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  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
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  • 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
    39401 R9M
    ZINC000002583422    		 14 C6 H7 N O2 S InChI=1S/C6H7NO2S/c8-6(9)
    2-1-5-7-3-4-10-5/h3-4H,1-
    2H2,(H,8,9);
    OJTQVDTVCPIZQH-UHFFFAOYSA-N    		 c1csc(n1)CCC(=O)O; OC(=O)CCc1sccn1; C(C(
    O)=O)Cc1nccs1    		 3-(1,3-thiazol-2-yl)propanoic acid
    39402 R9O 1 C11 H8 Cl N O3 S InChI=1S/C11H8ClNO3S/c12-
    7-3-1-2-4-9(7)16-5-10-13-
    8(6-17-10)11(14)15/h1-4,6
    H,5H2,(H,14,15);
    BQYZYDJLVVVRCF-UHFFFAOYSA-N    		 O=C(O)c1csc(COc2ccccc2Cl)n1; c1ccc(c(c1)
    OCc2nc(cs2)C(=O)O)Cl; OC(=O)c1csc(COc2cc
    ccc2Cl)n1    		 2-[(2-chlorophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
    39403 R9P
    CHEMBL4070120
    ZINC000095920682    		 1 C22 H20 Br Cl N4 O2 InChI=1S/C22H20BrClN4O2/c
    23-13-1-4-18-16(9-13)19-2
    0(30-18)22(29)28-21(27-19
    )15-3-2-14(10-17(15)24)26
    -11-12-5-7-25-8-6-12/h1-4
    ,9-10,12,25-26H,5-8,11H2,
    (H,27,28,29);
    RUIXFIILMZVAAF-UHFFFAOYSA-N    		 Clc5cc(NCC1CCNCC1)ccc5C3=Nc2c4c(oc2C(=O)
    N3)ccc(Br)c4; c1cc(c(cc1NCC2CCNCC2)Cl)C3
    =Nc4c5cc(ccc5oc4C(=O)N3)Br; Clc1cc(NCC2C
    CNCC2)ccc1C3=Nc4c(oc5ccc(Br)cc45)C(=O)N3    		 8-bromo-2-{2-chloro-4-[(piperidin-4-ylmethyl)amino]phenyl}[1]benzofuro[3,2-d]pyrimidin-4(3H)-one
    39404 R9Q 1 C17 H14 N2 O2 InChI=1S/C17H14N2O2/c1-19
    -11-16(13-6-4-5-12(9-13)1
    0-18)21-15-8-3-2-7-14(15)
    17(19)20/h2-9,16H,11H2,1H
    3/t16-/m0/s1;
    ZONZPYJIOKLBIL-INIZCTEOSA-N    		 CN1C[C@H](Oc2ccccc2C1=O)c3cccc(c3)C#N; C
    N1C[CH](Oc2ccccc2C1=O)c3cccc(c3)C#N; CN1
    CC(Oc2ccccc2C1=O)c3cccc(c3)C#N    		 3-[(2~{R})-4-methyl-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-2-yl]benzenecarbonitrile
    39405 R9R 2 C24 H24 Cl N3 O5 S2 InChI=1S/C24H24ClN3O5S2/c
    1-24(13-34(30,31)14-24)15
    -35(32,33)28-11-17-6-7-18
    (25)8-20(17)21(12-28)23(2
    9)27-22-10-26-9-16-4-2-3-
    5-19(16)22/h2-10,21H,11-1
    5H2,1H3,(H,27,29)/t21-/m1
    /s1;
    NHHHIEXFSUFQCS-OAQYLSRUSA-N    		 CC1(CS(=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3[
    C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl; CC1(CS
    (=O)(=O)C1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(
    =O)Nc4cncc5c4cccc5)Cl; CC1(C[S](=O)(=O)C
    1)C[S](=O)(=O)N2C[C@@H](C(=O)Nc3cncc4ccc
    cc34)c5cc(Cl)ccc5C2; O=S(=O)(CC1(C)CS(=O
    )(=O)C1)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc
    2ccccc21; CC1(C[S](=O)(=O)C1)C[S](=O)(=O
    )N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)cc
    c5C2    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39406 R9S
    ZINC000020448008    		 3 C9 H11 N O InChI=1S/C9H11NO/c1-7-4-2
    -3-5-8(7)6-9(10)11/h2-5H,
    6H2,1H3,(H2,10,11);
    AZWFNQKHHGQCET-UHFFFAOYSA-N    		 Cc1ccccc1CC(N)=O; Cc1ccccc1CC(=O)N; c1cc
    (CC(=O)N)c(C)cc1    		 2-(2-methylphenyl)acetamide
    39407 R9T
    ZINC000000057531    		 2 C20 H25 N O4 InChI=1S/C20H25NO4/c1-22-
    17-6-5-13(10-18(17)23-2)9
    -16-15-12-20(25-4)19(24-3
    )11-14(15)7-8-21-16/h5-6,
    10-12,16,21H,7-9H2,1-4H3/
    t16-/m1/s1;
    YXWQTVWJNHKSCC-MRXNPFEDSA-N    		 COc1ccc(cc1OC)C[C@@H]2c3cc(c(cc3CCN2)OC)
    OC; COc1ccc(cc1OC)CC2c3cc(c(cc3CCN2)OC)O
    C; COc1ccc(C[C@H]2NCCc3cc(OC)c(OC)cc23)c
    c1OC; COc1ccc(C[CH]2NCCc3cc(OC)c(OC)cc23
    )cc1OC    		 (1~{R})-1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;
    R-Tetrahydropapaverine
    39408 R9U 1 C16 H16 F N5 O4 S InChI=1S/C16H16FN5O4S/c1-
    27(24,25)21-16(23)12-7-22
    (4-5-26-12)15-13-10-3-2-9
    (17)6-11(10)20-14(13)18-8
    -19-15/h2-3,6,8,12H,4-5,7
    H2,1H3,(H,21,23)(H,18,19,
    20)/t12-/m1/s1;
    NESBXOSECIYAHI-GFCCVEGCSA-N    		 CS(=O)(=O)NC(=O)C1CN(CCO1)c2c3c4ccc(cc4[
    nH]c3ncn2)F; C[S](=O)(=O)NC(=O)[CH]1CN(C
    CO1)c2ncnc3[nH]c4cc(F)ccc4c23; CS(=O)(=O
    )NC(=O)[C@H]1CN(CCO1)c2c3c4ccc(cc4[nH]c3
    ncn2)F; C[S](=O)(=O)NC(=O)[C@H]1CN(CCO1)
    c2ncnc3[nH]c4cc(F)ccc4c23; CS(=O)(=O)NC(
    =O)C1CN(CCO1)c1ncnc2[NH]c3cc(F)ccc3c12    		 (2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide
    39409 R9V
    ZINC000245204779    		 8 C14 H19 N O InChI=1S/C14H19NO/c16-14-
    8-12-6-7-13(9-14)15(12)10
    -11-4-2-1-3-5-11/h1-5,12-
    14,16H,6-10H2/t12-,13+,14
    +;
    HCBGIBWAPOFRKI-WDNDVIMCSA-N    		 c1ccccc1CN3C2CC(CC3CC2)O; c1ccc(cc1)CN2C
    3CCC2CC(C3)O; O[C@H]1C[C@H]2CC[C@@H](C1)
    N2Cc3ccccc3; O[CH]1C[CH]2CC[CH](C1)N2Cc3
    ccccc3; c1ccc(cc1)CN2[C@@H]3CC[C@H]2CC(C
    3)O    		 (3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol
    39410 R9W
    CHEMBL130880
    DB13668
    ZINC000006780651    		 0 C12 H16 N2 InChI=1S/C12H16N2/c13-12-
    8-4-1-2-6-10(8)14-11-7-3-
    5-9(11)12/h1-7H2,(H2,13,1
    4);
    YLUSMKAJIQOXPV-UHFFFAOYSA-N    		 C1CCc2c(c(c3c(n2)CCC3)N)C1; Nc1c2CCCCc2n
    c3CCCc13    		 2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine
    39411 R9X
    ZINC000071341888    		 6 C21 H30 N O4 P InChI=1S/C21H30NO4P/c1-2-
    3-4-5-6-7-8-16-20(23)22-2
    1(27(24,25)26)19-15-11-13
    -17-12-9-10-14-18(17)19/h
    9-15,21H,2-8,16H2,1H3,(H,
    22,23)(H2,24,25,26)/t21-/
    m1/s1;
    QQNUSDSQHYRTKZ-OAQYLSRUSA-N    		 CCCCCCCCCC(=O)N[C@@H](c1cccc2ccccc12)[P]
    (O)(O)=O; CCCCCCCCCC(=O)N[C@@H](c1cccc2c
    1cccc2)P(=O)(O)O; CCCCCCCCCC(=O)NC(c1ccc
    c2c1cccc2)P(=O)(O)O; CCCCCCCCCC(=O)N[CH]
    (c1cccc2ccccc12)[P](O)(O)=O    		 [(R)-(decanoylamino)-naphthalen-1-yl-methyl]phosphonic acid
    39412 R9Y
    ZINC000004992594    		 6 C11 H16 N2 InChI=1S/C11H16N2/c1-13-6
    -2-3-10-7-9(8-12)4-5-11(1
    0)13/h4-5,7H,2-3,6,8,12H2
    ,1H3;
    YWWOJPNCKNCDOR-UHFFFAOYSA-N    		 CN1CCCc2cc(CN)ccc12; CN1CCCc2c1ccc(c2)CN
    ; c12cc(ccc1N(CCC2)C)CN    		 1-(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methanamine
    39413 R9Z 2 C24 H24 Cl N3 O4 S InChI=1S/C24H24ClN3O4S/c1
    -32-24(8-9-24)15-33(30,31
    )28-13-17-6-7-18(25)10-20
    (17)21(14-28)23(29)27-22-
    12-26-11-16-4-2-3-5-19(16
    )22/h2-7,10-12,21H,8-9,13
    -15H2,1H3,(H,27,29)/t21-/
    m1/s1;
    XRLQZDQTHAVICV-OAQYLSRUSA-N    		 COC1(CC1)CS(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C
    (=O)Nc1cncc2ccccc21; COC1(CC1)C[S](=O)(=
    O)N2C[CH](C(=O)Nc3cncc4ccccc34)c5cc(Cl)c
    cc5C2; COC1(CC1)C[S](=O)(=O)N2C[C@@H](C(
    =O)Nc3cncc4ccccc34)c5cc(Cl)ccc5C2; COC1(
    CC1)CS(=O)(=O)N2Cc3ccc(cc3C(C2)C(=O)Nc4c
    ncc5c4cccc5)Cl; COC1(CC1)CS(=O)(=O)N2Cc3
    ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5)Cl    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39414 RA0 2 C20 H20 N2 O2 InChI=1S/C20H20N2O2/c1-2-
    22(17-8-5-6-15(14-17)10-1
    3-20(23)24)19-12-11-16-7-
    3-4-9-18(16)21-19/h3-9,11
    -12,14H,2,10,13H2,1H3,(H,
    23,24);
    CGGUWDMVJGUARS-UHFFFAOYSA-N    		 CCN(c1cccc(c1)CCC(=O)O)c2ccc3ccccc3n2; O
    C(CCc1cc(ccc1)N(CC)c3nc2ccccc2cc3)=O; CC
    N(c1cccc(CCC(O)=O)c1)c2ccc3ccccc3n2    		 3-{3-[ethyl(quinolin-2-yl)amino]phenyl}propanoic acid
    39415 RA1
    ZINC000001187997    		 1 C13 H10 Cl N3 O5 S InChI=1S/C13H10ClN3O5S/c1
    4-12-7-9(17(19)20)3-6-11(
    12)13(18)16-8-1-4-10(5-2-
    8)23(15,21)22/h1-7H,(H,16
    ,18)(H2,15,21,22);
    RYNWTIXQTVFOEO-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(NC(=O)c2ccc(cc2Cl)[N+]
    ([O-])=O)cc1; c1cc(ccc1NC(=O)c2ccc(cc2Cl
    )[N+](=O)[O-])S(=O)(=O)N    		 2-chloranyl-4-nitro-~{N}-(4-sulfamoylphenyl)benzamide
    39416 RA2
    CHEMBL307189
    DB03475
    ZINC000000007642    		 1 C18 H26 N2 O5 InChI=1S/C18H26N2O5/c1-3-
    13(4-2)19-14-9-12(17(24)2
    5)5-6-15(14)20-16(23)7-8-
    18(20,10-21)11-22/h5-6,9,
    13,19,21-22H,3-4,7-8,10-1
    1H2,1-2H3,(H,24,25);
    BNIJJJRESBVRNB-UHFFFAOYSA-N    		 O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)NC(CC
    )CC; CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)CO)
    C(=O)O; CCC(CC)Nc1cc(ccc1N2C(=O)CCC2(CO)
    CO)C(O)=O    		 1-[4-CARBOXY-2-(3-PENTYLAMINO)PHENYL]-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
    39417 RA3 1 C17 H17 F N4 O4 InChI=1S/C17H17FN4O4/c18-
    9-1-2-12-13(3-9)21-16-15(
    12)17(20-8-19-16)22-5-10(
    4-14(24)25)26-11(6-22)7-2
    3/h1-3,8,10-11,23H,4-7H2,
    (H,24,25)(H,19,20,21)/t10
    -,11-/m1/s1;
    XIVZXMMBMNXYDY-GHMZBOCLSA-N    		 OC[C@H]1CN(C[C@@H](CC(O)=O)O1)c2ncnc3[nH
    ]c4cc(F)ccc4c23; OCC1CN(CC(CC(=O)O)O1)c1
    ncnc2[NH]c3cc(F)ccc3c12; c1cc2c(cc1F)[nH
    ]c3c2c(ncn3)N4CC(OC(C4)CO)CC(=O)O; OC[CH
    ]1CN(C[CH](CC(O)=O)O1)c2ncnc3[nH]c4cc(F)
    ccc4c23; c1cc2c(cc1F)[nH]c3c2c(ncn3)N4C[
    C@H](O[C@H](C4)CO)CC(=O)O    		 [(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid
    39418 RA4
    DB04771
    ZINC000016051710    		 1 C23 H35 N7 O5 InChI=1S/C23H35N7O5/c1-15
    (2)14-18(28-20(31)16-7-9-
    17(10-8-16)30(34)35)22(33
    )29-13-5-6-19(29)21(32)26
    -11-3-4-12-27-23(24)25/h7
    -10,15,18-19H,3-6,11-14H2
    ,1-2H3,(H,26,32)(H,28,31)
    (H4,24,25,27)/t18-,19-/m0
    /s1;
    FIZYZWLGMGGGBJ-OALUTQOASA-N    		 CC(C)C[C@H](NC(=O)c1ccc(cc1)[N+]([O-])=O
    )C(=O)N2CCC[C@H]2C(=O)NCCCCNC(N)=N; O=C(
    NCCCCNC(=[N@H])N)C2N(C(=O)C(NC(=O)c1ccc(
    [N+]([O-])=O)cc1)CC(C)C)CCC2; CC(C)CC(C(
    =O)N1CCCC1C(=O)NCCCCNC(=N)N)NC(=O)c2ccc(
    cc2)[N+](=O)[O-]; CC(C)C[CH](NC(=O)c1ccc
    (cc1)[N+]([O-])=O)C(=O)N2CCC[CH]2C(=O)NC
    CCCNC(N)=N; [H]/N=C(\N)/NCCCCNC(=O)[C@@H
    ]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)c2ccc(cc2
    )[N+](=O)[O-]    		 N-(4-NITROBENZOYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE;
    1-GUANIDINO-4-(N-NITRO-BENZOYLAMINO-L-LEUCYL-L-PROLYLAMINO)BUTANE
    39419 RA5
    CHEMBL2164284
    ZINC000000778550    		 1 C17 H14 N2 O6 S InChI=1S/C17H14N2O6S/c1-2
    4-14-4-2-3-10-9-13(17(21)
    25-15(10)14)16(20)19-11-5
    -7-12(8-6-11)26(18,22)23/
    h2-9H,1H3,(H,19,20)(H2,18
    ,22,23);
    DOVOVWITCHWXJD-UHFFFAOYSA-N    		 COc1cccc2c1OC(=O)C(=C2)C(=O)Nc3ccc(cc3)S
    (=O)(=O)N; COc1cccc2C=C(C(=O)Nc3ccc(cc3)
    [S](N)(=O)=O)C(=O)Oc12    		 8-methoxy-2-oxidanylidene-~{N}-(4-sulfamoylphenyl)chromene-3-carboxamide
    39420 RA7
    ZINC000012370715    		 5 C8 H12 N2 O2 S InChI=1S/C8H12N2O2S/c11-6
    -7-5-9-8(13-7)10-1-3-12-4
    -2-10/h5,11H,1-4,6H2;
    VRNQHSDSVNEOKR-UHFFFAOYSA-N    		 C1CN(CCO1)c2sc(CO)cn2; OCc1sc(nc1)N2CCOC
    C2; c1c(sc(n1)N2CCOCC2)CO    		 [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
    39421 RA8
    DB04772
    ZINC000016051709    		 1 C23 H38 N6 O4 S InChI=1S/C23H38N6O4S/c1-1
    7(2)15-19(28-34(32,33)16-
    18-9-4-3-5-10-18)22(31)29
    -14-8-11-20(29)21(30)26-1
    2-6-7-13-27-23(24)25/h3-5
    ,9-10,17,19-20,28H,6-8,11
    -16H2,1-2H3,(H,26,30)(H4,
    24,25,27)/t19-,20-/m0/s1;
    DSVCYWOHJLRGMK-PMACEKPBSA-N    		 CC(C)C[CH](N[S](=O)(=O)Cc1ccccc1)C(=O)N2
    CCC[CH]2C(=O)NCCCCNC(N)=N; CC(C)CC(C(=O)
    N1CCCC1C(=O)NCCCCNC(=N)N)NS(=O)(=O)Cc2cc
    ccc2; O=C(NCCCCNC(=[N@H])N)C2N(C(=O)C(NS
    (=O)(=O)Cc1ccccc1)CC(C)C)CCC2; CC(C)C[C@
    H](N[S](=O)(=O)Cc1ccccc1)C(=O)N2CCC[C@H]
    2C(=O)NCCCCNC(N)=N; [H]/N=C(/N)\NCCCCNC(
    =O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NS(=O)(
    =O)Cc2ccccc2    		 N-(BENZYLSULFONYL)-L-LEUCYL-N-(4-{[AMINO(IMINO)METHYL]AMINO}BUTYL)-L-PROLINAMIDE;
    1-GUANIDINO-4-(N-PHENYLMETHANESULFONYL-L-LEUCYL-L-PROLYLAMINO)BUTANE
    39422 RA9
    ZINC000002260391    		 2 C10 H11 N5 O3 S3 InChI=1S/C10H11N5O3S3/c11
    -9-14-15-10(20-9)19-5-8(1
    6)13-6-1-3-7(4-2-6)21(12,
    17)18/h1-4H,5H2,(H2,11,14
    )(H,13,16)(H2,12,17,18);
    XOOCPGSAGIALAP-UHFFFAOYSA-N    		 c1cc(ccc1NC(=O)CSc2nnc(s2)N)S(=O)(=O)N;
    Nc1sc(SCC(=O)Nc2ccc(cc2)[S](N)(=O)=O)nn1    		 2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamide
    39423 RAA 0 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3-,4+,5+,6+/m0/s
    1;
    SHZGCJCMOBCMKK-HGVZOGFYSA-N    		 C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1
    O; OC1C(O)C(OC(O)C1O)C; C[C@H]1[C@@H]([C
    @H]([C@H]([C@@H](O1)O)O)O)O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 ALPHA-RHAMNOSE
    39424 RAB
    CHEMBL1090
    DB00194
    ZINC000000970363    		 7 C10 H13 N5 O4 InChI=1S/C10H13N5O4/c11-8
    -5-9(13-2-12-8)15(3-14-5)
    10-7(18)6(17)4(1-16)19-10
    /h2-4,6-7,10,16-18H,1H2,(
    H2,11,12,13)/t4-,6-,7+,10
    -/m1/s1;
    OIRDTQYFTABQOQ-UHTZMRCNSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@H]([C@@H]([C@
    H](O3)CO)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO)[CH](O)[CH]3O; n2c1c(ncnc1n(c2)C3O
    C(C(O)C3O)CO)N; Nc1ncnc2n(cnc12)[C@@H]3O
    [C@H](CO)[C@@H](O)[C@@H]3O; c1nc(c2c(n1)
    n(cn2)C3C(C(C(O3)CO)O)O)N    		 2-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL;
    9-BETA-D-ARABINOFURANOSYL-ADENINE
    39425 RAC
    ZINC000002047722    		 2 C18 H18 N2 O5 InChI=1S/C18H18N2O5/c1-20
    (2)16(21)14-5-3-4-6-15(14
    )19-18(24)25-11-12-7-9-13
    (10-8-12)17(22)23/h3-10H,
    11H2,1-2H3,(H,19,24)(H,22
    ,23);
    WBKIRHATIRDZAH-UHFFFAOYSA-N    		 CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)C(=O
    )O; CN(C)C(=O)c1ccccc1NC(=O)OCc2ccc(cc2)
    C(O)=O; O=C(N(C)C)c1ccccc1NC(=O)OCc2ccc(
    cc2)C(=O)O    		 4-(2-DIMETHYLCARBAMOYL-PHENYLCARBAMOYLOXYMETHYL)-BENZOIC ACID
    39426 RAD
    CHEMBL4287588
    ZINC000169736463    		 4 C52 H81 N O13 InChI=1S/C52H81NO13/c1-11
    -64-43-29-39-22-20-37(8)5
    2(61,66-39)49(58)50(59)53
    -24-16-15-19-40(53)51(60)
    65-44(34(5)27-38-21-23-41
    (54)45(28-38)62-9)30-42(5
    5)33(4)26-36(7)47(57)48(6
    3-10)46(56)35(6)25-31(2)1
    7-13-12-14-18-32(43)3/h12
    -14,17-18,26,31,33-35,37-
    41,43-45,47-48,54,57,61H,
    11,15-16,19-25,27-30H2,1-
    10H3/b14-12+,17-13+,32-18
    +,36-26+/t31-,33-,34-,35-
    ,37-,38+,39+,40+,41-,43+,
    44+,45-,47-,48+,52-/m1/s1;
    GPZGXSFHPLUMHE-JQEUAWNDSA-N    		 CCO[CH]1C[CH]2CC[CH](C)[C](O)(O2)C(=O)C(
    =O)N3CCCC[CH]3C(=O)O[CH](CC(=O)[CH](C)C=
    C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C)C
    =CC=CC=C1C)[CH](C)C[CH]4CC[CH](O)[CH](C4
    )OC; O=C2C(C)CC(C=CC=CC=C(C)C(OCC)CC4OC(
    O)(C(=O)C(=O)N3C(C(=O)OC(C(C)CC1CCC(O)C(
    OC)C1)CC(=O)C(C=C(C)C(O)C2OC)C)CCCC3)C(C
    C4)C)C; CCOC1CC2CCC(C(O2)(C(=O)C(=O)N3CC
    CCC3C(=O)OC(CC(=O)C(C=C(C(C(C(=O)C(CC(C=
    CC=CC=C1C)C)C)OC)O)C)C)C(C)CC4CCC(C(C4)O
    C)O)O)C; CCO[C@H]\1C[C@@H]2CC[C@@H](C)[C
    @@](O)(O2)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C
    @@H](CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@
    H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C
    \1C)[C@H](C)C[C@@H]4CC[C@@H](O)[C@@H](C4
    )OC; CCO[C@H]\1C[C@@H]2CC[C@H]([C@@](O2)
    (C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H](CC(=
    O)[C@@H](/C=C(/[C@H]([C@H](C(=O)[C@@H](C
    [C@@H](/C=C/C=C/C=C1\C)C)C)OC)O)\C)C)[C@
    H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O)O)C    		 C49-METHYL RAPAMYCIN
    39427 RAE 1 C6 H12 O4 InChI=1S/C6H12O4/c1-3-6(9
    )4(7)2-5(8)10-3/h3-9H,2H2
    ,1H3/t3-,4-,5+,6-/m0/s1;
