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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    39601 UNH
    ZINC000028522994    		 1 C35 H54 N6 O8 InChI=1S/C35H54N6O8/c1-6-
    13-25(30(43)34(47)37-19-2
    7(42)40-28(31(36)44)23-14
    -9-7-10-15-23)38-32(45)26
    (18-21(2)3)39-33(46)29(24
    -16-11-8-12-17-24)41-35(4
    8)49-20-22(4)5/h7,9-10,14
    -15,21-22,24-26,28-29H,6,
    8,11-13,16-20H2,1-5H3,(H2
    ,36,44)(H,37,47)(H,38,45)
    (H,39,46)(H,40,42)(H,41,4
    8)/t25-,26-,28-,29-/m0/s1;
    CSOCTFLGSKTNFD-DZXSPZCNSA-N    		 CCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]
    (NC(=O)OCC(C)C)C1CCCCC1)C(=O)C(=O)NCC(=O
    )N[C@H](C(N)=O)c2ccccc2; CCC[C@@H](C(=O)
    C(=O)NCC(=O)N[C@@H](c1ccccc1)C(=O)N)NC(=
    O)[C@H](CC(C)C)NC(=O)[C@H](C2CCCCC2)NC(=
    O)OCC(C)C; O=C(N)C(c1ccccc1)NC(=O)CNC(=O
    )C(=O)C(NC(=O)C(NC(=O)C(NC(=O)OCC(C)C)C2
    CCCCC2)CC(C)C)CCC; CCCC(C(=O)C(=O)NCC(=O
    )NC(c1ccccc1)C(=O)N)NC(=O)C(CC(C)C)NC(=O
    )C(C2CCCCC2)NC(=O)OCC(C)C; CCC[CH](NC(=O
    )[CH](CC(C)C)NC(=O)[CH](NC(=O)OCC(C)C)C1
    CCCCC1)C(=O)C(=O)NCC(=O)N[CH](C(N)=O)c2c
    cccc2    		 ({1-[1-CARBAMOYL-PHENYL-METHYL)-CARBAMOYL]-METHYL}-AMINOOXALYL)-BUTYLCARBAMOYL)-3-METHYL-BUTYLCARBAMOYL)-CYCLOHEXYL-METHYL)-CARBAMIC ACID ISOBUTYL ESTER
    39602 UNI
    ZINC000003873405    		 2 C28 H28 N2 O5 S InChI=1S/C28H28N2O5S/c29-
    17-18-10-14-22(15-11-18)3
    6(33,34)30-21-7-5-6-20(16
    -21)25(19-12-13-19)26-27(
    31)23-8-3-1-2-4-9-24(23)3
    5-28(26)32/h5-7,10-11,14-
    16,19,25,30-31H,1-4,8-9,1
    2-13H2/t25-/m0/s1;
    VCYQENLVFRTJIC-VWLOTQADSA-N    		 c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2)C#N)[C@H]
    (C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O; OC1=C(
    [CH](C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)
    C#N)c3)C(=O)OC5=C1CCCCCC5; OC1=C([C@@H](
    C2CC2)c3cccc(N[S](=O)(=O)c4ccc(cc4)C#N)c
    3)C(=O)OC5=C1CCCCCC5; N#Cc1ccc(cc1)S(=O)
    (=O)Nc2cccc(c2)C(C3=C(O)C4=C(OC3=O)CCCCC
    C4)C5CC5; c1cc(cc(c1)NS(=O)(=O)c2ccc(cc2
    )C#N)C(C3CC3)C4=C(C5=C(CCCCCC5)OC4=O)O    		 4-CYANO-N-(3-CYCLOPROPYL(5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-2-OXO-CYCLOOCTA[B]PYRAN-3-YL)METHYL)PHENYL BENZENSULFONAMIDE
    39603 UNJ
    CHEMBL1738916
    ZINC000000151407    		 1 C9 H5 Br O3 InChI=1S/C9H5BrO3/c10-6-1
    -2-7-5(3-6)4-8(13-7)9(11)
    12/h1-4H,(H,11,12);
    QKUWZCOVKRUXKX-UHFFFAOYSA-N    		 c1cc2c(cc1Br)cc(o2)C(=O)O; O=C(O)c2oc1cc
    c(Br)cc1c2; OC(=O)c1oc2ccc(Br)cc2c1    		 5-bromo-1-benzofuran-2-carboxylic acid
    39604 UNK
    CHEMBL1230782
    ZINC000000901351    		 62 C4 H9 N O2 InChI=1S/C4H9NO2/c1-2-3(5
    )4(6)7/h3H,2,5H2,1H3,(H,6
    ,7)/t3-/m0/s1;
    QWCKQJZIFLGMSD-VKHMYHEASA-N    		 CCC(C(=O)O)N; CC[C@@H](C(=O)O)N; CC[C@H]
    (N)C(O)=O; CC[CH](N)C(O)=O; O=C(O)C(N)CC    		 UNKNOWN
    39605 UNL 0 ? ;
    		 Unknown ligand
    39606 UNM
    CHEMBL1782530
    ZINC000101419217    		 1 C15 H17 Br N2 O3 InChI=1S/C15H17BrN2O3/c16
    -9-5-8-6-13(15(19)20)21-1
    4(8)12(7-9)18-11-3-1-10(1
    7)2-4-11/h5-7,10-11,18H,1
    -4,17H2,(H,19,20)/t10-,11
    +;
    BLBAWGODFTZAEY-PHIMTYICSA-N    		 c1c2cc(oc2c(cc1Br)NC3CCC(CC3)N)C(=O)O; O
    =C(O)c2oc1c(cc(Br)cc1c2)NC3CCC(N)CC3; N[
    CH]1CC[CH](CC1)Nc2cc(Br)cc3cc(oc23)C(O)=
    O; N[C@@H]1CC[C@@H](CC1)Nc2cc(Br)cc3cc(o
    c23)C(O)=O    		 7-[(cis-4-aminocyclohexyl)amino]-5-bromo-1-benzofuran-2-carboxylic acid
    39607 UNN
    CHEMBL42632
    DB03678
    ZINC000012503826    		 3 C23 H19 F2 N3 InChI=1S/C23H19F2N3/c1-15
    (22(16-8-4-2-5-9-16)17-10
    -6-3-7-11-17)28-23-18-12-
    19(24)20(25)13-21(18)26-1
    4-27-23/h2-15,22H,1H3,(H,
    26,27,28)/t15-/m0/s1;
    WVGZKPGUHOZIJQ-HNNXBMFYSA-N    		 CC(C(c1ccccc1)c2ccccc2)Nc3c4cc(c(cc4ncn3
    )F)F; Fc4cc1c(ncnc1NC(C)C(c2ccccc2)c3ccc
    cc3)cc4F; C[C@H](Nc1ncnc2cc(F)c(F)cc12)C
    (c3ccccc3)c4ccccc4; C[C@@H](C(c1ccccc1)c
    2ccccc2)Nc3c4cc(c(cc4ncn3)F)F; C[CH](Nc1
    ncnc2cc(F)c(F)cc12)C(c3ccccc3)c4ccccc4    		 (6,7-DIFLUORO-QUINAZOLIN-4-YL)-(1-METHYL-2,2-DIPHENYL-ETHYL)-AMINE
    39608 UNP
    ZINC000098209498    		 6 C9 H16 N3 O14 P3 InChI=1S/C9H16N3O14P3/c13
    -5-1-2-12(9(16)10-5)8-7(1
    5)6(14)4(25-8)3-24-29(22,
    23)26-28(20,21)11-27(17,1
    8)19/h1-2,4,6-8,14-15H,3H
    2,(H,22,23)(H,10,13,16)(H
    4,11,17,18,19,20,21)/t4-,
    6-,7-,8-/m1/s1;
    MCBVWUSULWKVON-XVFCMESISA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C
    @H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)(=O
    )O[P@](O)(=O)N[P](O)(O)=O)N2C=CC(=O)NC2=
    O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O
    )OP(=O)(NP(=O)(O)O)O)O)O; C1=CN(C(=O)NC1
    =O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](
    =O)(O)O[P@](=O)(NP(=O)(O)O)O)O)O; O=P(O)
    (O)NP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O
    )C=C1)C(O)C2O    		 5'-O-[(R)-hydroxy{[(S)-hydroxy(phosphonoamino)phosphoryl]oxy}phosphoryl]uridine
    39609 UNQ
    CHEMBL1782513
    ZINC000101419191    		 1 C19 H20 N4 O3 InChI=1S/C19H20N4O3/c20-1
    3-2-4-14(5-3-13)22-18-10-
    21-9-15(23-18)11-1-6-16-1
    2(7-11)8-17(26-16)19(24)2
    5/h1,6-10,13-14H,2-5,20H2
    ,(H,22,23)(H,24,25)/t13-,
    14-;
    SEAHTYRLTWEUCM-HDJSIYSDSA-N    		 N[CH]1CC[CH](CC1)Nc2cncc(n2)c3ccc4oc(cc4
    c3)C(O)=O; N[C@H]1CC[C@@H](CC1)Nc2cncc(n
    2)c3ccc4oc(cc4c3)C(O)=O; c1cc2c(cc1c3cnc
    c(n3)NC4CCC(CC4)N)cc(o2)C(=O)O; O=C(O)c2
    oc1ccc(cc1c2)c4nc(NC3CCC(N)CC3)cnc4    		 5-{6-[(trans-4-aminocyclohexyl)amino]pyrazin-2-yl}-1-benzofuran-2-carboxylic acid
    39610 UNR
    CHEMBL99553
    ZINC000001887267    		 1 C8 H14 N O7 P2 InChI=1S/C8H13NO7P2/c1-9-
    4-2-3-7(6-9)5-8(10,17(11,
    12)13)18(14,15)16/h2-4,6,
    10H,5H2,1H3,(H3-,11,12,13
    ,14,15,16)/p+1;
    BBNRLGQPSIXFHZ-UHFFFAOYSA-O    		 O=P(O)(O)C(O)(P(=O)(O)O)Cc1ccc[n+](c1)C;
    C[n+]1cccc(c1)CC(O)(P(=O)(O)O)P(=O)(O)O
    ; C[n+]1cccc(CC(O)([P](O)(O)=O)[P](O)(O)
    =O)c1    		 3-(2-hydroxy-2,2-diphosphonoethyl)-1-methylpyridinium
    39611 UNS
    CHEMBL3955409    		 1 C25 H20 F N3 O4 InChI=1S/C25H20FN3O4/c1-1
    5-11-22(16(2)20-12-17(14-
    27)3-5-19(15)20)33-21-6-4
    -18(26)13-23(21)32-10-9-2
    9-8-7-24(30)28-25(29)31/h
    3-8,11-13H,9-10H2,1-2H3,(
    H,28,30,31);
    JOZUOHBWIKONKE-UHFFFAOYSA-N    		 Cc1cc(c(c2c1ccc(c2)C#N)C)Oc3ccc(cc3OCCN4
    C=CC(=O)NC4=O)F; Cc1cc(Oc2ccc(F)cc2OCCN3
    C=CC(=O)NC3=O)c(C)c4cc(ccc14)C#N; c2(c1c
    (cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC
    (=O)NC3=O)F)C    		 7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
    39612 UNT
    CHEMBL594034
    ZINC000013974182    		 2 C24 H24 N4 O3 InChI=1S/C24H24N4O3/c1-17
    -21(27-23(31-17)20-7-3-2-
    4-8-20)9-5-6-18-10-12-19(
    13-11-18)16-22(24(29)30)2
    8-25-14-15-26-28/h2-4,7-8
    ,10-15,22H,5-6,9,16H2,1H3
    ,(H,29,30)/t22-/m0/s1;
    MBNINRCJDJMURD-QFIPXVFZSA-N    		 Cc1oc(nc1CCCc2ccc(C[C@H](n3nccn3)C(O)=O)
    cc2)c4ccccc4; Cc1c(nc(o1)c2ccccc2)CCCc3c
    cc(cc3)CC(C(=O)O)n4nccn4; Cc1c(nc(o1)c2c
    cccc2)CCCc3ccc(cc3)C[C@@H](C(=O)O)n4nccn
    4; Cc1oc(nc1CCCc2ccc(C[CH](n3nccn3)C(O)=
    O)cc2)c4ccccc4; O=C(O)C(n1nccn1)Cc2ccc(c
    c2)CCCc3nc(oc3C)c4ccccc4    		 (2S)-3-{4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl}-2-(2H-1,2,3-triazol-2-yl)propanoic acid
    39613 UNU
    CHEMBL267373
    ZINC000000152996    		 14 C7 H7 N O InChI=1S/C7H7NO/c8-7(9)6-
    4-2-1-3-5-6/h1-5H,(H2,8,9
    );
    KXDAEFPNCMNJSK-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)N; O=C(N)c1ccccc1; NC(=O)
    c1ccccc1    		 BENZAMIDE
    39614 UNV
    CHEMBL317313
    ZINC000026733744    		 1 C8 H11 N O6 P2 InChI=1S/C8H11NO6P2/c10-1
    6(11,12)8(17(13,14)15)4-6
    -2-1-3-9-7(6)5-8/h1-3H,4-
    5H2,(H2,10,11,12)(H2,13,1
    4,15);
    BKUBDCZNHKIXPI-UHFFFAOYSA-N    		 c1cc2c(nc1)CC(C2)(P(=O)(O)O)P(=O)(O)O; O
    [P](O)(=O)C1(Cc2cccnc2C1)[P](O)(O)=O; O=
    P(O)(O)C2(Cc1cccnc1C2)P(=O)(O)O    		 6,7-dihydro-5H-cyclopenta[b]pyridine-6,6-diylbis(phosphonic acid)
    39615 UNW
    CHEMBL4847468    		 1 C29 H30 Cl N5 O3 InChI=1S/C29H30ClN5O3/c30
    -25-15-31-29(32-23-9-12-3
    8-13-10-23)33-27(25)20-7-
    8-22-17-35(28(37)24(22)14
    -20)18-26(36)34-11-3-6-19
    -4-1-2-5-21(19)16-34/h1-2
    ,4-5,7-8,14-15,23H,3,6,9-
    13,16-18H2,(H,31,32,33);
    IGCMZDAOWJBAOH-UHFFFAOYSA-N    		 c1ccc2c(c1)CCCN(C2)C(=O)CN3Cc4ccc(cc4C3=
    O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC
    OCC2)nc1c3ccc4CN(CC(=O)N5CCCc6ccccc6C5)C
    (=O)c4c3    		 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethyl]-3~{H}-isoindol-1-one;
    ASTX029
    39616 UNX 0 X ;
    		 * UNKNOWN ATOM OR ION
    39617 UNY
    CHEMBL4548211    		 1 C21 H23 F N2 O6 S InChI=1S/C21H23FN2O6S/c1-
    21(20(26)23-27,31(3,28)29
    )8-9-24-12-14-10-13(4-6-1
    7(14)19(24)25)16-7-5-15(3
    0-2)11-18(16)22/h4-7,10-1
    1,27H,8-9,12H2,1-3H3,(H,2
    3,26)/t21-/m1/s1;
    BYDRVBMZUCDIRW-OAQYLSRUSA-N    		 C[C@@](CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)
    (C(=O)NO)S(=O)(=O)C; CC(CCN1Cc2cc(ccc2C1
    =O)c3ccc(cc3F)OC)(C(=O)NO)S(=O)(=O)C; CO
    c1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)(C(=O)
    NO)[S](C)(=O)=O)Cc3c2; COc1ccc(c(F)c1)c2
    ccc3C(=O)N(CC[C@](C)(C(=O)NO)[S](C)(=O)=
    O)Cc3c2    		 (2~{R})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
    39618 UNZ 1 C21 H23 F N2 O6 S InChI=1S/C21H23FN2O6S/c1-
    21(20(26)23-27,31(3,28)29
    )8-9-24-12-14-10-13(4-6-1
    7(14)19(24)25)16-7-5-15(3
    0-2)11-18(16)22/h4-7,10-1
    1,27H,8-9,12H2,1-3H3,(H,2
    3,26)/t21-/m0/s1;
    BYDRVBMZUCDIRW-NRFANRHFSA-N    		 CC(CCN1Cc2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=
    O)NO)S(=O)(=O)C; COc1ccc(c(F)c1)c2ccc3C(
    =O)N(CC[C@@](C)(C(=O)NO)[S](C)(=O)=O)Cc3
    c2; COc1ccc(c(F)c1)c2ccc3C(=O)N(CC[C](C)
    (C(=O)NO)[S](C)(=O)=O)Cc3c2; C[C@](CCN1C
    c2cc(ccc2C1=O)c3ccc(cc3F)OC)(C(=O)NO)S(=
    O)(=O)C    		 (2~{S})-4-[6-(2-fluoranyl-4-methoxy-phenyl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-2-methyl-2-methylsulfonyl-~{N}-oxidanyl-butanamide
    39619 UO1
    CHEMBL3810055
    ZINC000263620811    		 2 C19 H18 N2 O3 InChI=1S/C19H18N2O3/c1-12
    -8-9-15(24)10-18(12)21(14
    (3)23)19-11-20(13(2)22)17
    -7-5-4-6-16(17)19/h4-11,2
    4H,1-3H3;
    NXETYAFZIDRMKK-UHFFFAOYSA-N    		 CC(=O)n1cc(N(C(C)=O)c2cc(O)ccc2C)c3ccccc
    13; CC(=O)n1c3c(c(c1)N(c2cc(ccc2C)O)C(C)
    =O)cccc3; Cc1ccc(cc1N(c2cn(c3c2cccc3)C(=
    O)C)C(=O)C)O    		 N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide
    39620 UO2 4 C18 H21 N5 O3 S InChI=1S/C18H21N5O3S/c1-1
    1(19)18(24)20-13-7-8-16-1
    5(10-13)17(22-21-16)12-5-
    4-6-14(9-12)27(25,26)23(2
    )3/h4-11H,19H2,1-3H3,(H,2
    0,24)(H,21,22)/t11-/m0/s1;
    HKVYLIVZRUYPKC-NSHDSACASA-N    		 C[C@H](N)C(=O)Nc1ccc2n[nH]c(c3cccc(c3)[S
    ](=O)(=O)N(C)C)c2c1; C[CH](N)C(=O)Nc1ccc
    2n[nH]c(c3cccc(c3)[S](=O)(=O)N(C)C)c2c1;
    CC(C(=O)Nc1ccc2c(c1)c([nH]n2)c3cccc(c3)
    S(=O)(=O)N(C)C)N; C[C@@H](C(=O)Nc1ccc2c(
    c1)c([nH]n2)c3cccc(c3)S(=O)(=O)N(C)C)N    		 (2~{S})-2-azanyl-~{N}-[3-[3-(dimethylsulfamoyl)phenyl]-2~{H}-indazol-5-yl]propanamide
    39621 UO3 1 C15 H21 N4 O S2 InChI=1S/C15H21N4OS2/c1-2
    -3-4-5-9-22-13-17-14(20)1
    9(15(21)18-13)11-12-7-6-8
    -16-10-12/h6-8,10H,2-5,9,
    11H2,1H3,(H2,17,18,20,21);
    AAGCVGJIZNRQQT-UHFFFAOYSA-N    		 CCCCCCSC1=NC(=[N](C(=N1)S)Cc2cccnc2)O; C
    CCCCCSc1nc(O)[n](Cc2cccnc2)c(S)n1    		 4-hexylsulfanyl-1-(pyridin-3-ylmethyl)-6-sulfanyl-1$l^{4},3,5-triazacyclohexa-1,3,5-trien-2-ol
    39622 UO4
    CHEMBL3985848    		 1 C28 H25 N3 O4 InChI=1S/C28H25N3O4/c1-18
    -23-15-20(17-29)8-9-22(23
    )21(14-19-6-7-19)16-26(18
    )35-25-5-3-2-4-24(25)34-1
    3-12-31-11-10-27(32)30-28
    (31)33/h2-5,8-11,15-16,19
    H,6-7,12-14H2,1H3,(H,30,3
    2,33);
    VAFJQCGXOLTBQY-UHFFFAOYSA-N    		 Cc1c(Oc2ccccc2OCCN3C=CC(=O)NC3=O)cc(CC4C
    C4)c5ccc(cc15)C#N; Cc1c2cc(ccc2c(cc1Oc3c
    cccc3OCCN4C=CC(=O)NC4=O)CC5CC5)C#N; c1c(
    c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)O
    CCN5C=CC(NC5=O)=O    		 5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
    39623 UO5
    CHEMBL4850133    		 1 C29 H30 Cl N5 O3 InChI=1S/C29H30ClN5O3/c30
