)c2cccc(F)c2; CN1CCC(CC1
    )OC(=O)c2cccc(c2)F    		 (1-methylpiperidin-4-yl) 3-fluoranylbenzoate
    36373 S2W
    CHEMBL5084055    		 1 C18 H17 F3 N4 InChI=1S/C18H17F3N4/c1-10
    (12-7-13(18(19,20)21)9-14
    (22)8-12)23-17-15-5-3-4-6
    -16(15)24-11(2)25-17/h3-1
    0H,22H2,1-2H3,(H,23,24,25
    )/t10-/m1/s1;
    CVDHTLSRRHNJAW-SNVBAGLBSA-N    		 Cc1nc2ccccc2c(n1)N[C@H](C)c3cc(cc(c3)N)C
    (F)(F)F; Cc1nc2ccccc2c(n1)NC(C)c3cc(cc(c
    3)N)C(F)(F)F; C[C@@H](Nc1nc(C)nc2ccccc12
    )c3cc(N)cc(c3)C(F)(F)F; C[CH](Nc1nc(C)nc
    2ccccc12)c3cc(N)cc(c3)C(F)(F)F    		 ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine
    36374 S2X
    CHEMBL3774598
    ZINC000263620680    		 2 C14 H12 N2 O4 InChI=1S/C14H12N2O4/c1-8(
    17)16-10-2-3-13(18)11(7-1
    0)12-6-9(14(19)20)4-5-15-
    12/h2-7,18H,1H3,(H,16,17)
    (H,19,20);
    KWHVUGFDWSYWJF-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(c(c1)c2cc(ccn2)C(=O)O)O; CC
    (=O)Nc1ccc(O)c(c1)c2cc(ccn2)C(O)=O    		 2-(5-acetamido-2-oxidanyl-phenyl)pyridine-4-carboxylic acid
    36375 S2Y
    ZINC000000575186    		 3 C14 H14 F N O InChI=1S/C14H14FNO/c1-17-
    14-8-6-13(7-9-14)16-10-11
    -2-4-12(15)5-3-11/h2-9,16
    H,10H2,1H3;
    QHNUQKUZGHGTCA-UHFFFAOYSA-N    		 COc1ccc(cc1)NCc2ccc(cc2)F; COc1ccc(NCc2c
    cc(F)cc2)cc1    		 ~{N}-[(4-fluorophenyl)methyl]-4-methoxy-aniline
    36376 S2Z
    CHEMBL5087955    		 2 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    (14-8-6-5-7-9-14)20-19-15
    -10-17(23-3)18(24-4)11-16
    (15)21-13(2)22-19/h5-12H,
    1-4H3,(H,20,21,22)/t12-/m
    1/s1;
    SQSDNOVLVOTMJE-GFCCVEGCSA-N    		 Cc1nc2cc(c(cc2c(n1)NC(C)c3ccccc3)OC)OC;
    COc1cc2nc(C)nc(N[C@H](C)c3ccccc3)c2cc1OC
    ; Cc1nc2cc(c(cc2c(n1)N[C@H](C)c3ccccc3)O
    C)OC; COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2
    cc1OC    		 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
    36377 S30
    CHEMBL1213116
    ZINC000051768789    		 1 C25 H21 N7 O2 InChI=1S/C25H21N7O2/c1-15
    -7-3-4-11-19(15)32-20(29-
    17-9-5-8-16(2)21(17)25(32
    )34)13-31-24-22(23(26)27-
    14-28-24)18(30-31)10-6-12
    -33/h3-5,7-9,11,14,33H,12
    -13H2,1-2H3,(H2,26,27,28);
    GJBJSDBBRWPDBE-UHFFFAOYSA-N    		 Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(
    n4)C#CCO)c(ncn5)N; Cc1ccccc1N2C(=Nc3cccc
    (C)c3C2=O)Cn4nc(C#CCO)c5c(N)ncnc45; O=C2
    N(c1ccccc1C)C(=Nc3cccc(c23)C)Cn5nc(C#CCO
    )c4c(ncnc45)N    		 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
    36378 S31 1 C27 H39 Cu N9 O3 S InChI=1S/C27H38N6O2S.Cu.H
    N3.H2O/c34-25(11-2-1-10-2