    FDWRIIDFYSUTDP-AZGQCCRYSA-N    		 OC1C(OC(O)CC1O)C; C[CH]1O[CH](O)C[CH](O)
    [CH]1O; C[C@H]1[C@@H]([C@H](C[C@@H](O1)O
    )O)O; C[C@@H]1O[C@@H](O)C[C@H](O)[C@H]1O
    ; CC1C(C(CC(O1)O)O)O    		 alpha-L-Olivopyranose;
    alpha-L-Olivose;
    2,6-dideoxy-alpha-L-arabino-hexopyranose;
    2,6-dideoxy-alpha-L-glucopyranose;
    2,6-dideoxy-alpha-L-mannopyranose;
    2-deoxy-alpha-L-quinovopyranose;
    2-deoxy-alpha-L-rhamnoopyranose;
    L-Olivose;
    Olivose;
    2-DEOXY-ALPHA-RHAMNOSE
    39428 RAF
    CHEMBL603717
    DB16839    		 0 C18 H32 O16 InChI=1S/C18H32O16/c19-1-
    5-8(22)11(25)13(27)16(31-
    5)30-3-7-9(23)12(26)14(28
    )17(32-7)34-18(4-21)15(29
    )10(24)6(2-20)33-18/h5-17
    ,19-29H,1-4H2/t5-,6-,7-,8
    +,9-,10-,11+,12+,13-,14-,
    15+,16+,17-,18+/m1/s1;
    MUPFEKGTMRGPLJ-ZQSKZDJDSA-N    		 C([C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)OC
    [C@@H]2[C@H]([C@@H]([C@H]([C@H](O2)O[C@]
    3([C@H]([C@@H]([C@H](O3)CO)O)O)CO)O)O)O)
    O)O)O)O; OC[C@H]1O[C@H](OC[C@H]2O[C@H](O
    [C@]3(CO)O[C@H](CO)[C@@H](O)[C@@H]3O)[C@
    H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)
    [C@H]1O; O2C(COC1OC(CO)C(O)C(O)C1O)C(O)C
    (O)C(O)C2OC3(OC(C(O)C3O)CO)CO; C(C1C(C(C
    (C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)CO)O)O
    )CO)O)O)O)O)O)O)O; OC[CH]1O[CH](OC[CH]2O
    [CH](O[C]3(CO)O[CH](CO)[CH](O)[CH]3O)[CH
    ](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O    		 raffinose
    39429 RAH
    ZINC000096095525    		 3 C6 H13 O11 P S InChI=1S/C6H13O11PS/c7-4-
    3(1-19(13,14)15)17-6(9,5(
    4)8)2-16-18(10,11)12/h3-5
    ,7-9H,1-2H2,(H2,10,11,12)
    (H,13,14,15)/t3-,4-,5+,6-
    /m1/s1;
    IZVMCURFIBVEOJ-ARQDHWQXSA-N    		 C(C1C(C(C(O1)(COP(=O)(O)O)O)O)O)S(=O)(=O
    )O; O[C@H]1[C@H](O)[C@@](O)(CO[P](O)(O)=
    O)O[C@@H]1C[S](O)(=O)=O; O[CH]1[CH](O)[C
    ](O)(CO[P](O)(O)=O)O[CH]1C[S](O)(=O)=O;
    C([C@@H]1[C@H]([C@@H]([C@](O1)(COP(=O)(O
    )O)O)O)O)S(=O)(=O)O    		 [(2~{S},3~{S},4~{S},5~{R})-3,4,5-tris(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]methanesulfonic acid;
    6-deoxy-6-sulfo-D-fructose 1-phosphate
    39430 RAI
    CHEMBL308497
    ZINC000002047890    		 1 C14 H18 N4 O5 InChI=1S/C14H18N4O5/c15-1
    3(16)17-9-5-8(12(22)23)1-
    2-10(9)18-11(21)3-4-14(18
    ,6-19)7-20/h1-2,5,19-20H,
    3-4,6-7H2,(H,22,23)(H4,15
    ,16,17);
    IRNYFKBSAARAHR-UHFFFAOYSA-N    		 c1cc(c(cc1C(=O)O)NC(=N)N)N2C(=O)CCC2(CO)
    CO; O=C(O)c1cc(c(cc1)N2C(=O)CCC2(CO)CO)N
    C(=[N@H])N; NC(=N)Nc1cc(ccc1N2C(=O)CCC2(
    CO)CO)C(O)=O    		 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE
    39431 RAJ
    CHEMBL221484
    ZINC000008582033    		 2 C29 H29 F3 N6 O InChI=1S/C29H29F3N6O/c1-1
    9-8-9-21(16-26(19)37-27-2
    4(7-4-11-34-27)25-10-12-3
    3-18-35-25)28(39)36-23-15
    -20(6-5-13-38(2)3)14-22(1
    7-23)29(30,31)32/h4,7-12,
    14-18H,5-6,13H2,1-3H3,(H,
    34,37)(H,36,39);
    OHHGYJBFPVJURR-UHFFFAOYSA-N    		 FC(F)(F)c1cc(cc(c1)NC(=O)c2cc(c(cc2)C)Nc
    3ncccc3c4ncncc4)CCCN(C)C; Cc1ccc(cc1Nc2c
    (cccn2)c3ccncn3)C(=O)Nc4cc(cc(c4)C(F)(F)
    F)CCCN(C)C; CN(C)CCCc1cc(NC(=O)c2ccc(C)c
    (Nc3ncccc3c4ccncn4)c2)cc(c1)C(F)(F)F    		 N-{3-[3-(DIMETHYLAMINO)PROPYL]-5-(TRIFLUOROMETHYL)PHENYL}-4-METHYL-3-[(3-PYRIMIDIN-4-YLPYRIDIN-2-YL)AMINO]BENZAMIDE
    39432 RAK 4 C9 H10 F4 N2 O2 S2 InChI=1S/C9H10F4N2O2S2/c1
    -15-19(16,17)9-6(12)4(10)
    8(18-3-2-14)5(11)7(9)13/h
    15H,2-3,14H2,1H3;
    ZDIWWYOQIMEWPE-UHFFFAOYSA-N    		 CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F; C
    NS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F    		 4-(2-azanylethylsulfanyl)-2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-benzenesulfonamide
    39433 RAL
    CHEMBL81
    DB00481
    ZINC000000538275    		 28 C28 H27 N O4 S InChI=1S/C28H27NO4S/c30-2
    1-8-4-20(5-9-21)28-26(24-
    13-10-22(31)18-25(24)34-2
    8)27(32)19-6-11-23(12-7-1
    9)33-17-16-29-14-2-1-3-15
    -29/h4-13,18,30-31H,1-3,1
    4-17H2;
    GZUITABIAKMVPG-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2sc3cc(O)ccc3c2C(=O)c4ccc(OC
    CN5CCCCC5)cc4; c1cc(ccc1c2c(c3ccc(cc3s2)
    O)C(=O)c4ccc(cc4)OCCN5CCCCC5)O; O=C(c1c3
    ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCCC
    4)cc5    		 RALOXIFENE
    39434 RAM
    ZINC000003861280    		 148 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3-,4+,5+,6+/m0/s
    1;
    SHZGCJCMOBCMKK-HGVZOGFYSA-N    		 C[C@@H]1O[C@@H](O)[C@H](O)[C@H](O)[C@H]1
    O; OC1C(O)C(OC(O)C1O)C; C[C@H]1[C@@H]([C
    @H]([C@H]([C@@H](O1)O)O)O)O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 alpha-L-rhamnopyranose;
    alpha-L-rhamnose;
    6-deoxy-alpha-L-mannopyranose;
    L-rhamnose;
    rhamnose
    39435 RAN 0 C8 H18 N O9 P InChI=1S/C8H18NO9P/c1-3(1
    0)9-5-7(12)6(11)4(18-8(5)
    13)2-17-19(14,15)16/h3-13
    H,2H2,1H3,(H2,14,15,16)/t
    3?,4-,5-,6-,7-,8+/m1/s1;
    IXJMOIFMGWFZBQ-NKWOADHPSA-N    		 CC(NC1C(C(C(OC1O)COP(=O)(O)O)O)O)O; O=P(
    O)(O)OCC1OC(O)C(NC(O)C)C(O)C1O; CC(N[C@@
    H]1[C@H]([C@@H]([C@H](O[C@@H]1O)COP(=O)(
    O)O)O)O)O; C[C@@H](O)N[C@H]1[C@@H](O)O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@@H]1O; C[C
    H](O)N[CH]1[CH](O)O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]1O    		 PHOSPHORIC ACID MONO-[3,4,6-TRIHYDROXY-5-(1-HYDROXY-ETHYLAMINO)-TETRAHYDRO-PYRAN-2-YLMETHYL] ESTER
    39436 RAO
    ZINC000005752253    		 0 C7 H14 O5 InChI=1S/C7H14O5/c1-3-4(8
    )5(9)6(10)7(11-2)12-3/h3-
    10H,1-2H3/t3-,4-,5+,6+,7+
    /m0/s1;
    OHWCAVRRXKJCRB-PAMBMQIZSA-N    		 CC1C(C(C(C(O1)OC)O)O)O; C[C@H]1[C@@H]([C
    @H]([C@H]([C@@H](O1)OC)O)O)O; CO[C@@H]1O
    [C@@H](C)[C@H](O)[C@@H](O)[C@H]1O; OC1C(
    O)C(O)C(OC1OC)C; CO[CH]1O[CH](C)[CH](O)[
    CH](O)[CH]1O    		 methyl 6-deoxy-alpha-L-rhamnopyranoside;
    1-O-METHYL-ALPHA-RHAMNOSE;
    methyl 6-deoxy-alpha-L-mannopyranoside;
    methyl 6-deoxy-alpha-L-rhamnoside;
    methyl 6-deoxy-L-rhamnoside;
    methyl 6-deoxy-rhamnoside
    39437 RAP
    CHEMBL413
    DB00877
    ZINC000169289388    		 44 C51 H79 N O13 InChI=1S/C51H79NO13/c1-30
    -16-12-11-13-17-31(2)42(6
    1-8)28-38-21-19-36(7)51(6
    0,65-38)48(57)49(58)52-23
    -15-14-18-39(52)50(59)64-
    43(33(4)26-37-20-22-40(53
    )44(27-37)62-9)29-41(54)3
    2(3)25-35(6)46(56)47(63-1
    0)45(55)34(5)24-30/h11-13
    ,16-17,25,30,32-34,36-40,
    42-44,46-47,53,56,60H,14-
    15,18-24,26-29H2,1-10H3/b
    13-11+,16-12+,31-17+,35-2
    5+/t30-,32-,33-,34-,36-,3
    7+,38+,39+,40-,42+,43+,44
    -,46-,47+,51-/m1/s1;
    QFJCIRLUMZQUOT-HPLJOQBZSA-N    		 C[C@@H]1CC[C@H]2C[C@@H](C(=CC=C\C=C\[C@H
    ](C[C@H](C(=O)[C@@H]([C@@H](/C(=C/[C@H](
    C(=O)C[C@H](OC(=O)[C@@H]3CCCCN3C(=O)C(=O
    )[C@@]1(O2)O)[C@H](C)C[C@@H]4CC[C@H]([C@
    @H](C4)OC)O)C)/C)O)OC)C)C)C)OC; CO[CH]1C
    [CH](CC[CH]1O)C[CH](C)[CH]2CC(=O)[CH](C)
    C=C(C)[CH](O)[CH](OC)C(=O)[CH](C)C[CH](C
    )C=CC=CC=C(C)[CH](C[CH]3CC[CH](C)[C](O)(
    O3)C(=O)C(=O)N4CCCC[CH]4C(=O)O2)OC; O=C2
    C(C)CC(C=CC=CC=C(C)C(OC)CC4OC(O)(C(=O)C(
    =O)N3C(C(=O)OC(C(C)CC1CCC(O)C(OC)C1)CC(=
    O)C(C=C(C)C(O)C2OC)C)CCCC3)C(CC4)C)C; CC
    1CCC2CC(C(=CC=CC=CC(CC(C(=O)C(C(C(=CC(C(
    =O)CC(OC(=O)C3CCCCN3C(=O)C(=O)C1(O2)O)C(
    C)CC4CCC(C(C4)OC)O)C)C)O)OC)C)C)C)OC; CO
    [C@@H]1C[C@@H](CC[C@H]1O)C[C@@H](C)[C@@H
    ]2CC(=O)[C@H](C)/C=C(C)/[C@@H](O)[C@@H](
    OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(C)
    /[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(
    =O)C(=O)N4CCCC[C@H]4C(=O)O2)OC    		 RAPAMYCIN IMMUNOSUPPRESSANT DRUG
    39438 RAQ 2 C25 H26 Cl N3 O4 S InChI=1S/C25H26ClN3O4S/c2
    6-20-6-5-19-14-29(34(31,3
    2)16-17-7-9-33-10-8-17)15
    -23(22(19)11-20)25(30)28-
    24-13-27-12-18-3-1-2-4-21
    (18)24/h1-6,11-13,17,23H,
    7-10,14-16H2,(H,28,30)/t2
    3-/m1/s1;
    UZYMUGANHORAQE-HSZRJFAPSA-N    		 c1ccc2c(c1)cncc2NC(=O)C3CN(Cc4c3cc(cc4)C
    l)S(=O)(=O)CC5CCOCC5; Clc1ccc2CN(C[CH](C
    (=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=O)CC5C
    COCC5; c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(C
    c4c3cc(cc4)Cl)S(=O)(=O)CC5CCOCC5; Clc1cc
    c2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)c2c1)[
    S](=O)(=O)CC5CCOCC5; O=S(=O)(CC1CCOCC1)N
    1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39439 RAR
    CHEMBL1235617
    ZINC000043100694    		 11 C27 H30 N6 O3 InChI=1S/C27H30N6O3/c1-4-
    7-22-21-9-6-5-8-19(21)16-
    31-33(22)24(34)11-10-18-1
    2-17(14-23(35-2)25(18)36-
    3)13-20-15-30-27(29)32-26
    (20)28/h5-6,8-12,14-16,22
    H,4,7,13H2,1-3H3,(H4,28,2
    9,30,32)/b11-10+/t22-/m0/
    s1;
    YGDVMSPWZQHNMB-NEQMZLFVSA-N    		 CCC[CH]1N(N=Cc2ccccc12)C(=O)C=Cc3cc(Cc4c
    nc(N)nc4N)cc(OC)c3OC; CCCC1c2ccccc2C=NN1
    C(=O)C=Cc3cc(cc(c3OC)OC)Cc4cnc(nc4N)N; C
    CC[C@H]1c2ccccc2C=NN1C(=O)\C=C\c3cc(cc(c
    3OC)OC)Cc4cnc(nc4N)N; CCC[C@@H]1N(N=Cc2c
    cccc12)C(=O)\C=C\c3cc(Cc4cnc(N)nc4N)cc(O
    C)c3OC; O=C(N2N=Cc1c(cccc1)C2CCC)\C=C\c3
    cc(cc(OC)c3OC)Cc4cnc(nc4N)N    		 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine;
    (S)-3-(5-((2,4-diaminopyrimidin-5-yl)methyl)-2,3-dimethoxyphenyl)-1-(1-propylphthalazin-2(1H)-yl)prop-2-en-1-one
    39440 RAS
    ZINC000016051424    		 6 C12 H15 N InChI=1S/C12H15N/c1-2-9-1
    3-12-8-7-10-5-3-4-6-11(10
    )12/h2-6,12-13H,1,7-9H2/t
    12-/m1/s1;
    RPAZWTZFMPXUKS-GFCCVEGCSA-N    		 C=CCNC1CCc2c1cccc2; c1cccc2c1CCC2NC/C=C;
    C=CCN[C@@H]1CCc2c1cccc2; C=CCN[CH]1CCc2
    ccccc12; C=CCN[C@@H]1CCc2ccccc12    		 (1R)-N-(prop-2-en-1-yl)-2,3-dihydro-1H-inden-1-amine;
    RASAGILINE, BOUND FORM
    39441 RAT
    ZINC000001564966    		 14 C5 H8 O7 InChI=1S/C5H8O7/c6-1(2(7)
    4(9)10)3(8)5(11)12/h1-3,6
    -8H,(H,9,10)(H,11,12)/t2-
    ,3-/m0/s1;
    NPTTZSYLTYJCPR-HRFVKAFMSA-N    		 O[C@@H]([C@H](O)C(O)=O)[C@H](O)C(O)=O; C
    ([C@@H](C(=O)O)O)([C@@H](C(=O)O)O)O; O[C
    H]([CH](O)C(O)=O)[CH](O)C(O)=O; O=C(O)C(
    O)C(O)C(O)C(=O)O; C(C(C(=O)O)O)(C(C(=O)O
    )O)O    		 D-arabinaric acid;
    D-arabinarate
    39442 RAU
    CHEMBL887
    DB01367
    ZINC000019875504    		 16 C12 H13 N InChI=1S/C12H13N/c1-2-9-1
    3-12-8-7-10-5-3-4-6-11(10
    )12/h1,3-6,12-13H,7-9H2/t
    12-/m1/s1;
    RUOKEQAAGRXIBM-GFCCVEGCSA-N    		 C#CCNC1CCc2c1cccc2; C#CCN[C@@H]1CCc2c1cc
    cc2; C#CCN[C@@H]1CCc2ccccc12; C#CCN[CH]1
    CCc2ccccc12    		 RASAGILINE
    39443 RAV
    ZINC000013545636    		 1 C11 H18 N2 O3 InChI=1S/C11H18N2O3/c1-4-
    6-7(3)11(5-2)8(14)12-10(1
    6)13-9(11)15/h7H,4-6H2,1-
    3H3,(H2,12,13,14,15,16)/t
    7-/m0/s1;
    WEXRUCMBJFQVBZ-ZETCQYMHSA-N    		 CCC[CH](C)C1(CC)C(=O)NC(=O)NC1=O; CCC[C@
    H](C)C1(C(=O)NC(=O)NC1=O)CC; CCC[C@H](C)
    C1(CC)C(=O)NC(=O)NC1=O; CCCC(C)C1(C(=O)N
    C(=O)NC1=O)CC; O=C1NC(=O)NC(=O)C1(C(C)CC
    C)CC    		 5-ethyl-5-[(2S)-pentan-2-yl]pyrimidine-2,4,6(1H,3H,5H)-trione;
    Pentobarbital
    39444 RAW 0 C40 H54 O InChI=1S/C40H54O/c1-30(18
    -13-20-32(3)23-25-36-34(5
    )22-15-28-39(36,7)8)16-11
    -12-17-31(2)19-14-21-33(4
    )24-26-37-35(6)38(41)27-2
    9-40(37,9)10/h11-14,16-21
    ,23-26H,15,22,27-29H2,1-1
    0H3/b12-11+,18-13+,19-14+
    ,25-23+,26-24+,30-16+,31-
    17+,32-20+,33-21+;
    QXNWZXMBUKUYMD-QQGJMDNJSA-N    		 CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=C
    /C=C(\C)/C=C/C=C(\C)/C=C/C2=C(C(=O)CCC2(
    C)C)C)/C)/C; CC(=CC=CC=C(C)C=CC=C(C)C=CC
    1=C(C)C(=O)CCC1(C)C)C=CC=C(C)C=CC2=C(C)C
    CCC2(C)C; CC(=C\C=C\C=C(C)\C=C\C=C(C)\C=
    C\C1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C
    2=C(C)CCCC2(C)C; CC1=C(C(CCC1)(C)C)C=CC(
    =CC=CC(=CC=CC=C(C)C=CC=C(C)C=CC2=C(C(=O)
    CCC2(C)C)C)C)C; O=C2C(=C(\C=C\C(=C\C=C\C
    (=C\C=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C
    )C)C)C)C)C)C(C)(C)CC2)C    		 beta,beta-caroten-4-one
    39445 RAX 4 C13 H20 Cl2 N3 P Ru InChI=1S/C7H8.C6H12N3P.2C
    lH.Ru/c1-7-5-3-2-4-6-7;1-
    7-2-9-3-8(1)5-10(4-7)6-9;
    ;;/h2-6H,1H3;1-6H2;2*1H;/
    q;;;;+1/p-1;
    HQZSVEABAKKRLM-UHFFFAOYSA-M    		 Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)
    Cl; Cc1ccccc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C
    4    		 dichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
    39446 RAY
    ZINC000040479819    		 5 C11 H14 F N O3 InChI=1S/C11H14FNO3/c1-15
    -5-6-16-8-11(14)13-10-4-2
    -3-9(12)7-10/h2-4,7H,5-6,
    8H2,1H3,(H,13,14);
    DGGIZNHJWLTAAM-UHFFFAOYSA-N    		 COCCOCC(=O)Nc1cccc(F)c1; COCCOCC(=O)Nc1c
    ccc(c1)F; C(COCCOC)(Nc1cccc(c1)F)=O    		 N-(3-fluorophenyl)-2-(2-methoxyethoxy)acetamide
    39447 RAZ
    DB03985    		 1 C14 H26 N InChI=1S/C14H25N/c1-12(2)
    6-5-11-15(4)14-9-7-13(3)8
    -10-14/h6-7,14H,5,8-11H2,
    1-4H3/p+1/t14-/m1/s1;
    GGPFTSMJRHEOJG-CQSZACIVSA-O    		 C[NH+](CCC=C(C)C)[C@H]1CCC(=CC1)C; CC1=C
    CC(CC1)[NH+](C)CCC=C(C)C; CC1=CC[C@H](CC
    1)[NH+](C)CCC=C(C)C; C1=C(C)CCC([NH+](C)
    CC\C=C(/C)C)C1; C[NH+](CCC=C(C)C)[CH]1CC
    C(=CC1)C    		 (1R)-N,4-DIMETHYL-N-(4-METHYLPENT-3-ENYL)CYCLOHEX-3-ENAMINIUM;
    (4R)-7-AZABISABOLENE;
    R-AZABISABOLENE
    39448 RB 23 Rb InChI=1S/Rb/q+1;
    NCCSSGKUIKYAJD-UHFFFAOYSA-N    		 [Rb+] RUBIDIUM ION
    39449 RB0
    CHEMBL96783
    DB11195
    ZINC000100014205    		 25 C5 H12 O5 InChI=1S/C5H12O5/c6-1-3(8
    )5(10)4(9)2-7/h3-10H,1-2H
    2/t3-,4+,5-;
    HEBKCHPVOIAQTA-ZXFHETKHSA-N    		 C(C(C(C(CO)O)O)O)O; OC[CH](O)[CH](O)[CH]
    (O)CO; OC(CO)C(O)C(O)CO; C([C@H](C([C@H]
    (CO)O)O)O)O; OC[C@H](O)[C@H](O)[C@H](O)C
    O    		 D-ribitol
    39450 RB1
    CHEMBL259420
    DB08461
    ZINC000029050722    		 1 C16 H19 N5 O InChI=1S/C16H19N5O/c1-16(
    2,3)21-15-13(14(17)18-9-1
    9-15)12(20-21)8-10-5-4-6-
    11(22)7-10/h4-7,9,22H,8H2
    ,1-3H3,(H2,17,18,19);
    QMAIQPBRCNEJAT-UHFFFAOYSA-N    		 n1c(c2c(nc1)n(nc2Cc3cccc(O)c3)C(C)(C)C)N
    ; CC(C)(C)n1c2c(c(n1)Cc3cccc(c3)O)c(ncn2
    )N; CC(C)(C)n1nc(Cc2cccc(O)c2)c3c(N)ncnc
    13    		 3-[(4-AMINO-1-TERT-BUTYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)METHYL]PHENOL
    39451 RB2 1 C10 H20 Cl N O5 InChI=1S/C10H20ClNO5/c1-1
    7-10(16)6-4-5(11)2-3-7(6)
    12-8(13)9(14)15/h5-10,12-
    16H,2-4H2,1H3/t5-,6?,7-,8
    ?,10+/m0/s1;
    ZCXQIUYGWAQWDL-MOQQMVQXSA-N    		 CO[C@@H](O)[C@H]1C[C@@H](Cl)CC[C@@H]1N[C
    @@H](O)C(O)O; COC(C1CC(CCC1NC(C(O)O)O)Cl
    )O; CO[CH](O)[CH]1C[CH](Cl)CC[CH]1N[CH](
    O)C(O)O; ClC1CC(C(NC(O)C(O)O)CC1)C(O)OC    		 2-({4-CHLORO-2-[HYDROXY(METHOXY)METHYL]CYCLOHEXYL}AMINO)ETHANE-1,1,2-TRIOL
    39452 RB3
    DB04773
    ZINC000058638370    		 3 C13 H22 O7 InChI=1S/C13H22O7/c1-8(14
    )5-12(16)19-10(3)7-13(17)
    20-9(2)6-11(15)18-4/h8-10
    ,14H,5-7H2,1-4H3/t8-,9-,1
    0-/m1/s1;
    WGAHBMKAEWUQKL-OPRDCNLKSA-N    		 CC(CC(=O)OC(C)CC(=O)OC(C)CC(=O)OC)O; O=C
    (OC(C)CC(=O)OC(CC(=O)OC)C)CC(O)C; COC(=O
    )C[CH](C)OC(=O)C[CH](C)OC(=O)C[CH](C)O;
    COC(=O)C[C@@H](C)OC(=O)C[C@@H](C)OC(=O)C
    [C@@H](C)O; C[C@H](CC(=O)O[C@H](C)CC(=O)
    O[C@H](C)CC(=O)OC)O    		 (1R)-3-{[(1R)-3-METHOXY-1-METHYL-3-OXOPROPYL]OXY}-1-METHYL-3-OXOPROPYL (3R)-3-HYDROXYBUTANOATE;