    -25-16-31-29(32-23-9-13-3
    8-14-10-23)33-27(25)21-5-
    6-22-17-35(28(37)24(22)15
    -21)18-26(36)34-11-7-19-3
    -1-2-4-20(19)8-12-34/h1-6
    ,15-16,23H,7-14,17-18H2,(
    H,31,32,33);
    CDIPSADLEIZARJ-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN(CC2)C(=O)CN3Cc4ccc(cc4C3=
    O)c5c(cnc(n5)NC6CCOCC6)Cl; Clc1cnc(NC2CC
    OCC2)nc1c3ccc4CN(CC(=O)N5CCc6ccccc6CC5)C
    (=O)c4c3    		 6-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-2-[2-oxidanylidene-2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)ethyl]-3~{H}-isoindol-1-one
    39624 UO6
    CHEMBL69234
    ZINC000100001914    		 3 C14 H14 N3 O12 P S2 InChI=1S/C14H14N3O12PS2/c
    1-7-13(19)9(5-18)10(6-29-
    30(20,21)22)14(15-7)17-16
    -11-3-2-8(31(23,24)25)4-1
    2(11)32(26,27)28/h2-5,19H
    ,6H2,1H3,(H2,20,21,22)(H,
    23,24,25)(H,26,27,28)/b17
    -16+;
    PNFZSRRRZNXSMF-WUKNDPDISA-N    		 Cc1nc(N=Nc2ccc(cc2[S](O)(=O)=O)[S](O)(=O
    )=O)c(CO[P](O)(O)=O)c(C=O)c1O; Cc1c(c(c(
    c(n1)N=Nc2ccc(cc2S(=O)(=O)O)S(=O)(=O)O)C
    OP(=O)(O)O)C=O)O; Cc1c(c(c(c(n1)/N=N/c2c
    cc(cc2S(=O)(=O)O)S(=O)(=O)O)COP(=O)(O)O)
    C=O)O    		 4-[(E)-[4-methanoyl-6-methyl-5-oxidanyl-3-(phosphonooxymethyl)pyridin-2-yl]diazenyl]benzene-1,3-disulfonic acid;
    Ppads
    39625 UO7
    CHEMBL4167017    		 1 C28 H35 N5 O5 InChI=1S/C28H35N5O5/c1-16
    (2)25-26(35)30-17(3)27(36
    )33-12-6-8-23(32-33)28(37
    )38-18(4)19-10-11-20-15-2
    9-22(14-21(20)13-19)7-5-9
    -24(34)31-25/h5,7,10-11,1
    3-18,23,25,32H,6,8-9,12H2
    ,1-4H3,(H,30,35)(H,31,34)
    /b7-5+/t17-,18+,23-,25-/m
    0/s1;
    MGYHGMOTCTUOQS-NGJNAYBBSA-N    		 CC(C)[CH]1NC(=O)CC=Cc2cc3cc(ccc3cn2)[CH]
    (C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC1=
    O; CC1c2ccc3cnc(cc3c2)C=CCC(=O)NC(C(=O)N
    C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C; CC(C)[
    C@@H]1NC(=O)C\C=C\c2cc3cc(ccc3cn2)[C@@H]
    (C)OC(=O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C
    )NC1=O; C(C)(C)C1C(=O)NC(C(=O)N4CCCC(C(=
    O)OC(c3cc2cc(C=CCC(N1)=O)ncc2cc3)C)N4)C;
    C[C@@H]1c2ccc3cnc(cc3c2)/C=C/CC(=O)N[C@
    H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C(=O)O
    1)C)C(C)C    		 (2R,5S,11S,14S,18E)-2,11-dimethyl-14-(propan-2-yl)-3-oxa-9,12,15,21,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(26),18,20,22,24,27-hexaene-4,10,13,16-tetrone
    39626 UO8
    CHEMBL1736694
    ZINC000017314824    		 2 C11 H15 N5 S InChI=1S/C11H15N5S/c12-11
    -14-9-8(10(17)15-11)13-6-
    16(9)7-4-2-1-3-5-7/h6-7H,
    1-5H2,(H3,12,14,15,17);
    PKVXHQDYPCXSAD-UHFFFAOYSA-N    		 NC1=NC(=S)c2ncn(C3CCCCC3)c2N1; c1nc2c(n1
    C3CCCCC3)NC(=NC2=S)N    		 2-azanyl-9-cyclohexyl-3~{H}-purine-6-thione
    39627 UO9 4 C24 H37 N3 O9 S2 InChI=1S/C24H37N3O9S2/c1-
    15(2)12-18(27-23(31)36-14
    -24(3,4)37(32)17-8-6-5-7-
    9-17)21(29)26-19(22(30)38
    (33,34)35)13-16-10-11-25-
    20(16)28/h5-9,15-16,18-19
    ,22,30H,10-14H2,1-4H3,(H,
    25,28)(H,26,29)(H,27,31)(
    H,33,34,35)/t16-,18-,19-,
    22+,37-/m0/s1;
    SNFBJKJTJOFDKW-NRANLDPGSA-N    		 CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=
    O)[C@H](O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O
    )c2ccccc2; CC(C)C[CH](NC(=O)OCC(C)(C)[S]
    (=O)c1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)[C
    H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CC
    NC1=O)C(O)S(=O)(=O)O)NC(=O)OCC(C)(C)S(=O
    )c2ccccc2; CC(C)C[C@H](NC(=O)OCC(C)(C)[S
    @@](=O)c1ccccc1)C(=O)N[C@@H](C[C@@H]2CCN
    C2=O)[C@H](O)[S](O)(=O)=O; CC(C)CC(NC(=O
    )OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1
    =O)C(O)S(=O)(=O)O    		 (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid
    39628 UOA 0 C11 H17 N2 O10 P InChI=1S/C11H17N2O10P/c1-
    20-7-8(15)11(21-2,5-22-24
    (17,18)19)23-9(7)13-4-3-6
    (14)12-10(13)16/h3-4,7-9,
    15H,5H2,1-2H3,(H,12,14,16
    )(H2,17,18,19)/t7-,8+,9-,
    11-/m1/s1;
    PQPFDVLUCHRYPP-PKIKSRDPSA-N    		 CO[C@@H]1[C@@H]([C@](O[C@H]1N2C=CC(=O)NC
    2=O)(COP(=O)(O)O)OC)O; COC1C(OC(C1O)(OC)
    COP(O)(=O)O)N2C(NC(=O)C=C2)=O; CO[C@@H]1
    [C@H](O)[C@](CO[P](O)(O)=O)(OC)O[C@H]1N2
    C=CC(=O)NC2=O; COC1C(C(OC1N2C=CC(=O)NC2=
    O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[C](C
    O[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2=O    		 [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3-hydroxy-2,4-dimethoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name)
    39629 UOB 0 C11 H17 N2 O10 P InChI=1S/C11H17N2O10P/c1-
    20-7-8(15)11(21-2,5-22-24
    (17,18)19)23-9(7)13-4-3-6
    (14)12-10(13)16/h3-4,7-9,
    15H,5H2,1-2H3,(H,12,14,16
    )(H2,17,18,19)/t7-,8+,9-,
    11+/m1/s1;
    PQPFDVLUCHRYPP-LOKLDPHHSA-N    		 CO[C@@H]1[C@H](O)[C@@](CO[P](O)(O)=O)(OC
    )O[C@H]1N2C=CC(=O)NC2=O; C1(OC(C(C1OC)O)
    (COP(O)(=O)O)OC)N2C(NC(C=C2)=O)=O; COC1C
    (C(OC1N2C=CC(=O)NC2=O)(COP(=O)(O)O)OC)O;
    CO[C@@H]1[C@@H]([C@@](O[C@H]1N2C=CC(=O)
    NC2=O)(COP(=O)(O)O)OC)O; CO[CH]1[CH](O)[
    C](CO[P](O)(O)=O)(OC)O[CH]1N2C=CC(=O)NC2
    =O    		 2'-OMe,4'beta-OMe uridine 5'-(dihydrogen phosphate)
    39630 UOC
    CHEMBL1236582
    DB08688
    ZINC000001529305    		 8 C11 H22 O InChI=1S/C11H22O/c1-3-4-5
    -6-7-8-9-10-11(2)12/h3-10
    H2,1-2H3;
    KYWIYKKSMDLRDC-UHFFFAOYSA-N    		 O=C(CCCCCCCCC)C; CCCCCCCCCC(=O)C; CCCCCC
    CCCC(C)=O    		 undecan-2-one
    39631 UOD
    CHEMBL4168950    		 1 C30 H39 N5 O5 InChI=1S/C30H39N5O5/c1-17
    (2)25-26(36)31-18(3)27(37
    )35-15-7-8-23(34-35)28(38
    )40-19(4)22-12-11-21-10-9
    -20(16-24(21)32-22)13-14-
    30(5,6)29(39)33-25/h9-14,
    16-19,23,25,34H,7-8,15H2,
    1-6H3,(H,31,36)(H,33,39)/
    b14-13+/t18-,19+,23-,25-/
    m0/s1;
    XCZDYKRNHKYRTQ-HQHUNAKVSA-N    		 CC(C)[CH]1NC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c
    2)[CH](C)OC(=O)[CH]4CCC[N](N4)C(=O)[CH](
    C)NC1=O; CC(C)[C@@H]1NC(=O)C(C)(C)\C=C\c
    2ccc3ccc(nc3c2)[C@@H](C)OC(=O)[C@@H]4CCC
    [N@@](N4)C(=O)[C@H](C)NC1=O; C[C@@H]1c2c
    cc3ccc(cc3n2)/C=C/C(C(=O)N[C@H](C(=O)N[C
    @H](C(=O)N4CCC[C@H](N4)C(=O)O1)C)C(C)C)(
    C)C; c1cc2nc4c1ccc(C=CC(C(=O)NC(C(NC(C(N
    3CCCC(C(OC2C)=O)N3)=O)C)=O)C(C)C)(C)C)c4
    ; CC1c2ccc3ccc(cc3n2)C=CC(C(=O)NC(C(=O)N
    C(C(=O)N4CCCC(N4)C(=O)O1)C)C(C)C)(C)C    		 (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-3-oxa-9,12,15,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    39632 UOE
    CHEMBL4856124    		 1 C32 H39 Cl N8 O4 InChI=1S/C32H39ClN8O4/c1-
    20(30(43)37-27(19-42)26-4
    -3-5-28(36-26)40-12-10-39
    (2)11-13-40)41-18-22-7-6-
    21(16-24(22)31(41)44)29-2
    5(33)17-34-32(38-29)35-23
    -8-14-45-15-9-23/h3-7,16-
    17,20,23,27,42H,8-15,18-1
    9H2,1-2H3,(H,37,43)(H,34,
    35,38)/t20-,27-/m1/s1;
    FOWKCJGRLFZWNL-NFQMXDRXSA-N    		 CC(C(=O)NC(CO)c1cccc(n1)N2CCN(CC2)C)N3Cc
    4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC6)Cl; C[
    CH](N1Cc2ccc(cc2C1=O)c3nc(NC4CCOCC4)ncc3
    Cl)C(=O)N[CH](CO)c5cccc(n5)N6CCN(C)CC6;
    C[C@H](C(=O)N[C@H](CO)c1cccc(n1)N2CCN(CC
    2)C)N3Cc4ccc(cc4C3=O)c5c(cnc(n5)NC6CCOCC
    6)Cl; C[C@@H](N1Cc2ccc(cc2C1=O)c3nc(NC4C
    COCC4)ncc3Cl)C(=O)N[C@H](CO)c5cccc(n5)N6
    CCN(C)CC6    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-2-oxidanyl-ethyl]propanamide
    39633 UOF 2 C18 H16 Cl2 N2 O3 InChI=1S/C18H16Cl2N2O3/c1
    9-12-9-13(20)16(11-5-2-1-
    3-6-11)14(10-12)21-18(25)
    22-8-4-7-15(22)17(23)24/h
    1-3,5-6,9-10,15H,4,7-8H2,
    (H,21,25)(H,23,24)/t15-/m
    1/s1;
    WDPIFBOVEHBEDQ-OAHLLOKOSA-N    		 c1ccc(cc1)c2c(cc(cc2Cl)Cl)NC(=O)N3CCC[C@
    @H]3C(=O)O; OC(=O)C1CCCN1C(=O)Nc1cc(Cl)c
    c(Cl)c1c1ccccc1; OC(=O)[C@H]1CCCN1C(=O)N
    c2cc(Cl)cc(Cl)c2c3ccccc3; c1ccc(cc1)c2c(
    cc(cc2Cl)Cl)NC(=O)N3CCCC3C(=O)O; OC(=O)[
    CH]1CCCN1C(=O)Nc2cc(Cl)cc(Cl)c2c3ccccc3    		 1-[(4,6-dichloro[1,1'-biphenyl]-2-yl)carbamoyl]-D-proline
    39634 UOG
    CHEMBL4173004    		 1 C30 H39 N5 O5 InChI=1S/C30H39N5O5/c1-17
    (2)25-27(37)32-19(4)28(38
    )35-15-7-8-23(34-35)26(36
    )31-18(3)22-12-11-21-10-9
    -20(16-24(21)33-22)13-14-
    30(5,6)29(39)40-25/h9-14,
    16-19,23,25,34H,7-8,15H2,
    1-6H3,(H,31,36)(H,32,37)/
    b14-13+/t18-,19+,23+,25+/
    m1/s1;
    YVBYTKCYPFMUBG-FFZLYJDLSA-N    		 C1(NC(C)c4ccc3c(cc(C=CC(C(=O)OC(C(NC(C(N
    2CCCC1N2)=O)C)=O)C(C)C)(C)C)cc3)n4)=O; C
    C1c2ccc3ccc(cc3n2)C=CC(C(=O)OC(C(=O)NC(C
    (=O)N4CCCC(N4)C(=O)N1)C)C(C)C)(C)C; CC(C
    )[CH]1OC(=O)C(C)(C)C=Cc2ccc3ccc(nc3c2)[C
    H](C)NC(=O)[CH]4CCC[N](N4)C(=O)[CH](C)NC
    1=O; C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C(C(=O
    )O[C@H](C(=O)N[C@H](C(=O)N4CCC[C@H](N4)C
    (=O)N1)C)C(C)C)(C)C; CC(C)[C@@H]1OC(=O)C
    (C)(C)\C=C\c2ccc3ccc(nc3c2)[C@@H](C)NC(=
    O)[C@@H]4CCC[N@@](N4)C(=O)[C@H](C)NC1=O    		 (2R,5S,11S,14S,18E)-2,11,17,17-tetramethyl-14-(propan-2-yl)-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    39635 UOH
    CHEMBL4869800    		 1 C27 H26 Cl F N8 O4 InChI=1S/C27H26ClFN8O4/c1
    -14(25(39)32-22(13-38)17-
    6-18(29)9-19(7-17)41-3)37
    -12-16-5-4-15(8-20(16)26(
    37)40)24-21(28)10-30-27(3
    4-24)33-23-11-31-36(2)35-
    23/h4-11,14,22,38H,12-13H
    2,1-3H3,(H,32,39)(H,30,33
    ,34,35)/t14-,22-/m1/s1;
    VXELOHCKXQHQRO-JLCFBVMHSA-N    		 COc1cc(F)cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc
    3ccc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl; CC
    (C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(cc3
    C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; C[C@H](C
    (=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2Cc3ccc(c
    c3C2=O)c4c(cnc(n4)Nc5cnn(n5)C)Cl; COc1cc
    (F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c
    cc(cc3C2=O)c4nc(Nc5cnn(C)n5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-[(2-methyl-1,2,3-triazol-4-yl)amino]pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide
    39636 UOI
    ZINC000028576465    		 1 C10 H9 N3 O2 InChI=1S/C10H9N3O2/c1-7-6
    -9(15-13-7)10(14)12-8-2-4
    -11-5-3-8/h2-6H,1H3,(H,11
    ,12,14);
    HPNYMQLDUOKPSU-UHFFFAOYSA-N    		 Cc1cc(on1)C(=O)Nc2ccncc2; Cc2cc(C(Nc1ccn
    cc1)=O)on2    		 3-methyl-N-(pyridin-4-yl)-1,2-oxazole-5-carboxamide
    39637 UOJ 1 C31 H39 N5 O5 InChI=1S/C31H39N5O5/c1-18
    -23-13-12-21-11-10-20(17-
    25(21)34-23)14-15-31(3,4)
    30(40)41-26(22-7-5-8-22)2
    8(38)33-19(2)29(39)36-16-
    6-9-24(35-36)27(37)32-18/
    h10-15,17-19,22,24,26,35H
    ,5-9,16H2,1-4H3,(H,32,37)
    (H,33,38)/b15-14+/t18-,19
    +,24+,26+/m1/s1;
    KKULOCXHXDLVMI-GUQAJDTPSA-N    		 C[C@@H]1NC(=O)[C@@H](OC(=O)C(C)(C)\C=C\c
    2ccc3ccc(nc3c2)[C@@H](C)NC(=O)[C@@H]4CCC
    [N@](N4)C1=O)C5CCC5; C5(C1C(NC(C(N4CCCC(
    C(NC(c3ccc2c(cc(C=CC(C(=O)O1)(C)C)cc2)n3
    )C)=O)N4)=O)C)=O)CCC5; CC1c2ccc3ccc(cc3n
    2)C=CC(C(=O)OC(C(=O)NC(C(=O)N4CCCC(N4)C(
    =O)N1)C)C5CCC5)(C)C; C[C@@H]1c2ccc3ccc(c
    c3n2)/C=C/C(C(=O)O[C@H](C(=O)N[C@H](C(=O
    )N4CCC[C@H](N4)C(=O)N1)C)C5CCC5)(C)C; C[
    CH]1NC(=O)[CH](OC(=O)C(C)(C)C=Cc2ccc3ccc
    (nc3c2)[CH](C)NC(=O)[CH]4CCC[N](N4)C1=O)
    C5CCC5    		 (2R,5S,11S,14S,18E)-14-cyclobutyl-2,11,17,17-tetramethyl-15-oxa-3,9,12,26,29-pentaazatetracyclo[18.5.3.1~5,9~.0~23,27~]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone
    39638 UOK
    CHEMBL2377609
    ZINC000002389515    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c1-14-
    9-2-3-11-10(6-9)8(4-5-12)
    7-13-11/h2-3,6-7,13H,4H2,
    1H3;
    ZBQCXEREMRGOCO-UHFFFAOYSA-N    		 COc1ccc2c(c1)c(c[nH]2)CC#N; COc1ccc2[nH]
    cc(CC#N)c2c1    		 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile
    39639 UOM
    CHEMBL5078248    		 1 C21 H24 N4 O InChI=1S/C21H24N4O/c1-16(
    2)19-6-3-17(4-7-19)13-21(
    26)25-11-9-24(10-12-25)20
    -8-5-18(14-22)15-23-20/h3
    -8,15-16H,9-13H2,1-2H3;
    KJRSRHAWEMYUSP-UHFFFAOYSA-N    		 CC(C)c1ccc(CC(=O)N2CCN(CC2)c3ccc(cn3)C#N
    )cc1; CC(C)c1ccc(cc1)CC(=O)N3CCN(c2ccc(c
    n2)C#N)CC3; CC(C)c1ccc(cc1)CC(=O)N2CCN(C
    C2)c3ccc(cn3)C#N    		 6-(4-{[4-(propan-2-yl)phenyl]acetyl}piperazin-1-yl)pyridine-3-carbonitrile
    39640 UON 1 C15 H11 Cl N2 O2 InChI=1S/C15H11ClN2O2/c1-
    20-12-6-7-14-13(8-12)17-1
    5(16)18(14)11-4-2-10(9-19