    4-26-23(20-36-24)31-27(35
    )32-26)30-16-7-17-33(18-1
    2-21-8-3-5-14-28-21)19-13
    -22-9-4-6-15-29-22;;1-3-2
    ;/h3-6,8-9,14-15,23-24,26
    H,1-2,7,10-13,16-20H2,(H,
    30,34)(H2,31,32,35);;1H;1
    H2/q;+2;-1;/p-1/t23-,24-,
    26-;;;/m0.../s1;
    PEDLMSAQKQLGPS-RGZPRUOZSA-M    		 C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC
    =C4)(N=[N+]=[NH-])[O])CCCNC(=O)CCCCC5C6C
    (CS5)NC(=O)N6; O.[Cu]N=[N+]=[NH-].O=C(CC
    CC[CH]1SC[CH]2NC(=O)N[CH]12)NCCCN(CCc3cc
    ccn3)CCc4ccccn4; O.[Cu]N=[N+]=[NH-].O=C(
    CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCN
    (CCc3ccccn3)CCc4ccccn4; C1C[N]2(CCC3=CC=
    CC=[N]3[Cu]2([N]4=C1C=CC=C4)(N=[N+]=[NH-
    ])[O])CCCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS
    5)NC(=O)N6    		 [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](azido)(hydroxy)copper
    36379 S32 1 C27 H38 Cu N6 O3 S InChI=1S/C27H38N6O2S.Cu.H
    2O/c34-25(11-2-1-10-24-26
    -23(20-36-24)31-27(35)32-
    26)30-16-7-17-33(18-12-21
    -8-3-5-14-28-21)19-13-22-
    9-4-6-15-29-22;;/h3-6,8-9
    ,14-15,23-24,26H,1-2,7,10
    -13,16-20H2,(H,30,34)(H2,
    31,32,35);;1H2/q;+1;/p-1/
    t23-,24-,26-;;/m0../s1;
    PNZAMFOPABFOOE-KNJZPGARSA-M    		 C1C[N]2(CCC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC
    =C4)[O])CCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6;
    O.[Cu].O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]1
    2)NCCCN(CCc3ccccn3)CCc4ccccn4; C1C[N]2(C
    CC3=CC=CC=[N]3[Cu]2([N]4=C1C=CC=C4)[O])C
    CCNC(=O)CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O
    )N6; O=C1NC2CSC(C2N1)CCCCC(NCCCN45CCc3cc
    ccn3[Cu]4(n6c(CC5)cccc6)O)=O; O.[Cu].O=C
    (CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCC
    N(CCc3ccccn3)CCc4ccccn4    		 [N-(3-{bis[2-(pyridin-2-yl-kappaN)ethyl]amino-kappaN}propyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide](hydroxy)copper
    36380 S33
    ZINC000098209386    		 1 C32 H34 Cl2 N6 O6 S InChI=1S/C32H34Cl2N6O6S/c
    1-46-29-11-10-25(14-26(29
    )34)47(44,45)39-27(15-30(
    41)37-18-21-6-4-20(16-35)
    5-7-21)32(43)40-12-2-3-28
    (40)31(42)38-19-23-13-24(
    33)9-8-22(23)17-36/h4-11,
    13-14,27-28,39H,2-3,12,15
    ,17-19,36H2,1H3,(H,37,41)
    (H,38,42)/t27-,28-/m0/s1;
    MSHHPYQVXLZTQG-NSOVKSMOSA-N    		 COc1ccc(cc1Cl)S(=O)(=O)NC(CC(=O)NCc2ccc(
    cc2)C#N)C(=O)N3CCCC3C(=O)NCc4cc(ccc4CN)C
    l; COc1ccc(cc1Cl)S(=O)(=O)N[C@@H](CC(=O)
    NCc2ccc(cc2)C#N)C(=O)N3CCC[C@H]3C(=O)NCc
    4cc(ccc4CN)Cl; COc1ccc(cc1Cl)[S](=O)(=O)
    N[C@@H](CC(=O)NCc2ccc(cc2)C#N)C(=O)N3CCC