    METHYL (3R)-3-{[(3R)-3-{[(3R)-3-HYDROXYBUTANOYL]OXY}BUTANOYL]OXY}BUTANOATE
    39453 RB4
    ZINC000098209351    		 1 C25 H25 N3 O3 S InChI=1S/C25H25N3O3S/c1-2
    -31-25(30)23-20(17-8-4-3-
    5-9-17)16-32-24(23)28-22(
    29)15-26-13-12-18-14-27-2
    1-11-7-6-10-19(18)21/h3-1
    1,14,16,26-27H,2,12-13,15
    H2,1H3,(H,28,29);
    VLWAROLSXORELU-UHFFFAOYSA-N    		 CCOC(=O)c1c(csc1NC(=O)CNCCc2c[nH]c3c2ccc
    c3)c4ccccc4; O=C(OCC)c2c(scc2c1ccccc1)NC
    (=O)CNCCc4c3ccccc3nc4; CCOC(=O)c1c(NC(=O
    )CNCCc2c[nH]c3ccccc23)scc1c4ccccc4    		 ethyl 2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxylate
    39454 RB5
    DB15073
    ZINC000018168713    		 4 C5 H10 O5 InChI=1S/C5H10O5/c6-1-3(8
    )5(10)4(9)2-7/h1,3-5,7-10
    H,2H2/t3-,4+,5-/m0/s1;
    PYMYPHUHKUWMLA-LMVFSUKVSA-N    		 OC[C@@H](O)[C@@H](O)[C@@H](O)C=O; O=CC(O
    )C(O)C(O)CO; C([C@H]([C@H]([C@H](C=O)O)O
    )O)O; OC[CH](O)[CH](O)[CH](O)C=O; C(C(C(
    C(C=O)O)O)O)O    		 D-ribose
    39455 RB6
    ZINC000103555189    		 11 C20 H24 N8 O6 S2 InChI=1S/C20H24N8O6S2/c21
    -20-25-15(27-36-20)14(26-
    34)16(30)23-12(7-29)17-24
    -13(19(32)33)10(8-35-17)5
    -9-2-4-28(18(9)31)11-1-3-
    22-6-11/h2,7,11-12,17,22,
    24,34H,1,3-6,8H2,(H,23,30
    )(H,32,33)(H2,21,25,27)/b
    26-14-/t11-,12-,17-/m1/s1;
    MYAXGJQBOYOEHQ-SWBIIUODSA-N    		 Nc1snc(n1)C(=NO)C(=O)N[CH](C=O)[CH]2NC(=
    C(CS2)CC3=CCN([CH]4CCNC4)C3=O)C(O)=O; C1
    CNC[C@@H]1N2CC=C(C2=O)CC3=C(N[C@H](SC3)[
    C@@H](C=O)NC(=O)/C(=N\O)/c4nc(sn4)N)C(=O
    )O; C1CNCC1N2CC=C(C2=O)CC3=C(NC(SC3)C(C=
    O)NC(=O)C(=NO)c4nc(sn4)N)C(=O)O; O=C(O)C
    =1NC(SCC=1CC2=CCN(C2=O)C3CCNC3)C(C=O)NC(
    =O)C(=N\O)/c4nc(sn4)N; Nc1snc(n1)C(=N/O)
    /C(=O)N[C@H](C=O)[C@@H]2NC(=C(CS2)CC3=CC
    N([C@@H]4CCNC4)C3=O)C(O)=O    		 (2R)-2-[(1R)-1-{[(2Z)-2-(5-amino-1,2,4-thiadiazol-3-yl)-2-(hydroxyimino)acetyl]amino}-2-oxoethyl]-5-({2-oxo-1-[(3R)-pyr rolidin-3-yl]-2,5-dihydro-1H-pyrrol-3-yl}methyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    BAL 9141, bound form;
    ceftobiprole, bound form
    39456 RB7
    ZINC000073852589    		 18 C11 H16 Br N O2 S InChI=1S/C11H16BrNO2S/c1-
    9-7-10(3-4-11(9)12)8-13-5
    -6-16(2,14)15/h3-4,7,13H,
    5-6,8H2,1-2H3;
    ODRAFWBQWMPBEH-UHFFFAOYSA-N    		 Cc1cc(ccc1Br)CNCCS(=O)(=O)C; Cc1cc(CNCC[
    S](C)(=O)=O)ccc1Br; c1cc(Br)c(cc1CNCCS(C
    )(=O)=O)C    		 N-[(4-bromo-3-methylphenyl)methyl]-2-(methylsulfonyl)ethan-1-amine
    39457 RB8
    ZINC000096095523    		 8 C6 H12 O8 S InChI=1S/C6H12O8S/c7-2-6(
    10)5(9)4(8)3(14-6)1-15(11
    ,12)13/h3-5,7-10H,1-2H2,(
    H,11,12,13)/t3-,4-,5+,6-/
    m1/s1;
    QTQNAYQDKCBJTC-ARQDHWQXSA-N    		 OC[C]1(O)O[CH](C[S](O)(=O)=O)[CH](O)[CH]
    1O; C(C1C(C(C(O1)(CO)O)O)O)S(=O)(=O)O; C
    ([C@@H]1[C@H]([C@@H]([C@](O1)(CO)O)O)O)S
    (=O)(=O)O; OC[C@@]1(O)O[C@H](C[S](O)(=O)
    =O)[C@@H](O)[C@@H]1O    		 6-deoxy-6-sulfo-D-fructose;
    [(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxolan-2-yl]methanesulfonic acid
    39458 RB9
    ZINC000098209352    		 1 C30 H28 N4 O2 S InChI=1S/C30H28N4O2S/c35-
    27(19-31-16-15-23-18-32-2
    6-14-8-7-13-24(23)26)34-3
    0-28(25(20-37-30)22-11-5-
    2-6-12-22)29(36)33-17-21-
    9-3-1-4-10-21/h1-14,18,20
    ,31-32H,15-17,19H2,(H,33,
    36)(H,34,35);
    NZMGUKNNKODUOD-UHFFFAOYSA-N    		 c1ccc(cc1)CNC(=O)c2c(csc2NC(=O)CNCCc3c[n
    H]c4c3cccc4)c5ccccc5; O=C(CNCCc1c[nH]c2c
    cccc12)Nc3scc(c4ccccc4)c3C(=O)NCc5ccccc5
    ; O=C(Nc2scc(c1ccccc1)c2C(=O)NCc3ccccc3)
    CNCCc5c4ccccc4nc5    		 N-benzyl-2-({N-[2-(1H-indol-3-yl)ethyl]glycyl}amino)-4-phenylthiophene-3-carboxamide
    39459 RBB 2 C18 H20 N4 O3 InChI=1S/C18H20N4O3/c1-18
    (2)9-22(8-11(25-18)7-14(2
    3)24)17-15-12-5-3-4-6-13(
    12)21-16(15)19-10-20-17/h
    3-6,10-11H,7-9H2,1-2H3,(H
    ,23,24)(H,19,20,21)/t11-/
    m1/s1;
    RSIOYFDJMJLVBY-LLVKDONJSA-N    		 OC(=O)CC1CN(CC(C)(C)O1)c1ncnc2[NH]c3cccc
    c3c21; CC1(C)CN(C[CH](CC(O)=O)O1)c2ncnc3
    [nH]c4ccccc4c23; CC1(C)CN(C[C@@H](CC(O)=
    O)O1)c2ncnc3[nH]c4ccccc4c23; CC1(CN(CC(O
    1)CC(=O)O)c2c3c4ccccc4[nH]c3ncn2)C; CC1(
    CN(C[C@H](O1)CC(=O)O)c2c3c4ccccc4[nH]c3n
    cn2)C    		 [(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    39460 RBC
    CHEMBL1235623
    ZINC000058661272    		 0 C32 H32 Cl N O4 InChI=1S/C32H32ClNO4/c1-3
    6-21-27-17-34-18-30(37-20
    -23-12-13-24-6-2-3-7-26(2
    4)16-23)31(27)25-14-10-22
    (11-15-25)19-38-32(35)28-
    8-4-5-9-29(28)33/h2-16,27
    ,30-31,34H,17-21H2,1H3/t2
    7-,30-,31-/m0/s1;
    MDNCEOVGVRNOIK-NAYUSWPISA-N    		 COCC1CNCC(C1c2ccc(cc2)COC(=O)c3ccccc3Cl)
    OCc4ccc5ccccc5c4; COC[CH]1CNC[CH](OCc2cc
    c3ccccc3c2)[CH]1c4ccc(COC(=O)c5ccccc5Cl)
    cc4; Clc1ccccc1C(=O)OCc2ccc(cc2)C5C(CNCC
    5OCc4cc3ccccc3cc4)COC; COC[C@@H]1CNC[C@H
    ](OCc2ccc3ccccc3c2)[C@H]1c4ccc(COC(=O)c5
    ccccc5Cl)cc4; COC[C@@H]1CNC[C@@H]([C@H]1
    c2ccc(cc2)COC(=O)c3ccccc3Cl)OCc4ccc5cccc
    c5c4    		 4-[(4R,5R)-3-(METHOXYMETHYL)-5-(2-NAPHTHYLMETHOXY)PIPERIDIN-4-YL]BENZYL 2-CHLOROBENZOATE
    39461 RBD
    ZINC000098209353    		 0 C14 H22 N5 O8 P InChI=1S/C14H22N5O8P/c20-
    7-1-11(27-10(7)4-26-28(23
    ,24)25)19-6-17-12-13(15-5
    -16-14(12)19)18-2-8(21)9(
    22)3-18/h5-11,20-25,28H,1
    -4H2/t7-,8+,9+,10+,11+/m0
    /s1;
    AFIPVZHEZSDVQA-VPJKUYQRSA-N    		 O[CH]1C[CH](O[CH]1CO[PH](O)(O)O)n2cnc3c(
    ncnc23)N4C[CH](O)[CH](O)C4; O[C@H]1C[C@@
    H](O[C@@H]1CO[PH](O)(O)O)n2cnc3c(ncnc23)
    N4C[C@@H](O)[C@H](O)C4; c1nc2c(c(n1)N3C[
    C@H]([C@@H](C3)O)O)ncn2[C@H]4C[C@@H]([C@
    H](O4)COP(O)(O)O)O; c1nc2c(c(n1)N3CC(C(C
    3)O)O)ncn2C4CC(C(O4)COP(O)(O)O)O; n3c1c(
    ncnc1N2CC(O)C(O)C2)n(c3)C4OC(C(O)C4)COP(
    O)(O)O    		 (R,R)-N6,N6-(2,3-dihydroxy-1,4-butadiyl)-2'-deoxyadenosine-5'-monophosphate
    39462 RBE
    ZINC000004805032    		 2 C15 H17 N O4 InChI=1S/C15H17NO4/c17-14
    (18)13-11-7-6-10(16-11)8-
    12(13)20-15(19)9-4-2-1-3-
    5-9/h1-5,10-13,16H,6-8H2,
    (H,17,18)/t10-,11+,12-,13
    +/m0/s1;
    CMYJDRSCSOXYHG-QNWHQSFQSA-N    		 [O-]C(=O)[CH]1[CH]2CC[CH](C[CH]1OC(=O)c3
    ccccc3)[NH2+]2; c1ccc(cc1)C(=O)O[C@H]2C[
    C@@H]3CC[C@H]([C@H]2C(=O)[O-])[NH2+]3; c
    1ccc(cc1)C(=O)OC2CC3CCC(C2C(=O)[O-])[NH2
    +]3; [O-]C(=O)[C@@H]1[C@H]2CC[C@@H](C[C@
    @H]1OC(=O)c3ccccc3)[NH2+]2; [O-]C(=O)C3C
    1[NH2+]C(CC1)CC3OC(=O)c2ccccc2    		 3-(BENZOYLOXY)-8-AZA-BICYCLO[3.2.1]OCTANE-2-CARBOXYLIC ACID;
    NOR-BENZOYLECGONINE
    39463 RBF
    CHEMBL1534
    DB00140
    ZINC000002036848    		 150 C17 H20 N4 O6 InChI=1S/C17H20N4O6/c1-7-
    3-9-10(4-8(7)2)21(5-11(23
    )14(25)12(24)6-22)15-13(1
    8-9)16(26)20-17(27)19-15/
    h3-4,11-12,14,22-25H,5-6H
    2,1-2H3,(H,20,26,27)/t11-
    ,12+,14-/m0/s1;
    AUNGANRZJHBGPY-SCRDCRAPSA-N    		 Cc1cc2N=C3C(=O)NC(=O)N=C3N(C[CH](O)[CH](
    O)[CH](O)CO)c2cc1C; Cc1cc2c(cc1C)N(C3=NC
    (=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O; Cc1cc2c
    (cc1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@
    @H]([C@@H](CO)O)O)O; Cc1cc2N=C3C(=O)NC(=
    O)N=C3N(C[C@H](O)[C@H](O)[C@H](O)CO)c2cc
    1C; N=2C(=O)NC(=O)C3=Nc1cc(C)c(C)cc1N(C=
    23)CC(O)C(O)C(O)CO    		 RIBOFLAVIN;
    RIBOFLAVINE;
    VITAMIN B2
    39464 RBG
    ZINC000006357278    		 1 C10 H20 N2 O InChI=1S/C10H20N2O/c1-10(
    2,3)12-9(13)8-6-4-5-7-11-
    8/h8,11H,4-7H2,1-3H3,(H,1
    2,13)/t8-/m1/s1;
    BZRGONFHSWNSQA-MRVPVSSYSA-N    		 CC(C)(C)NC(=O)C1CCCCN1; CC(C)(C)NC(=O)[C
    @H]1CCCCN1; CC(C)(C)NC(=O)[CH]1CCCCN1; C
    (C1CCCCN1)(=O)NC(C)(C)C    		 (2R)-N-tert-butylpiperidine-2-carboxamide
    39465 RBH 2 C14 H27 N4 O9 InChI=1S/C14H26N4O9/c15-1
    8-16-1-2-24-3-4-25-5-6-26
    -8-10(20)17-11-9(7-19)27-
    14(23)13(22)12(11)21/h9,1
    1-15,19,21-23H,1-8H2/p+1/
    t9-,11-,12+,13-,14-/m1/s1;
    RPRHCZBAXXPRCX-RGCYKPLRSA-O    		 OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(=O)
    COCCOCCOCCN=[N+]=N; C(COCCOCCOCC(=O)N[C@
    @H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)O)CO)N
    =[N+]=N; OC[C@H]1O[C@@H](O)[C@H](O)[C@@H
    ](O)[C@@H]1NC(=O)COCCOCCOCCN=[N+]=N; C(C
    OCCOCCOCC(=O)NC1C(OC(C(C1O)O)O)CO)N=[N+]
    =N    		 ~{N}-[(2~{S},3~{S},4~{S},5~{R})-2-(hydroxymethyl)-4,5,6-tris(oxidanyl)oxan-3-yl]-2-oxidanyl-ethanamide
    39466 RBJ
    ZINC000011920608    		 10 C8 H11 N O InChI=1S/C8H11NO/c1-9-6-7
    -2-4-8(10)5-3-7/h2-5,9-10
    H,6H2,1H3;
    AMKMYXVFAOJGGQ-UHFFFAOYSA-N    		 CNCc1ccc(O)cc1; CNCc1ccc(cc1)O; c1c(ccc(
    c1)CNC)O    		 4-[(methylamino)methyl]phenol
    39467 RBL
    CHEMBL195989
    ZINC000000902225    		 10 C5 H10 O5 InChI=1S/C5H10O5/c6-1-3(8
    )5(10)4(9)2-7/h3,5-8,10H,
    1-2H2/t3-,5-/m1/s1;
    ZAQJHHRNXZUBTE-NQXXGFSBSA-N    		 O=C(CO)C(O)C(O)CO; C(C(C(C(=O)CO)O)O)O;
    C([C@H]([C@H](C(=O)CO)O)O)O; OC[C@@H](O)
    [C@@H](O)C(=O)CO; OC[CH](O)[CH](O)C(=O)C
    O    		 D-ribulose
    39468 RBM 2 C23 H22 Cl N5 O3 S InChI=1S/C23H22ClN5O3S/c1
    -28(10-4-9-25)33(31,32)29
    -14-17-7-8-18(24)11-20(17
    )21(15-29)23(30)27-22-13-
    26-12-16-5-2-3-6-19(16)22
    /h2-3,5-8,11-13,21H,4,10,
    14-15H2,1H3,(H,27,30)/t21
    -/m1/s1;
    JKPQSZQLRZDMOG-OAQYLSRUSA-N    		 CN(CCC#N)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc
    3ccccc23)c4cc(Cl)ccc4C1; CN(CCC#N)S(=O)(
    =O)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3
    cccc4)Cl; CN(CCC#N)[S](=O)(=O)N1C[C@@H](
    C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CN(
    CCC#N)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3
    cncc4c3cccc4)Cl; N#CCCN(C)S(=O)(=O)N1Cc2
    ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21    		 (4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39469 RBN 2 C6 H6 Cl2 Ru InChI=1S/C6H6.2ClH.Ru/c1-
    2-4-6-5-3-1;;;/h1-6H;2*1H
    ;/q;;;+2/p-2;
    NDWWOISDNSYBCH-UHFFFAOYSA-L    		 Cl[Ru]65432(Cl)C=1C6=C5C4=C3C=12; [CH]12
    =[CH]3[Ru]1456([CH]2=[CH]4[CH]5=[CH]63)(
    Cl)Cl; Cl[Ru]|1|2|3|4|5(Cl)|C6=C|1C|2=C|
    3C|4=C|56    		 Benzeneruthenium(II) chloride
    39470 RBO 1 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c21-1
    3(22)7-10-8-20(5-6-23-10)
    16-14-11-3-1-2-4-12(11)19
    -15(14)17-9-18-16/h1-4,9-
    10H,5-8H2,(H,21,22)(H,17,
    18,19)/t10-/m1/s1;
    XWEGCZDYAZUMMD-SNVBAGLBSA-N    		 OC(=O)C[CH]1CN(CCO1)c2ncnc3[nH]c4ccccc4c
    23; OC(=O)C[C@@H]1CN(CCO1)c2ncnc3[nH]c4c
    cccc4c23; O=C(O)CC1CN(CCO1)c1ncnc2[NH]c3
    ccccc3c12; c1ccc2c(c1)c3c([nH]2)ncnc3N4C
    COC(C4)CC(=O)O; c1ccc2c(c1)c3c([nH]2)ncn
    c3N4CCO[C@@H](C4)CC(=O)O    		 [(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    39471 RBP
    CHEMBL1235625
    ZINC000058638557    		 0 C22 H22 Br N O InChI=1S/C22H22BrNO/c23-2
    0-9-7-18(8-10-20)21-11-12
    -24-14-22(21)25-15-16-5-6
    -17-3-1-2-4-19(17)13-16/h
    1-10,13,21-22,24H,11-12,1
    4-15H2/t21-,22+/m1/s1;
    UHWXWBPDHHMNSG-YADHBBJMSA-N    		 Brc1ccc(cc1)[CH]2CCNC[CH]2OCc3ccc4ccccc4
    c3; Brc1ccc(cc1)C4CCNCC4OCc3cc2ccccc2cc3
    ; Brc1ccc(cc1)[C@H]2CCNC[C@@H]2OCc3ccc4c
    cccc4c3; c1ccc2cc(ccc2c1)COC3CNCCC3c4ccc
    (cc4)Br; c1ccc2cc(ccc2c1)CO[C@H]3CNCC[C@
    @H]3c4ccc(cc4)Br    		 (3R,4R)-4-(4-BROMOPHENYL)-3-(2-NAPHTHYLMETHOXY)PIPERIDINE;
    TRANS-(3R,4R)-2-NAPHTYL-METHOXY-4-(4-BROMOPHENYL)-PIPERIDINE
    39472 RBQ
    CHEMBL4470174
    ZINC000200661443    		 2 C17 H25 F3 N4 O3 InChI=1S/C17H25F3N4O3/c1-
    12(2)27-10-7-23-13(17(18,
    19)20)3-4-24-15(25)11-14(
    21-16(23)24)22-5-8-26-9-6
    -22/h11-13H,3-10H2,1-2H3/
    t13-/m0/s1;
    MYULDSNSZNSXKG-ZDUSSCGKSA-N    		 CC(C)OCCN1[C@@H](CCN2C(=O)C=C(N=C12)N3CC
    OCC3)C(F)(F)F; FC(F)(F)C3N(C2=NC(N1CCOCC
    1)=CC(=O)N2CC3)CCOC(C)C; CC(C)OCCN1C(CCN
    2C1=NC(=CC2=O)N3CCOCC3)C(F)(F)F; CC(C)OC
    CN1[CH](CCN2C(=O)C=C(N=C12)N3CCOCC3)C(F)
    (F)F; CC(C)OCCN1[C@@H](CCN2C1=NC(=CC2=O)
    N3CCOCC3)C(F)(F)F    		 (8S)-2-(morpholin-4-yl)-9-[2-(propan-2-yloxy)ethyl]-8-(trifluoromethyl)-6,7,8,9-tetrahydro-4H-pyrimido[1,2-a]pyrimidin-4-one
    39473 RBR
    CHEMBL1201244
    DB00728
    ZINC000053229445    		 23 C32 H53 N2 O4 InChI=1S/C32H53N2O4/c1-5-
    14-34(15-6-7-16-34)28-20-
    26-24-9-8-23-19-29(36)27(
    33-12-17-37-18-13-33)21-3
    2(23,4)25(24)10-11-31(26,
    3)30(28)38-22(2)35/h5,23-
    30,36H,1,6-21H2,2-4H3/q+1
    /t23-,24+,25-,26-,27-,28-
    ,29-,30-,31-,32-/m0/s1;
    YXRDKMPIGHSVRX-OOJCLDBCSA-N    		 C=CC[N+]1(CCCC1)C1CC2C3CCC4CC(O)C(CC4(C)
    C3CCC2(C)C1OC(C)=O)N1CCOCC1; CC(=O)O[C@H
    ]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](O)[
    C@H](C[C@]4(C)[C@H]3CC[C@]12C)N5CCOCC5)[
    N+]6(CCCC6)CC=C; CC(=O)O[CH]1[CH](C[CH]2
    [CH]3CC[CH]4C[CH](O)[CH](C[C]4(C)[CH]3CC
    [C]12C)N5CCOCC5)[N+]6(CCCC6)CC=C; CC(=O)
    OC1C(CC2C1(CCC3C2CCC4C3(CC(C(C4)O)N5CCOC
    C5)C)C)[N+]6(CCCC6)CC=C; CC(=O)O[C@H]1[C
    @H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H
    ]4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C
    )[N+]6(CCCC6)CC=C    		 rocuronium
    39474 RBS
    CHEMBL1221699
    DB08462
    ZINC000038521711    		 2 C17 H14 N4 O InChI=1S/C17H14N4O/c1-2-1
    6(22)20-13-8-9-15-14(10-1
    3)17(19-11-18-15)21-12-6-
    4-3-5-7-12/h2-11H,1H2,(H,
    20,22)(H,18,19,21);
    JGWHILNNHLDARR-UHFFFAOYSA-N    		 O=C(/C=C)Nc3cc1c(ncnc1Nc2ccccc2)cc3; C=C
    C(=O)Nc1ccc2ncnc(Nc3ccccc3)c2c1; C=CC(=O
    )Nc1ccc2c(c1)c(ncn2)Nc3ccccc3    		 N-(4-PHENYLAMINO-QUINAZOLIN-6-YL)-ACRYLAMIDE
    39475 RBT
    CHEMBL444633
    DB00615
    ZINC000169621215    		 10 C46 H62 N4 O11 InChI=1S/C46H62N4O11/c1-2
    2(2)21-50-18-16-46(17-19-
    50)48-34-31-32-39(54)28(8
    )42-33(31)43(56)45(10,61-
    42)59-20-15-30(58-11)25(5
    )41(60-29(9)51)27(7)38(53
    )26(6)37(52)23(3)13-12-14
    -24(4)44(57)47-36(40(32)5
    5)35(34)49-46/h12-15,20,2
    2-23,25-27,30,37-38,41,49
    ,52-54H,16-19,21H2,1-11H3
    ,(H,47,57)/b13-12+,20-15+
    ,24-14-/t23-,25+,26+,27+,
    30-,37-,38+,41+,45-/m0/s1;
    ATEBXHFBFRCZMA-VXTBVIBXSA-N    		 CO[CH]1C=CO[C]2(C)Oc3c(C)c(O)c4C(=O)C(=C
    5NC6(CCN(CC6)CC(C)C)N=C5c4c3C2=O)NC(=O)C
    (=CC=C[CH](C)[CH](O)[CH](C)[CH](O)[CH](C
    )[CH](OC(C)=O)[CH]1C)C; CO[C@H]1\C=C\O[C
    @@]2(C)Oc3c(C)c(O)c4C(=O)C(=C5NC6(CCN(CC
    6)CC(C)C)N=C5c4c3C2=O)NC(=O)\C(=C/C=C/[C
    @H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C
    )[C@H](OC(C)=O)[C@@H]1C)C; O=C4c5c2C1=NC
    6(NC1=C3C(=O)c2c(O)c(c5OC4(OC=CC(OC)C(C(
    OC(=O)C)C(C)C(O)C(C)C(O)C(C=CC=C(C(=O)N3
    )C)C)C)C)C)CCN(CC(C)C)CC6; Cc1c(c2c3c4c1
    O[C@@](C4=O)(O\C=C\[C@@H]([C@H]([C@H]([C
    @@H]([C@@H]([C@@H]([C@H]([C@H](\C=C\C=C(
    /C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2=
    O)\C)C)O)C)O)C)OC(=O)C)C)OC)C)O; Cc1c(c2
    c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=
    C(C(=O)NC(=C5C3=NC6(N5)CCN(CC6)CC(C)C)C2
    =O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O    		 RIFABUTIN;
    (9S,12E,14S,15R,16S,17R,18R,19R,20S,21S,22E,24Z)-6-16,18,20- TETRAHYDROXY-1'-ISOBUTYL-14-METHOXY-7,9,15,17,19,21,25- HEPTAMETHYLSPIRO(9,4-(EPOXYPENTADECA(1,11,13)TRIENIMINO)-2H- FURO(2',3':7,8)NAPHTH(1,2-D)IMIDAZOLE-2,4'-PIPERIDINE)- 5,10,26(3H,9H)-TRIONE,16-ACETATE;