    )3-5-11/h2-9H,1H3;
    RGYSXOYXQMSTHS-UHFFFAOYSA-N    		 COc1ccc2c(c1)nc(n2c3ccc(cc3)C=O)Cl; COc1
    ccc2n(c(Cl)nc2c1)c3ccc(C=O)cc3    		 4-(2-chloranyl-5-methoxy-benzimidazol-1-yl)benzaldehyde
    39641 UOO 8 C15 H24 Br N5 O14 P2 InChI=1S/C15H24BrN5O14P2/
    c16-15-20-7-11(17)18-4-19
    -12(7)21(15)13(26)8(23)5(
    22)1-2-32-36(28,29)35-37(
    30,31)33-3-6-9(24)10(25)1
    4(27)34-6/h4-6,8-10,13-14
    ,22-27H,1-3H2,(H,28,29)(H
    ,30,31)(H2,17,18,19)/t5-,
    6+,8-,9-,10+,13-,14-/m1/s
    1;
    YLKLFNYZVXTMJI-XDPXHJCRSA-N    		 c1nc(c2c(n1)n(c(n2)Br)[C@@H]([C@@H]([C@@
    H](CCOP(=O)(O)OP(=O)(O)OC[C@H]3[C@H]([C@
    @H]([C@@H](O3)O)O)O)O)O)O)N; OC1C(COP(=O
    )(O)OP(=O)(O)OCCC(O)C(O)C(O)n2c3ncnc(N)c
    3nc2Br)OC(O)C1O; c1nc(c2c(n1)n(c(n2)Br)C
    (C(C(CCOP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)O)
    O)O)O)O)O)N; Nc1ncnc2n([C@H](O)[C@H](O)[
    C@H](O)CCO[P](O)(=O)O[P](O)(=O)OC[C@@H]3
    O[C@@H](O)[C@@H](O)[C@@H]3O)c(Br)nc12; N
    c1ncnc2n([CH](O)[CH](O)[CH](O)CCO[P](O)(
    =O)O[P](O)(=O)OC[CH]3O[CH](O)[CH](O)[CH]
    3O)c(Br)nc12    		 (3R,4R,5R)-5-(6-amino-8-bromo-9H-purin-9-yl)-3,4,5-trihydroxypentyl [(2S,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    39642 UOP 1 C19 H20 N6 O InChI=1S/C19H20N6O/c1-14(
    2)15-3-5-16(6-4-15)21-19(
    26)25-11-9-24(10-12-25)18
    -8-7-17(13-20)22-23-18/h3
    -9,11,14H,10,12H2,1-2H3,(
    H,21,26);
    UFOIVYYYFHTAEA-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1)NC(=O)N3C=CN(c2ccc(nn2)C#
    N)CC3; CC(C)c1ccc(NC(=O)N2CCN(C=C2)c3ccc
    (nn3)C#N)cc1; CC(C)c1ccc(cc1)NC(=O)N2CCN
    (C=C2)c3ccc(nn3)C#N    		 4-(6-cyanopyridazin-3-yl)-N-[4-(propan-2-yl)phenyl]-3,4-dihydropyrazine-1(2H)-carboxamide
    39643 UOQ
    ZINC000263620631    		 34 C32 H56 N7 O17 P3 S InChI=1S/C32H56N7O17P3S/c
    1-4-5-6-7-8-9-10-11-21(40
    )17-60-15-14-34-23(41)12-
    13-35-30(44)27(43)32(2,3)
    18-53-59(50,51)56-58(48,4
    9)52-16-22-26(55-57(45,46
    )47)25(42)31(54-22)39-20-
    38-24-28(33)36-19-37-29(2
    4)39/h19-20,22,25-27,31,4
    2-43H,4-18H2,1-3H3,(H,34,
    41)(H,35,44)(H,48,49)(H,5
    0,51)(H2,33,36,37)(H2,45,
    46,47)/t22-,25+,26+,27+,3
    1+/m1/s1;
    JYQFMIDTWJSOBJ-BDQXTIGLSA-N    		 CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[C@@H](C
    (C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@@H
    ]1[C@@H]([C@@H]([C@H](O1)n2cnc3c2ncnc3N)
    O)OP(=O)(O)O)O; CCCCCCCCCC(=O)CSCCNC(=O)
    CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1
    C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O;
    CCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C
    (C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23; O=C(CCCCCCCCC)CSCCNC(=O)CCNC(=O)C(O
    )C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1
    c(ncnc12)N)C(O)C3OP(=O)(O)O; CCCCCCCCCC(
    =O)CSCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P
    ](O)(=O)O[P](O)(=O)OC[C@H]1O[C@@H]([C@@H
    ](O)[C@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 undeca-2-one coenzyme A
    39644 UOR
    CHEMBL405828
    ZINC000000253709    		 1 C11 H8 Cl N O2 InChI=1S/C11H8ClNO2/c12-1
    0-4-3-8(7-9(10)11(14)15)1
    3-5-1-2-6-13/h1-7H,(H,14,
    15);
    HPAOLHCBQKYITR-UHFFFAOYSA-N    		 c1ccn(c1)c2ccc(c(c2)C(=O)O)Cl; OC(=O)c1c
    c(ccc1Cl)n2cccc2; O=C(O)c1cc(ccc1Cl)n1cc
    cc1    		 2-chloro-5-(1H-pyrrol-1-yl)benzoic acid
    39645 UOS
    CHEMBL5094733    		 1 C19 H23 Cl N4 O InChI=1S/C19H23ClN4O/c1-1
    4(2)16-5-3-15(4-6-16)11-1
    9(25)24-9-7-23(8-10-24)18
    -13-21-17(20)12-22-18/h3-
    6,12-14H,7-11H2,1-2H3;
    ZABUHCOUTMKPGC-UHFFFAOYSA-N    		 c1(cnc(cn1)N3CCN(C(Cc2ccc(cc2)C(C)C)=O)C
    C3)Cl; CC(C)c1ccc(cc1)CC(=O)N2CCN(CC2)c3
    cnc(cn3)Cl; CC(C)c1ccc(CC(=O)N2CCN(CC2)c
    3cnc(Cl)cn3)cc1    		 1-[4-(5-chloropyrazin-2-yl)piperazin-1-yl]-2-[4-(propan-2-yl)phenyl]ethan-1-one
    39646 UOT 1 C15 H11 Cl N2 O2 InChI=1S/C15H11ClN2O2/c1-
    20-12-6-7-13-14(8-12)18(1
    5(16)17-13)11-4-2-10(9-19
    )3-5-11/h2-9H,1H3;
    RILHAONIURTARS-UHFFFAOYSA-N    		 COc1ccc2c(c1)n(c(n2)Cl)c3ccc(cc3)C=O; CO
    c1ccc2nc(Cl)n(c3ccc(C=O)cc3)c2c1    		 4-(2-chloranyl-6-methoxy-benzimidazol-1-yl)benzaldehyde
    39647 UOU 1 C22 H22 Cl N O2 InChI=1S/C22H22ClNO2/c1-2
    4-14-17-8-12-21(13-9-17)2
    5-16-19-4-2-3-5-22(19)26-
    15-18-6-10-20(23)11-7-18/
    h2-13,24H,14-16H2,1H3;
    FBMMJKKOOVCCQD-UHFFFAOYSA-N    		 CNCc1ccc(cc1)OCc2ccccc2OCc3ccc(cc3)Cl; C
    NCc1ccc(OCc2ccccc2OCc3ccc(Cl)cc3)cc1    		 1-[4-[[2-[(4-chlorophenyl)methoxy]phenyl]methoxy]phenyl]-N-methyl-methanamine
    39648 UOV
    ZINC000097681845    		 9 C21 H24 N2 O2 InChI=1S/C21H24N2O2/c1-16
    -2-4-17(5-3-16)18-6-8-19(
    9-7-18)22-20(24)23-13-10-
    21(11-14-23)12-15-25-21/h
    2-9H,10-15H2,1H3,(H,22,24
    );
    WYXWIBFERBQYBG-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2ccc(NC(=O)N3CCC4(CCO4)CC3)c
    c2; C1N(CCC2(C1)CCO2)C(=O)Nc4ccc(c3ccc(C
    )cc3)cc4; Cc1ccc(cc1)c2ccc(cc2)NC(=O)N3C
    CC4(CC3)CCO4    		 N-(4'-methyl[1,1'-biphenyl]-4-yl)-1-oxa-7-azaspiro[3.5]nonane-7-carboxamide
    39649 UOW
    CHEMBL4866448    		 1 C28 H31 Cl N6 O5 InChI=1S/C28H31ClN6O5/c1-
    16(26(37)33-23(15-36)17-5
    -8-30-24(12-17)39-2)35-14
    -19-4-3-18(11-21(19)27(35
    )38)25-22(29)13-31-28(34-
    25)32-20-6-9-40-10-7-20/h
    3-5,8,11-13,16,20,23,36H,
    6-7,9-10,14-15H2,1-2H3,(H
    ,33,37)(H,31,32,34)/t16-,
    23-/m1/s1;
    ZLOVQLWPDDOBBX-WAIKUNEKSA-N    		 C[C@H](C(=O)N[C@H](CO)c1ccnc(c1)OC)N2Cc3
    ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl; COc
    1cc(ccn1)[C@@H](CO)NC(=O)[C@@H](C)N2Cc3c
    cc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl; CC(C(=
    O)NC(CO)c1ccnc(c1)OC)N2Cc3ccc(cc3C2=O)c4
    c(cnc(n4)NC5CCOCC5)Cl; COc1cc(ccn1)[CH](
    CO)NC(=O)[CH](C)N2Cc3ccc(cc3C2=O)c4nc(NC
    5CCOCC5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(2-methoxypyridin-4-yl)-2-oxidanyl-ethyl]propanamide
    39650 UOX 0 C3 H6 N O3 Se InChI=1S/C3H6NO3Se/c4-2(1
    -8-7)3(5)6/h2H,1,4H2,(H,5
    ,6)/q-1/t2-/m0/s1;
    IYJUXUMKLGMZHJ-REOHCLBHSA-N    		 O=C(O)C(N)C[SeH]=O; C(C(C(=O)O)N)[Se-]=O
    ; C([C@@H](C(=O)O)N)[Se-]=O; N[C@@H](C[S
    e-]=O)C(O)=O; N[CH](C[Se-]=O)C(O)=O    		 3-(oxido-lambda~4~-selanyl)-L-alanine
    39651 UOY
    CHEMBL4751985    		 1 C19 H22 N2 O4 InChI=1S/C19H22N2O4/c1-19
    (2,3)11-15(18(23)24)21-17
    (22)13-9-10-16(20-12-13)2
    5-14-7-5-4-6-8-14/h4-10,1
    2,15H,11H2,1-3H3,(H,21,22
    )(H,23,24)/t15-/m0/s1;
    DASSWHWKVPKLEB-HNNXBMFYSA-N    		 CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccc
    cc2; CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(
    nc1)Oc2ccccc2; C(=O)(c1cnc(cc1)Oc2ccccc2
    )NC(C(=O)O)CC(C)(C)C; CC(C)(C)C[CH](NC(=
    O)c1ccc(Oc2ccccc2)nc1)C(O)=O; CC(C)(C)C[
    C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O    		 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
    39652 UOZ 8 C21 H27 N5 O13 P2 InChI=1S/C21H27N5O13P2/c2
    2-18-15-20(24-9-23-18)26(
    19(25-15)10-4-2-1-3-5-10)
    14-6-11(27)12(37-14)7-35-
    40(31,32)39-41(33,34)36-8
    -13-16(28)17(29)21(30)38-
    13/h1-5,9,11-14,16-17,21,
    27-30H,6-8H2,(H,31,32)(H,
    33,34)(H2,22,23,24)/t11-,
    12+,13+,14+,16+,17-,21+/m
    0/s1;
    HDAKJMFIHMDGRC-SXAIUVOJSA-N    		 Nc1ncnc2n([CH]3C[CH](O)[CH](CO[P](O)(=O)
    O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)
    O3)c(nc12)c5ccccc5; c1ccc(cc1)c2nc3c(ncn
    c3n2[C@H]4C[C@@H]([C@H](O4)COP(=O)(O)OP(
    =O)(O)OC[C@@H]5[C@H]([C@@H]([C@@H](O5)O)
    O)O)O)N; c1ccc(cc1)c2nc3c(ncnc3n2C4CC(C(
    O4)COP(=O)(O)OP(=O)(O)OCC5C(C(C(O5)O)O)O
    )O)N; Nc1ncnc2n([C@H]3C[C@H](O)[C@@H](CO
    [P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O)[
    C@@H](O)[C@@H]4O)O3)c(nc12)c5ccccc5; OC1
    C(COP(=O)(O)OP(=O)(O)OCC2OC(CC2O)n2c3ncn
    c(N)c3nc2c2ccccc2)OC(O)C1O    		 [(2R,3S,5R)-5-(6-amino-8-phenyl-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl [(2R,3S,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name)
    39653 UP0 1 C16 H22 O7 InChI=1S/C16H22O7/c1-3-5-
    9-13(16(22)23)10(15(20)21
    )6-8(4-2)11(17)7-12(18)14
    (9)19/h4,9,11,14,17,19H,3
    ,5-7H2,1-2H3,(H,20,21)(H,
    22,23)/b8-4-,13-10-/t9-,1
    1+,14+/m1/s1;
    YFQGJJCDYCWLSI-KRKAZGBPSA-N    		 CCC[C@H]/1[C@H](O)C(=O)C[C@H](O)\C(CC(=C
    /1C(O)=O)/C(O)=O)=C/C; CCCC1C(C(=O)CC(C(
    =CC)CC(=C1C(=O)O)C(=O)O)O)O; CCC[C@H]/1[
    C@@H](C(=O)C[C@@H](/C(=C\C)/C/C(=C1/C(=O
    )O)/C(=O)O)O)O; CCC[CH]1[CH](O)C(=O)C[CH
    ](O)C(CC(=C1C(O)=O)C(O)=O)=CC    		 (1~{Z},3~{R},4~{S},7~{S},8~{Z})-8-ethylidene-4,7-bis(oxidanyl)-5-oxidanylidene-3-propyl-cyclononene-1,2-dicarboxylic acid
    39654 UP1
    ZINC000098209499    		 0 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-11(23)9(21)5(3-19)32
    -14(8)33-36(28,29)34-35(2
    6,27)30-4-6-10(22)12(24)1
    3(31-6)18-2-1-7(20)17-15(
    18)25/h1-2,5-6,8-14,19,21
    -24H,3-4H2,(H,26,27)(H,28
    ,29)(H,17,20,25)/t5-,6-,8
    +,9+,10+,11+,12-,13-,14-/
    m1/s1;
    NGTCPFGWXMBZEP-ASADWNOXSA-N    		 OC[C@H]1O[C@H](O[P@](O)(=O)O[P@](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@H]2O)N3C=CC(=O)
    NC3=O)[C@@H](F)[C@H](O)[C@H]1O; O=P(OC1O
    C(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=
    CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O)C2
    C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(O
    3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H]2[
    C@@H]([C@H](C(O2)CO[P@](=O)(O)O[P@](=O)(
    O)O[C@@H]3[C@H]([C@@H]([C@H]([C@H](O3)CO
    )O)O)F)O)O; OC[CH]1O[CH](O[P](O)(=O)O[P]
    (O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC
    (=O)NC3=O)[CH](F)[CH](O)[CH]1O    		 URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE
    39655 UP2
    ZINC000085545850    		 1 C40 H44 N4 O16 InChI=1S/C40H44N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-27-19(3-7-35(49)5
    0)22(10-38(55)56)30(43-27
    )15-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)16-
    31-23(11-39(57)58)18(2-6-
    34(47)48)26(42-31)13-25(1
    7)41-29/h41-44H,1-16H2,(H
    ,45,46)(H,47,48)(H,49,50)
    (H,51,52)(H,53,54)(H,55,5
    6)(H,57,58)(H,59,60);
    HUHWZXWWOFSFKF-UHFFFAOYSA-N    		 OC(=O)CCc1c2Cc3[nH]c(Cc4[nH]c(Cc5[nH]c(C
    c([nH]2)c1CC(O)=O)c(CCC(O)=O)c5CC(O)=O)c
    (CCC(O)=O)c4CC(O)=O)c(CC(O)=O)c3CCC(O)=O
    ; O=C(O)Cc1c(c5nc1Cc2nc(c(c2CCC(=O)O)CC(
    =O)O)Cc3c(c(c(n3)Cc4c(c(c(n4)C5)CC(=O)O)
    CCC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O; C1c2
    c(c(c([nH]2)Cc3c(c(c([nH]3)Cc4c(c(c([nH]
    4)Cc5c(c(c1[nH]5)CCC(=O)O)CC(=O)O)CC(=O)
    O)CCC(=O)O)CC(=O)O)CCC(=O)O)CC(=O)O)CCC(
    =O)O    		 UROPORPHYRINOGEN III
    39656 UP3 3 C40 H38 N4 O16 InChI=1S/C40H38N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-27-19(3-7-35(49)5
    0)22(10-38(55)56)30(43-27
    )15-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)16-
    31-23(11-39(57)58)18(2-6-
    34(47)48)26(42-31)13-25(1
    7)41-29/h13-16,41,44H,1-1
    2H2,(H,45,46)(H,47,48)(H,
    49,50)(H,51,52)(H,53,54)(
    H,55,56)(H,57,58)(H,59,60
    )/b25-13?,26-13-,27-14-,2
    8-15?,29-14-,30-15-,31-16
    -,32-16-;
    VZVFNUAIRVUCEW-XFMUOGEMSA-N    		 c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5
    nc1C(=C5CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)
    O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
    ; O=C(O)CC1=C(c3nc1cc5nc(cc2nc(C(=C2CC(=
    O)O)CCC(=O)O)cc4c(c(c(c3)n4)CC(=O)O)CCC(
    =O)O)c(c5CCC(=O)O)CC(=O)O)CCC(=O)O; OC(=
    O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc(c2)c(
    CCC(O)=O)c5CC(O)=O)c(CC(O)=O)c4CCC(O)=O)
    c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O    		 3,3',3'',3'''-[3,8,13,17-tetrakis(carboxymethyl)porphyrin-2,7,12,18-tetrayl]tetrapropanoic acid
    39657 UP4
    CHEMBL4741088    		 1 C15 H19 Cl2 N O3 InChI=1S/C15H19Cl2NO3/c1-
    15(2,3)5-4-12(14(20)21)18
    -13(19)9-6-10(16)8-11(17)
    7-9/h6-8,12H,4-5H2,1-3H3,
    (H,18,19)(H,20,21)/t12-/m
    0/s1;
    GTMNLKRWZVHZAV-LBPRGKRZSA-N    		 C(NC(c1cc(Cl)cc(Cl)c1)=O)(C(=O)O)CCC(C)(
    C)C; CC(C)(C)CC[CH](NC(=O)c1cc(Cl)cc(Cl)
    c1)C(O)=O; CC(C)(C)CC[C@H](NC(=O)c1cc(Cl