    [C@H]3C(=O)NCc4cc(Cl)ccc4CN; O=C(NCc1cc(
    Cl)ccc1CN)C4N(C(=O)C(NS(=O)(=O)c2ccc(OC)
    c(Cl)c2)CC(=O)NCc3ccc(C#N)cc3)CCC4; COc1
    ccc(cc1Cl)[S](=O)(=O)N[CH](CC(=O)NCc2ccc
    (cc2)C#N)C(=O)N3CCC[CH]3C(=O)NCc4cc(Cl)c
    cc4CN    		 (2S)-N-[[2-(aminomethyl)-5-chloranyl-phenyl]methyl]-1-[(2S)-2-[(3-chloranyl-4-methoxy-phenyl)sulfonylamino]-4-[(4-cyanophenyl)methylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxamide
    36381 S34
    ZINC000000372245    		 2 C9 H9 N3 O InChI=1S/C9H9N3O/c10-4-1-
    9(13)12-7-8-2-5-11-6-3-8/
    h2-3,5-6H,1,7H2,(H,12,13);
    ACPRFCGKSGKRCH-UHFFFAOYSA-N    		 c1cnccc1CNC(=O)CC#N; O=C(CC#N)NCc1ccncc1 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide
    36382 S35
    CHEMBL2171392
    ZINC000095554844    		 2 C26 H30 F N3 O5 InChI=1S/C26H30FN3O5/c1-1
    6-9-5-6-10-17(16)19(14-24
    (32)33)28-25(34)20-13-23(
    35-15-22(31)26(2,3)4)30(2
    9-20)21-12-8-7-11-18(21)2
    7/h5-13,19,22,31H,14-15H2
    ,1-4H3,(H,28,34)(H,32,33)
    /t19-,22-/m0/s1;
    PUJVTKSRQZHCAT-UGKGYDQZSA-N    		 Cc1ccccc1[C@H](CC(=O)O)NC(=O)c2cc(n(n2)c
    3ccccc3F)OC[C@@H](C(C)(C)C)O; Cc1ccccc1C
    (CC(=O)O)NC(=O)c2cc(n(n2)c3ccccc3F)OCC(C
    (C)(C)C)O; Cc1ccccc1[C@H](CC(O)=O)NC(=O)
    c2cc(OC[C@H](O)C(C)(C)C)n(n2)c3ccccc3F;
    Cc1ccccc1[CH](CC(O)=O)NC(=O)c2cc(OC[CH](
    O)C(C)(C)C)n(n2)c3ccccc3F; O=C(O)CC(c1cc
    ccc1C)NC(=O)c3nn(c2c(F)cccc2)c(OCC(O)C(C
    )(C)C)c3    		 (3S)-3-({[1-(2-fluorophenyl)-5-{[(2R)-2-hydroxy-3,3-dimethylbutyl]oxy}-1H-pyrazol-3-yl]carbonyl}amino)-3-(2-methylphenyl)propanoic acid
    36383 S36
    ZINC000043132782    		 2 C19 H21 N O3 InChI=1S/C19H21NO3/c1-12(
    2)15-9-16(18(22)10-17(15)
    21)19(23)20-8-7-13-5-3-4-
    6-14(13)11-20/h3-6,9-10,1
    2,21-22H,7-8,11H2,1-2H3;
    ZBQGGHXOKIRSAH-UHFFFAOYSA-N    		 CC(C)c1cc(c(cc1O)O)C(=O)N2CCc3ccccc3C2;
    O=C(c1cc(c(O)cc1O)C(C)C)N3Cc2c(cccc2)CC3
    ; CC(C)c1cc(c(O)cc1O)C(=O)N2CCc3ccccc3C2    		 3,4-dihydroisoquinolin-2(1H)-yl[2,4-dihydroxy-5-(propan-2-yl)phenyl]methanone
    36384 S37
    ZINC000096927911    		 2 C12 H20 N O9 P InChI=1S/C12H20NO9P/c1-7(
    14)13-9(12(19)20)4-5-23(2
    1,22)6-8(11(17)18)2-3-10(
    15)16/h8-9H,2-6H2,1H3,(H,
    13,14)(H,15,16)(H,17,18)(
    H,19,20)(H,21,22)/t8-,9+/
    m1/s1;
    PTZXXIYPZPFQTH-BDAKNGLRSA-N    		 CC(=O)NC(CCP(=O)(CC(CCC(=O)O)C(=O)O)O)C(
    =O)O; CC(=O)N[C@@H](CCP(=O)(C[C@@H](CCC(
    =O)O)C(=O)O)O)C(=O)O; CC(=O)N[CH](CC[P](
    O)(=O)C[CH](CCC(O)=O)C(O)=O)C(O)=O; CC(=
    O)N[C@@H](CC[P](O)(=O)C[C@@H](CCC(O)=O)C
    (O)=O)C(O)=O    		 (2~{S})-2-[[[(3~{S})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