    ANSAMYCIN
    39476 RBU 3 C23 H20 N6 Ru InChI=1S/2C10H8N2.C3H4N2.
    Ru/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H,(H,4,5);;
    LVAGRRXZENULKW-UHFFFAOYSA-N    		 [Ru].[nH]1ccnc1.c2ccc(nc2)c3ccccn3.c4ccc
    (nc4)c5ccccn5; c1ccnc(c1)C2=[N](C=CC=C2)
    [Ru]([N]3=CNC=C3)[N]4=C(C=CC=C4)c5ccccn5    		 RUTHEMIUM BIS(2,2'-BIPYRIDINE)-2-IMIDAZOLE
    39477 RBV
    CHEMBL1643
    DB00811
    ZINC000001035331    		 10 C8 H12 N4 O5 InChI=1S/C8H12N4O5/c9-6(1
    6)7-10-2-12(11-7)8-5(15)4
    (14)3(1-13)17-8/h2-5,8,13
    -15H,1H2,(H2,9,16)/t3-,4-
    ,5-,8-/m1/s1;
    IWUCXVSUMQZMFG-AFCXAGJDSA-N    		 NC(=O)c1ncn(n1)[CH]2O[CH](CO)[CH](O)[CH]
    2O; O=C(c1ncn(n1)C2OC(C(O)C2O)CO)N; c1nc
    (nn1[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)
    C(=O)N; c1nc(nn1C2C(C(C(O2)CO)O)O)C(=O)N
    ; NC(=O)c1ncn(n1)[C@@H]2O[C@H](CO)[C@@H]
    (O)[C@H]2O    		 1-(beta-D-ribofuranosyl)-1H-1,2,4-triazole-3-carboxamide;
    Ribavirin
    39478 RBW 2 C20 H20 Cl N O4 S InChI=1S/C20H20ClNO4S/c1-
    11(2)14-5-4-6-15-17(19(20
    (23)24)22-18(14)15)12-7-8
    -13(16(21)9-12)10-27(3,25
    )26/h4-9,11,22H,10H2,1-3H
    3,(H,23,24);
    GFIQTTYHVBGLFD-UHFFFAOYSA-N    		 CC(C)c1cccc2c1[nH]c(c2c3ccc(c(c3)Cl)CS(=
    O)(=O)C)C(=O)O; CC(C)c1cccc2c1[nH]c(C(O)
    =O)c2c3ccc(C[S](C)(=O)=O)c(Cl)c3    		 3-[3-chloranyl-4-(methylsulfonylmethyl)phenyl]-7-propan-2-yl-1~{H}-indole-2-carboxylic acid
    39479 RBX 2 C22 H23 Cl N4 O3 S InChI=1S/C22H23ClN4O3S/c1
    -3-26(2)31(29,30)27-13-16
    -8-9-17(23)10-19(16)20(14
    -27)22(28)25-21-12-24-11-
    15-6-4-5-7-18(15)21/h4-12
    ,20H,3,13-14H2,1-2H3,(H,2
    5,28)/t20-/m1/s1;
    PKNUWHGBAIVWIT-HXUWFJFHSA-N    		 CCN(C)S(=O)(=O)N1Cc2ccc(Cl)cc2C(C1)C(=O)
    Nc1cncc2ccccc21; CCN(C)[S](=O)(=O)N1C[CH
    ](C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; C
    CN(C)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)Nc3c
    ncc4c3cccc4)Cl; CCN(C)S(=O)(=O)N1Cc2ccc(
    cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl; CC
    N(C)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cncc3cc
    ccc23)c4cc(Cl)ccc4C1    		 (4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39480 RBY
    ZINC000058661315    		 1 C16 H25 N5 O13 P2 InChI=1S/C16H25N5O13P2/c1
    7-13-8-14(19-3-18-13)21(4
    -20-8)15-11(24)9(22)6(33-
    15)1-31-35(27,28)5-36(29,
    30)32-2-7-10(23)12(25)16(
    26)34-7/h3-4,6-7,9-12,15-
    16,22-26H,1-2,5H2,(H,27,2
    8)(H,29,30)(H2,17,18,19)/
    t6-,7-,9-,10+,11-,12-,15-
    ,16-/m1/s1;
    ZPZRETFSCSWNDT-CAUCCWOKSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)C
    [P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[
    CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3C(C(C(
    O3)COP(=O)(CP(=O)(O)OCC4C(C(C(O4)O)O)O)O
    )O)O)N; c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([
    C@@H]([C@H](O3)CO[P@@](=O)(C[P@](=O)(O)O
    CC4C([C@H]([C@@H](O4)O)O)O)O)O)O)N; O=P(
    O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)CP(=O
    )(O)OCC4OC(O)C(O)C4O; Nc1ncnc2n(cnc12)[C
    @@H]3O[C@H](CO[P@@](O)(=O)C[P@@](O)(=O)O
    C[C@H]4O[C@@H](O)[C@H](O)[C@H]4O)[C@@H](
    O)[C@H]3O    		 METHYLENE ADP-BETA-XYLOSE
    39481 RBZ
    DB02030
    ZINC000005930819    		 4 C14 H19 N2 O7 P InChI=1S/C14H19N2O7P/c1-7
    -3-9-10(4-8(7)2)16(6-15-9
    )14-13(18)12(17)11(23-14)
    5-22-24(19,20)21/h3-4,6,1
    1-14,17-18H,5H2,1-2H3,(H2
    ,19,20,21)/t11-,12-,13-,1
    4+/m1/s1;
    ZMRGXEJKZPRBPJ-SYQHCUMBSA-N    		 Cc1cc2c(cc1C)n(cn2)[C@@H]3[C@@H]([C@@H](
    [C@H](O3)COP(=O)(O)O)O)O; O=P(O)(O)OCC3O
    C(n2cnc1cc(c(cc12)C)C)C(O)C3O; Cc1cc2c(c
    c1C)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O; Cc
    1cc2ncn([CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O)c2cc1C; Cc1cc2ncn([C@H]3O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]3O)c2cc1C    		 ALPHA-RIBAZOLE-5'-PHOSPHATE
    39482 RC0
    CHEMBL4751268    		 4 C15 H13 Cl2 N5 InChI=1S/C15H13Cl2N5/c1-9
    -7-10(2)22(21-9)15-18-8-1
    3(17)14(20-15)19-12-5-3-1
    1(16)4-6-12/h3-8H,1-2H3,(
    H,18,19,20);
    ASQXYGAONBBSHT-UHFFFAOYSA-N    		 Cc1cc(n(n1)c2ncc(c(n2)Nc3ccc(cc3)Cl)Cl)C
    ; Cc1cc(C)n(n1)c2ncc(Cl)c(Nc3ccc(Cl)cc3)
    n2    		 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine
    39483 RC1
    ZINC000033821497    		 2 C10 H16 O13 P2 InChI=1S/C10H16O13P2/c1-1
    0(9(14)15,24(16,17)18)22-
    5-2-4(8(12)13)3-6(7(5)11)
    23-25(19,20)21/h3,5-7,11H
    ,2H2,1H3,(H,12,13)(H,14,1
    5)(H2,16,17,18)(H2,19,20,
    21)/t5-,6-,7+,10-/m1/s1;
    HUOJJMMXOWLGJU-QGOVLLJGSA-N    		 C[C@](O[C@@H]1CC(=C[C@@H](O[P](O)(O)=O)[
    C@H]1O)C(O)=O)(C(O)=O)[P](O)(O)=O; CC(C(
    =O)O)(OC1CC(=CC(C1O)OP(=O)(O)O)C(=O)O)P(
    =O)(O)O; C[C@@](C(=O)O)(O[C@@H]1CC(=C[C@
    H]([C@H]1O)OP(=O)(O)O)C(=O)O)P(=O)(O)O;
    C[C](O[CH]1CC(=C[CH](O[P](O)(O)=O)[CH]1O
    )C(O)=O)(C(O)=O)[P](O)(O)=O; O=C(O)C(OC1
    CC(=CC(OP(=O)(O)O)C1O)C(=O)O)(P(=O)(O)O)
    C    		 [3R-[3A,4A,5B(R*)]]-5-(1-CARBOXY-1-PHOSPHONOETHOXY)-4-HYDROXY-3-(PHOSPHONOOXY)-1-CYCLOHEXENE-1-CARBOXYLIC ACID
    39484 RC2
    CHEMBL1472460
    ZINC000036381000    		 4 C17 H19 N7 O2 S InChI=1S/C17H19N7O2S/c18-
    10-14(25)20-12-3-1-2-11(8
    -12)16-22-24-15(26)9-13(2
    1-17(24)27-16)23-6-4-19-5
    -7-23/h1-3,8-9,19H,4-7,10
    ,18H2,(H,20,25);
    ITNCYPYTFKVCFI-UHFFFAOYSA-N    		 NCC(=O)Nc1cccc(c1)C2=NN3C(=O)C=C(N=C3S2)
    N4CCNCC4; O=C(Nc4cccc(C1=NN2C(=O)C=C(N=C
    2S1)N3CCNCC3)c4)CN; c1cc(cc(c1)NC(=O)CN)
    C2=NN3C(=O)C=C(N=C3S2)N4CCNCC4    		 N-{3-[5-oxo-7-(piperazin-1-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl]phenyl}glycinamide
    39485 RC3 1 C16 H16 N4 O3 InChI=1S/C16H16N4O3/c21-1
    3(22)7-10-8-20(5-6-23-10)
    16-14-11-3-1-2-4-12(11)19
    -15(14)17-9-18-16/h1-4,9-
    10H,5-8H2,(H,21,22)(H,17,
    18,19)/t10-/m0/s1;
    XWEGCZDYAZUMMD-JTQLQIEISA-N    		 c1ccc2c(c1)c3c([nH]2)ncnc3N4CCO[C@H](C4)
    CC(=O)O; OC(=O)C[C@H]1CN(CCO1)c2ncnc3[nH
    ]c4ccccc4c23; OC(=O)C[CH]1CN(CCO1)c2ncnc
    3[nH]c4ccccc4c23; O=C(O)CC1CN(CCO1)c1ncn
    c2[NH]c3ccccc3c12; c1ccc2c(c1)c3c([nH]2)
    ncnc3N4CCOC(C4)CC(=O)O    		 [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid
    39486 RC4
    ZINC000584905649    		 1 C16 H18 B N2 O5 InChI=1S/C16H18BN2O5/c1-1
    0-3-6-15(23-2)14(7-10)19-
    16(20)18-12-5-4-11-9-24-1
    7(21,22)13(11)8-12/h3-8,2
    1-22H,9H2,1-2H3,(H2,18,19
    ,20)/q-1;
    DMOTUOXBEBOMAL-UHFFFAOYSA-N    		 COc1ccc(C)cc1NC(=O)Nc2ccc3CO[B-](O)(O)c3
    c2; [B-]1(c2cc(ccc2CO1)NC(=O)Nc3cc(ccc3O
    C)C)(O)O    		 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1,3,5-trien-4-yl]-3-(2-methoxy-5-methyl-phenyl)urea
    39487 RC5
    ZINC000230570823    		 2 C14 H22 N O5 P InChI=1S/C14H22NO5P/c1-15
    (17)14(16)10-13(11-21(18,
    19)20)9-5-8-12-6-3-2-4-7-
    12/h2-4,6-7,13,17H,5,8-11
    H2,1H3,(H2,18,19,20)/t13-
    /m1/s1;
    YKRNADVNYIPUET-CYBMUJFWSA-N    		 CN(O)C(=O)C[C@@H](CCCc1ccccc1)C[P](O)(O)
    =O; CN(O)C(=O)C[CH](CCCc1ccccc1)C[P](O)(
    O)=O; O=P(O)(O)CC(CCCc1ccccc1)CC(=O)N(O)
    C; CN(C(=O)C[C@@H](CCCc1ccccc1)CP(=O)(O)
    O)O; CN(C(=O)CC(CCCc1ccccc1)CP(=O)(O)O)O    		 [(2R)-2-{2-[hydroxy(methyl)amino]-2-oxoethyl}-5-phenylpentyl]phosphonic acid
    39488 RC6
    CHEMBL5397202
    ZINC000165458219    		 1 C10 H10 Cl N O InChI=1S/C10H10ClNO/c1-7(
    13)12-6-5-8-9(11)3-2-4-10
    (8)12/h2-4H,5-6H2,1H3;
    PRQBPDDBVHPKIP-UHFFFAOYSA-N    		 CC(=O)N1CCc2c(Cl)cccc12; CC(=O)N1CCc2c1c
    ccc2Cl    		 1-(4-chloranyl-2,3-dihydroindol-1-yl)ethanone
    39489 RC7 0 C17 H14 N4 O4 InChI=1S/C17H14N4O4/c22-1
    3-4-1-11(2-5-13)7-14-17(2
    5)21(9-16(23)24)15(20-14)
    6-3-12-8-18-10-19-12/h1-8
    ,10,22H,9H2,(H,18,19)(H,2
    3,24)/b6-3+,14-7-;
    STRYMBWJHWRMBE-PJTBNZIESA-N    		 c1cc(ccc1C=C2C(=O)N(C(=N2)C=Cc3c[nH]cn3)
    CC(=O)O)O; c1cc(ccc1/C=C\2/C(=O)N(C(=N2)
    /C=C/c3c[nH]cn3)CC(=O)O)O; OC(=O)CN1C(=O
    )C(=Cc2ccc(O)cc2)N=C1C=Cc3c[nH]cn3; OC(=
    O)CN1C(=O)C(=C/c2ccc(O)cc2)/N=C1/C=C/c3c
    [nH]cn3    		 2-[(4Z)-4-[(4-hydroxyphenyl)methylidene]-2-[(E)-2-(1H-imidazol-4-yl)ethenyl]-5-oxidanylidene-imidazol-1-yl]ethanoic acid;
    RED CHROMOPHORE (HIS-TYR-GLY);
    {(2R)-4-(4-hydroxybenzyl)-2-[2-(1H-imidazol-4-yl)ethyl]-5-oxo-2,5-dihydro-1H-imidazol-1-yl}acetic acid
    39490 RC8
    CHEMBL518800
    DB08463
    ZINC000016052807    		 8 C24 H29 N7 O InChI=1S/C24H29N7O/c1-4-1
    9(14-32)28-24-29-22(21-23
    (30-24)31(15-27-21)16(2)3
    )26-13-17-8-10-18(11-9-17
    )20-7-5-6-12-25-20/h5-12,
    15-16,19,32H,4,13-14H2,1-
    3H3,(H2,26,28,29,30)/t19-
    /m1/s1;
    HOCBJBNQIQQQGT-LJQANCHMSA-N    		 n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc4ccc(c3
    ncccc3)cc4; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(
    C)C)NCc3ccc(cc3)c4ccccn4; CC[C@H](CO)Nc1
    nc(c2c(n1)n(cn2)C(C)C)NCc3ccc(cc3)c4cccc
    n4; CC[CH](CO)Nc1nc(NCc2ccc(cc2)c3ccccn3
    )c4ncn(C(C)C)c4n1; CC[C@H](CO)Nc1nc(NCc2
    ccc(cc2)c3ccccn3)c4ncn(C(C)C)c4n1    		 (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
    39491 RC9 2 C25 H23 Cl N4 O3 S InChI=1S/C25H23ClN4O3S/c2
    6-19-7-6-18-13-30(34(32,3
    3)16-25(15-27)8-3-9-25)14
    -22(21(18)10-19)24(31)29-
    23-12-28-11-17-4-1-2-5-20
    (17)23/h1-2,4-7,10-12,22H
    ,3,8-9,13-14,16H2,(H,29,3
    1)/t22-/m1/s1;
    GJPHCXZDDOVJHH-JOCHJYFZSA-N    		 Clc1ccc2CN(C[C@@H](C(=O)Nc3cncc4ccccc34)
    c2c1)[S](=O)(=O)CC5(CCC5)C#N; c1ccc2c(c1
    )cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O
    )CC5(CCC5)C#N; N#CC1(CCC1)CS(=O)(=O)N1Cc
    2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21; c1
    ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc
    4)Cl)S(=O)(=O)CC5(CCC5)C#N; Clc1ccc2CN(C
    [CH](C(=O)Nc3cncc4ccccc34)c2c1)[S](=O)(=
    O)CC5(CCC5)C#N    		 (4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39492 RCA
    ZINC000003834172    		 2 C12 H16 N4 O5 InChI=1S/C12H16N4O5/c1-5-
    6(13-10(20)15-8(5)18)3-12
    (2)7(4-17)14-11(21)16-9(1
    2)19/h7,17H,3-4H2,1-2H3,(
    H2,13,15,18,20)(H2,14,16,
    19,21)/t7-,12+/m0/s1;
    KBBKHMIEEMSXSM-JVXZTZIISA-N    		 CC1=C(C[C@]2(C)[C@H](CO)NC(=O)NC2=O)NC(=
    O)NC1=O; O=C1NC(CO)C(C(=O)N1)(C)CC2=C(C(
    =O)NC(=O)N2)C; CC1=C(NC(=O)NC1=O)C[C@@]2
    ([C@@H](NC(=O)NC2=O)CO)C; CC1=C(NC(=O)NC
    1=O)CC2(C(NC(=O)NC2=O)CO)C; CC1=C(C[C]2(
    C)[CH](CO)NC(=O)NC2=O)NC(=O)NC1=O    		 6-{[4-(HYDROXYMETHYL)-5-METHYL-2,6-DIOXOHEXAHYDROPYRIMIDIN-5-YL]METHYL}-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE;
    HYDROXYMETHYL-HYDROTHYMYL-THYMINE;
    5-[THYMIN-6-YL]METHYL-6-HYDRO-6-HYDROXYMETHYL-THYMINE
    39493 RCB
    ZINC000077311806    		 3 C24 H35 N O18 InChI=1S/C24H35NO18/c26-5
    -10-13(29)14(30)17(33)23(
    39-10)42-21-12(7-28)41-24
    (19(35)16(21)32)43-20-11(
    6-27)40-22(18(34)15(20)31
    )38-9-3-1-8(2-4-9)25(36)3
    7/h1-4,10-24,26-35H,5-7H2
    /t10-,11-,12-,13-,14+,15-
    ,16-,17-,18-,19-,20-,21-,
    22-,23+,24+/m1/s1;
    BETIRLUWOMCBBJ-ZENQEEDISA-N    		 c1cc(ccc1[N+](=O)[O-])O[C@H]2[C@@H]([C@H
    ]([C@@H]([C@H](O2)CO)O[C@H]3[C@@H]([C@H]
    ([C@@H]([C@H](O3)CO)O[C@H]4[C@@H]([C@H](
    [C@@H]([C@H](O4)CO)O)O)O)O)O)O)O; c1cc(c
    cc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)OC3C(C(
    C(C(O3)CO)OC4C(C(C(C(O4)CO)O)O)O)O)O)O)O
    ; OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](
    O)[C@@H](O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H
    ](O)[C@@H](O[C@@H]3CO)Oc4ccc(cc4)[N+]([O
    -])=O)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1
    O[CH](O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)
    O[CH]3[CH](O)[CH](O)[CH](O[CH]3CO)Oc4ccc
    (cc4)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;
    [O-][N+](=O)c4ccc(OC3OC(C(OC2OC(C(OC1OC(
    CO)C(O)C(O)C1O)C(O)C2O)CO)C(O)C3O)CO)cc4    		 4-nitrophenyl beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranosyl-(1->4)-beta-D-glucopyranoside;
    p-nitrophenyl beta-D-cellotrioside
    39494 RCC
    ZINC000100078195    		 3 C35 H38 N4 O7 InChI=1S/C35H38N4O7/c1-8-
    19-15(3)26(14-40)36-25(19
    )13-24-18(6)28-32(38-24)2
    9(30(33(28)43)35(45)46-7)
    31-21(10-11-27(41)42)17(5
    )22(37-31)12-23-16(4)20(9
    -2)34(44)39-23/h9,12,14,1
    7,21,30,36,38H,2,8,10-11,
    13H2,1,3-7H3,(H,39,44)(H,
    41,42)/b23-12-,31-29-/t17
    -,21-,30+/m0/s1;
    ZDEZVOKVUGXDCZ-FATBKOMMSA-N    		 O=C5C(\C=C)=C(\C(=C\C4=N/C(=C2\c1nc(c(c1
    C(=O)C2C(=O)OC)C)Cc3c(c(c(C=O)n3)C)CC)C(
    CCC(=O)O)C4C)N5)C; CCc1c(c([nH]c1Cc2c(c3
    c([nH]2)C(=C4C(C(C(=N4)C=C5C(=C(C(=O)N5)
    C=C)C)C)CCC(=O)O)C(C3=O)C(=O)OC)C)C=O)C;
    CCc1c(C)c([nH]c1Cc2[nH]c3C([CH](C(=O)OC
    )C(=O)c3c2C)=C4N=C(C=C5NC(=O)C(=C5C)C=C)
    [CH](C)[CH]4CCC(O)=O)C=O; CCc1c(c([nH]c1
    Cc2c(c3c([nH]2)/C(=C\4/[C@H]([C@@H](C(=N
    4)/C=C\5/C(=C(C(=O)N5)C=C)C)C)CCC(=O)O)/
    [C@H](C3=O)C(=O)OC)C)C=O)C; CCc1c(C)c([n
    H]c1Cc2[nH]c3\C([C@@H](C(=O)OC)C(=O)c3c2
    C)=C4/N=C(\C=C5/NC(=O)C(=C5C)C=C)[C@@H](
    C)[C@@H]4CCC(O)=O)C=O    		 3-{(2Z,3S,4S)-5-[(Z)-(4-ethenyl-3-methyl-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene)methyl]-2-[(5R)-2-[(3-ethyl-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-5-(methoxycarbonyl)-3-methyl-4-oxo-4,5-dihydrocyclopenta[b]pyrrol-6(1H)-ylidene]-4-methyl-3,4-dihydro-2H-pyrrol-3-yl}propanoic acid;
    Red chlorophyll catabolite
    39495 RCD
    CHEMBL3182126
    DB19173    		 0 C48 H80 O40 InChI=1S/C48H80O40/c49-1-
    9-33-17(57)25(65)41(73-9)
    82-34-10(2-50)75-43(27(67
    )19(34)59)84-36-12(4-52)7
    7-45(29(69)21(36)61)86-38
    -14(6-54)79-47(31(71)23(3
    8)63)88-40-16(8-56)80-48(
    32(72)24(40)64)87-39-15(7
    -55)78-46(30(70)22(39)62)
    85-37-13(5-53)76-44(28(68
    )20(37)60)83-35-11(3-51)7
    4-42(81-33)26(66)18(35)58
    /h9-72H,1-8H2/t9-,10-,11-
    ,12-,13-,14-,15-,16-,17-,
    18-,19-,20-,21-,22-,23-,2
    4-,25-,26-,27-,28-,29-,30
    -,31-,32-,33-,34-,35-,36-
    ,37-,38-,39-,40-,41-,42-,
    43-,44-,45-,46-,47-,48-/m
    1/s1;
    GDSRMADSINPKSL-HSEONFRVSA-N    		 C(C1C2C(C(C(O1)OC3C(OC(C(C3O)O)OC4C(OC(C
    (C4O)O)OC5C(OC(C(C5O)O)OC6C(OC(C(C6O)O)O
    C7C(OC(C(C7O)O)OC8C(OC(C(C8O)O)OC9C(OC(O
    2)C(C9O)O)CO)CO)CO)CO)CO)CO)CO)O)O)O; C(
    [C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@
    @H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@
    H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H
    ]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]
    6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7