    )cc(Cl)c1)C(O)=O; CC(C)(C)CC[C@@H](C(=O)
    O)NC(=O)c1cc(cc(c1)Cl)Cl; CC(C)(C)CCC(C(
    =O)O)NC(=O)c1cc(cc(c1)Cl)Cl    		 N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine
    39658 UP5
    DB03664
    ZINC000263620318    		 1 C19 H28 N7 O24 P5 InChI=1S/C19H28N7O24P5/c2
    0-15-10-16(22-5-21-15)26(
    6-23-10)18-14(31)12(29)8(
    46-18)4-44-52(35,36)48-54
    (39,40)50-55(41,42)49-53(
    37,38)47-51(33,34)43-3-7-
    11(28)13(30)17(45-7)25-2-
    1-9(27)24-19(25)32/h1-2,5
    -8,11-14,17-18,28-31H,3-4
    H2,(H,33,34)(H,35,36)(H,3
    7,38)(H,39,40)(H,41,42)(H
    2,20,21,22)(H,24,27,32)/t
    7-,8-,11-,12-,13-,14-,17-
    ,18-/m1/s1;
    CPTLFMDLEWCNMJ-KPKSGTNCSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(
    =O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)
    NC5=O)[CH](O)[CH]3O; Nc1ncnc2n(cnc12)[C@
    @H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[
    P@](O)(=O)O[P@](O)(=O)O[P@](O)(=O)OC[C@H
    ]4O[C@H]([C@H](O)[C@@H]4O)N5C=CC(=O)NC5=
    O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)
    O[P@](=O)(O)O[P@@](=O)(O)O[P@@](=O)(O)O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)N5C=CC(=O)NC5=O)O)O)O)O)N; c1nc(c2c(n1
    )n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(
    =O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C
    =CC(=O)NC5=O)O)O)O)O)N    		 P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE
    39659 UP6
    CHEMBL463480
    DB03718
    ZINC000012503861    		 86 C8 H12 N3 O9 P InChI=1S/C8H12N3O9P/c12-4
    -1-9-11(8(15)10-4)7-6(14)
    5(13)3(20-7)2-19-21(16,17
    )18/h1,3,5-7,13-14H,2H2,(
    H,10,12,15)(H2,16,17,18)/
    t3-,5-,6-,7-/m1/s1;
    LRVZOSYMNMNQFR-SHUUEZRQSA-N    		 C1=NN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)
    O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)
    =O)N2N=CC(=O)NC2=O; O[C@H]1[C@@H](O)[C@@
    H](O[C@@H]1CO[P](O)(O)=O)N2N=CC(=O)NC2=O
    ; C1=NN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([
    C@H](O2)COP(=O)(O)O)O)O; O=C1N(N=CC(=O)N
    1)C2OC(C(O)C2O)COP(=O)(O)O    		 6-AZA URIDINE 5'-MONOPHOSPHATE;
    6-AZA-UMP
    39660 UP8
    CHEMBL2420929
    ZINC000000389579    		 2 C8 H7 N O4 InChI=1S/C8H7NO4/c9-5-3-1
    -2-4(7(10)11)6(5)8(12)13/
    h1-3H,9H2,(H,10,11)(H,12,
    13);
    WGLQHUKCXBXUDV-UHFFFAOYSA-N    		 c1cc(c(c(c1)N)C(=O)O)C(=O)O; Nc1cccc(C(O
    )=O)c1C(O)=O    		 3-AMINOBENZENE-1,2-DICARBOXYLIC ACID
    39661 UP9 1 C28 H38 F N7 O3 InChI=1S/C28H38FN7O3/c1-3
    2-8-11-34(12-9-32)27(38)1
    7-5-6-19-22(14-17)31-24-2
    0(26(30)37)15-21(29)25(23
    (19)24)35-7-3-4-18(16-35)
    36-13-10-33(2)28(36)39/h1
    5,17-18,31H,3-14,16H2,1-2
    H3,(H2,30,37)/t17-,18-/m0
    /s1;
    HAKSZOOIIKBVPT-ROUUACIJSA-N    		 CN1CCN(CC1)C(=O)[C@H]2CCc3c(C2)[nH]c4c(c
    c(F)c(N5CCC[C@H](C5)N6CCN(C)C6=O)c34)C(N
    )=O; CN1CCN(CC1)C(=O)[C@H]2CCc3c([nH]c4c
    3c(c(cc4C(=O)N)F)N5CCC[C@H](C5)N6CCN(C6=
    O)C)C2; CN1CCN(CC1)C(=O)C2CCc3c([nH]c4c3
    c(c(cc4C(=O)N)F)N5CCCC(C5)N6CCN(C6=O)C)C
    2; O=C(N1CCN(C)CC1)C1Cc2[NH]c3c(cc(F)c(N
    4CCCC(C4)N4CCN(C)C4=O)c3c2CC1)C(N)=O; CN
    1CCN(CC1)C(=O)[CH]2CCc3c(C2)[nH]c4c(cc(F
    )c(N5CCC[CH](C5)N6CCN(C)C6=O)c34)C(N)=O    		 (2S)-6-fluoro-5-[(3S)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-2-(4-methylpiperazine-1-carbonyl)-2,3,4,9-tetrahydro-1H-carbazole-8-carboxamide
    39662 UPA
    DB03447
    ZINC000015268260    		 2 C19 H24 N7 O12 P InChI=1S/C19H24N7O12P/c20
    -15-10-16(22-5-21-15)26(6
    -23-10)17-13(31)11(29)8(3
    7-17)4-35-39(33,34)38-14-
    12(30)7(3-27)36-18(14)25-
    2-1-9(28)24-19(25)32/h1-2
    ,5-8,11-14,17-18,27,29-31
    H,3-4H2,(H,33,34)(H2,20,2
    1,22)(H,24,28,32)/t7-,8-,
    11-,12-,13-,14-,17-,18-/m
    1/s1;
    QARCCHXXGAIRFS-KPKSGTNCSA-N    		 O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)
    OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O; c1nc(c2
    c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)
    CO[P@](=O)(O)O[C@@H]4[C@@H]([C@H](O[C@H]
    4N5C=CC(=O)NC5=O)CO)O)O)O)N; Nc1ncnc2n(c
    nc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[C@@H]
    4[C@H](O)[C@@H](CO)O[C@H]4N5C=CC(=O)NC5=
    O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n(cn2)C3
    C(C(C(O3)COP(=O)(O)OC4C(C(OC4N5C=CC(=O)N
    C5=O)CO)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[
    CH](CO[P](O)(=O)O[CH]4[CH](O)[CH](CO)O[C
    H]4N5C=CC(=O)NC5=O)[CH](O)[CH]3O    		 URIDYLYL-2'-5'-PHOSPHO-ADENOSINE
    39663 UPB
    ZINC000004096951    		 1 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h7-8,13-15,19,34H,2,9-
    12H2,1,3-6H3,(H,36,43)(H,
    37,42)(H,38,39)(H,40,41)/
    b20-7-,26-13-,27-14-,29-1
    5-/t19-/m1/s1;
    SNHIGJASYQUMKZ-NSNBCYBJSA-N    		 C/C=C\1/[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(
    c(c([nH]3)/C=C\4/C(=C(C(=O)N4)C=C)C)C)CC
    C(=O)O)/C(=C2C)CCC(=O)O)C; CC=C1C(C(=O)N
    C1=CC2=NC(=Cc3c(c(c([nH]3)C=C4C(=C(C(=O)
    N4)C=C)C)C)CCC(=O)O)C(=C2C)CCC(=O)O)C; C
    C=C1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(C=C
    4NC(=O)C(=C4C)C=C)c(C)c3CCC(O)=O)C(=C2C)
    CCC(O)=O; C\C=C/1[C@@H](C)C(=O)NC/1=C/C2
    =N\C(=C/c3[nH]c(\C=C4/NC(=O)C(=C4C)C=C)c
    (C)c3CCC(O)=O)C(=C2C)CCC(O)=O    		 3-[5-[(~{Z})-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[(~{Z})-[5-[(~{Z})-[(4~{R})-3-ethyl-4-methyl-5-oxidanylidene-pyrrolidin-2-ylidene]methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-pyrrol-2-ylidene]methyl]-4-methyl-1~{H}-pyrrol-3-yl]propanoic acid
    39664 UPC 3 C10 H17 N2 O13 P3 InChI=1S/C10H17N2O13P3/c1
    3-6-3-9(12-2-1-8(14)11-10
    (12)15)24-7(6)4-23-26(16,
    17)5-27(18,19)25-28(20,21
    )22/h1-2,6-7,9,13H,3-5H2,
    (H,16,17)(H,18,19)(H,11,1
    4,15)(H2,20,21,22)/t6-,7+
    ,9+/m0/s1;
    CLYYXAGDTAZMBH-LKEWCRSYSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(=O)C[P](O)(=O
    )O[P](O)(O)=O)N2C=CC(=O)NC2=O; O[C@H]1C[
    C@@H](O[C@@H]1CO[P](O)(=O)C[P](O)(=O)O[P
    ](O)(O)=O)N2C=CC(=O)NC2=O; O=P(O)(O)OP(=
    O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C
    C2O; C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(CP
    (=O)(O)OP(=O)(O)O)O)O; C1[C@@H]([C@H](O[
    C@H]1N2C=CC(=O)NC2=O)CO[P@@](=O)(C[P@@](
    =O)(O)OP(=O)(O)O)O)O    		 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]methyl}phosphoryl]uridine
    39665 UPD 1 C14 H19 N3 O3 InChI=1S/C14H19N3O3/c1-10
    (18)17-7-5-11(6-8-17)14(1
    9)16-12-3-4-13(20-2)15-9-
    12/h3-4,9,11H,5-8H2,1-2H3
    ,(H,16,19);
    ZIGOYOFMTWMITB-UHFFFAOYSA-N    		 COc1ccc(NC(=O)C2CCN(CC2)C(C)=O)cn1; CC(=
    O)N1CCC(CC1)C(=O)Nc2ccc(nc2)OC; N(c1cnc(
    cc1)OC)C(C2CCN(C(C)=O)CC2)=O    		 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide
    39666 UPE
    ZINC000098209501    		 0 C18 H22 N3 O9 P InChI=1S/C18H22N3O9P/c22-
    13-8-15(30-14(13)10-29-31
    (26,27)28)21-9-12(17(24)2
    0-18(21)25)16(23)19-7-6-1
    1-4-2-1-3-5-11/h1-5,9,13-
    15,22H,6-8,10H2,(H,19,23)
    (H,20,24,25)(H2,26,27,28)
    /t13-,14+,15+/m0/s1;
    CBTXGTWTWUZPNV-RRFJBIMHSA-N    		 c1ccc(cc1)CCNC(=O)C2=CN(C(=O)NC2=O)C3CC(
    C(O3)COP(=O)(O)O)O; c1ccc(cc1)CCNC(=O)C2
    =CN(C(=O)NC2=O)[C@H]3C[C@@H]([C@H](O3)CO
    P(=O)(O)O)O; O=P(O)(O)OCC3OC(N2C(=O)NC(=
    O)C(C(=O)NCCc1ccccc1)=C2)CC3O; O[CH]1C[C
    H](O[CH]1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3c
    cccc3)C(=O)NC2=O; O[C@H]1C[C@@H](O[C@@H]
    1CO[P](O)(O)=O)N2C=C(C(=O)NCCc3ccccc3)C(
    =O)NC2=O    		 2'-deoxy-5-[(2-phenylethyl)carbamoyl]uridine 5'-(dihydrogen phosphate)
    39667 UPF
    DB02976
    ZINC000015553713    		 5 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-11(23)9(21)5(3-19)32
    -14(8)33-36(28,29)34-35(2
    6,27)30-4-6-10(22)12(24)1
    3(31-6)18-2-1-7(20)17-15(
    18)25/h1-2,5-6,8-14,19,21
    -24H,3-4H2,(H,26,27)(H,28
    ,29)(H,17,20,25)/t5-,6-,8
    -,9+,10-,11-,12-,13-,14-/
    m1/s1;
    NGTCPFGWXMBZEP-KBQKSTHMSA-N    		 OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(
    =O)NC3=O)[C@H](F)[C@@H](O)[C@H]1O; O=P(O
    C1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N
    2C=CC(=O)NC2=O)C(O)C3O; C1=CN(C(=O)NC1=O
    )C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(
    C(O3)CO)O)O)F)O)O; C1=CN(C(=O)NC1=O)[C@H
    ]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O
    [P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]([
    C@H](O3)CO)O)O)F)O)O; OC[CH]1O[CH](O[P](
    O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O)[CH](F)[CH](O)[CH]1O    		 URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE;
    URIDINE-5'-MONOPHOSPHATE 2-DEOXY-2-FLUORO-GALACTOPYRANOSYL-MONOPHOSPHATE ESTER
    39668 UPG
    CHEMBL375951
    DB01861
    ZINC000008215472    		 296 C15 H24 N2 O17 P2 InChI=1S/C15H24N2O17P2/c1
    8-3-5-8(20)10(22)12(24)14
    (32-5)33-36(28,29)34-35(2
    6,27)30-4-6-9(21)11(23)13
    (31-6)17-2-1-7(19)16-15(1
    7)25/h1-2,5-6,8-14,18,20-
    24H,3-4H2,(H,26,27)(H,28,
    29)(H,16,19,25)/t5-,6-,8-
    ,9-,10+,11-,12-,13-,14-/m
    1/s1;
    HSCJRCZFDFQWRP-JZMIEXBBSA-N    		 OC[C@H]1O[C@H](O[P](O)(=O)O[P](O)(=O)OC[
    C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)N
    C3=O)[C@H](O)[C@@H](O)[C@@H]1O; O=C1C=CN
    (C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3
    OC(C(O)C(O)C3O)CO)O)O; OC[CH]1O[CH](O[P]
    (O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[C
    H]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1
    O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H](
    [C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)O[C@@H
    ]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)
    O)O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)
    (O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O)O    		 URIDINE-5'-DIPHOSPHATE-GLUCOSE;
    URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER
    39669 UPH 2 C24 H38 N4 O7 InChI=1S/C24H38N4O7/c29-1
    3-21-23(31)24(32)22(30)12
    -26(21)10-4-2-1-3-9-25-19
    -8-7-16(11-20(19)28(33)34
    )27-17-5-6-18(27)15-35-14
    -17/h7-8,11,17-18,21-25,2
    9-32H,1-6,9-10,12-15H2/t1
    7-,18+,21-,22+,23-,24-/m1
    /s1;
    QGCBQROIBSZCHP-OAOHXRHQSA-N    		 c1cc(c(cc1N2[C@@H]3CC[C@H]2COC3)[N+](=O)
    [O-])NCCCCCCN4C[C@@H]([C@H]([C@@H]([C@H]
    4CO)O)O)O; OC[C@@H]1[C@@H](O)[C@H](O)[C@
    @H](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O)N3
    [C@H]4CC[C@@H]3COC4; OC[CH]1[CH](O)[CH](
    O)[CH](O)CN1CCCCCCNc2ccc(cc2[N+]([O-])=O
    )N3[CH]4CC[CH]3COC4; OCC1C(O)C(O)C(O)CN1
    CCCCCCNc1ccc(cc1[N+]([O-])=O)N1C2CCC1COC
    2; c1cc(c(cc1N2C3CCC2COC3)[N+](=O)[O-])N
    CCCCCCN4CC(C(C(C4CO)O)O)O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{2-nitro-4-[(1R,5S)-3-oxa-8-azabicyclo[3.2.1]octan-8-yl]anilino}hexyl)piperidine-3,4,5-triol
    39670 UPI 2 C40 H38 N4 O16 InChI=1S/C40H38N4O16/c45-
    33(46)5-1-17-21(9-37(53)5
    4)29-14-26-19(3-7-35(49)5
    0)23(11-39(57)58)31(43-26
    )16-28-20(4-8-36(51)52)24
    (12-40(59)60)32(44-28)15-
    27-18(2-6-34(47)48)22(10-
    38(55)56)30(42-27)13-25(1
    7)41-29/h13-16,41,44H,1-1
    2H2,(H,45,46)(H,47,48)(H,
    49,50)(H,51,52)(H,53,54)(
    H,55,56)(H,57,58)(H,59,60
    )/b25-13-,26-14-,27-15-,2
    8-16-,29-14-,30-13-,31-16
    -,32-15-;
    DAFUFNRZWDWXJP-JRHDEHKPSA-N    		 c1c2c(c(c([nH]2)cc3nc(cc4c(c(c([nH]4)cc5
    nc1C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)
    O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(=O)O
    ; OC(=O)CCc1c2[nH]c(cc3nc(cc4[nH]c(cc5nc
    (c2)c(CC(O)=O)c5CCC(O)=O)c(CC(O)=O)c4CCC
    (O)=O)c(CC(O)=O)c3CCC(O)=O)c1CC(O)=O; c1
    \c2c(c(c([nH]2)cc3nc(/cc\4/c(c(c([nH]4)c
    c5n/c1/C(=C5CCC(=O)O)CC(=O)O)CC(=O)O)CCC
    (=O)O)C(=C3CCC(=O)O)CC(=O)O)CC(=O)O)CCC(
    =O)O    		 3-[(1Z,9Z)-3,8,13,18-tetrakis(2-hydroxy-2-oxoethyl)-7,12,17-tris(3-hydroxy-3-oxopropyl)-21,23-dihydroporphyrin-2-yl]propanoic acid;
    uroporphyrin I
    39671 UPJ 1 C15 H20 N2 O2 InChI=1S/C15H20N2O2/c1-12
    (18)17-10-8-13(9-11-17)15
    (19)16(2)14-6-4-3-5-7-14/
    h3-7,13H,8-11H2,1-2H3;
    UGFUNCZTAQSFHR-UHFFFAOYSA-N    		 N(c1ccccc1)(C)C(C2CCN(C(C)=O)CC2)=O; CN(
    C(=O)C1CCN(CC1)C(C)=O)c2ccccc2; CC(=O)N1