    36385 S38
    CHEMBL1615212    		 2 C17 H14 N2 O InChI=1S/C17H14N2O/c18-11
    -12-6-8-14(9-7-12)17(20)1
    9-16-10-15(16)13-4-2-1-3-
    5-13/h1-9,15-16H,10H2,(H,
    19,20)/t15-,16+/m1/s1;
    RPFFDFASGIBGIP-CVEARBPZSA-N    		 O=C(N[CH]1C[CH]1c2ccccc2)c3ccc(cc3)C#N;
    c1ccc(cc1)C2CC2NC(=O)c3ccc(cc3)C#N; O=C(
    N[C@H]1C[C@@H]1c2ccccc2)c3ccc(cc3)C#N; O
    =C(NC2CC2c1ccccc1)c3ccc(C#N)cc3; c1ccc(c
    c1)[C@H]2C[C@@H]2NC(=O)c3ccc(cc3)C#N    		 4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
    36386 S39 2 C28 H22 Cl N5 O2 S InChI=1S/C28H22ClN5O2S/c2
    9-19-6-5-18-13-34(15-27(3
    5)32-20-7-8-26-24(10-20)3
    1-16-37-26)14-23(22(18)9-
    19)28(36)33-25-12-30-11-1
    7-3-1-2-4-21(17)25/h1-12,
    16,23H,13-15H2,(H,32,35)(
    H,33,36)/t23-/m1/s1;
    QLTJDOSMDPTNNG-HSZRJFAPSA-N    		 Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)
    c2c1)CC(=O)Nc5ccc6scnc6c5; Clc1ccc2CN(CC
    (C(=O)Nc3cncc4ccccc43)c2c1)CC(=O)Nc1cc2n
    csc2cc1; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN
    (Cc4c3cc(cc4)Cl)CC(=O)Nc5ccc6c(c5)ncs6;
    c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)C
    l)CC(=O)Nc5ccc6c(c5)ncs6; Clc1ccc2CN(C[C
    H](C(=O)Nc3cncc4ccccc34)c2c1)CC(=O)Nc5cc
    c6scnc6c5    		 (4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    36387 S3A 8 C12 H21 N O12 P2 InChI=1S/C12H21NO12P2/c1-
    7(14)13-9(12(19)20)4-5-26
    (21,25-27(22,23)24)6-8(11
    (17)18)2-3-10(15)16/h8-9H
    ,2-6H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)(H2
    ,22,23,24)/t8-,9-,26+/m1/
    s1;
    GAWJDXYZTLOFMC-UXDGFGRTSA-N    		 CC(=O)N[CH](CC[P](=O)(C[CH](CCC(O)=O)C(O
    )=O)O[P](O)(O)=O)C(O)=O; CC(=O)NC(CCP(=O
    )(CC(CCC(=O)O)C(=O)O)OP(=O)(O)O)C(=O)O;
    CC(=O)N[C@H](CC[P@@](=O)(C[C@@H](CCC(O)=
    O)C(O)=O)O[P](O)(O)=O)C(O)=O; CC(=O)N[C@
    H](CC[P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)O
    P(=O)(O)O)C(=O)O    		 (2~{S})-2-[[[(3~{R})-3-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
    36388 S3B
    ZINC000058638932    		 1 C11 H12 O4 InChI=1S/C11H12O4/c1-3-9(
    12)15-10-7(2)5-4-6-8(10)1
    1(13)14/h4-6H,3H2,1-2H3,(
    H,13,14);
    NFOCQVCAZPKUKW-UHFFFAOYSA-N    		 CCC(=O)Oc1c(cccc1C(=O)O)C; CCC(=O)Oc1c(C
    )cccc1C(O)=O; O=C(Oc1c(cccc1C)C(=O)O)CC    		 3-methyl-2-(propanoyloxy)benzoic acid
    36389 S3C
    CHEMBL3792857
    ZINC000214000735    		 8 C9 H5 Cl3 O2 S InChI=1S/C9H5Cl3O2S/c10-5
    -1-2-6(11)8(12)4(5)3-7(15
    )9(13)14/h1-3,15H,(H,13,1
    4)/b7-3-;
    ZCOCHUAGSBNGCP-CLTKARDFSA-N    		 c1cc(c(c(c1Cl)C=C(C(=O)O)S)Cl)Cl; OC(=O)