    [C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[
    C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C
    @H](O[C@H](O2)[C@@H]([C@H]9O)O)CO)CO)CO)
    CO)CO)CO)CO)O)O)O; OC[CH]1O[CH]2O[CH]3[C
    H](O)[CH](O)[CH](O[CH]3CO)O[CH]4[CH](O)[
    CH](O)[CH](O[CH]4CO)O[CH]5[CH](O)[CH](O)
    [CH](O[CH]5CO)O[CH]6[CH](O)[CH](O)[CH](O
    [CH]6CO)O[CH]7[CH](O)[CH](O)[CH](O[CH]7C
    O)O[CH]8[CH](O)[CH](O)[CH](O[CH]8CO)O[CH
    ]9[CH](O)[CH](O)[CH](O[CH]9CO)O[CH]1[CH]
    (O)[CH]2O; OC[C@H]1O[C@@H]2O[C@H]3[C@H](
    O)[C@@H](O)[C@H](O[C@@H]3CO)O[C@H]4[C@H]
    (O)[C@@H](O)[C@H](O[C@@H]4CO)O[C@H]5[C@H
    ](O)[C@@H](O)[C@H](O[C@@H]5CO)O[C@H]6[C@
    H](O)[C@@H](O)[C@H](O[C@@H]6CO)O[C@H]7[C
    @H](O)[C@@H](O)[C@H](O[C@@H]7CO)O[C@H]8[
    C@H](O)[C@@H](O)[C@H](O[C@@H]8CO)O[C@H]9
    [C@H](O)[C@@H](O)[C@H](O[C@@H]9CO)O[C@H]
    1[C@H](O)[C@H]2O; OC2C(O)C1OC9OC(CO)C(OC
    8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(C(O
    C4OC(CO)C(OC3OC(CO)C(OC2OC1CO)C(O)C3O)C(
    O)C4O)C(O)C5O)CO)C(O)C6O)C(O)C7O)C(O)C8O
    )C(O)C9O    		 gamma-cyclodextrin;
    cyclo-octa-amylose
    39496 RCE
    ZINC000098209357    		 0 C11 H15 N2 O9 P InChI=1S/C11H15N2O9P/c1-5
    -11(4-20-23(17,18)19)8(15
    )7(21-5)9(22-11)13-3-2-6(
    14)12-10(13)16/h2-3,5,7-9
    ,15H,4H2,1H3,(H,12,14,16)
    (H2,17,18,19)/t5-,7-,8+,9
    -,11+/m1/s1;
    YMFXFISZLBZENQ-QPLYKKBVSA-N    		 C[C@H]1O[C@@H]2[C@H](O)[C@@]1(CO[P](O)(O
    )=O)O[C@H]2N3C=CC(=O)NC3=O; O=P(O)(O)OCC
    32OC(N1C(=O)NC(=O)C=C1)C(OC2C)C3O; C[C@@
    H]1[C@]2([C@H]([C@@H](O1)[C@@H](O2)N3C=C
    C(=O)NC3=O)O)COP(=O)(O)O; C[CH]1O[CH]2[C
    H](O)[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC(=O)
    NC3=O; CC1C2(C(C(O1)C(O2)N3C=CC(=O)NC3=O
    )O)COP(=O)(O)O    		 1-{2,5-anhydro-6-deoxy-4-[(phosphonooxy)methyl]-beta-D-gulofuranosyl}pyrimidine-2,4(1H,3H)-dione
    39497 RCF
    ZINC000034473562    		 2 C16 H12 F N O4 InChI=1S/C16H12FNO4/c1-10
    (16(19)20)21-12-3-5-13(6-
    4-12)22-15-7-2-11(9-18)8-
    14(15)17/h2-8,10H,1H3,(H,
    19,20)/t10-/m1/s1;
    ROBSGBGTWRRYSK-SNVBAGLBSA-N    		 C[C@@H](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)=
    O; C[CH](Oc1ccc(Oc2ccc(cc2F)C#N)cc1)C(O)
    =O; C[C@H](C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F
    )C#N; N#Cc1ccc(c(c1)F)Oc2ccc(OC(C)C(O)=O
    )cc2; CC(C(=O)O)Oc1ccc(cc1)Oc2ccc(cc2F)C
    #N    		 (2R)-2-[4-(4-cyano-2-fluorophenoxy)phenoxy]propanoic acid
    39498 RCG
    CHEMBL438139
    DB15495
    ZINC000005664046    		 1 C29 H31 N O7 InChI=1S/C29H31NO7/c1-30(
    2)27(32)23-24(17-9-7-6-8-
    10-17)29(18-11-13-19(34-3
    )14-12-18)28(33,26(23)31)
    25-21(36-5)15-20(35-4)16-
    22(25)37-29/h6-16,23-24,2
    6,31,33H,1-5H3/t23-,24-,2
    6-,28+,29+/m1/s1;
    DAPAQENNNINUPW-IDAMAFBJSA-N    		 CN(C)C(=O)C1C(C2(C(C1O)(c3c(cc(cc3OC)OC)
    O2)O)c4ccc(cc4)OC)c5ccccc5; CN(C)C(=O)[C
    @@H]1[C@H]([C@]2([C@@]([C@@H]1O)(c3c(cc(
    cc3OC)OC)O2)O)c4ccc(cc4)OC)c5ccccc5; COc
    1ccc(cc1)[C]23Oc4cc(OC)cc(OC)c4[C]2(O)[C
    H](O)[CH]([CH]3c5ccccc5)C(=O)N(C)C; COc1
    ccc(cc1)[C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)
    [C@H](O)[C@@H]([C@H]3c5ccccc5)C(=O)N(C)C    		 (1R,2R,3S,3aR,8bS)-6,8-dimethoxy-3a-(4-methoxyphenyl)-N,N-dimethyl-1,8b-bis(oxidanyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxamide;
    Rocaglamide;
    Rocaglamide A
    39499 RCH
    CHEMBL4457566    		 1 C32 H31 N3 O5 S InChI=1S/C32H31N3O5S/c1-1
    8-14-20(30(37)34-31(2,3)4
    )16-21(33-18)10-8-19-9-12
    -24-26(15-19)40-29-27(24)
    28(36)23-13-11-22(35-41(7
    ,38)39)17-25(23)32(29,5)6
    /h9,11-17,35H,1-7H3,(H,34
    ,37);
    DCGOHGQJHJXBGW-UHFFFAOYSA-N    		 Cc1cc(cc(n1)C#Cc2ccc3c(oc4c3C(=O)c5ccc(N
    [S](C)(=O)=O)cc5C4(C)C)c2)C(=O)NC(C)(C)C
    ; Cc1cc(cc(n1)C#Cc2ccc3c(c2)oc4c3C(=O)c5
    ccc(cc5C4(C)C)NS(=O)(=O)C)C(=O)NC(C)(C)C    		 N-tert-butyl-2-[2-[6,6-dimethyl-8-(methylsulfonylamino)-11-oxidanylidene-naphtho[2,3-b][1]benzofuran-3-yl]ethynyl]-6-methyl-pyridine-4-carboxamide
    39500 RCI
    ZINC000001555333    		 4 C3 H5 Cl O2 InChI=1S/C3H5ClO2/c1-2(4)
    3(5)6/h2H,1H3,(H,5,6)/t2-
    /m1/s1;
    GAWAYYRQGQZKCR-UWTATZPHSA-N    		 C[C@@H](Cl)C(O)=O; C[C@H](C(=O)O)Cl; C[C
    H](Cl)C(O)=O; CC(C(=O)O)Cl    		 (R)-2-Chloropropionic acid;
    (R)-2-Chloropropanoic acid
    39501 RCJ
    ZINC000141946561    		 4 C11 H21 N O9 InChI=1S/C11H21NO9/c1-4(1
    4)12-8(5(15)2-6(16)11(20)
    21)10(19)9(18)7(17)3-13/h
    5-10,13,15-19H,2-3H2,1H3,
    (H,12,14)(H,20,21)/t5-,6-
    ,7+,8+,9+,10+/m0/s1;
    REORMAHRVILHOU-HQBQHRAMSA-N    		 CC(=O)NC(C(CC(C(=O)O)O)O)C(C(C(CO)O)O)O;
    CC(=O)N[CH]([CH](O)C[CH](O)C(O)=O)[CH](
    O)[CH](O)[CH](O)CO; CC(=O)N[C@H]([C@@H](
    O)C[C@H](O)C(O)=O)[C@@H](O)[C@H](O)[C@H]
    (O)CO; CC(=O)N[C@H]([C@H](C[C@@H](C(=O)O
    )O)O)[C@H]([C@@H]([C@@H](CO)O)O)O    		 (2~{S},4~{S},5~{R},6~{R},7~{S},8~{R})-5-acetamido-2,4,6,7,8,9-hexakis(oxidanyl)nonanoic acid
    39502 RCK 2 C25 H27 F N6 O S InChI=1S/C25H27FN6OS/c26-
    22-9-5-4-8-20(22)16-27-23
    -21-17-28-32(11-10-19-6-2
    -1-3-7-19)24(21)30-25(29-
    23)34-18-31-12-14-33-15-1
    3-31/h1-9,17H,10-16,18H2,
    (H,27,29,30);
    VXDFUYOZJBQCMJ-UHFFFAOYSA-N    		 Fc1ccccc1CNc2nc(SCN3CCOCC3)nc4n(CCc5cccc
    c5)ncc24; c1ccc(cc1)CCn2c3c(cn2)c(nc(n3)
    SCN4CCOCC4)NCc5ccccc5F    		 ~{N}-[(2-fluorophenyl)methyl]-6-(morpholin-4-ylmethylsulfanyl)-1-(2-phenylethyl)pyrazolo[3,4-d]pyrimidin-4-amine
    39503 RCL
    CHEMBL1235634
    ZINC000003875925    		 3 C18 H34 O3 InChI=1S/C18H34O3/c1-2-3-
    4-11-14-17(19)15-12-9-7-5
    -6-8-10-13-16-18(20)21/h9
    ,12,17,19H,2-8,10-11,13-1
    6H2,1H3,(H,20,21)/b12-9+/
    t17-/m1/s1;
    WBHHMMIMDMUBKC-XLNAKTSKSA-N    		 CCCCCCC(CC=CCCCCCCCC(=O)O)O; O=C(O)CCCCC
    CC/C=C/CC(O)CCCCCC; CCCCCC[C@@H](O)C/C=C
    /CCCCCCCC(O)=O; CCCCCC[CH](O)CC=CCCCCCCC
    C(O)=O; CCCCCC[C@H](C\C=C\CCCCCCCC(=O)O)
    O    		 RICINOLEIC ACID
    39504 RCM
    CHEMBL370438
    ZINC000013983453    		 6 C13 H12 Cl N3 O2 InChI=1S/C13H12ClN3O2/c1-
    17-12(18)10(16-13(17)19)5
    -7-6-15-11-8(7)3-2-4-9(11
    )14/h2-4,6,10,15H,5H2,1H3
    ,(H,16,19)/t10-/m1/s1;
    WIKGAEMMNQTUGL-SNVBAGLBSA-N    		 CN1C(=O)N[CH](Cc2c[nH]c3c(Cl)cccc23)C1=O
    ; CN1C(=O)C(NC1=O)Cc2c[nH]c3c2cccc3Cl; C
    N1C(=O)[C@H](NC1=O)Cc2c[nH]c3c2cccc3Cl;
    CN1C(=O)N[C@H](Cc2c[nH]c3c(Cl)cccc23)C1=
    O; O=C1NC(C(=O)N1C)Cc3c2cccc(Cl)c2nc3    		 (5R)-5-[(7-chloro-1H-indol-3-yl)methyl]-3-methylimidazolidine-2,4-dione
    39505 RCN
    CHEMBL4856775    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-4-11-13-12
    -8/h1-4H,10H2,(H,11,12,13
    );
    LLSXNXRQHHVPLS-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)c2cn[nH]n2)N; Nc1ccc(Cl)cc1
    c2cn[nH]n2    		 4-chloranyl-2-(2~{H}-1,2,3-triazol-4-yl)aniline;
    MMG-0363
    39506 RCO
    CHEMBL24147
    DB11085
    ZINC000000002028    		 23 C6 H6 O2 InChI=1S/C6H6O2/c7-5-2-1-
    3-6(8)4-5/h1-4,7-8H;
    GHMLBKRAJCXXBS-UHFFFAOYSA-N    		 c1cc(cc(c1)O)O; Oc1cccc(O)c1 RESORCINOL;
    1,3-BENZENEDIOL;
    1,3-DIHYDROXYBENZENE
    39507 RCP
    CHEMBL208943
    ZINC000003962830    		 19 C30 H35 N3 O3 InChI=1S/C30H35N3O3/c34-2
    9(32-16-18-36-19-17-32)24
    -8-5-13-33(21-24)25-11-14
    -31(15-12-25)30(35)28-26-
    9-3-1-6-22(26)20-23-7-2-4
    -10-27(23)28/h1-4,6-7,9-1
    0,20,24-25H,5,8,11-19,21H
    2/t24-/m1/s1;
    LDQKDRLEMKIYMC-XMMPIXPASA-N    		 c1ccc2c(c1)cc3ccccc3c2C(=O)N4CCC(CC4)N5C
    CCC(C5)C(=O)N6CCOCC6; O=C([C@@H]1CCCN(C1
    )C2CCN(CC2)C(=O)c3c4ccccc4cc5ccccc35)N6C
    COCC6; O=C(N1CCOCC1)C6CCCN(C5CCN(C(=O)c4
    c2ccccc2cc3ccccc34)CC5)C6; c1ccc2c(c1)cc
    3ccccc3c2C(=O)N4CCC(CC4)[N@]5CCC[C@H](C5
    )C(=O)N6CCOCC6; O=C([CH]1CCCN(C1)C2CCN(C
    C2)C(=O)c3c4ccccc4cc5ccccc35)N6CCOCC6    		 (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE
    39508 RCQ
    CHEMBL4871312    		 4 C8 H7 Cl N4 InChI=1S/C8H7ClN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    YLZNCOGLABONRN-UHFFFAOYSA-N    		 Nc1ccc(Cl)cc1c2[nH]ncn2; c1cc(c(cc1Cl)c2
    [nH]ncn2)N    		 4-chloranyl-2-(1~{H}-1,2,4-triazol-5-yl)aniline;
    MMG-0706
    39509 RCR 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m1/s1;
    RIJVOOFUJLZCSA-GOSISDBHSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4CC5(CCC5)C(C4)(C(=O)O)F; OC(=O)[C@]1(
    F)CN(CC12CCC2)c3ncnc4[nH]c5cc(Br)ccc5c34
    ; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3cc
    (Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn3
    )N4C[C@](C5(C4)CCC5)(C(=O)O)F    		 (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    39510 RCS 2 C16 H13 N2 O6 Re S InChI=1S/C13H13N2O3S.3CO.
    Re/c14-19(17,18)12-7-5-10
    (6-8-12)9-15-13(16)11-3-1
    -2-4-11;3*1-2;/h1-8H,9H2,
    (H,15,16)(H2,14,17,18);;;
    ;;
    RMIPOUPNRFHFRY-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CNC(=O)C23[Re]|4|5|6(|
    [C-]#[O+])(|[C-]#[O+])(|[C-]#[O+])|C(=C2
    |4)C|5=C3|6)cc1; c1cc(ccc1CNC(=O)C23[CH]
    4=[CH]5[Re]426([CH]5=[CH]63)(C#O)(C#O)C#
    O)S(=O)(=O)N    		 triscarbonyl-cyclopentadienyl-carboxy-4-aminomethylbenzene-sulfonamide rhenium(I)
    39511 RCT
    CHEMBL4563970    		 2 C16 H14 Cl N3 InChI=1S/C16H14ClN3/c17-1
    5-8-4-7-14(16-11-18-20-19
    -16)13(15)10-9-12-5-2-1-3
    -6-12/h1-8,11H,9-10H2,(H,
    18,19,20);
    KSCUUNCHIFGAIO-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c(cccc2Cl)c3cnn[nH]3; Clc1
    cccc(c2[nH]nnc2)c1CCc3ccccc3    		 4-(3-chloro-2-phenethylphenyl)-1H-1,2,3-triazole;
    MMG-0472;
    5-[3-chloranyl-2-(2-phenylethyl)phenyl]-1H-1,2,3-triazole
    39512 RCU 1 C15 H15 Cl F3 N O3 InChI=1S/C15H15ClF3NO3/c1
    -2-23-13(22)6-5-12(21)20-
    8-7-9-11(20)4-3-10(16)14(
    9)15(17,18)19/h3-4H,2,5-8
    H2,1H3;
    RYLCYWNNCGQOCH-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1ccc(c2C(F)(F)F)Cl
    ; CCOC(=O)CCC(=O)N1CCc2c1ccc(Cl)c2C(F)(F
    )F    		 ethyl 4-[5-chloranyl-4-(trifluoromethyl)-2,3-dihydroindol-1-yl]-4-oxidanylidene-butanoate
    39513 RCV
    ZINC000019722807    		 5 C10 H13 N O3 InChI=1S/C10H13NO3/c1-13-
    10(12)7-14-9-4-2-3-8(5-9)
    6-11/h2-5H,6-7,11H2,1H3;
    HUXMCFLTUUEWMA-UHFFFAOYSA-N    		 c1ccc(CN)cc1OCC(=O)OC; COC(=O)COc1cccc(C
    N)c1; COC(=O)COc1cccc(c1)CN    		 methyl [3-(aminomethyl)phenoxy]acetate
    39514 RCW
    CHEMBL4847829    		 4 C8 H7 Br N4 InChI=1S/C8H7BrN4/c9-5-1-
    2-7(10)6(3-5)8-11-4-12-13
    -8/h1-4H,10H2,(H,11,12,13
    );
    OCWUWXKYIUUICS-UHFFFAOYSA-N    		 c1cc(c(cc1Br)c2[nH]cnn2)N; Nc1ccc(Br)cc1
    c2[nH]cnn2    		 4-bromanyl-2-(4~{H}-1,2,4-triazol-3-yl)aniline;
    MMG-0752
    39515 RCX
    CHEMBL122
    DB00533
    ZINC000000007455    		 2 C17 H14 O4 S InChI=1S/C17H14O4S/c1-22(
    19,20)14-9-7-12(8-10-14)1
    5-11-21-17(18)16(15)13-5-
    3-2-4-6-13/h2-10H,11H2,1H
    3;
    RZJQGNCSTQAWON-UHFFFAOYSA-N    		 CS(=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)c3cccc
    c3; C[S](=O)(=O)c1ccc(cc1)C2=C(C(=O)OC2)
    c3ccccc3    		 Rofecoxib;
    Vioxx
    39516 RCY 9 C12 H19 N2 O3 InChI=1S/C12H20N2O3/c1-11
    (2)7-8(12(3,4)14(11)17)13
    -9(15)5-6-10(13)16/h8,17H
    ,5-7H2,1-4H3/t8-/m1/s1;
    BGLGHMPQDJUKJG-MRVPVSSYSA-N    		 CC1(CC(C(N1[O])(C)C)N2C(=O)CCC2=O)C; CC1
    (C)C[C@@H](N2C(=O)CCC2=O)C(C)(C)N1[O]; O
    N2C(CC(N1C(=O)CCC1=O)C2(C)C)(C)C; CC1(C)
    C[CH](N2C(=O)CCC2=O)C(C)(C)N1[O]; CC1(C[
    C@H](C(N1[O])(C)C)N2C(=O)CCC2=O)C    		 (3'R)-1'-oxyl-2',2',5',5'-tetramethyl-1,3'-bipyrrolidine-2,5-dione;
    3-Maleimido-PROXYL (bound form)
    39517 RCZ 0 C38 H21 Cl N12 Ru InChI=1S/C18H9ClN4.2C10H6
    N4.Ru/c19-10-5-6-13-14(9-
    10)23-18-12-4-2-8-21-16(1
    2)15-11(17(18)22-13)3-1-7
    -20-15;2*1-2-8-10(14-6-4-
    12-8)9-7(1)11-3-5-13-9;/h
    1-9H;2*1-6H;/q;;;+2;
    CYFOMPOAWAYEMX-UHFFFAOYSA-N    		 [Ru++]|1|2|3(|n4cccc5c4c6n|1cccc6c7nc8cc
    (Cl)ccc8nc57)(|n9ccnc%10ccc%11nccn|2c%11
    c9%10)|n%12ccnc%13ccc%14nccn|3c%14c%12%1
    3; c1cc2c(cc1Cl)nc3c(n2)C4=C5C6=[N](C=CC
    =C36)[Ru+2]78([N]5=CC=C4)([N]9=CC=Nc1c9c
    2c(cc1)N=CC=[N]72)[N]1=CC=Nc2c1c1c(cc2)N
    =CC=[N]81; Clc2ccc1nc3c6c5c4c(c3nc1c2)cc
    cn4[Ru+2]%12%10(n5ccc6)(n7c9c(ncc7)ccc8n
    ccn%10c89)n%13c%14c%11c(nccn%11%12)ccc%1
    4ncc%13    		 Ru(TAP)2(Cl-dppz) complex
    39518 RD0 2 C28 H38 N4 S InChI=1S/C28H38N4S/c1-2-1
    2-28(13-3-1,32-16-4-5-17-
    32)26-21-30-27(33-26)24-6
    -7-25-23(20-24)11-19-31(2
    5)18-10-22-8-14-29-15-9-2
    2/h6-7,11,19-22,29H,1-5,8
    -10,12-18H2;
    KBPMYBYNCAAYSC-UHFFFAOYSA-N    		 C1CCCCC1(c5sc(c2cc3c(cc2)n(cc3)CCC4CCNCC
    4)nc5)N6CCCC6; c1cc2c(ccn2CCC3CCNCC3)cc1
    c4ncc(s4)C5(CCCCC5)N6CCCC6; C1CCC(CC1)(N
    2CCCC2)c3sc(nc3)c4ccc5n(CCC6CCNCC6)ccc5c
    4    		 1-[2-(piperidin-4-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    39519 RD1
    CHEMBL4300344    		 4 C11 H13 O10 P3 InChI=1S/C11H13O10P3/c12-
    22(13,14)11(23(15,16)17)9
    -2-1-8-6-10(21-24(18,19)2
    0)4-3-7(8)5-9/h1-6,11H,(H
    2,12,13,14)(H2,15,16,17)(
    H2,18,19,20);
    FARIWUCMYLLPRF-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)OP(=O)(O)O)C(P(=O)(O)O)
    P(=O)(O)O; c1cc(cc2c1cc(cc2)C(P(O)(=O)O)
    P(O)(=O)O)OP(=O)(O)O; O[P](O)(=O)Oc1ccc2
    cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)=O    		 {[6-(phosphonooxy)naphthalen-2-yl]methylene}bis(phosphonic acid)
    39520 RD2
    CHEMBL4302496    		 4 C11 H12 O7 P2 InChI=1S/C11H12O7P2/c12-1
    0-4-3-7-5-9(2-1-8(7)6-10)
    11(19(13,14)15)20(16,17)1
    8/h1-6,11-12H,(H2,13,14,1
    5)(H2,16,17,18);
    KBQHMDQNDJAVLF-UHFFFAOYSA-N    		 Oc1ccc2cc(ccc2c1)C([P](O)(O)=O)[P](O)(O)
    =O; Oc1ccc2c(c1)ccc(C(P(O)(O)=O)P(O)(=O)
    O)c2; c1cc(cc2c1cc(cc2)O)C(P(=O)(O)O)P(=
    O)(O)O    		 [(6-hydroxynaphthalen-2-yl)methylene]bis(phosphonic acid)
    39521 RD3
    CHEMBL4300669    		 4 C7 H11 O10 P3 InChI=1S/C7H11O10P3/c8-18
    (9,10)7(19(11,12)13)5-1-3
    -6(4-2-5)17-20(14,15)16/h
    1-4,7H,(H2,8,9,10)(H2,11,
    12,13)(H2,14,15,16);
    UEGWOUOGLFXILR-UHFFFAOYSA-N    		 O[P](O)(=O)Oc1ccc(cc1)C([P](O)(O)=O)[P](
    O)(O)=O; C(c1ccc(cc1)OP(=O)(O)O)(P(=O)(O
    )O)P(=O)(O)O; c1cc(ccc1C(P(=O)(O)O)P(=O)
    (O)O)OP(=O)(O)O    		 {[4-(phosphonooxy)phenyl]methylene}bis(phosphonic acid)
    39522 RD4
    ZINC000001444885    		 15 C9 H12 N2 O InChI=1S/C9H12N2O/c1-2-12
    -8-5-3-4-7(6-8)9(10)11/h3
    -6H,2H2,1H3,(H3,10,11);
    OZPMVTBYBADRPR-UHFFFAOYSA-N    		 c1c(cc(C(=N)\N)cc1)OCC; CCOc1cccc(c1)C(N
    )=N; [H]/N=C(\c1cccc(c1)OCC)/N; CCOc1ccc