    CCC(CC1)C(=O)N(C)c2ccccc2    		 1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide
    39672 UPK 3 C16 H12 N2 O2 InChI=1S/C16H12N2O2/c19-1
    1-13-6-7-14(10-15(13)20)1
    8-9-8-17-16(18)12-4-2-1-3
    -5-12/h1-11,20H;
    KMBWPCASOARYEQ-UHFFFAOYSA-N    		 c1ccc(cc1)c2nccn2c3ccc(c(c3)O)C=O; Oc1cc
    (ccc1C=O)n2ccnc2c3ccccc3    		 2-(hydroxymethyl)-5-(2-phenylimidazol-1-yl)phenol
    39673 UPL 0 C34 H70 InChI=1S/C34H70/c1-4-7-10
    -13-16-18-19-21-24-27-30-
    33-34(31-28-25-22-15-12-9
    -6-3)32-29-26-23-20-17-14
    -11-8-5-2/h34H,4-33H2,1-3
    H3;
    QPCSNFPFMCVVAI-UHFFFAOYSA-N    		 CCCCCCCCCCCCC[C@@H](CCCCCCCCC)CCCCCCCCCC
    C; C(CCCCCCCC(CCCCCCCCC)CCCCCCCCCCC)CCCC
    C; CCCCCCCCCCCCCC(CCCCCCCCC)CCCCCCCCCCC    		 UNKNOWN BRANCHED FRAGMENT OF PHOSPHOLIPID;
    UNKNOWN PHOSPHOLIPID FRAGMENT
    39674 UPM
    ZINC000098209502    		 0 C20 H31 N3 O20 P2 InChI=1S/C20H31N3O20P2/c1
    -7(18(31)32)39-16-12(21-1
    1(27)5-25)19(41-8(4-24)14
    (16)29)42-45(36,37)43-44(
    34,35)38-6-9-13(28)15(30)
    17(40-9)23-3-2-10(26)22-2
    0(23)33/h2-3,7-9,12-17,19
    ,24-25,28-30H,4-6H2,1H3,(
    H,21,27)(H,31,32)(H,34,35
    )(H,36,37)(H,22,26,33)/t7
    -,8-,9-,12-,13-,14-,15-,1
    6-,17-,19-/m1/s1;
    NZYFYXRHIWOMRL-LRVZQNRTSA-N    		 C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@H](
    O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H](
    [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@@H]1
    NC(=O)CO)C(O)=O; O=P(OC1OC(C(O)C(OC(C(=O
    )O)C)C1NC(=O)CO)CO)(O)OP(=O)(O)OCC3OC(N2
    C=CC(=O)NC2=O)C(O)C3O; C[C@H](C(=O)O)O[C
    @@H]1[C@H]([C@H](O[C@@H]([C@H]1O)CO)O[P@
    @](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([C@H
    ]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)NC(=O)CO
    ; C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O[P](
    O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O)[CH]1NC(=O)CO)C(O)=O
    ; CC(C(=O)O)OC1C(C(OC(C1O)CO)OP(=O)(O)OP
    (=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC3=O)O)O)
    NC(=O)CO    		 URIDINE-5'-DIPHOSPHATE-N-1-HYDROOXY-ETHANOYL MURAMAIC ACID
    39675 UPN
    ZINC000098209503    		 1 C20 H29 N3 O19 P2 InChI=1S/C20H29N3O19P2/c1
    -7(18(30)31)38-16-12(21-8
    (2)25)19(40-9(5-24)14(16)
    28)41-44(35,36)42-43(33,3
    4)37-6-10-13(27)15(29)17(
    39-10)23-4-3-11(26)22-20(
    23)32/h3-4,9-10,12-17,19,
    24,27-29H,1,5-6H2,2H3,(H,
    21,25)(H,30,31)(H,33,34)(
    H,35,36)(H,22,26,32)/t9-,
    10-,12-,13-,14+,15-,16-,1
    7-,19-/m1/s1;
    BEGZZYPUNCJHKP-ZDFMKFTCSA-N    		 CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@@H]1
    O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]2[C@H]([
    C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)CO)O)
    OC(=C)C(=O)O; CC(=O)N[C@H]1[C@H](O[C@H](
    CO)[C@H](O)[C@@H]1OC(=C)C(O)=O)O[P](O)(=
    O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@
    H]2O)N3C=CC(=O)NC3=O; CC(=O)N[CH]1[CH](O
    [CH](CO)[CH](O)[CH]1OC(=C)C(O)=O)O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)N3C=CC(=O)NC3=O; CC(=O)NC1C(C(C(OC1OP(
    =O)(O)OP(=O)(O)OCC2C(C(C(O2)N3C=CC(=O)NC
    3=O)O)O)CO)O)OC(=C)C(=O)O; O=C1C=CN(C(=O
    )N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(
    O)C(O\C(=C)C(=O)O)C3NC(=O)C)CO)O)O    		 2-{[(2R,3R,4R,5R,6R)-3-(acetylamino)-2-{[(S)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid
    39676 UPO 1 C22 H24 N4 O3 InChI=1S/C22H24N4O3/c1-27
    -17-6-4-5-15(9-17)18-12-2
    1(25-22(23)24-18)26-8-7-1
    4-10-19(28-2)20(29-3)11-1
    6(14)13-26/h4-6,9-12H,7-8
    ,13H2,1-3H3,(H2,23,24,25);
    NPOWEYVUOJZLJJ-UHFFFAOYSA-N    		 COc1cccc(c1)c2cc(nc(N)n2)N3CCc4cc(OC)c(O
    C)cc4C3; COc1cccc(c1)c2cc(nc(n2)N)N3CCc4
    cc(c(cc4C3)OC)OC    		 4-(6,7-dimethoxy-3,4-dihydro-1~{H}-isoquinolin-2-yl)-6-(3-methoxyphenyl)pyrimidin-2-amine
    39677 UPP
    CHEMBL1199734
    DB02790
    ZINC000016052541    		 4 C15 H18 N2 O12 P2 InChI=1S/C15H18N2O12P2/c1
    8-11-6-7-17(15(21)16-11)1
    4-13(20)12(19)10(27-14)8-
    26-30(22,23)29-31(24,25)2
    8-9-4-2-1-3-5-9/h1-7,10,1
    2-14,19-20H,8H2,(H,22,23)
    (H,24,25)(H,16,18,21)/t10
    -,12-,13-,14-/m1/s1;
    ZHUWBKDWWGKIEN-FMKGYKFTSA-N    		 c1ccc(cc1)O[P@](=O)(O)O[P@](=O)(O)OC[C@@
    H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O
    )O)O; O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=
    O)O[P](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=O;
    O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P@](O)
    (=O)O[P@](O)(=O)Oc2ccccc2)N3C=CC(=O)NC3=
    O; c1ccc(cc1)OP(=O)(O)OP(=O)(O)OCC2C(C(C
    (O2)N3C=CC(=O)NC3=O)O)O; O=P(O)(Oc1ccccc
    1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)
    C3O    		 PHENYL-URIDINE-5'-DIPHOSPHATE
    39678 UPQ
    ZINC000034441230    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c1-9-6
    -13(8-12-9)11-4-2-10(7-14
    )3-5-11/h2-8H,1H3;
    PVVBFOHONHPONZ-UHFFFAOYSA-N    		 Cc1cn(cn1)c2ccc(C=O)cc2; Cc1cn(cn1)c2ccc
    (cc2)C=O    		 4-(4-methylimidazol-1-yl)benzaldehyde
    39679 UPR 0 C9 H18 N3 O14 P3 InChI=1S/C9H18N3O14P3/c13
    -5-3-8(12-2-1-7(14)10-9(1
    2)15)25-6(5)4-24-29(21,22
    ,23)11-27(16,17)26-28(18,
    19)20/h1-2,5-6,8,13,21-23
    H,3-4H2,(H,10,14,15)(H2,1
    1,16,17)(H2,18,19,20)/t5-
    ,6+,8+/m0/s1;
    VZYHSAMJZCSQOU-SHYZEUOFSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)(O)N[P](O)(
    =O)O[P](O)(O)=O)N2C=CC(=O)NC2=O; C1C(C(O
    C1N2C=CC(=O)NC2=O)COP(NP(=O)(O)OP(=O)(O)
    O)(O)(O)O)O; P(O)(O)(O)(NP(=O)(O)OP(=O)(
    O)O)OCC1OC(CC1O)N2C(=O)NC(=O)C=C2; C1[C@
    @H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)COP(N[P
    @@](=O)(O)OP(=O)(O)O)(O)(O)O)O; O[C@H]1C
    [C@@H](O[C@@H]1CO[P](O)(O)(O)N[P](O)(=O)
    O[P](O)(O)=O)N2C=CC(=O)NC2=O    		 2'-DEOXYURIDINE-5'-ALPHA,BETA-AMINOPHOSPHORANE-TRIPHOSPHATE
    39680 UPS 0 C9 H13 N2 O7 P S InChI=1S/C9H13N2O7PS/c12-
    5-3-8(11-2-1-7(13)10-9(11
    )14)18-6(5)4-17-19(15,16)
    20/h1-2,5-6,8,12H,3-4H2,(
    H,10,13,14)(H2,15,16,20)/
    t5-,6+,8+/m0/s1;
    LGZBLTPUGKWVDT-SHYZEUOFSA-N    		 O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O
    ; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=S)N
    2C=CC(=O)NC2=O; C1[C@@H]([C@H](O[C@H]1N2
    C=CC(=O)NC2=O)COP(=S)(O)O)O; C1C(C(OC1N2
    C=CC(=O)NC2=O)COP(=S)(O)O)O; O[CH]1C[CH]
    (O[CH]1CO[P](O)(O)=S)N2C=CC(=O)NC2=O    		 2'-deoxy-5'-O-thiophosphonouridine
    39681 UPT 5 C9 H11 N2 O7 P S InChI=1S/C9H11N2O7PS/c12-
    3-4-6-7(18-19(15,20)17-6)
    8(16-4)11-2-1-5(13)10-9(1
    1)14/h1-2,4,6-8,12H,3H2,(
    H,15,20)(H,10,13,14)/t4-,
    6-,7-,8-,19-/m1/s1;
    OIDQHQCLWHMGIL-VQAIERIMSA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@H]3[C@@H]([C@H
    ](O2)CO)O[P@@](=S)(O3)O; S=P1(OC2C(OC(C2
    O1)CO)N3C=CC(=O)NC3=O)O; C1=CN(C(=O)NC1=
    O)C2C3C(C(O2)CO)OP(=S)(O3)O; OC[CH]1O[CH
    ]([CH]2O[P](O)(=S)O[CH]12)N3C=CC(=O)NC3=
    O; OC[C@H]1O[C@H]([C@@H]2O[P@](O)(=S)O[C
    @H]12)N3C=CC(=O)NC3=O    		 1-[(2R,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-sulfidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione
    39682 UPU
    ZINC000016052409    		 5 C18 H23 N4 O14 P InChI=1S/C18H23N4O14P/c23
    -5-7-14(13(28)16(34-7)22-
    4-2-10(25)20-18(22)30)36-
    37(31,32)33-6-8-11(26)12(
    27)15(35-8)21-3-1-9(24)19
    -17(21)29/h1-4,7-8,11-16,
    23,26-28H,5-6H2,(H,31,32)
    (H,19,24,29)(H,20,25,30)/
    t7-,8-,11-,12-,13-,14-,15
    -,16-/m1/s1;
    KXSPLNAXPMVUEC-NCOIDOBVSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OC
    3C(OC(C3O)N4C=CC(=O)NC4=O)CO)O)O; O=C1C=
    CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C
    (=O)NC(=O)C=C2)C(O)C3O)C4O; C1=CN(C(=O)N
    C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@]
    (=O)(O)O[C@@H]3[C@H](O[C@H]([C@@H]3O)N4C
    =CC(=O)NC4=O)CO)O)O; OC[CH]1O[CH]([CH](O
    )[CH]1O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH
    ]2O)N3C=CC(=O)NC3=O)N4C=CC(=O)NC4=O; OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O[P@](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(=O
    )NC3=O)N4C=CC(=O)NC4=O
    39683 UPV
    ZINC000098209504    		 0 C15 H23 N2 O11 P InChI=1S/C15H23N2O11P/c1-
    15(2,3)13(20)26-7-25-11-1
    0(19)8(6-27-29(22,23)24)2
    8-12(11)17-5-4-9(18)16-14
    (17)21/h4-5,8,10-12,19H,6
    -7H2,1-3H3,(H,16,18,21)(H
    2,22,23,24)/t8-,10-,11-,1
    2-/m1/s1;
    AVEWAPSZWXGLGF-HJQYOEGKSA-N    		 CC(C)(C)C(=O)OCOC1C(C(OC1N2C=CC(=O)NC2=O
    )COP(=O)(O)O)O; CC(C)(C)C(=O)OCO[CH]1[CH
    ](O)[CH](CO[P](O)(O)=O)O[CH]1N2C=CC(=O)N
    C2=O; CC(C)(C)C(=O)OCO[C@@H]1[C@H](O)[C@
    @H](CO[P](O)(O)=O)O[C@H]1N2C=CC(=O)NC2=O
    ; O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(OC
    OC(=O)C(C)(C)C)C2O; CC(C)(C)C(=O)OCO[C@@
    H]1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)C
    OP(=O)(O)O)O    		 2'-O-{[(2,2-dimethylpropanoyl)oxy]methyl}uridine 5'-(dihydrogen phosphate)
    39684 UPW 1 C14 H13 N4 O6 InChI=1S/C14H12N4O6/c19-1
    0-5-6-11(17-13(10)14(22)1
    5-7-12(20)21)16-8-1-3-9(4
    -2-8)18(23)24/h1-6H,7H2,(
    H4-,15,16,17,19,20,21,22,
    23,24)/p+1;
    ISGBDWMUHZDQRG-UHFFFAOYSA-O    		 c1cc(ccc1Nc2ccc(c(n2)C(=O)NCC(=O)O)O)[N+
    ](=O)O; OC(=O)CNC(=O)c1nc(Nc2ccc(cc2)[N+
    ](O)=O)ccc1O    		 2-[[6-[(4-nitrophenyl)amino]-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid
    39685 UPX
    ZINC000095920526    		 1 C20 H17 N7 O3 InChI=1S/C20H17N7O3/c1-12
    (25-26-20-21-9-10-22-20)1
    3-5-7-15(8-6-13)23-19(28)
    16-11-14-3-2-4-17(27(29)3
    0)18(14)24-16/h2-11,24H,1
    H3,(H,23,28)(H2,21,22,26)
    /b25-12+;
    ZRMHKCSZOJQCBI-BRJLIKDPSA-N    		 CC(=NNc1[nH]ccn1)c2ccc(NC(=O)c3[nH]c4c(c
    ccc4[N+]([O-])=O)c3)cc2; CC(=N\Nc1[nH]cc
    n1)/c2ccc(NC(=O)c3[nH]c4c(cccc4[N+]([O-]
    )=O)c3)cc2; CC(=NNc1[nH]ccn1)c2ccc(cc2)N
    C(=O)c3cc4cccc(c4[nH]3)[N+](=O)[O-]; C/C
    (=N\Nc1[nH]ccn1)/c2ccc(cc2)NC(=O)c3cc4cc
    cc(c4[nH]3)[N+](=O)[O-]; [O-][N+](=O)c2c
    ccc1cc(nc12)C(=O)Nc4ccc(/C(=N/Nc3nccn3)C
    )cc4    		 N-{4-[(1E)-N-1H-IMIDAZOL-2-YLETHANEHYDRAZONOYL]PHENYL}-7-NITRO-1H-INDOLE-2-CARBOXAMIDE
    39686 UPZ
    ZINC000000027938    		 1 C10 H11 N3 O3 InChI=1S/C10H11N3O3/c1-3-
    16-10(15)7-5-11-8-4-9(14)
    12-13(8)6(7)2/h4-5H,3H2,1
    -2H3,(H,12,14);
    UGSAIASUGJTLIZ-UHFFFAOYSA-N    		 CCOC(=O)C1=C(C)N2NC(=O)C=C2N=C1; CCOC(=O
    )C1=C(N2C(=CC(=O)N2)N=C1)C    		 ethyl 7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylate
    39687 UQ 149 C59 H90 O4 InChI=1S/C59H90O4/c1-44(2
    )24-15-25-45(3)26-16-27-4
    6(4)28-17-29-47(5)30-18-3
    1-48(6)32-19-33-49(7)34-2
    0-35-50(8)36-21-37-51(9)3
    8-22-39-52(10)40-23-41-53
    (11)42-43-55-54(12)56(60)
    58(62-13)59(63-14)57(55)6
    1/h24,26,28,30,32,34,36,3
    8,40,42H,15-23,25,27,29,3
    1,33,35,37,39,41,43H2,1-1
    4H3/b45-26?,46-28?,47-30-
    ,48-32+,49-34+,50-36+,51-
    38-,52-40+,53-42-;
    ACTIUHUUMQJHFO-RECDIHICSA-N    		 CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(\C)/CCC
    =C(C)CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC
    \C=C(/C)\CC\C=C(\C)/CCC=C(C)CCC=C(C)CCC=
    C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C
    )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C
    )CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C; O=C1
    C(=C(C(=O)C(OC)=C1OC)C)C/C=C(/C)CC\C=C(/
    C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/
    C)CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/
    C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(\C
    )CC\C=C(/C)CC\C=C(\C)CC\C=C(/C)CC\C=C(/C
    )CC\C=C(/C)CC\C=C(\C)CCC=C(C)CCC=C(C)CCC
    =C(C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(
    C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
    C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C    		 Coenzyme Q10, (2Z,6E,10Z,14E,18E,22E,26Z)-isomer
    39688 UQ0
    CHEMBL1812772
    ZINC000000155259    		 45 C9 H10 O4 InChI=1S/C9H10O4/c1-5-4-6
    (10)8(12-2)9(13-3)7(5)11/
    h4H,1-3H3;
    UIXPTCZPFCVOQF-UHFFFAOYSA-N    		 CC1=CC(=O)C(=C(C1=O)OC)OC; COC1=C(OC)C(=
    O)C(=CC1=O)C; O=C1C=C(C(=O)C(OC)=C1OC)C    		 2,3-DIMETHOXY-5-METHYL-1,4-BENZOQUINONE
    39689 UQ1
    CHEMBL1236594