    C(S)=Cc1c(Cl)ccc(Cl)c1Cl; OC(=O)\C(S)=C\
    c1c(Cl)ccc(Cl)c1Cl; c1cc(c(c(c1Cl)/C=C(/
    C(=O)O)\S)Cl)Cl; Clc1c(\C=C(/S)C(=O)O)c(
    Cl)ccc1Cl    		 (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
    36390 S3E 1 C12 H14 N4 O3 InChI=1S/C12H14N4O3/c17-1
    0(18)5-8-6-16(3-4-19-8)12
    -9-1-2-13-11(9)14-7-15-12
    /h1-2,7-8H,3-6H2,(H,17,18
    )(H,13,14,15)/t8-/m0/s1;
    PRFABXNJKOXNTN-QMMMGPOBSA-N    		 OC(=O)C[C@H]1CN(CCO1)c2ncnc3[nH]ccc23; c
    1c[nH]c2c1c(ncn2)N3CCOC(C3)CC(=O)O; O=C(
    O)CC1CN(CCO1)c1ncnc2[NH]ccc12; c1c[nH]c2
    c1c(ncn2)N3CCO[C@H](C3)CC(=O)O; OC(=O)C[
    CH]1CN(CCO1)c2ncnc3[nH]ccc23    		 [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid
    36391 S3F 4 Fe4 O S3 InChI=1S/4Fe.H2O.3S/h;;;;
    1H2;;;/q;;;+1;;;;/p-1;
    ROWMPBKAWWBNCP-UHFFFAOYSA-M    		 [O][Fe]1[S]([Fe]2[S]1[Fe]S2)[Fe]; O|[Fe]
    |1S|2[Fe]S[Fe]|2S|1[Fe]    		 oxidized [Fe4-S3] cluster
    36392 S3G
    ZINC000095920996    		 4 C21 H24 N2 O5 InChI=1S/C21H24N2O5/c1-13
    (2)9-14(11-23-20(24)15-5-
    7-22-8-6-15)10-16-3-4-17-
    19(28-12-27-17)18(16)21(2
    5)26/h3-8,13-14H,9-12H2,1
    -2H3,(H,23,24)(H,25,26)/t
    14-/m0/s1;
    MNUFCQCGIBAEIV-AWEZNQCLSA-N    		 CC(C)C[CH](CNC(=O)c1ccncc1)Cc2ccc3OCOc3c
    2C(O)=O; CC(C)C[C@H](CNC(=O)c1ccncc1)Cc2
    ccc3OCOc3c2C(O)=O; O=C(O)c1c(ccc2OCOc12)
    CC(CC(C)C)CNC(=O)c3ccncc3; CC(C)CC(Cc1cc
    c2c(c1C(=O)O)OCO2)CNC(=O)c3ccncc3; CC(C)
    C[C@@H](Cc1ccc2c(c1C(=O)O)OCO2)CNC(=O)c3
    ccncc3    		 5-[(2S)-4-methyl-2-[(pyridin-4-ylcarbonylamino)methyl]pentyl]-1,3-benzodioxole-4-carboxylic acid
    36393 S3H
    CHEMBL1235793    		 10 H2 S3 InChI=1S/H2S3/c1-3-2/h1-2
    H;
    KBMBVTRWEAAZEY-UHFFFAOYSA-N    		 SSS trisulfane
    36394 S3I 1 C23 H23 N3 O3 S InChI=1S/C23H23N3O3S/c1-1
    4(27)15-7-9-19(10-8-15)29
    -23(2,3)22(28)26-18-6-4-5
    -16(11-18)17-12-20(21(24)
    25)30-13-17/h4-13H,1-3H3,
    (H3,24,25)(H,26,28);
    FIJPVTLSUVVZPW-UHFFFAOYSA-N    		 CC(=O)c1ccc(cc1)OC(C)(C)C(=O)Nc2cccc(c2)
    c3cc(sc3)C(=N)N; CC(=O)c1ccc(OC(C)(C)C(=
    O)Nc2cccc(c2)c3csc(c3)C(N)=N)cc1; [H]/N=
    C(\c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3cc
    c(cc3)C(=O)C)/N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-(4-ethanoylphenoxy)-2-methyl-propanamide
    36395 S3J
    CHEMBL3464675
    ZINC000000808022    		 1 C13 H17 N O2 InChI=1S/C13H17NO2/c15-13
    (16)10-14-8-6-12(7-9-14)1
    1-4-2-1-3-5-11/h1-5,12H,6
    -10H2,(H,15,16);
    OAMRZYKCPQKDBJ-UHFFFAOYSA-N    		 c1ccc(cc1)C2CCN(CC2)CC(=O)O; OC(=O)CN1CC