    c(c1)C(=N)N    		 3-ethoxybenzene-1-carboximidamide
    39523 RD5 2 C19 H18 Cl N3 O3 S InChI=1S/C19H18ClN3O3S/c1
    -27(25,26)22-11-13-6-7-16
    (20)8-15(13)9-19(24)23-18
    -12-21-10-14-4-2-3-5-17(1
    4)18/h2-8,10,12,22H,9,11H
    2,1H3,(H,23,24);
    NPWJYOOGEVTHDL-UHFFFAOYSA-N    		 C[S](=O)(=O)NCc1ccc(Cl)cc1CC(=O)Nc2cncc3
    ccccc23; CS(=O)(=O)NCc1ccc(Cl)cc1CC(=O)N
    c1cncc2ccccc21; CS(=O)(=O)NCc1ccc(cc1CC(
    =O)Nc2cncc3c2cccc3)Cl    		 2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide
    39524 RD6 1 C18 H16 Br F N4 O2 InChI=1S/C18H16BrFN4O2/c1
    9-10-2-3-11-12(6-10)23-14
    -13(11)15(22-9-21-14)24-7
    -17(4-1-5-17)18(20,8-24)1
    6(25)26/h2-3,6,9H,1,4-5,7
    -8H2,(H,25,26)(H,21,22,23
    )/t18-/m0/s1;
    RIJVOOFUJLZCSA-SFHVURJKSA-N    		 OC(=O)[C]1(F)CN(CC12CCC2)c3ncnc4[nH]c5cc
    (Br)ccc5c34; OC(=O)[C@@]1(F)CN(CC12CCC2)
    c3ncnc4[nH]c5cc(Br)ccc5c34; c1cc2c(cc1Br
    )[nH]c3c2c(ncn3)N4CC5(CCC5)C(C4)(C(=O)O)
    F; O=C(O)C1(F)CN(CC21CCC2)c1ncnc2[NH]c3c
    c(Br)ccc3c12; c1cc2c(cc1Br)[nH]c3c2c(ncn
    3)N4C[C@@](C5(C4)CCC5)(C(=O)O)F    		 (8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid
    39525 RD7 2 C27 H37 N5 S InChI=1S/C27H37N5S/c1-2-9
    -27(10-3-1,32-13-4-5-14-3
    2)25-21-29-26(33-25)23-6-
    7-24-22(20-23)8-15-31(24)
    19-18-30-16-11-28-12-17-3
    0/h6-8,15,20-21,28H,1-5,9
    -14,16-19H2;
    PWLNVBJHVGPQID-UHFFFAOYSA-N    		 c1cc2c(ccn2CCN3CCNCC3)cc1c4ncc(s4)C5(CCC
    CC5)N6CCCC6; C1CCC(CC1)(N2CCCC2)c3sc(nc3
    )c4ccc5n(CCN6CCNCC6)ccc5c4; C1CCCCC1(c5s
    c(c3cc2ccn(c2cc3)CCN4CCNCC4)nc5)N6CCCC6    		 1-[2-(piperazin-1-yl)ethyl]-5-{5-[1-(pyrrolidin-1-yl)cyclohexyl]-1,3-thiazol-2-yl}-1H-indole
    39526 RD8
    CHEMBL455461
    DB12339
    ZINC000040379938    		 0 C22 H23 F N6 O3 InChI=1S/C22H23FN6O3/c1-1
    4(30)25-12-19-13-29(22(31
    )32-19)18-6-7-20(21(23)8-
    18)16-4-2-15(3-5-16)9-24-
    10-17-11-26-28-27-17/h2-8
    ,11,19,24H,9-10,12-13H2,1
    H3,(H,25,30)(H,26,27,28)/
    t19-/m0/s1;
    BTTNOGHPGJANSW-IBGZPJMESA-N    		 CC(=O)NC[CH]1CN(C(=O)O1)c2ccc(c(F)c2)c3c
    cc(CNCc4c[nH]nn4)cc3; CC(=O)NC[C@H]1CN(C
    (=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[nH]
    nn4; CC(=O)NC[C@H]1CN(C(=O)O1)c2ccc(c(F)
    c2)c3ccc(CNCc4c[nH]nn4)cc3; CC(=O)NCC1CN
    (C(=O)O1)c2ccc(c(c2)F)c3ccc(cc3)CNCc4c[n
    H]nn4; c3(F)c(c1ccc(cc1)CNCc2cnnn2)ccc(c
    3)N4CC(OC4=O)CNC(C)=O    		 Radezolid;
    RX-1741
    39527 RD9 1 C14 H14 F3 N O3 InChI=1S/C14H14F3NO3/c1-2
    1-13(20)6-5-12(19)18-8-7-
    9-10(14(15,16)17)3-2-4-11
    (9)18/h2-4H,5-8H2,1H3;
    ZCVAYWXZXDNCFC-UHFFFAOYSA-N    		 COC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F methyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate
    39528 RDA
    DB08464
    ZINC000024798681    		 3 C18 H18 Cl N O8 InChI=1S/C18H18ClNO8/c1-2
    7-14-7-10(21)9(5-11(14)22
    )20-15(25)4-3-8-16(18(26)
    28-2)12(23)6-13(24)17(8)1
    9/h5-7,21-24H,3-4H2,1-2H3
    ,(H,20,25);
    GUVWEHNRWHNDRF-UHFFFAOYSA-N    		 COC(=O)c1c(O)cc(O)c(Cl)c1CCC(=O)Nc2cc(O)
    c(OC)cc2O; COc1cc(c(cc1O)NC(=O)CCc2c(c(c
    c(c2Cl)O)O)C(=O)OC)O; Clc1c(c(c(O)cc1O)C
    (=O)OC)CCC(=O)Nc2cc(O)c(OC)cc2O    		 METHYL 3-CHLORO-2-{3-[(2,5-DIHYDROXY-4-METHOXYPHENYL)AMINO]-3-OXOPROPYL}-4,6-DIHYDROXYBENZOATE
    39529 RDC
    CHEMBL414883
    DB03758
    ZINC000013521629    		 17 C18 H17 Cl O6 InChI=1S/C18H17ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h2-5,
    8-9,14-15,21-22H,6-7H2,1H
    3/b4-2+,5-3-/t9-,14-,15-/
    m1/s1;
    WYZWZEOGROVVHK-GTMNPGAYSA-N    		 CC1CC2C(O2)C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O
    )C(=O)O1; C[C@@H]1C[C@@H]2[C@H](O2)\C=C/
    C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1; C[C
    @@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(C
    l)c(O)cc(O)c3C(=O)O1; O=C2C=CC=CC3OC3CC(
    OC(=O)c1c(O)cc(O)c(Cl)c1C2)C; C[CH]1C[CH
    ]2O[CH]2C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(
    =O)O1    		 RADICICOL;
    MONORDEN
    39530 RDD 1 C8 H11 N3 O7 InChI=1S/C8H11N3O7/c12-1-
    2-3(13)4(14)5(18-2)11-7(1
    6)9-6(15)10-8(11)17/h2-5,
    12-14H,1H2,(H2,9,10,15,16
    ,17)/t2-,3-,4-,5-/m1/s1;
    DKOBRNXETUUICC-TXICZTDVSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)N2C(=O)NC(=O)
    NC2=O; C(C1C(C(C(O1)N2C(=O)NC(=O)NC2=O)O
    )O)O; C([C@@H]1[C@H]([C@H]([C@@H](O1)N2C
    (=O)NC(=O)NC2=O)O)O)O; O=C1N(C(=O)NC(=O)
    N1)C2OC(C(O)C2O)CO; OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)N2C(=O)NC(=O)NC2=O    		 1-beta-D-ribofuranosyl-1,3,5-triazinane-2,4,6-trione
    39531 RDE
    DB08465
    ZINC000036470929    		 3 C18 H20 Cl N O7 InChI=1S/C18H20ClNO7/c1-2
    4-15-7-12(20)16(25-2)9(17
    (15)26-3)4-5-27-18(23)10-
    6-11(19)14(22)8-13(10)21/
    h6-8,21-22H,4-5,20H2,1-3H
    3;
    DFYGLJKFZQGYPA-UHFFFAOYSA-N    		 COc1cc(N)c(OC)c(CCOC(=O)c2cc(Cl)c(O)cc2O
    )c1OC; Clc1cc(c(O)cc1O)C(=O)OCCc2c(OC)c(
    N)cc(OC)c2OC; COc1cc(c(c(c1OC)CCOC(=O)c2
    cc(c(cc2O)O)Cl)OC)N    		 2-(3-AMINO-2,5,6-TRIMETHOXYPHENYL)ETHYL 5-CHLORO-2,4-DIHYDROXYBENZOATE
    39532 RDF
    CHEMBL479579
    DB02557
    ZINC000004475339    		 15 C23 H34 N3 O10 P InChI=1S/C23H34N3O10P/c1-
    11(2)8-16(26-37(33,34)36-
    23-20(29)19(28)18(27)12(3
    )35-23)21(30)25-17(22(31)
    32)9-13-10-24-15-7-5-4-6-
    14(13)15/h4-7,10-12,16-20
    ,23-24,27-29H,8-9H2,1-3H3
    ,(H,25,30)(H,31,32)(H2,26
    ,33,34)/t12-,16-,17-,18-,
    19+,20+,23-/m0/s1;
    ZPHBZEQOLSRPAK-XLCYBJAPSA-N    		 CC1C(C(C(C(O1)OP(=O)(NC(CC(C)C)C(=O)NC(C
    c2c[nH]c3c2cccc3)C(=O)O)O)O)O)O; O=P(OC1
    OC(C(O)C(O)C1O)C)(O)NC(C(=O)NC(C(=O)O)Cc
    3c2ccccc2nc3)CC(C)C; C[C@H]1[C@@H]([C@H]
    ([C@H]([C@@H](O1)O[P@](=O)(N[C@@H](CC(C)
    C)C(=O)N[C@@H](Cc2c[nH]c3c2cccc3)C(=O)O)
    O)O)O)O; CC(C)C[C@H](N[P@@](O)(=O)O[C@@H
    ]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)C(=
    O)N[C@@H](Cc2c[nH]c3ccccc23)C(O)=O; CC(C
    )C[CH](N[P](O)(=O)O[CH]1O[CH](C)[CH](O)[
    CH](O)[CH]1O)C(=O)N[CH](Cc2c[nH]c3ccccc2
    3)C(O)=O    		 N-ALPHA-L-RHAMNOPYRANOSYLOXY(HYDROXYPHOSPHINYL)-L-LEUCYL-L-TRYPTOPHAN;
    PHOSPHORAMIDON
    39533 RDG
    ZINC000263620347    		 0 C15 H18 N5 O8 P InChI=1S/C15H18N5O8P/c21-
    9-4-11(28-10(9)6-27-29(23
    ,24)25)20-7-17-12-13(20)1
    8-15(19-14(12)22)16-5-8-2
    -1-3-26-8/h1-3,7,9-11,21H
    ,4-6H2,(H2,23,24,25)(H2,1
    6,18,19,22)/t9-,10+,11+/m
    0/s1;
    DBFJIGOYTNZKTK-HBNTYKKESA-N    		 O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)n2c
    nc3C(=O)NC(=Nc23)NCc4occc4; c1cc(oc1)CNC
    2=Nc3c(ncn3[C@H]4C[C@@H]([C@H](O4)COP(=O
    )(O)O)O)C(=O)N2; O[CH]1C[CH](O[CH]1CO[P]
    (O)(O)=O)n2cnc3C(=O)NC(=Nc23)NCc4occc4;
    c1cc(oc1)CNC2=Nc3c(ncn3C4CC(C(O4)COP(=O)
    (O)O)O)C(=O)N2; O=P(O)(O)OCC4OC(n3cnc2c3
    N=C(NCc1occc1)NC2=O)CC4O    		 2'-deoxy-N-(furan-2-ylmethyl)guanosine 5'-(dihydrogen phosphate);
    N2-furfuryl-deoxyguanosine-5'-monophosphate
    39534 RDH
    ZINC000013435098    		 10 C10 H8 O5 InChI=1S/C10H8O5/c1-6(9(1
    1)12)15-8-4-2-3-7(5-8)10(
    13)14/h2-5H,1H2,(H,11,12)
    (H,13,14);
    HGVAHYJMDVROLE-UHFFFAOYSA-N    		 C=C(C(=O)O)Oc1cccc(c1)C(=O)O; OC(=O)C(=C
    )Oc1cccc(c1)C(O)=O    		 3-[(1-Carboxyvinyl)oxy]benzoic acid;
    3-(3-oxidanyl-3-oxidanylidene-prop-1-en-2-yl)oxybenzoic acid
    39535 RDI 1 C18 H23 Cl O6 InChI=1S/C18H23ClO6/c1-9-
    6-15-14(25-15)5-3-2-4-10(
    20)7-11-16(18(23)24-9)12(
    21)8-13(22)17(11)19/h9,11
    ,14-17H,2-8H2,1H3/t9-,11-
    ,14-,15-,16?,17+/m1/s1;
    AECPBJMOGBFQDN-NIODCRKGSA-N    		 C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl
    )C(=O)CC(=O)[CH]3C(=O)O1; O=C2CC(=O)C(Cl
    )C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C; C[C@@H
    ]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC
    (=O)C3Cl)C(=O)O1; CC1CC2C(O2)CCCCC(=O)CC
    3C(C(=O)CC(=O)C3Cl)C(=O)O1; C[C@@H]1C[C@
    H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O
    )CC(=O)[C@H]3C(=O)O1    		 RADICICOL
    39536 RDJ
    ZINC000006843211    		 7 C9 H15 N3 O2 S InChI=1S/C9H15N3O2S/c1-4-
    10-7(13)5-15-9-12-11-8(14
    -9)6(2)3/h6H,4-5H2,1-3H3,
    (H,10,13);
    DWIDCIXKOJCTSJ-UHFFFAOYSA-N    		 c1(SCC(=O)NCC)nnc(o1)C(C)C; CCNC(=O)CSc1
    oc(nn1)C(C)C; CCNC(=O)CSc1nnc(o1)C(C)C    		 N-ethyl-2-{[5-(propan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
    39537 RDK 2 C19 H16 Cl N3 O3 S InChI=1S/C19H16ClN3O3S/c1
    -19(11-22-27(25,26)17-7-6
    -13(20)8-15(17)19)18(24)2
    3-16-10-21-9-12-4-2-3-5-1
    4(12)16/h2-10,22H,11H2,1H
    3,(H,23,24)/t19-/m1/s1;
    PHRFKYXEKRVOIU-LJQANCHMSA-N    		 C[C@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)N
    c3cncc4ccccc34; CC1(CNS(=O)(=O)c2c1cc(cc
    2)Cl)C(=O)Nc3cncc4c3cccc4; Clc1ccc2c(c1)
    C(C)(CNS2(=O)=O)C(=O)Nc1cncc2ccccc21; C[
    C@]1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cn
    cc4c3cccc4; C[C]1(CN[S](=O)(=O)c2ccc(Cl)
    cc12)C(=O)Nc3cncc4ccccc34    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    39538 RDL
    DB02214
    ZINC000013543028    		 23 C11 H14 N4 O8 InChI=1S/C11H14N4O8/c16-2
    -4(18)6(19)3(17)1-15-7-5(
    12-9(21)10(15)22)8(20)14-
    11(23)13-7/h3-4,6,16-19H,
    1-2H2,(H,12,21)(H2,13,14,
    20,23)/t3-,4+,6-/m0/s1;
    MIBROOURCUHKMD-RPDRRWSUSA-N    		 OC[C@@H](O)[C@@H](O)[C@@H](O)CN1C(=O)C(=
    O)NC2=C1NC(=O)NC2=O; OC[CH](O)[CH](O)[CH
    ](O)CN1C(=O)C(=O)NC2=C1NC(=O)NC2=O; O=C1
    NC2=C(C(=O)N1)NC(=O)C(=O)N2CC(O)C(O)C(O)
    CO; C(C(C(C(CO)O)O)O)N1C2=C(C(=O)NC(=O)N
    2)NC(=O)C1=O; C([C@@H]([C@@H]([C@@H](CO)
    O)O)O)N1C2=C(C(=O)NC(=O)N2)NC(=O)C1=O    		 6,7-DIOXO-5H-8-RIBITYLAMINOLUMAZINE
    39539 RDM
    ZINC000000135380    		 3 C12 H15 N O3 InChI=1S/C12H15NO3/c1-9(1
    4)13-11(12(15)16)8-7-10-5
    -3-2-4-6-10/h2-6,11H,7-8H
    2,1H3,(H,13,14)(H,15,16)/
    t11-/m1/s1;
    CNQZAOFOKXXEOB-LLVKDONJSA-N    		 CC(=O)NC(CCc1ccccc1)C(=O)O; CC(=O)N[C@H]
    (CCc1ccccc1)C(O)=O; CC(=O)N[CH](CCc1cccc
    c1)C(O)=O; C(c1ccccc1)CC(C(=O)O)NC(=O)C;
    CC(=O)N[C@H](CCc1ccccc1)C(=O)O    		 (2R)-2-(acetylamino)-4-phenylbutanoic acid
    39540 RDN 1 C18 H18 N4 O2 InChI=1S/C18H18N4O2/c23-1
    7(24)12-8-22(9-18(12)6-3-
    7-18)16-14-11-4-1-2-5-13(
    11)21-15(14)19-10-20-16/h
    1-2,4-5,10,12H,3,6-9H2,(H
    ,23,24)(H,19,20,21)/t12-/
    m1/s1;
    GCIZFGPLNCVZMB-GFCCVEGCSA-N    		 c1ccc2c(c1)c3c([nH]2)ncnc3N4C[C@@H](C5(C
    4)CCC5)C(=O)O; OC(=O)[CH]1CN(CC12CCC2)c3
    ncnc4[nH]c5ccccc5c34; c1ccc2c(c1)c3c([nH
    ]2)ncnc3N4CC(C5(C4)CCC5)C(=O)O; O=C(O)C1
    CN(CC21CCC2)c1ncnc2[NH]c3ccccc3c12; OC(=
    O)[C@H]1CN(CC12CCC2)c3ncnc4[nH]c5ccccc5c
    34    		 (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid
    39541 RDO 1 C15 H16 F3 N O3 InChI=1S/C15H16F3NO3/c1-2
    -22-14(21)7-6-13(20)19-9-
    8-10-11(15(16,17)18)4-3-5
    -12(10)19/h3-5H,2,6-9H2,1
    H3;
    ZUBJCDWADSBMLA-UHFFFAOYSA-N    		 CCOC(=O)CCC(=O)N1CCc2c1cccc2C(F)(F)F ethyl 4-oxidanylidene-4-[4-(trifluoromethyl)-2,3-dihydroindol-1-yl]butanoate;
    (2R,3S,4R,5R,6R)-6-((1R,2R,3S,4R,6S)-4,6-DIAMINO-2,3-DIHYDROXYCYCLOHEXYLOXY)-5-AMINO-2-(AMINOMETHYL)-TETRAHYDRO-2H-PYRA N-3,4-DIOL;
    NEOMYCIN A;
    NEAMINE;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-alpha-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-D-glucoside;
    (1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,6-dideoxy-glucoside
    39542 RDP
    CHEMBL603367
    DB03101    		 0 C5 H11 O8 P InChI=1/C5H11O8P/c6-1-2-3
    (7)4(8)5(12-2)13-14(9,10)
    11/h2-8H,1H2,(H2,9,10,11)
    /t2-,3-,4-,5-/m1/s1/f/h9-
    10H;
    YXJDFQJKERBOBM-MGGMCEATDD    		 C([C@@H]1[C@H]([C@H]([C@H](O1)OP(=O)(O)O
    )O)O)O; C(C1C(C(C(O1)OP(=O)(O)O)O)O)O; O
    C[C@H]1O[C@H](O[P](O)(O)=O)[C@H](O)[C@@H
    ]1O; OC[CH]1O[CH](O[P](O)(O)=O)[CH](O)[C
    H]1O; O=P(OC1OC(C(O)C1O)CO)(O)O    		 ALPHA-D-RIBOSE-1-PHOSPHATE
    39543 RDQ 2 C23 H22 Cl N5 O5 S InChI=1S/C23H22ClN5O5S/c1
    -25-21(30)12-29-11-19(18-
    7-14(24)4-6-16(18)23(29)3
    2)22(31)27-20-10-26-9-13-
    3-5-15(8-17(13)20)28-35(2
    ,33)34/h3-10,19,28H,11-12
    H2,1-2H3,(H,25,30)(H,27,3
    1)/t19-/m1/s1;
    KEXXOTYEALJBRL-LJQANCHMSA-N    		 CNC(=O)CN1C[CH](C(=O)Nc2cncc3ccc(N[S](C)
    (=O)=O)cc23)c4cc(Cl)ccc4C1=O; CNC(=O)CN1
    CC(c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc4c3cc(cc
    4)NS(=O)(=O)C; CNC(=O)CN1C[C@@H](C(=O)Nc
    2cncc3ccc(N[S](C)(=O)=O)cc23)c4cc(Cl)ccc
    4C1=O; CS(=O)(=O)Nc1cc2c(cc1)cncc2NC(=O)
    C1CN(CC(=O)NC)C(=O)c2ccc(Cl)cc21; CNC(=O
    )CN1C[C@H](c2cc(ccc2C1=O)Cl)C(=O)Nc3cncc
    4c3cc(cc4)NS(=O)(=O)C    		 (4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39544 RDR
    CHEMBL157813
    ZINC000002047638    		 1 C22 H21 Cl N4 O4 S2 InChI=1S/C22H21ClN4O4S2/c
    23-17-2-1-15-10-22(32-20(
    15)11-17)33(30,31)26-6-5-
    25(21(29)14-26)13-18-9-16
    -12-24-4-3-19(16)27(18)7-
    8-28/h1-4,9-12,28H,5-8,13
    -14H2;
    NZNFLUOJACWZKX-UHFFFAOYSA-N    		 OCCn1c(CN2CCN(CC2=O)[S](=O)(=O)c3sc4cc(C
    l)ccc4c3)cc5cnccc15; c1cc(cc2c1cc(s2)S(=
    O)(=O)[N@]3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl; O=C3N(Cc2cc1cnccc1n2CCO)CCN(C3)S(=O
    )(=O)c5sc4cc(Cl)ccc4c5; c1cc(cc2c1cc(s2)
    S(=O)(=O)N3CCN(C(=O)C3)Cc4cc5cnccc5n4CCO
    )Cl    		 4-[(6-CHLORO-1-BENZOTHIEN-2-YL)SULFONYL]-1-{[1-(2-HYDROXYETHYL)-1H-PYRROLO[3,2-C]PYRIDIN-2-YL]METHYL}PIPERAZIN-2-ONE
    39545 RDS 9 C14 H16 Cl N3 O S InChI=1S/C14H16ClN3OS/c1-
    3-9(2)19-13-8-12(16)17-14
    (18-13)20-11-6-4-5-10(15)
    7-11/h4-9H,3H2,1-2H3,(H2,
    16,17,18)/t9-/m1/s1;
    YBCXWCRIGXVZRG-SECBINFHSA-N    		 CCC(C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[C@
    @H](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1; CC[C@
    @H](C)Oc1cc(nc(n1)Sc2cccc(c2)Cl)N; CC[CH
    ](C)Oc1cc(N)nc(Sc2cccc(Cl)c2)n1    		 6-sec-Butoxy-2-[(3-chlorophenyl)sulfanyl]-4-pyrimidinamine
    39546 RDT
    ZINC000049110143    		 1 C12 H18 N2 O4 S InChI=1S/C12H18N2O4S/c1-8
    -10-7-12(18-3)11(17-2)6-9
    (10)4-5-14(8)19(13,15)16/
    h6-8H,4-5H2,1-3H3,(H2,13,
    15,16)/t8-/m1/s1;
    GUJQIHRSATWPQA-MRVPVSSYSA-N    		 COc1cc2CCN([CH](C)c2cc1OC)[S](N)(=O)=O;
    COc1cc2CCN([C@H](C)c2cc1OC)[S](N)(=O)=O;
    C[C@@H]1c2cc(c(cc2CC[N@]1S(=O)(=O)N)OC)
    OC; O=S(=O)(N)N2C(c1c(cc(OC)c(OC)c1)CC2)
    C; CC1c2cc(c(cc2CCN1S(=O)(=O)N)OC)OC    		 (1R)-6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline-2(1H)-sulfonamide
    39547 RDU 1 C18 H19 F N4 O2 InChI=1S/C18H19FN4O2/c19-
    11-2-3-13-14(6-11)22-16-1
    5(13)17(21-10-20-16)23-7-