    DB08689
    ZINC000001559692    		 105 C14 H18 O4 InChI=1S/C14H18O4/c1-8(2)
    6-7-10-9(3)11(15)13(17-4)
    14(18-5)12(10)16/h6H,7H2,
    1-5H3;
    SOECUQMRSRVZQQ-UHFFFAOYSA-N    		 COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)C; CC1
    =C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)C; O=C1C(
    =C(C(=O)C(OC)=C1OC)C)C\C=C(/C)C    		 UBIQUINONE-1
    39690 UQ2
    CHEMBL1236595
    DB08690
    ZINC000001532641    		 39 C19 H26 O4 InChI=1S/C19H26O4/c1-12(2
    )8-7-9-13(3)10-11-15-14(4
    )16(20)18(22-5)19(23-6)17
    (15)21/h8,10H,7,9,11H2,1-
    6H3/b13-10+;
    SQQWBSBBCSFQGC-JLHYYAGUSA-N    		 CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC
    =C(C)C; O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C
    (/C)CC\C=C(/C)C; COC1=C(OC)C(=O)C(=C(C)C
    1=O)CC=C(C)CCC=C(C)C; COC1=C(OC)C(=O)C(=
    C(C)C1=O)C\C=C(/C)CCC=C(C)C; CC1=C(C(=O)
    C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C    		 UBIQUINONE-2
    39691 UQ3 15 C24 H40 N7 O18 P3 S InChI=1S/C24H40N7O18P3S/c
    1-12(32)23(37)53-7-6-26-1
    4(33)4-5-27-21(36)18(35)2
    4(2,3)9-46-52(43,44)49-51
    (41,42)45-8-13-17(48-50(3
    8,39)40)16(34)22(47-13)31
    -11-30-15-19(25)28-10-29-
    20(15)31/h10-13,16-18,22,
    32,34-35H,4-9H2,1-3H3,(H,
    26,33)(H,27,36)(H,41,42)(
    H,43,44)(H2,25,28,29)(H2,
    38,39,40)/t12-,13-,16-,17
    -,18+,22-/m1/s1;
    VIWKEBOLLIEAIL-AGCMQPJKSA-N    		 C[CH](O)C(=O)SCCNC(=O)CCNC(=O)[CH](O)C(C
    )(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH](
    [CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc2
    3; CC(C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)OP(=O)(O)O)O)O; C[C@H](C(=O)SCCNC(
    =O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)OP(=O
    )(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc
    3c2ncnc3N)O)OP(=O)(O)O)O)O; CC(O)C(=O)SC
    CNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=
    O)(O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O
    )(O)O; C[C@@H](O)C(=O)SCCNC(=O)CCNC(=O)[
    C@H](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[
    C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O)
    n2cnc3c(N)ncnc23    		 S-{(3S,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5,10,14-tetraoxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (2R)-2-hydroxypropanethioate;
    Lactyl-CoA
    39692 UQ4 0 C9 H8 N4 O5 InChI=1S/C9H8N4O5/c14-7(1
    5)3-4-10-5-1-2-6(13(16)17
    )9-8(5)11-18-12-9/h1-2,10
    H,3-4H2,(H,14,15);
    MWTXZSDNHVFODA-UHFFFAOYSA-N    		 C(=O)(CCNc1c2c(c(cc1)N(=O)=O)non2)O; c1c
    c(c2c(c1NCCC(=O)O)non2)N(=O)=O; OC(=O)CC
    Nc1ccc(c2nonc12)[N](=O)=O    		 N-(7-nitro-2,1,3-benzoxadiazol-4-yl)-beta-alanine
    39693 UQ5
    ZINC000058649852    		 24 C34 H50 O4 InChI=1S/C34H50O4/c1-24(2
    )14-10-15-25(3)16-11-17-2
    6(4)18-12-19-27(5)20-13-2
    1-28(6)22-23-30-29(7)31(3
    5)33(37-8)34(38-9)32(30)3
    6/h14,16,18,20,22H,10-13,
    15,17,19,21,23H2,1-9H3/b2
    5-16+,26-18+,27-20+,28-22
    +;
    NYFAQDMDAFCWPU-UVCHAVPFSA-N    		 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(
    C)CCC=C(C)CCC=C(C)CCC=C(C)C; CC1=C(C(=O)
    C(=C(C1=O)OC)OC)C\C=C(/C)\CC\C=C(/C)\CC\
    C=C(/C)\CC\C=C(/C)\CCC=C(C)C; COC1=C(OC)
    C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)
    CCC=C(C)CCC=C(C)C; COC1=C(OC)C(=O)C(=C(C
    )C1=O)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=
    C(/C)CCC=C(C)C; O=C1C(=C(C(=O)C(OC)=C1OC
    )C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/
    C)CC/C=C(/C)C    		 2,3-DIMETHOXY-5-METHYL-6-(3,11,15,19-TETRAMETHYL-EICOSA-2,6,10,14,18-PENTAENYL)-[1,4]BENZOQUINONE
    39694 UQ6
    ZINC000064437272    		 43 C39 H60 O4 InChI=1S/C39H60O4/c1-28(2
    )16-11-17-29(3)18-12-19-3
    0(4)20-13-21-31(5)22-14-2
    3-32(6)24-15-25-33(7)26-2
    7-35-34(8)36(40)38(42-9)3
    9(43-10)37(35)41/h16,18,2
    0,22,24,26,40-41H,11-15,1
    7,19,21,23,25,27H2,1-10H3
    /b29-18+,30-20+,31-22-,32
    -24+,33-26+;
    DYOSCPIQEYRQEO-XQCASOQKSA-N    		 O(c1c(O)c(c(c(O)c1OC)C\C=C(/C)CC\C=C(/C)
    CC/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)
    C)C)C; Cc1c(c(c(c(c1O)OC)OC)O)CC=C(C)CCC
    =C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C;
    Cc1c(c(c(c(c1O)OC)OC)O)C\C=C(/C)\CC\C=C(
    /C)\CC\C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CCC
    =C(C)C; COc1c(O)c(C)c(CC=C(C)CCC=C(C)CCC
    =C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)c(O)c1OC;
    COc1c(O)c(C)c(C\C=C(/C)CC\C=C(/C)CC\C=C
    (\C)CC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(O)c1
    OC    		 5-(3,7,11,15,19,23-HEXAMETHYL-TETRACOSA-2,6,10,14,18,22-HEXAENYL)-2,3-DIMETHOXY-6-METHYL-BENZENE-1,4-DIOL
    39695 UQ7
    ZINC000058649855    		 21 C44 H66 O4 InChI=1S/C44H66O4/c1-32(2
    )18-12-19-33(3)20-13-21-3
    4(4)22-14-23-35(5)24-15-2
    5-36(6)26-16-27-37(7)28-1
    7-29-38(8)30-31-40-39(9)4
    1(45)43(47-10)44(48-11)42
    (40)46/h18,20,22,24,26,28
    ,30H,12-17,19,21,23,25,27
    ,29,31H2,1-11H3/b33-20+,3
    4-22+,35-24+,36-26+,37-28
    +,38-30+;
    DBESHHFMIFSNRV-RJYQSXAYSA-N    		 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(
    C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
    C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C
    )CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C
    )CC\C=C(/C)CCC=C(C)C; COC1=C(OC)C(=O)C(=
    C(C)C1=O)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)
    CCC=C(C)CCC=C(C)CCC=C(C)C; O=C1C(=C(C(=O
    )C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/
    C)\CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\C
    =C(/C)\CC\C=C(/C)\CCC=C(C)C    		 UBIQUINONE-7
    39696 UQ8
    ZINC000058633050    		 156 C49 H74 O4 InChI=1S/C49H74O4/c1-36(2
    )20-13-21-37(3)22-14-23-3
    8(4)24-15-25-39(5)26-16-2
    7-40(6)28-17-29-41(7)30-1
    8-31-42(8)32-19-33-43(9)3
    4-35-45-44(10)46(50)48(52
    -11)49(53-12)47(45)51/h20
    ,22,24,26,28,30,32,34H,13
    -19,21,23,25,27,29,31,33,
    35H2,1-12H3/b37-22+,38-24
    +,39-26+,40-28+,41-30+,42
    -32+,43-34+;
    ICFIZJQGJAJRSU-SGHXUWJISA-N    		 CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(
    C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(
    C)CCC=C(C)C; CC1=C(C(=O)C(=C(C1=O)OC)OC)
    CC=C(C)CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\
    CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CCC=C(C
    )C; COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CC
    C=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CC
    C=C(C)CCC=C(C)C; O=C1C(=C(C(=O)C(OC)=C1O
    C)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(
    /C)C; COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(C
    )\CC\C=C(C)\CC\C=C(C)\CC\C=C(C)\CC\C=C(C
    )\CC\C=C(C)\CC\C=C(C)\CCC=C(C)C    		 Ubiquinone-8;
    2,3-dimethoxy-5-methyl-6-[(6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-oc taen-1-yl]cyclohexa-2,5-diene-1,4-dione
    39697 UQ9
    ZINC000098209509    		 72 C54 H82 O4 InChI=1S/C54H82O4/c1-40(2
    )22-14-23-41(3)24-15-25-4
    2(4)26-16-27-43(5)28-17-2
    9-44(6)30-18-31-45(7)32-1
    9-33-46(8)34-20-35-47(9)3
    6-21-37-48(10)38-39-50-49
    (11)51(55)53(57-12)54(58-
    13)52(50)56/h22,24,26,28,
    30,32,34,36,38H,14-21,23,
    25,27,29,31,33,35,37,39H2
    ,1-13H3/b41-24-,42-26+,43
    -28+,44-30+,45-32-,46-34+
    ,47-36+,48-38+;
    UUGXJSBPSRROMU-YJKFELPISA-N    		 COC1=C(OC)C(=O)C(=C(C)C1=O)C/C=C(C)/CC\C
    =C(C)\CC/C=C(C)/CC\C=C(C)/CC/C=C(C)/CC\C
    =C(C)\CC/C=C(C)/CC\C=C(C)/CCC=C(C)C; COC
    1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
    CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
    CC=C(C)CCC=C(C)C; CC1=C(C(=O)C(=C(C1=O)O
    C)OC)C\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)\CC\
    C=C(\C)/CC\C=C(/C)\CC\C=C(/C)\CC\C=C(/C)
    \CC\C=C(\C)/CCC=C(C)C; O=C1C(=C(C(=O)C(O
    C)=C1OC)C)C\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
    C/C=C(/C)CC\C=C(/C)CC\C=C(/C)CC\C=C(/C)C
    C/C=C(/C)CC\C=C(/C)C; CC1=C(C(=O)C(=C(C1
    =O)OC)OC)CC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)
    CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)
    C    		 Ubiquinone-9;
    2,3-dimethoxy-5-methyl-6-[(2E,6E,10E,14Z,18E,22E,26E,30Z)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18 ,22,26,30,34-nonaen-1-yl]cyclohexa-2,5-diene-1,4-dione
    39698 UQA
    CHEMBL40
    DB01174
    ZINC000095588079    		 4 C12 H12 N2 O3 InChI=1S/C12H12N2O3/c1-2-
    12(8-6-4-3-5-7-8)9(15)13-
    11(17)14-10(12)16/h3-7H,2
    H2,1H3,(H2,13,14,15,16,17
    );
    DDBREPKUVSBGFI-UHFFFAOYSA-N    		 CCC1(C(=O)NC(=O)NC1=O)c2ccccc2; CCC1(C(N
    C(=O)NC1=O)=O)c2ccccc2    		 5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione;
    Phenobarbital
    39699 UQB
    ZINC000002040653    		 1 C8 H10 F N O InChI=1S/C8H10FNO/c9-7-3-
    1-6(2-4-7)8(11)5-10/h1-4,
    8,11H,5,10H2/t8-/m0/s1;
    LPKXWVNNGWDLMT-QMMMGPOBSA-N    		 c1cc(ccc1[C@H](CN)O)F; NC[C@H](O)c1ccc(F
    )cc1; NC[CH](O)c1ccc(F)cc1; c1cc(ccc1C(C
    N)O)F    		 (1R)-2-amino-1-(4-fluorophenyl)ethanol;
    (1~{R})-2-azanyl-1-(4-fluorophenyl)ethanol
    39700 UQC
    CHEMBL1499
    DB14681
    ZINC000004083557    		 2 C21 H28 O5 InChI=1S/C21H28O5/c1-19-7
    -5-13(23)9-12(19)3-4-14-1
    5-6-8-21(26,17(25)11-22)2
    0(15,2)10-16(24)18(14)19/
    h9,14-15,18,22,26H,3-8,10
    -11H2,1-2H3/t14-,15-,18+,
    19-,20-,21-/m0/s1;
    MFYSYFVPBJMHGN-ZPOLXVRWSA-N    		 C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](
    O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23; C[C]1
    2CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO
    )[C]4(C)CC(=O)[CH]23; CC12CCC(=O)C=C1CCC
    3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C; C[C@]12C
    CC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C
    @H]3CC[C@@]4(C(=O)CO)O)C    		 Cortisone;
    (8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione;
    17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione
    39701 UQD
    CHEMBL4643810    		 1 C18 H16 Cl N5 O InChI=1S/C18H16ClN5O/c1-1
    0-2-4-11(5-3-10)15-16(25)
    18(23-9-22-15)24-14-7-6-1
    2(17(20)21)8-13(14)19/h2-
    9,25H,1H3,(H3,20,21)(H,22
    ,23,24);
    SNGWZJUYWHIFIM-UHFFFAOYSA-N    		 Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3Cl)C(N)=N)c2
    O; n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc(/C(N)=
    N)cc3Cl; [H]/N=C(\c1ccc(c(c1)Cl)Nc2c(c(n
    cn2)c3ccc(cc3)C)O)/N; Cc1ccc(cc1)c2c(c(n
    cn2)Nc3ccc(cc3Cl)C(=N)N)O    		 3-chloro-4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
    39702 UQE 2 C21 H20 N6 O5 S2 InChI=1S/C21H20N6O5S2/c28
    -16-6-4-14(5-7-16)11-18(2
    1(29)25-30)27-13-15(24-26
    -27)12-23-34(31,32)20-9-8
    -19(33-20)17-3-1-2-10-22-
    17/h1-10,13,18,23,28,30H,
    11-12H2,(H,25,29)/t18-/m0
    /s1;
    QHHWCHMBFWYFFS-SFHVURJKSA-N    		 ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(
    =O)c3sc(cc3)c4ccccn4)nn2; c1ccnc(c1)c2cc
    c(s2)S(=O)(=O)NCc3cn(nn3)C(Cc4ccc(cc4)O)
    C(=O)NO; c1ccnc(c1)c2ccc(s2)S(=O)(=O)NCc
    3cn(nn3)[C@@H](Cc4ccc(cc4)O)C(=O)NO; ONC
    (=O)[C@H](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O
    )c3sc(cc3)c4ccccn4)nn2    		 (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide
    39703 UQG
    CHEMBL4636716    		 1 C18 H17 N5 O InChI=1S/C18H17N5O/c1-11-
    2-4-12(5-3-11)15-16(24)18
    (22-10-21-15)23-14-8-6-13
    (7-9-14)17(19)20/h2-10,24
    H,1H3,(H3,19,20)(H,21,22,
    23);
    FQSMNGLHSXWGEE-UHFFFAOYSA-N    		 [H]/N=C(\c1ccc(cc1)Nc2c(c(ncn2)c3ccc(cc3
    )C)O)/N; Cc1ccc(cc1)c2ncnc(Nc3ccc(cc3)C(
    N)=N)c2O; n2cnc(c1ccc(C)cc1)c(O)c2Nc3ccc
    (cc3)/C(N)=N; Cc1ccc(cc1)c2c(c(ncn2)Nc3c
    cc(cc3)C(=N)N)O    		 4-{[5-hydroxy-6-(4-methylphenyl)pyrimidin-4-yl]amino}benzene-1-carboximidamide
    39704 UQH 2 C25 H36 N4 O4 InChI=1S/C25H36N4O4/c30-1
    6-22-24(32)25(33)23(31)15
    -29(22)11-4-2-1-3-9-26-20
    -13-18(17-7-8-17)12-19(14
    -20)21-6-5-10-27-28-21/h5
    -6,10,12-14,17,22-26,30-3
    3H,1-4,7-9,11,15-16H2/t22
    -,23+,24-,25-/m1/s1;
    LSJOTQOBANSWBZ-ZFFYZDHPSA-N    		 c1cc(nnc1)c2cc(cc(c2)NCCCCCCN3C[C@@H]([C