    C(CC1)c2ccccc2    		 2-(4-phenylpiperidin-1-yl)ethanoic acid
    36396 S3M
    ZINC000012370323    		 1 C11 H12 N2 O InChI=1S/C11H12N2O/c1-13-
    11(7-10(8-14)12-13)9-5-3-
    2-4-6-9/h2-7,14H,8H2,1H3;
    ZMDMCKKOZJKHKG-UHFFFAOYSA-N    		 Cn1nc(CO)cc1c2ccccc2; Cn1c(cc(n1)CO)c2cc
    ccc2    		 (1-methyl-5-phenyl-pyrazol-3-yl)methanol
    36397 S3N
    ZINC000584905677    		 1 C20 H16 F3 N3 O2 InChI=1S/C20H16F3N3O2/c21
    -20(22,23)13-4-1-11(2-5-1
    3)18(27)16-9-24-8-15(16)1
    2-3-6-14-17(7-12)25-10-26
    -19(14)28/h1-7,10,15-16,2
    4H,8-9H2,(H,25,26,28)/t15
    -,16+/m1/s1;
    XZRRVVLAMWXVRY-CVEARBPZSA-N    		 c1cc(ccc1C(=O)C2CNCC2c3ccc4c(c3)N=CNC4=O
    )C(F)(F)F; FC(F)(F)c1ccc(cc1)C(=O)[CH]2C
    NC[CH]2c3ccc4C(=O)NC=Nc4c3; FC(F)(F)c1cc
    c(cc1)C(=O)[C@H]2CNC[C@@H]2c3ccc4C(=O)NC
    =Nc4c3; c1cc(ccc1C(=O)[C@H]2CNC[C@@H]2c3
    ccc4c(c3)N=CNC4=O)C(F)(F)F    		 7-[(3S,4R)-4-[4-(trifluoromethyl)phenyl]carbonylpyrrolidin-3-yl]-3H-quinazolin-4-one
    36398 S3O
    CHEMBL4436749    		 1 C18 H21 N3 O InChI=1S/C18H21N3O/c1-11-
    6-4-7-14(12(11)2)18-15-8-
    5-9-19-16(15)10-17(21-18)
    20-13(3)22/h4,6-7,10,19H,
    5,8-9H2,1-3H3,(H,20,21,22
    );
    HKZLJFYLGVHCCO-UHFFFAOYSA-N    		 Cc1cccc(c1C)c2c3c(cc(n2)NC(=O)C)NCCC3; C
    2CNc1cc(NC(=O)C)nc(c1C2)c3cccc(c3C)C; CC
    (=O)Nc1cc2NCCCc2c(n1)c3cccc(C)c3C    		 N-[5-(2,3-dimethylphenyl)-1,2,3,4-tetrahydro-1,6-naphthyridin-7-yl]acetamide
    36399 S3P
    CHEMBL95193
    DB04328
    ZINC000003870237    		 47 C7 H11 O8 P InChI=1S/C7H11O8P/c8-4-1-
    3(7(10)11)2-5(6(4)9)15-16
    (12,13)14/h2,4-6,8-9H,1H2
    ,(H,10,11)(H2,12,13,14)/t
    4-,5-,6+/m1/s1;
    QYOJSKGCWNAKGW-PBXRRBTRSA-N    		 C1C(C(C(C=C1C(=O)O)OP(=O)(O)O)O)O; C1[C@
    H]([C@@H]([C@@H](C=C1C(=O)O)OP(=O)(O)O)O
    )O; O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[C@
    H]1O)C(O)=O; O[CH]1CC(=C[CH](O[P](O)(O)=
    O)[CH]1O)C(O)=O; O=C(O)C1=CC(OP(=O)(O)O)
    C(O)C(O)C1    		 SHIKIMATE-3-PHOSPHATE
    36400 S3Q
    CHEMBL5084571    		 2 C20 H20 F3 N3 O2 InChI=1S/C20H20F3N3O2/c1-
    11(13-6-5-7-14(8-13)20(21
    ,22)23)24-19-15-9-17(27-3
    )18(28-4)10-16(15)25-12(2
    )26-19/h5-11H,1-4H3,(H,24
    ,25,26)/t11-/m1/s1;
    UWEJNKMEGIGAGY-LLVKDONJSA-N    		 Cc1nc2cc(c(cc2c(n1)NC(C)c3cccc(c3)C(F)(F
    )F)OC)OC; COc1cc2nc(C)nc(N[CH](C)c3cccc(
    c3)C(F)(F)F)c2cc1OC; COc1cc2nc(C)nc(N[C@
    H](C)c3cccc(c3)C(F)(F)F)c2cc1OC; Cc1nc2c
    c(c(cc2c(n1)N[C@H](C)c3cccc(c3)C(F)(F)F)
    OC)OC    		 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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