    12(8-24)25-18(9-23)4-1-5-
    18/h2-3,6,10,12,24H,1,4-5
    ,7-9H2,(H,20,21,22)/t12-/
    m1/s1;
    LYLUBGOVYDDPIC-GFCCVEGCSA-N    		 OC[CH]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)
    ccc5c34; Fc1ccc2c3c([NH]c2c1)ncnc3N1CC2(
    CCC2)OC(C1)CO; c1cc2c(cc1F)[nH]c3c2c(ncn
    3)N4C[C@@H](OC5(C4)CCC5)CO; c1cc2c(cc1F)
    [nH]c3c2c(ncn3)N4CC(OC5(C4)CCC5)CO; OC[C
    @H]1CN(CC2(CCC2)O1)c3ncnc4[nH]c5cc(F)ccc
    5c34    		 [(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol
    39548 RDV
    CHEMBL4578549
    ZINC000000245523    		 7 C12 H22 N2 O InChI=1S/C12H22N2O/c15-12
    (14-9-7-13-8-10-14)6-5-11
    -3-1-2-4-11/h11,13H,1-10H
    2;
    PUCYMVZANVWWKV-UHFFFAOYSA-N    		 C2C(CCC(=O)N1CCNCC1)CCC2; C1CCC(C1)CCC(=
    O)N2CCNCC2; O=C(CCC1CCCC1)N2CCNCC2    		 3-cyclopentyl-1-(piperazin-1-yl)propan-1-one
    39549 RDX 2 C22 H23 Cl N4 O4 S InChI=1S/C22H23ClN4O4S/c1
    -26(8-9-28)32(30,31)27-13
    -16-6-7-17(23)10-19(16)20
    (14-27)22(29)25-21-12-24-
    11-15-4-2-3-5-18(15)21/h2
    -7,10-12,20,28H,8-9,13-14
    H2,1H3,(H,25,29)/t20-/m1/
    s1;
    RGTAJMPNICITLK-HXUWFJFHSA-N    		 CN(CCO)[S](=O)(=O)N1C[CH](C(=O)Nc2cncc3c
    cccc23)c4cc(Cl)ccc4C1; OCCN(C)S(=O)(=O)N
    1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc2ccccc21;
    CN(CCO)S(=O)(=O)N1Cc2ccc(cc2C(C1)C(=O)N
    c3cncc4c3cccc4)Cl; CN(CCO)S(=O)(=O)N1Cc2
    ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl
    ; CN(CCO)[S](=O)(=O)N1C[C@@H](C(=O)Nc2cn
    cc3ccccc23)c4cc(Cl)ccc4C1    		 (4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39550 RDY
    ZINC000002526285    		 2 C12 H15 N O4 InChI=1S/C12H15NO4/c1-9(1
    1(14)15)13(2)12(16)17-8-1
    0-6-4-3-5-7-10/h3-7,9H,8H
    2,1-2H3,(H,14,15)/t9-/m0/
    s1;
    QGEQKVZQPWSOTI-VIFPVBQESA-N    		 CC(C(=O)O)N(C)C(=O)OCc1ccccc1; O(Cc1cccc
    c1)C(=O)N(C(C(O)=O)C)C; C[C@H](N(C)C(=O)
    OCc1ccccc1)C(O)=O; C[C@@H](C(=O)O)N(C)C(
    =O)OCc1ccccc1; C[CH](N(C)C(=O)OCc1ccccc1
    )C(O)=O    		 N-[(benzyloxy)carbonyl]-N-methyl-L-alanine
    39551 RDZ
    ZINC000001532829    		 2 C10 H19 O4 P InChI=1S/C10H19O4P/c1-9(2
    )5-4-6-10(3)7-8-14-15(11,
    12)13/h5,7H,4,6,8H2,1-3H3
    ,(H2,11,12,13)/b10-7+;
    FFOWJDCTFSWUMJ-JXMROGBWSA-N    		 CC(=CCC/C(=C/COP(=O)(O)O)/C)C; CC(C)=CCC
    C(C)=CCO[P](O)(O)=O; CC(=CCCC(=CCOP(=O)(
    O)O)C)C; CC(C)=CCC\C(C)=C\CO[P](O)(O)=O    		 Geranyl phosphate;
    [(2E)-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate;
    [(2~{E})-3,7-dimethylocta-2,6-dienyl] dihydrogen phosphate
    39552 RE 10 Re InChI=1S/Re;
    WUAPFZMCVAUBPE-UHFFFAOYSA-N    		 [Re] RHENIUM
    39553 RE0 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11+/m0/s1;
    BZRCOYDQHJWPQZ-WRWORJQWSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)[C@@](C(=O)N2)(C[C@@H](C(=O)O)N
    )O; c1ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O;
    N[C@@H](C[C@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    39554 RE1
    DB01868    		 1 C11 H21 N3 O7 P InChI=1S/C11H22N3O7P/c1-7
    (22(19,20)21)13-9(15)5-3-
    2-4-8(11(17)18)14-10(16)6
    -12/h7-8H,2-6,12H2,1H3,(H
    ,13,15)(H,14,16)(H,17,18)
    (H2,19,20,21)/p-1/t7-,8-/
    m0/s1;
    DREJXTKPUGMERN-YUMQZZPRSA-M    		 CC(NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+])P
    (=O)(O)[O-]; C[CH](NC(=O)CCCC[CH](NC(=O)
    C[NH3+])C([O-])=O)[P](O)([O-])=O; [O-]P(
    =O)(O)C(NC(=O)CCCCC(C([O-])=O)NC(=O)C[NH
    3+])C; C[C@@H](NC(=O)CCCC[C@@H](C(=O)[O-
    ])NC(=O)C[NH3+])[P@](=O)(O)[O-]; C[C@@H]
    (NC(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O
    )[P](O)([O-])=O    		 GLYCYL-L-A-AMINOPIMELYL-E-(D-2-AMINOETHYL)PHOSPHONATE
    39555 RE2
    CHEMBL111234
    DB08466
    ZINC000000899123    		 2 C14 H14 O3 InChI=1S/C14H14O3/c15-12-
    5-3-10(4-6-12)1-2-11-7-13
    (16)9-14(17)8-11/h3-9,15-
    17H,1-2H2;
    HITJFUSPLYBJPE-UHFFFAOYSA-N    		 c1cc(ccc1CCc2cc(cc(c2)O)O)O; Oc1cc(cc(O)
    c1)CCc2ccc(O)cc2; Oc1ccc(CCc2cc(O)cc(O)c
    2)cc1    		 5-[2-(4-hydroxyphenyl)ethyl]benzene-1,3-diol;
    Dihydroresveratrol
    39556 RE3 0 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-7
    (9(14)15)5-11(17)6-3-1-2-
    4-8(6)13-10(11)16/h1-4,7,
    17H,5,12H2,(H,13,16)(H,14
    ,15)/t7-,11-/m0/s1;
    BZRCOYDQHJWPQZ-CPCISQLKSA-N    		 N[CH](C[C]1(O)C(=O)Nc2ccccc12)C(O)=O; c1
    ccc2c(c1)C(C(=O)N2)(CC(C(=O)O)N)O; c1ccc
    2c(c1)[C@](C(=O)N2)(C[C@@H](C(=O)O)N)O;
    N[C@@H](C[C@@]1(O)C(=O)Nc2ccccc12)C(O)=O
    ; O=C(O)C(N)CC2(O)c1ccccc1NC2=O    		 3-[(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine
    39557 RE4
    CHEMBL1460702
    ZINC000000073355    		 11 C11 H13 N5 InChI=1S/C11H13N5/c1-8-5-
    10(16-11(12)15-8)14-7-9-3
    -2-4-13-6-9/h2-6H,7H2,1H3
    ,(H3,12,14,15,16);
    DSSCXCDTPABWJX-UHFFFAOYSA-N    		 Cc1cc(NCc2cccnc2)nc(N)n1; c2(nc(NCc1cccn
    c1)cc(n2)C)N; Cc1cc(nc(n1)N)NCc2cccnc2    		 6-methyl-N~4~-[(pyridin-3-yl)methyl]pyrimidine-2,4-diamine
    39558 RE5
    CHEMBL4797204    		 3 C14 H21 N6 O7 P InChI=1S/C14H21N6O7P/c1-8
    (4-20-6-18-11-12(15)16-5-
    17-13(11)20)27-7-28(25,26
    )19-9(14(23)24)2-3-10(21)
    22/h5-6,8-9H,2-4,7H2,1H3,
    (H,21,22)(H,23,24)(H2,15,
    16,17)(H2,19,25,26)/t8-,9
    +/m1/s1;
    CIXAAKVRZFPIJB-BDAKNGLRSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CCC(O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OC
    P(=O)(NC(CCC(=O)O)C(=O)O)O; C[C@H](Cn1cn
    c2c1ncnc2N)OCP(=O)(N[C@@H](CCC(=O)O)C(=O
    )O)O; C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(
    =O)N[C@@H](CCC(O)=O)C(O)=O    		 L-Glutamate Tenofovir;
    (2~{S})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]pentanedioic acid
    39559 RE6 0 C8 H16 O2 InChI=1S/C8H16O2/c1-3-7(2
    )5-4-6-8(9)10/h7H,3-6H2,1
    -2H3,(H,9,10)/t7-/m1/s1;
    OJTHHBCWUMTZEY-SSDOTTSWSA-N    		 CC[C@@H](C)CCCC(=O)O; CCC(C)CCCC(=O)O; C
    C[CH](C)CCCC(O)=O; CC[C@@H](C)CCCC(O)=O    		 (5R)-5-methylheptanoic acid
    39560 RE7
    ZINC000042538761    		 2 C13 H16 F N3 InChI=1S/C13H16FN3/c1-11(
    12-3-5-13(14)6-4-12)15-8-
    10-17-9-2-7-16-17/h2-7,9,
    11,15H,8,10H2,1H3/t11-/m1
    /s1;
    GDFKNYCJQSHPRK-LLVKDONJSA-N    		 CC(c1ccc(cc1)F)NCCn2cccn2; C[C@@H](NCCn1
    cccn1)c2ccc(F)cc2; C[C@H](c1ccc(cc1)F)NC
    Cn2cccn2; C[CH](NCCn1cccn1)c2ccc(F)cc2;
    c1cc(ccc1F)C(NCCn2cccn2)C    		 (1R)-1-(4-fluorophenyl)-N-[2-(1H-pyrazol-1-yl)ethyl]ethan-1-amine
    39561 RE8
    CHEMBL122275
    ZINC000003846900    		 5 C20 H14 N2 O4 S InChI=1S/C20H14N2O4S/c23-
    18-11-9-13-5-1-2-6-14(13)
    20(18)22-21-17-10-12-19(2
    7(24,25)26)16-8-4-3-7-15(
    16)17/h1-12,23H,(H,24,25,
    26)/b22-21+;
    JSAKRLDIZOGQTN-QURGRASLSA-N    		 Oc1ccc2ccccc2c1N=Nc3ccc(c4ccccc34)[S](O)
    (=O)=O; c1ccc2c(c1)ccc(c2/N=N/c3ccc(c4c3
    cccc4)S(=O)(=O)O)O; O=S(=O)(O)c4ccc(/N=N
    /c2c1ccccc1ccc2O)c3ccccc34; c1ccc2c(c1)c
    cc(c2N=Nc3ccc(c4c3cccc4)S(=O)(=O)O)O    		 4-[(E)-(2-hydroxynaphthalen-1-yl)diazenyl]naphthalene-1-sulfonic acid;
    Acid red 88
    39562 RE9
    DB08467
    ZINC000015475858    		 1 C20 H28 O2 InChI=1S/C20H28O2/c1-14(1
    2-18(21)22)8-6-11-20(5)13
    -17-16(15(20)2)9-7-10-19(
    17,3)4/h6,8,12H,2,7,9-11,
    13H2,1,3-5H3,(H,21,22)/b8
    -6+,14-12+/t20-/m1/s1;
    HEVXQLBAMFMFKU-IAZPEVBMSA-N    		 CC(=CC(=O)O)C=CCC1(CC2=C(C1=C)CCCC2(C)C)
    C; C\C(=C/C(=O)O)\C=C\C[C@@]1(CC2=C(C1=C
    )CCCC2(C)C)C; CC(/C=C/C[C@]1(C)CC2=C(CCC
    C2(C)C)C1=C)=C\C(O)=O; CC(C=CC[C]1(C)CC2
    =C(CCCC2(C)C)C1=C)=CC(O)=O; O=C(O)\C=C(\
    C=C\CC1(C(/C2=C(C1)C(CCC2)(C)C)=C)C)C    		 6-(2,3,4,5,6,7-HEXAHYDRO-2,4,4-TRIMETHYL-1-METYLENEINDEN-2-YL)-3-METHYLHEXA-2,4-DIENOIC ACID
    39563 REA
    CHEMBL38
    DB00755
    ZINC000012358651    		 38 C20 H28 O2 InChI=1S/C20H28O2/c1-15(8
    -6-9-16(2)14-19(21)22)11-
    12-18-17(3)10-7-13-20(18,
    4)5/h6,8-9,11-12,14H,7,10
    ,13H2,1-5H3,(H,21,22)/b9-
    6+,12-11+,15-8+,16-14+;
    SHGAZHPCJJPHSC-YCNIQYBTSA-N    		 CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC(=O)O)C
    )C; CC1=C(\C=C\C(C)=C\C=C\C(C)=C\C(O)=O)
    C(C)(C)CCC1; CC1=C(C=CC(C)=CC=CC(C)=CC(O
    )=O)C(C)(C)CCC1; CC1=C(C(CCC1)(C)C)/C=C/
    C(=C/C=C/C(=C/C(=O)O)/C)/C; C1(CCCC(=C1\
    C=C\C(=C\C=C\C(=C\C(=O)O)C)C)C)(C)C    		 RETINOIC ACID
    39564 REB
    CHEMBL1235645
    ZINC000058651050    		 5 C18 H17 N7 InChI=1S/C18H17N7/c19-9-7
    -12-1-5-14(6-2-12)21-18-2
    0-10-8-16(23-18)22-17-11-
    15(24-25-17)13-3-4-13/h1-
    2,5-6,8,10-11,13H,3-4,7H2
    ,(H3,20,21,22,23,24,25);
    YRRRHSNOXWKVDL-UHFFFAOYSA-N    		 N#CCc1ccc(cc1)Nc4nc(Nc2nnc(c2)C3CC3)ccn4
    ; c1cc(ccc1CC#N)Nc2nccc(n2)Nc3cc([nH]n3)
    C4CC4; N#CCc1ccc(Nc2nccc(Nc3cc([nH]n3)C4
    CC4)n2)cc1    		 [4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}amino)phenyl]acetonitrile
    39565 REC
    ZINC000058651052    		 4 C15 H21 N3 O7 S InChI=1S/C15H21N3O7S/c1-7
    -6-26-12(18-10(7)14(22)23
    )11(15(24)25)17-9(19)5-3-
    2-4-8(16)13(20)21/h8,11-1
    2H,1-6,16H2,(H,17,19)(H,2
    0,21)(H,22,23)(H,24,25)/t
    8-,11+,12-/m1/s1;
    JGKXEMYIHDYWCZ-JFUSQASVSA-N    		 O=C(O)C(N)CCCCC(=O)NC(C(=O)O)C1N=C(\C(=C
    )CS1)C(=O)O; C=C1CS[C@@H](N=C1C(=O)O)[C@
    @H](C(=O)O)NC(=O)CCCC[C@H](C(=O)O)N; C=C
    1CSC(N=C1C(=O)O)C(C(=O)O)NC(=O)CCCCC(C(=
    O)O)N; N[CH](CCCCC(=O)N[CH]([CH]1SCC(=C)
    C(=N1)C(O)=O)C(O)=O)C(O)=O; N[C@H](CCCCC
    (=O)N[C@@H]([C@H]1SCC(=C)C(=N1)C(O)=O)C(
    O)=O)C(O)=O    		 CEPHALOSPORIN;
    (2R)-2-[(R)-{[(6R)-6-amino-6-carboxyhexanoyl]amino}(carboxy)methyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxy lic acid
    39566 RED
    CHEMBL1235647
    DB03760
    ZINC000003869601    		 10 C8 H16 O2 S2 InChI=1S/C8H16O2S2/c9-8(1
    0)4-2-1-3-7(12)5-6-11/h7,
    11-12H,1-6H2,(H,9,10)/t7-
    /m1/s1;
    IZFHEQBZOYJLPK-SSDOTTSWSA-N    		 C(CCC(=O)O)CC(CCS)S; C(CCC(=O)O)C[C@H](C
    CS)S; O=C(O)CCCCC(S)CCS; OC(=O)CCCC[C@@H
    ](S)CCS; OC(=O)CCCC[CH](S)CCS    		 DIHYDROLIPOIC ACID
    39567 REE
    CHEMBL1235648
    ZINC000000003864    		 1 C6 H15 N2 O2 InChI=1S/C6H14N2O2/c1-8(2
    ,3)7-5-4-6(9)10/h7H,4-5H2
    ,1-3H3/p+1;
    PVBQYTCFVWZSJK-UHFFFAOYSA-O    		 C[N+](C)(C)NCCC(=O)O; C[N+](C)(C)NCCC(O)
    =O; O=C(O)CCN[N+](C)(C)C    		 2-(2-carboxyethyl)-1,1,1-trimethyldiazanium
    39568 REF
    CHEMBL6246
    DB08846
    ZINC000003872446    		 6 C14 H6 O8 InChI=1S/C14H6O8/c15-5-1-
    3-7-8-4(14(20)22-11(7)9(5
    )17)2-6(16)10(18)12(8)21-
    13(3)19/h1-2,15-18H;
    AFSDNFLWKVMVRB-UHFFFAOYSA-N    		 Oc1cc2C(=O)Oc3c(O)c(O)cc4C(=O)Oc(c1O)c2c
    34; c1c2c-3c(c(c1O)O)OC(=O)c4c3c(c(c(c4)
    O)O)OC2=O; O=C1Oc3c2c4c1cc(O)c(O)c4OC(=O
    )c2cc(O)c3O    		 2,3,7,8-tetrahydroxychromeno[5,4,3-cde]chromene-5,10-dione;
    Ellagic acid, 4,4',5,5',6,6'-Hexahydroxydiphenic acid 2,6,2',6'-dilactone
    39569 REG
    ZINC000030984714    		 7 C11 H20 N2 O2 InChI=1S/C11H20N2O2/c14-1
    1(13-9-4-1-2-5-9)12-8-10-
    6-3-7-15-10/h9-10H,1-8H2,
    (H2,12,13,14)/t10-/m0/s1;
    GZCFMEFTVSKHDE-JTQLQIEISA-N    		 O=C(NC[C@@H]1CCCO1)NC2CCCC2; C1CCC(C1)NC
    (=O)NCC2CCCO2; C1CCC(C1)NC(=O)NC[C@@H]2C
    CCO2; O=C(NC[CH]1CCCO1)NC2CCCC2    		 1-cyclopentyl-3-[[(2~{S})-oxolan-2-yl]methyl]urea
    39570 REH 1 C13 H14 F N O InChI=1S/C13H14FNO/c1-9(1
    6)15-8-13(6-3-7-13)12-10(
    14)4-2-5-11(12)15/h2,4-5H
    ,3,6-8H2,1H3;
    WXJBYBVEXXHQQN-UHFFFAOYSA-N    		 CC(=O)N1CC2(CCC2)c3c1cccc3F; CC(=O)N1CC2
    (CCC2)c3c(F)cccc13    		 1-(4-fluoranylspiro[2~{H}-indole-3,1'-cyclobutane]-1-yl)ethanone
    39571 REI 4 C6 H6 N2 O4 Re InChI=1S/C3H4N2.3CO.H2O.R
    e/c1-2-5-3-4-1;3*1-2;;/h1
    -3H,(H,4,5);;;;1H2;/q;;;;
    ;+1;
    KPOHHEXTCRHHSE-UHFFFAOYSA-N    		 O|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C-]#[O
    +])|n1c[nH]cc1; C1=C[N](=CN1)[Re+](C#O)(
    C#O)(C#O)[OH2]    		 Tricarbonyl (aqua) (imidazole) rhenium(I)
    39572 REJ 1 C6 H6 N O6 Re InChI=1S/C3H7NO3.3CO.Re/c
    4-2(1-5)3(6)7;3*1-2;/h2,5
    H,1,4H2,(H,6,7);;;;/q;;;;
    +2/p-1/t2-;;;;/m0..../s1;
    QKENEJKDFPJRFD-AIDJSRAFSA-M    		 C(C1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O)O;
    C([C@H]1C(=O)O[Re+]([NH2]1)(C#O)(C#O)C#O
    )O; N1|[Re+](|[C-]#[O+])(|[C-]#[O+])(|[C
    -]#[O+])OC(=O)[CH]1CO; N1|[Re+](|[C-]#[O
    +])(|[C-]#[O+])(|[C-]#[O+])OC(=O)[C@@H]1
    CO    		 Tricarbonyl (L-serine) rhenium(I)
    39573 REK
    CHEMBL4782555    		 3 C13 H19 N6 O7 P InChI=1S/C13H19N6O7P/c1-7
    (3-19-5-17-10-11(14)15-4-
    16-12(10)19)26-6-27(24,25
    )18-8(13(22)23)2-9(20)21/
    h4-5,7-8H,2-3,6H2,1H3,(H,
    20,21)(H,22,23)(H2,14,15,
    16)(H2,18,24,25)/t7-,8-/m
    1/s1;
    YBOHKRVDTZQCCV-HTQZYQBOSA-N    		 C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[CH
    ](CC(O)=O)C(O)=O; C[C@H](Cn1cnc2c1ncnc2N
    )OCP(=O)(N[C@H](CC(=O)O)C(=O)O)O; C[C@H]
    (Cn1cnc2c(N)ncnc12)OC[P](O)(=O)N[C@H](CC
    (O)=O)C(O)=O; CC(Cn1cnc2c1ncnc2N)OCP(=O)
    (NC(CC(=O)O)C(=O)O)O    		 D-Aspartate Tenofovir;
    (2~{R})-2-[[[(2~{R})-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-oxidanyl-phosphoryl]amino]butanedioic acid
    39574 REL
    CHEMBL1235649
    ZINC000100004705    		 13 C6 H10 O7 InChI=1S/C6H10O7/c7-1-2(8
    )3(9)4(10)5(11)6(12)13/h1
    -5,8-11H,(H,12,13)/t2-,3+
    ,4-,5-/m0/s1;
    IAJILQKETJEXLJ-QTBDOELSSA-N    		 C(=O)C(C(C(C(C(=O)O)O)O)O)O; O[CH](C=O)[
    CH](O)[CH](O)[CH](O)C(O)=O; C(=O)[C@@H](
    [C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O; O[C@
    @H](C=O)[C@@H](O)[C@H](O)[C@H](O)C(O)=O;
    O=C(O)C(O)C(O)C(O)C(O)C=O    		 D-glucuronic acid;
    D-Glucuronate;
    alpha-D-glucofuranuronic acid
    39575 REM
    CHEMBL31601
    DB00212
    ZINC000004217406    		 2 C33 H50 N4 O6 S InChI=1S/C33H50N4O6S/c1-3
    3(2,3)44(42,43)20-25(16-2
    2-10-6-4-7-11-22)31(40)37
    -28(18-26-19-34-21-35-26)
    32(41)36-27(17-23-12-8-5-
    9-13-23)30(39)29(38)24-14
    -15-24/h4,6-7,10-11,19,21
    ,23-25,27-30,38-39H,5,8-9
    ,12-18,20H2,1-3H3,(H,34,3
    5)(H,36,41)(H,37,40)/t25-
    ,27+,28+,29+,30-/m1/s1;
    UXIGZRQVLGFTOU-VQXQMPIVSA-N    		 CC(C)(C)S(=O)(=O)CC(Cc1ccccc1)C(=O)NC(Cc
    2cnc[nH]2)C(=O)NC(CC3CCCCC3)C(C(C4CC4)O)
    O; CC(C)(C)[S](=O)(=O)C[C@@H](Cc1ccccc1)
    C(=O)N[C@@H](Cc2[nH]cnc2)C(=O)N[C@@H](CC
    3CCCCC3)[C@@H](O)[C@@H](O)C4CC4; CC(C)(C
    )S(=O)(=O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]
    (Cc2cnc[nH]2)C(=O)N[C@@H](CC3CCCCC3)[C@H
    ]([C@H](C4CC4)O)O; CC(C)(C)[S](=O)(=O)C[
    CH](Cc1ccccc1)C(=O)N[CH](Cc2[nH]cnc2)C(=
    O)N[CH](CC3CCCCC3)[CH](O)[CH](O)C4CC4; O