    @H]([C@@H]([C@H]3CO)O)O)O)C4CC4; OCC1C(O
    )C(O)C(O)CN1CCCCCCNc1cc(cc(c1)C1CC1)c1cc
    cnn1; OC[CH]1[CH](O)[CH](O)[CH](O)CN1CCC
    CCCNc2cc(cc(c2)c3cccnn3)C4CC4; OC[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCCNc2cc
    (cc(c2)c3cccnn3)C4CC4; c1cc(nnc1)c2cc(cc
    (c2)NCCCCCCN3CC(C(C(C3CO)O)O)O)C4CC4    		 (2R,3R,4R,5S)-1-(6-{[(5M)-3-cyclopropyl-5-(pyridazin-3-yl)phenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
    39705 UQI 5 C22 H24 Cl2 N4 O2 S InChI=1S/C22H24Cl2N4O2S/c
    1-2-15-13-27(14-18-6-3-4-
    9-26-18)22(29)21-8-5-7-20
    (15)28(21)31(25,30)19-11-
    16(23)10-17(24)12-19/h2-4
    ,6,9-12,15,20-21,25H,1,5,
    7-8,13-14H2/t15-,20+,21-,
    31+/m0/s1;
    CQIWVXGAJXNGRQ-LXYCOFEWSA-N    		 C=C[C@H]1CN(C(=O)[C@@H]2CCC[C@H]1N2[S@@]
    (=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4; Clc1
    cc(Cl)cc(c1)[S](=N)(=O)N2[CH]3CCC[CH]2C(
    =O)N(C[CH]3C=C)Cc4ccccn4; C=CC1CN(C(=O)C
    2CCCC1N2S(=N)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccc
    cn4; Clc1cc(Cl)cc(c1)[S@](=N)(=O)N2[C@@H
    ]3CCC[C@H]2C(=O)N(C[C@@H]3C=C)Cc4ccccn4    		 (1S,5S,6R)-10-[[3,5-bis(chloranyl)phenyl]sulfonimidoyl]-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    39706 UQJ
    CHEMBL4564314
    ZINC000083255316    		 4 C6 H7 F2 N3 O InChI=1S/C6H7F2N3O/c1-11-
    2-3(6(9)12)4(10-11)5(7)8/
    h2,5H,1H3,(H2,9,12);
    XNXCINUKGNQCEZ-UHFFFAOYSA-N    		 Cn1cc(C(N)=O)c(n1)C(F)F; Cn1cc(c(n1)C(F)
    F)C(=O)N; NC(=O)c1c(C(F)F)nn(c1)C    		 3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxamide
    39707 UQK 1 C6 H9 N O5 InChI=1S/C6H9NO5/c1-6(2,5
    (11)12)7-3(8)4(9)10/h1-2H
    3,(H,7,8)(H,9,10)(H,11,12
    );
    ISTWWSBLMQHYIQ-UHFFFAOYSA-N    		 CC(C)(NC(=O)C(O)=O)C(O)=O; CC(C)(C(=O)O)
    NC(=O)C(=O)O    		 N-oxalyl-alpha-methylalanine;
    2-(carboxycarbonylamino)-2-methyl-propanoic acid
    39708 UQL
    CHEMBL365751
    ZINC000028526198    		 1 C13 H17 Cl N2 InChI=1S/C13H17ClN2/c1-9-
    11(6-7-16(2)3)12-8-10(14)
    4-5-13(12)15-9/h4-5,8,15H
    ,6-7H2,1-3H3;
    KSYMELKKLOFABL-UHFFFAOYSA-N    		 Cc1c(c2cc(ccc2[nH]1)Cl)CCN(C)C; CN(C)CCc
    1c(C)[nH]c2ccc(Cl)cc12    		 2-(5-chloranyl-2-methyl-1~{H}-indol-3-yl)-N,N-dimethyl-ethanamine;
    ST1936
    39709 UQM
    ZINC000013715694    		 4 C10 H12 N2 O2 InChI=1S/C10H12N2O2/c1-7(
    13)12-9-4-2-8(3-5-9)6-10(
    11)14/h2-5H,6H2,1H3,(H2,1
    1,14)(H,12,13);
    LYRQZGCDFPVILB-UHFFFAOYSA-N    		 NC(Cc1ccc(NC(C)=O)cc1)=O; CC(=O)Nc1ccc(C
    C(N)=O)cc1; CC(=O)Nc1ccc(cc1)CC(=O)N    		 N-[4-(2-amino-2-oxoethyl)phenyl]acetamide
    39710 UQN 1 C16 H12 Br2 N2 InChI=1S/C16H12Br2N2/c1-1
    1-6-7-12(10-15(11)18)20-9
    -8-19-16(20)13-4-2-3-5-14
    (13)17/h2-10H,1H3;
    XGUIZHVZZCDSID-UHFFFAOYSA-N    		 Cc1ccc(cc1Br)n2ccnc2c3ccccc3Br 1-(3-bromanyl-4-methyl-phenyl)-2-(2-bromophenyl)imidazole
    39711 UQO 2 C24 H37 N3 O10 S2 InChI=1S/C24H37N3O10S2/c1
    -15(2)12-18(21(29)26-19(2
    2(30)39(34,35)36)13-16-10
    -11-25-20(16)28)27-23(31)
    37-14-24(3,4)38(32,33)17-
    8-6-5-7-9-17/h5-9,15-16,1
    8-19,22,30H,10-14H2,1-4H3
    ,(H,25,28)(H,26,29)(H,27,
    31)(H,34,35,36)/t16-,18-,
    19-,22-/m0/s1;
    ATVOVJHWVGHVRU-FUOQNJDISA-N    		 CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC(C)(C)S(=O)(=O)c2ccccc2; CC(C
    )C[CH](NC(=O)OCC(C)(C)[S](=O)(=O)c1ccccc
    1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)
    (=O)=O; CC(C)C[C@@H](C(=O)N[C@@H](C[C@@H
    ]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(=O)OCC(
    C)(C)S(=O)(=O)c2ccccc2; CC(C)C[C@H](NC(=
    O)OCC(C)(C)[S](=O)(=O)c1ccccc1)C(=O)N[C@
    @H](C[C@@H]2CCNC2=O)[C@@H](O)[S](O)(=O)=
    O; CC(C)CC(NC(=O)OCC(C)(C)S(=O)(=O)c1ccc
    cc1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O    		 (1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    39712 UQS
    ZINC000035763759    		 6 C10 H10 F N3 InChI=1S/C10H10FN3/c11-10
    -4-2-1-3-8(10)5-12-9-6-13
    -14-7-9/h1-4,6-7,12H,5H2,
    (H,13,14);
    PDSIYANAENEXNZ-UHFFFAOYSA-N    		 c1ccc(c(c1)CNc2c[nH]nc2)F; n2ncc(NCc1ccc
    cc1F)c2; Fc1ccccc1CNc2c[nH]nc2    		 N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine
    39713 UQV
    ZINC000034331250    		 1 C10 H11 N O3 InChI=1S/C10H11NO3/c1-7(1
    2)11-9-5-3-2-4-8(9)6-10(1
    3)14/h2-5H,6H2,1H3,(H,11,
    12)(H,13,14);
    BOEMFEOUVXWWNZ-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1CC(=O)O; c1ccc(CC(=O)O)c(
    NC(C)=O)c1; CC(=O)Nc1ccccc1CC(O)=O    		 [2-(acetylamino)phenyl]acetic acid
    39714 UQW 1 C17 H20 N2 O3 InChI=1S/C17H20N2O3/c1-3-
    15(22-16(20)4-2)17(21)18-
    10-9-12-11-19-14-8-6-5-7-
    13(12)14/h4-8,11,15,19H,2
    -3,9-10H2,1H3,(H,18,21)/t
    15-/m1/s1;
    UWYXREXKBLOKIU-OAHLLOKOSA-N    		 CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C
    =C; CC[C@@H](OC(=O)C=C)C(=O)NCCc1c[nH]c2
    ccccc12; CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC
    (=O)C=C; CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH
    ]c2ccccc12    		 [(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate;
    [(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
    39715 UQX 1 C31 H30 N6 O3 InChI=1S/C31H30N6O3/c1-18
    -6-5-7-19(12-18)13-26(35-
    29(38)20-10-11-24-21(14-2
    0)16-33-36-24)31(40)37-17
    -27-23(15-28(37)30(39)32-
    2)22-8-3-4-9-25(22)34-27/
    h3-12,14,16,26,28,34H,13,
    15,17H2,1-2H3,(H,32,39)(H
    ,33,36)(H,35,38)/t26-,28-
    /m1/s1;
    WOUFYINLHLQZCW-IXCJQBJRSA-N    		 CNC(=O)[C@H]1Cc2c(CN1C(=O)[C@@H](Cc3cccc
    (C)c3)NC(=O)c4ccc5[nH]ncc5c4)[nH]c6ccccc
    26; Cc1cccc(c1)CC(C(=O)N2Cc3c(c4ccccc4[n
    H]3)CC2C(=O)NC)NC(=O)c5ccc6c(c5)cn[nH]6;
    CNC(=O)[CH]1Cc2c(CN1C(=O)[CH](Cc3cccc(C
    )c3)NC(=O)c4ccc5[nH]ncc5c4)[nH]c6ccccc26
    ; CNC(=O)C1Cc2c3ccccc3[NH]c2CN1C(=O)C(Cc
    1cccc(C)c1)NC(=O)c1cc2cn[NH]c2cc1; Cc1cc
    cc(c1)C[C@H](C(=O)N2Cc3c(c4ccccc4[nH]3)C
    [C@@H]2C(=O)NC)NC(=O)c5ccc6c(c5)cn[nH]6    		 (3R)-2-[N-(1H-indazole-5-carbonyl)-3-methyl-D-phenylalanyl]-N-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxamide
    39716 UQY
    ZINC000037869782    		 1 C7 H14 N2 O InChI=1S/C7H14N2O/c1-9-7(
    6(8)10)4-2-3-5-7/h9H,2-5H
    2,1H3,(H2,8,10);
    OESOTMQEPBMDID-UHFFFAOYSA-N    		 CNC1(CCCC1)C(N)=O; CNC1(CCCC1)C(=O)N; NC
    (=O)C1(CCCC1)NC    		 1-(methylamino)cyclopentane-1-carboxamide
    39717 UQZ 1 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c1-3-
    10-24(20(26)4-2)21(16-6-5
    -7-17(25)12-16)22(27)23-1
    3-15-8-9-18-19(11-15)29-1
    4-28-18/h4-9,11-12,21,25H
    ,2-3,10,13-14H2,1H3,(H,23
    ,27)/t21-/m0/s1;
    BMXUYKHPBOFWRQ-NRFANRHFSA-N    		 CCCN([C@@H](c1cccc(c1)O)C(=O)NCc2ccc3c(c
    2)OCO3)C(=O)C=C; CCCN([C@H](C(=O)NCc1ccc
    2OCOc2c1)c3cccc(O)c3)C(=O)C=C; CCCN(C(c1
    cccc(c1)O)C(=O)NCc2ccc3c(c2)OCO3)C(=O)C=
    C; CCCN([CH](C(=O)NCc1ccc2OCOc2c1)c3cccc
    (O)c3)C(=O)C=C    		 ~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide
    39718 UR0 2 C19 H18 O3 InChI=1S/C19H18O3/c20-17(
    10-7-16-8-13-19(22)14-9-1
    6)4-2-1-3-15-5-11-18(21)1
    2-6-15/h1,3,5-14,21-22H,2
    ,4H2/b3-1+,10-7+;
    DWQICWYCQTTXLU-JKYUJIBQSA-N    		 c1cc(ccc1C=CCCC(=O)C=Cc2ccc(cc2)O)O; c1c
    c(ccc1/C=C/CCC(=O)/C=C/c2ccc(cc2)O)O; Oc
    1ccc(C=CCCC(=O)C=Cc2ccc(O)cc2)cc1; Oc1cc
    c(/C=C/CCC(=O)\C=C\c2ccc(O)cc2)cc1    		 1,7-bis(4-hydroxyphenyl)hepta-1,6-dien-3-one
    39719 UR1
    ZINC000074942597    		 8 C7 H8 F N O2 S InChI=1S/C7H8FNO2S/c1-5-2
    -6(8)4-7(3-5)12(9,10)11/h
    2-4H,1H3,(H2,9,10,11);
    RMTMZIARFLDIKQ-UHFFFAOYSA-N    		 Cc1cc(F)cc(c1)[S](N)(=O)=O; Cc1cc(cc(c1)
    S(=O)(=O)N)F; c1c(S(N)(=O)=O)cc(C)cc1F    		 3-fluoro-5-methylbenzene-1-sulfonamide
    39720 UR2
    CHEMBL420910
    DB01773
    ZINC000014880066    		 1 C25 H38 N3 O10 P InChI=1S/C25H38N3O10P/c1-
    27(15-5-8-18-6-3-2-4-7-18
    )24(33)21(13-14-22(29)30)
    26-25(34)28(17-23(31)32)1
    6-19-9-11-20(12-10-19)38-
    39(35,36)37/h9-12,18,21H,
    2-8,13-17H2,1H3,(H,26,34)
    (H,29,30)(H,31,32)(H2,35,
    36,37)/t21-/m0/s1;
    JSBQUMXQEBZYPW-NRFANRHFSA-N    		 CN(CCCC1CCCCC1)C(=O)[CH](CCC(O)=O)NC(=O)
    N(CC(O)=O)Cc2ccc(O[P](O)(O)=O)cc2; CN(CC
    CC1CCCCC1)C(=O)C(CCC(=O)O)NC(=O)N(Cc2ccc
    (cc2)OP(=O)(O)O)CC(=O)O; CN(CCCC1CCCCC1)
    C(=O)[C@H](CCC(=O)O)NC(=O)N(Cc2ccc(cc2)O
    P(=O)(O)O)CC(=O)O; CN(CCCC1CCCCC1)C(=O)[
    C@H](CCC(O)=O)NC(=O)N(CC(O)=O)Cc2ccc(O[P
    ](O)(O)=O)cc2; O=P(O)(O)Oc1ccc(cc1)CN(C(
    =O)NC(C(=O)N(CCCC2CCCCC2)C)CCC(=O)O)CC(=
    O)O    		 4-[3-CARBOXYMETHYL-3-(4-PHOSPHONOOXY-BENZYL)-UREIDO]-4-[(3-CYCLOHEXYL-PROPYL)-METHYL-CARBAMOYL]BUTYRIC ACID
    39721 UR3
    CHEMBL215940
    ZINC000013517711    		 0 C10 H15 N2 O9 P InChI=1S/C10H15N2O9P/c1-1
    1-6(13)2-3-12(10(11)16)9-
    8(15)7(14)5(21-9)4-20-22(
    17,18)19/h2-3,5,7-9,14-15
    H,4H2,1H3,(H2,17,18,19)/t
    5-,7-,8-,9-/m1/s1;
    KZSHODFDDQCIMT-ZOQUXTDFSA-N    		 CN1C(=O)C=CN([C@@H]2O[C@H](CO[P](O)(O)=O
    )[C@@H](O)[C@H]2O)C1=O; O=P(O)(O)OCC2OC(
    N1C(=O)N(C(=O)C=C1)C)C(O)C2O; CN1C(=O)C=
    CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP
    (=O)(O)O)O)O; CN1C(=O)C=CN([CH]2O[CH](CO
    [P](O)(O)=O)[CH](O)[CH]2O)C1=O; CN1C(=O)
    C=CN(C1=O)C2C(C(C(O2)COP(=O)(O)O)O)O    		 3-METHYLURIDINE-5'-MONOPHOSHATE
    39722 UR4
    ZINC000000355189    		 2 C12 H12 N2 O2 S InChI=1S/C12H12N2O2S/c1-1
    6-7-11(15)14-12-13-10(8-1
    7-12)9-5-3-2-4-6-9/h2-6,8
    H,7H2,1H3,(H,13,14,15);
    ZSDPCJILFHMGQO-UHFFFAOYSA-N    		 COCC(=O)Nc1scc(n1)c2ccccc2; COCC(=O)Nc1n
    c(cs1)c2ccccc2; n1c(csc1NC(COC)=O)c2cccc
    c2    		 2-methoxy-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
    39723 UR5
    CHEMBL133337
    ZINC000007992849    		 3 C6 H8 N2 O4 InChI=1S/C6H8N2O4/c9-5-2-
    1-7-3(6(10)11)4(2)12-8-5/
    h2-4,7H,1H2,(H,8,9)(H,10,
    11)/t2-,3-,4-/m0/s1;
    IOOKKDXVJPSSSC-HZLVTQRSSA-N    		 C1C2C(C(N1)C(=O)O)ONC2=O; OC(=O)[C@H]1NC
    [C@H]2[C@@H]1ONC2=O; C1[C@H]2[C@@H]([C@H
    ](N1)C(=O)O)ONC2=O; OC(=O)[CH]1NC[CH]2[C
    H]1ONC2=O    		 (+)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid;
    (3~{a}~{S},6~{S},6~{a}~{S})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
    39724 UR7
    ZINC000082503857    		 5 C8 H10 F N O2 S InChI=1S/C8H10FNO2S/c1-6-
    2-3-7(4-8(6)9)5-13(10,11)
    12/h2-4H,5H2,1H3,(H2,10,1
    1,12);
    BRGBJOARAPZJCN-UHFFFAOYSA-N    		 Cc1ccc(cc1F)CS(=O)(=O)N; Cc1ccc(C[S](N)(
    =O)=O)cc1F; c1(cc(F)c(C)cc1)CS(N)(=O)=O    		 1-(3-fluoro-4-methylphenyl)methanesulfonamide
    39725 UR8
    ZINC000096330722    		 3 C6 H8 N2 O4 InChI=1S/C6H8N2O4/c9-5-2-
    1-7-3(6(10)11)4(2)12-8-5/
    h2-4,7H,1H2,(H,8,9)(H,10,
    11)/t2-,3-,4-/m1/s1;
    IOOKKDXVJPSSSC-BXXZVTAOSA-N    		 C1[C@@H]2[C@H]([C@@H](N1)C(=O)O)ONC2=O;
    OC(=O)[C@@H]1NC[C@@H]2[C@H]1ONC2=O; C1C2
    C(C(N1)C(=O)O)ONC2=O; OC(=O)[CH]1NC[CH]2
    [CH]1ONC2=O    		 (-)-3-Hydroxy-4,5,6,6a-tetrahydro-3aH-pyrrolo[3,4-d]isoxazole-6-carboxylic acid;
    (3~{a}~{R},6~{R},6~{a}~{R})-3-oxidanylidene-4,5,6,6~{a}-tetrahydro-3~{a}~{H}-pyrrolo[3,4-d][1,2]oxazole-6-carboxylic acid
    39726 UR9 1 C5 H6 O4 InChI=1S/C5H6O4/c1-9-5(8)
    3-2-4(6)7/h2-3H,1H3,(H,6,
    7)/b3-2+;
    NKHAVTQWNUWKEO-NSCUHMNNSA-N    		 COC(=O)C=CC(=O)O; COC(=O)/C=C/C(=O)O; CO
    C(=O)\C=C\C(O)=O; COC(=O)C=CC(O)=O    		 Monomethyl fumarate;
    (E)-4-methoxy-4-oxidanylidene-but-2-enoic acid
    39727 URA
    CHEMBL566
    DB03419
    ZINC000000895045    		 182 C4 H4 N2 O2 InChI=1S/C4H4N2O2/c7-3-1-
    2-5-4(8)6-3/h1-2H,(H2,5,6
    ,7,8);
    ISAKRJDGNUQOIC-UHFFFAOYSA-N    		 O=C1NC=CC(=O)N1; O=C1C=CNC(=O)N1; C1=CNC
    (=O)NC1=O    		 URACIL
    39728 URB
    CHEMBL144730
    ZINC000000967318    		 1 C4 H3 Br N2 O2 InChI=1S/C4H3BrN2O2/c5-2-
    1-6-4(9)7-3(2)8/h1H,(H2,6
    ,7,8,9);
    LQLQRFGHAALLLE-UHFFFAOYSA-N    		 BrC1=CNC(=O)NC1=O; C1=C(C(=O)NC(=O)N1)Br 5-bromopyrimidine-2,4(1H,3H)-dione;
    5-bromouracil
    39729 URC
    CHEMBL792
    DB08844
    ZINC000002041003    		 73 C5 H4 N4 O3 InChI=1S/C5H4N4O3/c10-3-1
    -2(7-4(11)6-1)8-5(12)9-3/
    h(H4,6,7,8,9,10,11,12);
    LEHOTFFKMJEONL-UHFFFAOYSA-N    		 O=C1NC(=O)C2=C(N1)NC(=O)N2; C12=C(NC(=O)
    N1)NC(=O)NC2=O; O=C1C2=C(NC(=O)N1)NC(=O)
    N2    		 URIC ACID;