    =S(=O)(C(C)(C)C)CC(C(=O)NC(C(=O)NC(CC1CC
    CCC1)C(O)C(O)C2CC2)Cc3cncn3)Cc4ccccc4    		 Nalpha-[(2S)-2-benzyl-3-(tert-butylsulfonyl)propanoyl]-N-[(1S,2R,3S)-1-(cyclohexylmethyl)-3-cyclopropyl-2,3-dihydroxypropyl]-L-histidinamide;
    remikiren
    39576 REN
    CHEMBL235212
    ZINC000000895630    		 6 C19 H23 N O4 InChI=1S/C19H23NO4/c1-20-
    7-6-13-10-19(24-3)17(22)1
    1-14(13)15(20)8-12-4-5-18
    (23-2)16(21)9-12/h4-5,9-1
    1,15,21-22H,6-8H2,1-3H3/t
    15-/m0/s1;
    BHLYRWXGMIUIHG-HNNXBMFYSA-N    		 C[N@@]1CCc2cc(c(cc2[C@@H]1Cc3ccc(c(c3)O)
    OC)O)OC; O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c
    2)CCN3C)C; CN1CCc2cc(c(cc2C1Cc3ccc(c(c3)
    O)OC)O)OC; COc1ccc(C[C@@H]2N(C)CCc3cc(OC
    )c(O)cc23)cc1O; COc1ccc(C[CH]2N(C)CCc3cc
    (OC)c(O)cc23)cc1O    		 (S)-reticuline;
    (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol
    39577 REO 15 O4 Re InChI=1S/4O.Re/q;;;-1;;
    WPWXHJFQOFOBAC-UHFFFAOYSA-N    		 [O-][Re](=O)(=O)=O PERRHENATE
    39578 REP 15 C15 H8 N2 O3 Re InChI=1S/C12H8N2.3CO.Re/c
    1-3-9-5-6-10-4-2-8-14-12(
    10)11(9)13-7-1;3*1-2;/h1-
    8H;;;;;
    HRZLGVADJDWBIJ-UHFFFAOYSA-N    		 C1=C[N]2=C3C(=C1)C=CC4=CC=C[N](=C43)[Re]
    2(C#O)(C#O)C#O; [Re].[C-]#[O+].[C-]#[O+]
    .[C-]#[O+].c1cnc2c(c1)ccc3cccnc23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    39579 REQ 20 C17 H12 N2 O3 Re InChI=1S/C14H12N2.3CO.Re/
    c1-9-5-7-15-13-11(9)3-4-1
    2-10(2)6-8-16-14(12)13;3*
    1-2;/h3-8H,1-2H3;;;;;
    SINYNGNXCUIFTB-UHFFFAOYSA-N    		 CC1=C2C=CC3=C4C2=[N](C=C1)[Re]([N]4=CC=C
    3C)(C#O)(C#O)C#O; [Re]|1(|[C-]#[O+])(|[C
    -]#[O+])(|[C-]#[O+])|n2ccc(C)c3ccc4c(C)c
    cn|1c4c23    		 (1,10 PHENANTHROLINE)-(TRI-CARBON MONOXIDE) RHENIUM (I)
    39580 RER 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-4-6(
    10)7(2,8)3-5(9)11-4/h4-6,
    9-10H,3,8H2,1-2H3/t4-,5+,
    6+,7-/m0/s1;
    OIJZDPGKNVKVBL-WNJXEPBRSA-N    		 CC1C(C(CC(O1)O)(C)N)O; C[C@H]1[C@H]([C@@
    ](C[C@@H](O1)O)(C)N)O; C[C@@H]1O[C@@H](O
    )C[C@](C)(N)[C@@H]1O; OC1OC(C(O)C(N)(C)C
    1)C; C[CH]1O[CH](O)C[C](C)(N)[CH]1O    		 vancosamine;
    (1R,3S,4S,5S)-3-amino-2,3,6-trideoxy-3-methyl-alpha-L-arabino-hexopyranose
    39581 RES
    CHEMBL116018
    DB04496    		 22 C4 H10 N O8 P InChI=1S/C4H10NO8P/c6-2(1
    -13-14(10,11)12)3(7)4(8)5
    -9/h2-3,6-7,9H,1H2,(H,5,8
    )(H2,10,11,12)/t2-,3-/m1/
    s1;
    JJQQOJRGUHNREK-PWNYCUMCSA-N    		 ONC(=O)[CH](O)[CH](O)CO[P](O)(O)=O; ONC(
    =O)[C@H](O)[C@H](O)CO[P](O)(O)=O; C(C(C(
    C(=O)NO)O)O)OP(=O)(O)O; O=P(O)(O)OCC(O)C
    (O)C(=O)NO; C([C@H]([C@H](C(=O)NO)O)O)OP
    (=O)(O)O    		 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID
    39582 RET
    CHEMBL81379
    ZINC000004228262    		 962 C20 H28 O InChI=1S/C20H28O/c1-16(8-
    6-9-17(2)13-15-21)11-12-1
    9-18(3)10-7-14-20(19,4)5/
    h6,8-9,11-13,15H,7,10,14H
    2,1-5H3/b9-6+,12-11+,16-8
    +,17-13+;
    NCYCYZXNIZJOKI-OVSJKPMPSA-N    		 CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C
    )C; O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C
    )C)C)C; CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/
    C(=C/C=O)/C)/C; CC1=C(C(CCC1)(C)C)C=CC(=
    CC=CC(=CC=O)C)C; CC(=CC=O)C=CC=C(C)C=CC1
    =C(C)CCCC1(C)C    		 RETINAL
    39583 REU 2 C23 H23 Cl N4 O2 InChI=1S/C23H23ClN4O2/c1-
    14(22(29)25-2)28-12-16-7-
    8-17(24)9-19(16)20(13-28)
    23(30)27-21-11-26-10-15-5
    -3-4-6-18(15)21/h3-11,14,
    20H,12-13H2,1-2H3,(H,25,2
    9)(H,27,30)/t14-,20+/m0/s
    1;
    JYNPSSIRIGNSBA-VBKZILBWSA-N    		 CNC(=O)[CH](C)N1C[CH](C(=O)Nc2cncc3ccccc
    23)c4cc(Cl)ccc4C1; CC(C(=O)NC)N1Cc2ccc(c
    c2C(C1)C(=O)Nc3cncc4c3cccc4)Cl; C[C@@H](
    C(=O)NC)N1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cn
    cc4c3cccc4)Cl; CNC(=O)[C@H](C)N1C[C@@H](
    C(=O)Nc2cncc3ccccc23)c4cc(Cl)ccc4C1; CNC
    (=O)C(C)N1Cc2ccc(Cl)cc2C(C1)C(=O)Nc1cncc
    2ccccc21    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    39584 REV
    ZINC000263620885    		 2 C17 H20 O4 InChI=1S/C17H20O4/c1-4-12
    (11-8-6-5-7-9-11)13-10-14
    (18)16(20-2)17(21-3)15(13
    )19/h5-10,12,18-19H,4H2,1
    -3H3/t12-/m0/s1;
    PIKYYJHZIWYFFE-LBPRGKRZSA-N    		 CC[C@@H](c1ccccc1)c2cc(O)c(OC)c(OC)c2O;
    O(c1c(O)c(cc(O)c1OC)C(c2ccccc2)CC)C; CC[
    C@@H](c1ccccc1)c2cc(c(c(c2O)OC)OC)O; CC[
    CH](c1ccccc1)c2cc(O)c(OC)c(OC)c2O; CCC(c
    1ccccc1)c2cc(c(c(c2O)OC)OC)O    		 2,3-dimethoxy-5-[(1S)-1-phenylpropyl]benzene-1,4-diol
    39585 REW
    CHEMBL271240
    ZINC000029126212    		 1 C30 H28 N2 O6 InChI=1S/C30H28N2O6/c1-19
    -26(31-28(38-19)21-8-4-3-
    5-9-21)15-16-37-24-10-6-7
    -20(17-24)18-25-27(30(34)
    35)32(29(25)33)22-11-13-2
    3(36-2)14-12-22/h3-14,17,
    25,27H,15-16,18H2,1-2H3,(
    H,34,35)/t25-,27-/m0/s1;
    DKIUFVFEAUCDLY-BDYUSTAISA-N    		 COc1ccc(cc1)N2[CH]([CH](Cc3cccc(OCCc4nc(
    oc4C)c5ccccc5)c3)C2=O)C(O)=O; COc1ccc(cc
    1)N2[C@@H]([C@H](Cc3cccc(OCCc4nc(oc4C)c5
    ccccc5)c3)C2=O)C(O)=O; Cc1c(nc(o1)c2cccc
    c2)CCOc3cccc(c3)CC4C(N(C4=O)c5ccc(cc5)OC
    )C(=O)O; Cc1c(nc(o1)c2ccccc2)CCOc3cccc(c
    3)C[C@H]4[C@H](N(C4=O)c5ccc(cc5)OC)C(=O)
    O; O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(O
    CCc3nc(oc3C)c4ccccc4)ccc5    		 (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID;
    4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3 -ium
    39586 REX
    DB02578
    ZINC000015599994    		 1 C15 H26 N4 O7 InChI=1S/C15H26N4O7/c1-8(
    13(22)18-9(2)14(23)24)17-
    11(20)6-4-3-5-10(15(25)26
    )19-12(21)7-16/h8-10H,3-7
    ,16H2,1-2H3,(H,17,20)(H,1
    8,22)(H,19,21)(H,23,24)(H
    ,25,26)/t8-,9-,10+/m1/s1;
    RALBRZJHHGWNNU-BBBLOLIVSA-N    		 C[C@H](C(=O)N[C@H](C)C(=O)O)NC(=O)CCCC[C
    @@H](C(=O)[O-])NC(=O)C[NH3+]; C[CH](NC(=
    O)[CH](C)NC(=O)CCCC[CH](NC(=O)C[NH3+])C(
    [O-])=O)C(O)=O; C[C@@H](NC(=O)[C@@H](C)N
    C(=O)CCCC[C@H](NC(=O)C[NH3+])C([O-])=O)C
    (O)=O; O=C(NC(C(=O)O)C)C(NC(=O)CCCCC(C([
    O-])=O)NC(=O)C[NH3+])C; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[NH3+]    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANYL-D-ALANINE
    39587 REY
    DB03927
    ZINC000003581164    		 1 C12 H21 N3 O6 InChI=1S/C12H21N3O6/c1-7(
    11(18)19)14-9(16)5-3-2-4-
    8(12(20)21)15-10(17)6-13/
    h7-8H,2-6,13H2,1H3,(H,14,
    16)(H,15,17)(H,18,19)(H,2
    0,21)/t7-,8+/m1/s1;
    ZMQJQOKNTYQVHO-SFYZADRCSA-N    		 CC(C(=O)O)NC(=O)CCCCC(C(=O)[O-])NC(=O)C[
    NH3+]; C[C@H](C(=O)O)NC(=O)CCCC[C@@H](C(
    =O)[O-])NC(=O)C[NH3+]; C[C@@H](NC(=O)CCC
    C[C@H](NC(=O)C[NH3+])C([O-])=O)C(O)=O; O
    =C(NC(C(=O)O)C)CCCCC(C([O-])=O)NC(=O)C[N
    H3+]; C[CH](NC(=O)CCCC[CH](NC(=O)C[NH3+]
    )C([O-])=O)C(O)=O    		 GLYCYL-L-ALPHA-AMINO-EPSILON-PIMELYL-D-ALANINE
    39588 REZ
    ZINC000058649965    		 5 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c1-6(
    9(14)15)12-8(13)5-3-2-4-7
    (11)10(16)17/h6-7H,2-5,11
    H2,1H3,(H,12,13)(H,14,15)
    (H,16,17)/t6-,7-/m1/s1;
    GMHVWLJCMCGBKZ-RNFRBKRXSA-N    		 O=C(O)C(NC(=O)CCCCC(N)C(=O)O)C; C[CH](NC
    (=O)CCCC[CH](N)C(O)=O)C(O)=O; C[C@@H](NC
    (=O)CCCC[C@@H](N)C(O)=O)C(O)=O; C[C@H](C
    (=O)O)NC(=O)CCCC[C@H](C(=O)O)N; CC(C(=O)
    O)NC(=O)CCCCC(C(=O)O)N    		 (2R)-2-AMINO-7-{[(1R)-1-CARBOXYETHYL]AMINO}-7-OXOHEPTANOIC ACID
    39589 RF0 1 C16 H17 F N4 O3 InChI=1S/C16H17FN4O3/c1-2
    3-13-6-21(5-10(7-22)24-13
    )16-14-11-3-2-9(17)4-12(1
    1)20-15(14)18-8-19-16/h2-
    4,8,10,13,22H,5-7H2,1H3,(
    H,18,19,20)/t10-,13-/m0/s
    1;
    BXWPLXGLKXAQCW-GWCFXTLKSA-N    		 CO[C@@H]1CN(C[C@H](O1)CO)c2c3c4ccc(cc4[n
    H]c3ncn2)F; CO[C@@H]1CN(C[C@@H](CO)O1)c2
    ncnc3[nH]c4cc(F)ccc4c23; CO[CH]1CN(C[CH]
    (CO)O1)c2ncnc3[nH]c4cc(F)ccc4c23; COC1CN
    (CC(CO)O1)c1ncnc2[NH]c3cc(F)ccc3c12; COC
    1CN(CC(O1)CO)c2c3c4ccc(cc4[nH]c3ncn2)F    		 [(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol
    39590 RF1
    DB08469
    ZINC000053683175    		 1 C16 H21 N3 O3 S InChI=1S/C16H21N3O3S/c1-1
    6(2,3)21-15(20)19-8-6-11(
    7-9-19)14-17-13(18-22-14)
    12-5-4-10-23-12/h4-5,10-1
    1H,6-9H2,1-3H3;
    METBQPRXNZHZMB-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)N1CCC(CC1)c2onc(n2)c3sccc3
    ; O=C(OC(C)(C)C)N3CCC(c1onc(n1)c2sccc2)C
    C3; CC(C)(C)OC(=O)N1CCC(CC1)c2nc(no2)c3c
    ccs3    		 tert-butyl 4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
    39591 RF2
    DB08470    		 1 C14 H10 F N3 InChI=1S/C14H10FN3/c15-12
    -8-6-11(7-9-12)14-16-13(1
    7-18-14)10-4-2-1-3-5-10/h
    1-9H,(H,16,17,18);
    KMGPJKOKSYGMJD-UHFFFAOYSA-N    		 Fc1ccc(cc1)c2[nH]c(nn2)c3ccccc3; Fc3ccc(
    c2nnc(c1ccccc1)n2)cc3; c1ccc(cc1)c2[nH]c
    (nn2)c3ccc(cc3)F    		 3-(4-fluorophenyl)-5-phenyl-4H-1,2,4-triazole
    39592 RF3
    CHEMBL1235660
    DB08471    		 1 C17 H17 N3 O2 S2 InChI=1S/C17H17N3O2S2/c21
    -15(11-13-3-1-9-23-13)20-
    7-5-12(6-8-20)17-18-16(19
    -22-17)14-4-2-10-24-14/h1
    -4,9-10,12H,5-8,11H2;
    SJEVDMFUHCVNPM-UHFFFAOYSA-N    		 O=C(Cc1sccc1)N2CCC(CC2)c3onc(n3)c4sccc4;
    c1cc(sc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc
    s4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4sc
    cc4    		 1-(thiophen-2-ylacetyl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine
    39593 RF4
    CHEMBL1439113
    ZINC000002051956    		 2 C19 H20 N2 O3 S InChI=1S/C19H20N2O3S/c1-1
    3-6-5-7-14(2)18(13)24-10-
    11-25-19-20-15-8-3-4-9-16
    (15)21(19)12-17(22)23/h3-
    9H,10-12H2,1-2H3,(H,22,23
    );
    ZAHFRMHMWCBLOL-UHFFFAOYSA-N    		 Cc1cccc(c1OCCSc2nc3ccccc3n2CC(=O)O)C; c1
    (c(c(ccc1)C)OCCSc2nc3c(n2CC(O)=O)cccc3)C
    ; Cc1cccc(C)c1OCCSc2nc3ccccc3n2CC(O)=O    		 (2-{[2-(2,6-dimethylphenoxy)ethyl]sulfanyl}-1H-benzimidazol-1-yl)acetic acid
    39594 RF5
    ZINC000027766760    		 8 C5 H10 F O7 P InChI=1S/C5H10FO7P/c6-3-4
    (7)2(13-5(3)8)1-12-14(9,1
    0)11/h2-5,7-8H,1H2,(H2,9,
    10,11)/t2-,3+,4-,5+/m1/s1;
    NOTDWSJIOCLYHZ-LECHCGJUSA-N    		 FC1C(O)C(OC1O)COP(=O)(O)O; O[CH]1O[CH](C
    O[P](O)(O)=O)[CH](O)[CH]1F; C(C1C(C(C(O1
    )O)F)O)OP(=O)(O)O; C([C@@H]1[C@H]([C@@H]
    ([C@H](O1)O)F)O)OP(=O)(O)O; O[C@H]1O[C@H
    ](CO[P](O)(O)=O)[C@@H](O)[C@@H]1F    		 2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinofuranose;
    Inhibitor arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form;
    2-deoxy-2-fluoro-5-O-phosphono-alpha-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-D-arabinose;
    2-deoxy-2-fluoro-5-O-phosphono-arabinose
    39595 RF6 1 C8 H13 N3 InChI=1S/C8H13N3/c1-3-6-5
    -7(4-2)11-8(9)10-6/h5H,3-
    4H2,1-2H3,(H2,9,10,11);
    WWRMBPPGHZDJNZ-UHFFFAOYSA-N    		 CCc1cc(nc(n1)N)CC; CCc1cc(CC)nc(N)n1 4,6-diethylpyrimidin-2-amine;
    4,6-bis(ethenyl)pyrimidin-2-amine (precursor);
    4,6-Divinylpyrimidin-2-amine (precursor);
    peptide staple
    39596 RF7
    ZINC000230570933    		 2 C11 H16 N O5 P InChI=1S/C11H16NO5P/c1-12
    (14)11(13)7-10(8-18(15,16
    )17)9-5-3-2-4-6-9/h2-6,10
    ,14H,7-8H2,1H3,(H2,15,16,
    17)/t10-/m0/s1;
    RGWBBKVQKPJVGW-JTQLQIEISA-N    		 CN(C(=O)C[C@@H](CP(=O)(O)O)c1ccccc1)O; C
    N(O)C(=O)C[CH](C[P](O)(O)=O)c1ccccc1; CN
    (O)C(=O)C[C@@H](C[P](O)(O)=O)c1ccccc1; C
    N(C(=O)CC(CP(=O)(O)O)c1ccccc1)O; O=P(O)(
    O)CC(c1ccccc1)CC(=O)N(O)C    		 {(2R)-4-[hydroxy(methyl)amino]-4-oxo-2-phenylbutyl}phosphonic acid
    39597 RF8
    CHEMBL4519590
    ZINC000003861298    		 1 C16 H30 O4 InChI=1S/C16H30O4/c17-15(
    18)13-11-9-7-5-3-1-2-4-6-
    8-10-12-14-16(19)20/h1-14
    H2,(H,17,18)(H,19,20);
    QQHJDPROMQRDLA-UHFFFAOYSA-N    		 C(CCCCCCCC(=O)O)CCCCCCC(=O)O; OC(=O)CCCC
    CCCCCCCCCCC(O)=O    		 hexadecanedioic acid
    39598 RF9
    DB02370
    ZINC000012501967    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-6(8
    (12)13)11-5-3-2-4-7(10)9(
    14)15/h6-7,11H,2-5,10H2,1
    H3,(H,12,13)(H,14,15)/t6-
    ,7+/m1/s1;
    XCYPSOHOIAZISD-RQJHMYQMSA-N    		 CC(C(=O)O)NCCCCC(C(=O)O)N; C[CH](NCCCC[C
    H](N)C(O)=O)C(O)=O; C[C@@H](NCCCC[C@H](N
    )C(O)=O)C(O)=O; C[C@H](C(=O)O)NCCCC[C@@H
    ](C(=O)O)N; NC(CCCCNC(C)C(O)=O)C(O)=O    		 N~6~-[(1R)-1-carboxyethyl]-L-lysine
    39599 RFA 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22-,23+,24-,25-,26+,27+
    ,28+,29-,30+,31-,32+,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-QMGQRXOWSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@H]3C[C@H](CCN3[R
    u++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=C
    C8=C9CCC=CN59)C[C@H]%10[C@H](F)[C@@H](F)
    [C@H]([C@H](F)[C@@H]%10F)[C@@H]%11[C@@H]
    (F)[C@@H](F)[C@H](N[C@H]%12C%13CC%14CC(C
    %13)CC%12C%14)[C@@H](F)[C@H]%11F; CC1=C[
    CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6CCC
    CC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[CH]
    %10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)[C
    H]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC%1
    4CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 DELTA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    39600 RFB 2 C54 H75 F8 N7 Ru InChI=1S/C34H47F8N3.C10H1
    6N2.C10H12N2.Ru/c1-14-2-4
    -43-21(6-14)22-13-15(3-5-
    44-22)12-20-25(35)27(37)2
    3(28(38)26(20)36)24-29(39
    )31(41)34(32(42)30(24)40)
    45-33-18-8-16-7-17(10-18)
    11-19(33)9-16;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    6,15-34,45H,2-5,7-13H2,1H
    3;1-8H2;1,4-5,8H,2-3,6-7H
    2;/q3*-2;+8/b;2*10-9-;/t1
    5-,16-,17+,18-,19+,20-,21
    ?,22?,23?,24-,25-,26+,27-
    ,28+,29?,30-,31?,32?,33-,
    34?;;;/m1.../s1;
    QXSHRHKMCRAIGC-DMCKNCFYSA-N    		 CC1=CC2C3CC(CCN3[Ru+2]45(N2CC1)(N6CCCCC6
    =C7N4CCCC7)N8CCC=CC8=C9N5C=CCC9)CC1C(C(C
    (C(C1F)F)C1C(C(C(C(C1F)F)NC1C2CC3CC(C2)C
    C1C3)F)F)F)F; FC4C(F)C(NC3C1CC2CC(C1)CC3
    C2)C(F)C(F)C4C5C(F)C(F)C(C(F)C5F)CC6CC8N
    (CC6)[Ru+2]%11%13(N7CCC(=CC78)C)(n9C=CCC
    c9c%10C=CCCn%10%11)n%14c(c%12n%13CCCC%12
    )CCCC%14; CC1=C[C@H]2[C@@H]3C[C@H](CCN3[
    Ru++]45(N2CC1)(N6CCCCC6=C7CCCCN47)N8CCC=
    CC8=C9CCC=CN59)C[C@@H]%10[C@@H](F)[C@H](
    F)[C@H]([C@H](F)[C@H]%10F)[C@@H]%11[C@H]
    (F)[C@@H](F)[C@@H](N[C@H]%12C%13CC%14CC(
    C%13)CC%12C%14)[C@@H](F)[C@@H]%11F; CC1=
    C[CH]2[CH]3C[CH](CCN3[Ru++]45(N2CC1)(N6C
    CCCC6=C7CCCCN47)N8CCC=CC8=C9CCC=CN59)C[C
    H]%10[CH](F)[CH](F)[CH]([CH](F)[CH]%10F)
    [CH]%11[CH](F)[CH](F)[CH](N[CH]%12C%13CC
    %14CC(C%13)CC%12C%14)[CH](F)[CH]%11F    		 LAMBDA-BIS(2,2'-BIPYRIDINE)-(5-METHYL-2-2'-BIPYRIDINE)-C2-ADAMANTANE RUTHENIUM (II)
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).