    7,9-DIHYDRO-1H-PURINE-2,6,8(3H)-TRIONE
    39730 URD 8 C10 H13 N O6 InChI=1S/C10H13NO6/c12-4-
    6-8(15)9(16)10(17-6)11-2-
    1-5(13)3-7(11)14/h1-2,6,8
    -10,12,15-16H,3-4H2/t6-,8
    -,9-,10-/m1/s1;
    WIRVQQCUKDPURA-PEBGCTIMSA-N    		 C1C(=O)C=CN(C1=O)C2C(C(C(O2)CO)O)O; C1C(
    =O)C=CN(C1=O)[C@H]2[C@@H]([C@@H]([C@H](O
    2)CO)O)O; O=C1C=CN(C(=O)C1)C2OC(C(O)C2O)
    CO; OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O
    )CC2=O; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    N2C=CC(=O)CC2=O    		 1-((2R,3R,4S,5R)-TETRAHYDRO-3,4-DIHYDROXY-5-(HYDROXYMETHYL)FURAN-2-YL)PYRIDINE-2,4(1H,3H)-DIONE;
    3-DEAZAURIDINE
    39731 URE
    CHEMBL985
    DB03904
    ZINC000008214514    		 62 C H4 N2 O InChI=1S/CH4N2O/c2-1(3)4/
    h(H4,2,3,4);
    XSQUKJJJFZCRTK-UHFFFAOYSA-N    		 C(=O)(N)N; NC(N)=O; O=C(N)N UREA
    39732 URF
    CHEMBL185
    DB00544
    ZINC000038212689    		 61 C4 H3 F N2 O2 InChI=1S/C4H3FN2O2/c5-2-1
    -6-4(9)7-3(2)8/h1H,(H2,6,
    7,8,9);
    GHASVSINZRGABV-UHFFFAOYSA-N    		 C1=C(C(=O)NC(=O)N1)F; FC1=CNC(=O)NC1=O 5-FLUOROURACIL
    39733 URH 1 C21 H18 N2 O4 S InChI=1S/C21H18N2O4S/c22-
    28(26,27)19-12-10-18(11-1
    3-19)21(25)23-14-15-6-8-1
    7(9-7-15)20(24)16-4-2-1-3
    -5-16/h1-13H,14H2,(H,23,2
    5)(H2,22,26,27);
    DCTGUISEDAHGJU-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)c2ccc(cc2)CNC(=O)c3ccc(cc
    3)S(=O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O
    )NCc2ccc(cc2)C(=O)c3ccccc3    		 ~{N}-[[4-(phenylcarbonyl)phenyl]methyl]-4-sulfamoyl-benzamide
    39734 URI
    CHEMBL100259
    DB02745
    ZINC000002583633    		 136 C9 H12 N2 O6 InChI=1S/C9H12N2O6/c12-3-
    4-6(14)7(15)8(17-4)11-2-1
    -5(13)10-9(11)16/h1-2,4,6
    -8,12,14-15H,3H2,(H,10,13
    ,16)/t4-,6-,7-,8-/m1/s1;
    DRTQHJPVMGBUCF-XVFCMESISA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=O)NC2
    =O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]
    ([C@H](O2)CO)O)O; O=C1NC(=O)N(C=C1)C2OC(
    C(O)C2O)CO; C1=CN(C(=O)NC1=O)C2C(C(C(O2)
    CO)O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    N2C=CC(=O)NC2=O    		 URIDINE
    39735 URJ
    CHEMBL4859249    		 2 C23 H22 F N5 O InChI=1S/C23H22FN5O/c1-15
    -25-13-10-21(26-15)29-14-
    2-3-18-19(29)8-9-20(27-18
    )23(11-12-23)28-22(30)16-
    4-6-17(24)7-5-16/h4-10,13
    H,2-3,11-12,14H2,1H3,(H,2
    8,30);
    KKAMMYSFTPLTDH-UHFFFAOYSA-N    		 c5(ccc(C(=O)NC1(CC1)c2ccc3c(n2)CCCN3c4cc
    nc(n4)C)cc5)F; Cc1nccc(n1)N2CCCc3c2ccc(n
    3)C4(CC4)NC(=O)c5ccc(cc5)F; Cc1nccc(n1)N
    2CCCc3nc(ccc23)C4(CC4)NC(=O)c5ccc(F)cc5    		 4-fluoro-N-{1-[5-(2-methylpyrimidin-4-yl)-5,6,7,8-tetrahydro-1,5-naphthyridin-2-yl]cyclopropyl}benzamide
    39736 URK 1 C20 H20 N2 O7 InChI=1S/C20H20N2O7/c1-4-
    17(23)29-19(13-8-10-15(11
    -9-13)22(25)26)20(24)21-1
    2-14-6-5-7-16(27-2)18(14)
    28-3/h4-11,19H,1,12H2,2-3
    H3,(H,21,24)/t19-/m0/s1;
    KRUSHXMEHBIKCV-IBGZPJMESA-N    		 COc1cccc(c1OC)CNC(=O)[C@H](c2ccc(cc2)[N+
    ](=O)[O-])OC(=O)C=C; COc1cccc(CNC(=O)[CH
    ](OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC;
    COc1cccc(c1OC)CNC(=O)C(c2ccc(cc2)[N+](=
    O)[O-])OC(=O)C=C; COc1cccc(CNC(=O)[C@@H]
    (OC(=O)C=C)c2ccc(cc2)[N+]([O-])=O)c1OC    		 [(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate;
    [(1~{S})-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate;
    FSP006
    39737 URL 0 C7 H16 N2 O2 InChI=1S/C7H16N2O2/c1-5(2
    )3-6(8)4-9-7(10)11/h5-6,9
    H,3-4,8H2,1-2H3,(H,10,11)
    /t6-/m0/s1;
    MUXHOSWJKVCQIF-LURJTMIESA-N    		 CC(C)CC(CNC(=O)O)N; CC(C)C[C@@H](CNC(=O)
    O)N; CC(C)C[C@H](N)CNC(O)=O; CC(C)C[CH](
    N)CNC(O)=O    		 [(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
    39738 URM
    ZINC000064436301    		 7 C16 H26 N2 O16 P2 InChI=1S/C16H26N2O16P2/c1
    9-3-6-10(21)13(24)12(23)8
    (32-6)5-35(27,28)34-36(29
    ,30)31-4-7-11(22)14(25)15
    (33-7)18-2-1-9(20)17-16(1
    8)26/h1-2,6-8,10-15,19,21
    -25H,3-5H2,(H,27,28)(H,29
    ,30)(H,17,20,26)/t6-,7-,8
    -,10+,11-,12+,13+,14-,15-
    /m1/s1;
    WUPLBUVQIJIOHV-PPSAJGQHSA-N    		 OC[CH]1O[CH](C[P](O)(=O)O[P](O)(=O)OC[CH
    ]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[C
    H](O)[CH](O)[CH]1O; OC[C@H]1O[C@H](C[P](
    O)(=O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)
    [C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O)[C@@H](
    O)[C@H]1O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)C
    OP(=O)(O)OP(=O)(CC3C(C(C(C(O3)CO)O)O)O)O
    )O)O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@
    H]([C@H](O2)CO[P@@](=O)(O)O[P@@](=O)(C[C
    @@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)O)
    O)O)O)O    		 (((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)methyl)phosphonic (((2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl)methyl phosphoric) anhydride;
    Uridine diphospho methylene galactopyranose
    39739 URN
    CHEMBL34076
    DB03826
    ZINC000001666585    		 7 C4 H6 N4 O2 InChI=1S/C4H6N4O2/c5-1-2(
    6)7-4(10)8-3(1)9/h5H2,(H4
    ,6,7,8,9,10);
    BBTNLADSUVOPPN-UHFFFAOYSA-N    		 O=C1NC(N)=C(N)C(=O)N1; NC1=C(N)C(=O)NC(=
    O)N1; C1(=C(NC(=O)NC1=O)N)N    		 5,6-DIAMINOPYRIMIDINE-2,4(1H,3H)-DIONE;
    5,6-DIAMINOURACIL
    39740 URO
    CHEMBL1236602
    DB01971
    ZINC000034633903    		 6 C6 H6 N2 O2 InChI=1S/C6H6N2O2/c9-6(10
    )2-1-5-3-7-4-8-5/h1-4H,(H
    ,7,8)(H,9,10)/b2-1+;
    LOIYMIARKYCTBW-OWOJBTEDSA-N    		 OC(=O)C=Cc1c[nH]cn1; O=C(O)\C=C\c1ncnc1;
    OC(=O)\C=C\c1c[nH]cn1; c1c(nc[nH]1)C=CC
    (=O)O    		 (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID
    39741 URP
    CHEMBL20962
    ZINC000082071923    		 26 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c5-4(9)
    6-2-1-3(7)8/h1-2H2,(H,7,8
    )(H3,5,6,9);
    JSJWCHRYRHKBBW-UHFFFAOYSA-N    		 O=C(O)CCNC(=O)N; C(CNC(=O)N)C(=O)O; NC(=
    O)NCCC(O)=O    		 N-(AMINOCARBONYL)-BETA-ALANINE;
    N-CARBAMYL-BETA-ALANINE;
    BETA-UREIDOPROPIONATE
    39742 URQ
    ZINC000094437770    		 1 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c1-3(4
    (8)9)2-7-5(6)10/h3H,2H2,1
    H3,(H,8,9)(H3,6,7,10)/t3-
    /m0/s1;
    PHENTZNALBMCQD-VKHMYHEASA-N    		 C[CH](CNC(N)=O)C(O)=O; O=C(NCC(C(=O)O)C)
    N; CC(CNC(=O)N)C(=O)O; C[C@@H](CNC(=O)N)
    C(=O)O; C[C@@H](CNC(N)=O)C(O)=O    		 (2S)-3-(carbamoylamino)-2-methylpropanoic acid
    39743 URR 4 C24 H37 N3 O9 S2 InChI=1S/C24H37N3O9S2/c1-
    15(2)12-18(27-23(31)36-14
    -24(3,4)37(32)17-8-6-5-7-
    9-17)21(29)26-19(22(30)38
    (33,34)35)13-16-10-11-25-
    20(16)28/h5-9,15-16,18-19
    ,22,30H,10-14H2,1-4H3,(H,
    25,28)(H,26,29)(H,27,31)(
    H,33,34,35)/t16-,18-,19-,
    22-,37?/m0/s1;
    SNFBJKJTJOFDKW-JGGWQLOYSA-N    		 CC(C)C[CH](NC(=O)OCC(C)(C)[S](=O)c1ccccc
    1)C(=O)N[CH](C[CH]2CCNC2=O)[CH](O)[S](O)
    (=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O)C(O)S
    (=O)(=O)O)NC(=O)OCC(C)(C)S(=O)c2ccccc2;
    CC(C)C[C@H](NC(=O)OCC(C)(C)[S](=O)c1cccc
    c1)C(=O)N[C@@H](C[C@@H]2CCNC2=O)[C@@H](O
    )[S](O)(=O)=O; CC(C)C[C@@H](C(=O)N[C@@H]
    (C[C@@H]1CCNC1=O)[C@@H](O)S(=O)(=O)O)NC(
    =O)OCC(C)(C)S(=O)c2ccccc2; CC(C)CC(NC(=O
    )OCC(C)(C)S(=O)c1ccccc1)C(=O)NC(CC1CCNC1
    =O)C(O)S(=O)(=O)O    		 N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide
    39744 URS
    CHEMBL263376
    DB03694
    ZINC000003875720    		 11 C7 H8 N2 S InChI=1S/C7H8N2S/c8-7(10)
    9-6-4-2-1-3-5-6/h1-5H,(H3
    ,8,9,10);
    FULZLIGZKMKICU-UHFFFAOYSA-N    		 NC(=S)Nc1ccccc1; S=C(Nc1ccccc1)N; c1ccc(
    cc1)NC(=S)N    		 N-PHENYLTHIOUREA
    39745 URT
    CHEMBL252036
    ZINC000029039067    		 0 C10 H11 F N5 O5 P InChI=1S/C10H11FN5O5P/c11
    -5-1-6(20-4-22(17,18)19)2
    1-10(5)16-3-15-7-8(12)13-
    2-14-9(7)16/h1-3,6,10H,4H
    2,(H2,12,13,14)(H2,17,18,
    19)/t6-,10+/m0/s1;
    MPSGQQOHTJUJKB-QUBYGPBYSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](OC[P](O)(O)=O
    )C=C3F; c1nc(c2c(n1)n(cn2)[C@H]3C(=C[C@H
    ](O3)OCP(=O)(O)O)F)N; c1nc(c2c(n1)n(cn2)
    C3C(=CC(O3)OCP(=O)(O)O)F)N; Nc1ncnc2n(cn
    c12)[C@@H]3O[C@H](OC[P](O)(O)=O)C=C3F    		 ({[(2R,5R)-5-(6-amino-9H-purin-9-yl)-4-fluoro-2,5-dihydrofuran-2-yl]oxy}methyl)phosphonic acid
    39746 URU
    ZINC000098209510    		 0 C20 H26 N5 O14 P InChI=1S/C20H26N5O14P/c26
    -11-1-3-24(19(32)22-11)17
    -14(29)8(10(39-17)7-37-40
    (34,35)36)5-13(28)21-6-9-
    15(30)16(31)18(38-9)25-4-
    2-12(27)23-20(25)33/h1-4,
    8-10,14-18,29-31H,5-7H2,(
    H,21,28)(H,22,26,32)(H,23
    ,27,33)(H2,34,35,36)/t8-,
    9-,10-,14-,15-,16-,17-,18
    -/m1/s1;
    WKTKVGCYUSOTBH-VKGBBMGNSA-N    		 O=P(O)(O)OCC2OC(N1C=CC(=O)NC1=O)C(O)C2CC
    (=O)NCC4OC(N3C(=O)NC(=O)C=C3)C(O)C4O; C1
    =CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)CC
    (=O)NCC3C(C(C(O3)N4C=CC(=O)NC4=O)O)O)O;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)O)CC(=O)NC[C@@H]3[C@H]([
    C@H]([C@@H](O3)N4C=CC(=O)NC4=O)O)O)O; O[
    CH]1[CH](O)[CH](O[CH]1CNC(=O)C[CH]2[CH](
    O)[CH](O[CH]2CO[P](O)(O)=O)N3C=CC(=O)NC3
    =O)N4C=CC(=O)NC4=O; O[C@H]1[C@@H](O)[C@@
    H](O[C@@H]1CNC(=O)C[C@H]2[C@@H](O)[C@@H]
    (O[C@@H]2CO[P](O)(O)=O)N3C=CC(=O)NC3=O)N
    4C=CC(=O)NC4=O
    39747 URV 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c1-4(2
    )5(7)3-8-6(9)10/h4-5,8H,3
    ,7H2,1-2H3,(H,9,10)/t5-/m
    1/s1;
    UNYZFPNKGAAKMS-RXMQYKEDSA-N    		 CC(C)[C@@H](CNC(=O)O)N; CC(C)C(CNC(=O)O)
    N; CC(C)[CH](N)CNC(O)=O; CC(C)[C@H](N)CN
    C(O)=O    		 [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
    39748 URW 1 C26 H24 F2 N6 O5 InChI=1S/C26H24F2N6O5/c1-
    14(23(36)30-2)34(13-17-5-
    3-4-6-20(17)39-26(27)28)2
    4(37)19-10-31-22(32-19)25
    (38)33-11-16-8-7-15(21(29
    )35)9-18(16)12-33/h3-12,1
    4,26H,13H2,1-2H3,(H2,29,3
    5)(H,30,36)(H,31,32)/t14-
    /m1/s1;
    QTSQRRSNHSLXPH-CQSZACIVSA-N    		 CNC(=O)[C@@H](C)N(Cc1ccccc1OC(F)F)C(=O)c
    2[nH]c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O; C
    [C@H](C(=O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2c
    nc([nH]2)C(=O)n3cc4ccc(cc4c3)C(=O)N; CNC
    (=O)[CH](C)N(Cc1ccccc1OC(F)F)C(=O)c2[nH]
    c(nc2)C(=O)n3cc4ccc(cc4c3)C(N)=O; CC(C(=
    O)NC)N(Cc1ccccc1OC(F)F)C(=O)c2cnc([nH]2)
    C(=O)n3cc4ccc(cc4c3)C(=O)N    		 2-[[5-[[2-[bis(fluoranyl)methoxy]phenyl]methyl-[(2~{R})-1-(methylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-1~{H}-imidazol-2-yl]carbonyl]isoindole-5-carboxamide
    39749 URX
    ZINC000064436734    		 0 C12 H17 N2 O8 P InChI=1S/C12H17N2O8P/c1-6
    -4-12(5-21-23(18,19)20)9(
    16)8(6)10(22-12)14-3-2-7(
    15)13-11(14)17/h2-3,6,8-1
    0,16H,4-5H2,1H3,(H,13,15,
    17)(H2,18,19,20)/t6-,8-,9
    +,10-,12-/m1/s1;
    BIKPERMTZJFCSY-VOLLVAIWSA-N    		 C[CH]1C[C]2(CO[P](O)(O)=O)O[CH]([CH]1[CH
    ]2O)N3C=CC(=O)NC3=O; C[C@@H]1C[C@]2(CO[P
    ](O)(O)=O)O[C@H]([C@H]1[C@@H]2O)N3C=CC(=
    O)NC3=O; CC1CC2(C(C1C(O2)N3C=CC(=O)NC3=O
    )O)COP(=O)(O)O; C[C@@H]1C[C@]2([C@H]([C@
    @H]1[C@@H](O2)N3C=CC(=O)NC3=O)O)COP(=O)(
    O)O; O=P(O)(O)OCC23OC(N1C(=O)NC(=O)C=C1)
    C(C(C2)C)C3O    		 [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-7-hydroxy-5-methyl-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    39750 URY 0 C22 H23 N5 O2 InChI=1S/C22H23N5O2/c28-2
    1(29)8-12-24-19-15-20(26-
    22(25-19)18-7-3-4-11-23-1
    8)27-13-9-16-5-1-2-6-17(1
    6)10-14-27/h1-7,11,15H,8-
    10,12-14H2,(H,28,29)(H,24
    ,25,26);
    AVZCPICCWKMZDT-UHFFFAOYSA-N    		 OC(=O)CCNc1cc(nc(n1)c2ccccn2)N3CCc4ccccc
    4CC3; C(O)(=O)CCNc3nc(nc(N2CCc1ccccc1CC2
    )c3)c4ncccc4; c1ccc2c(c1)CCN(CC2)c3cc(nc
    (n3)c4ccccn4)NCCC(=O)O    		 3-[[2-pyridin-2-yl-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoic acid
    39751 US0 1 C16 H17 F2 N5 O2 InChI=1S/C16H17F2N5O2/c17
    -10-5-9(6-11(18)7-10)15(2
    4)22-13-8-20-23-14(13)16(
    25)21-12-1-3-19-4-2-12/h5
    -8,12,19H,1-4H2,(H,20,23)
    (H,21,25)(H,22,24);
    NIHAFOURWLZLFN-UHFFFAOYSA-N    		 c1c(cc(cc1F)F)C(=O)Nc2c[nH]nc2C(=O)NC3CC
    NCC3; Fc1cc(F)cc(c1)C(=O)Nc2c[nH]nc2C(=O
    )NC3CCNCC3    		 4-[[3,5-bis(fluoranyl)phenyl]carbonylamino]-~{N}-piperidin-4-yl-1~{H}-pyrazole-3-carboxamide
    39752 US1
    ZINC000058649559    		 0 C9 H13 N2 O7 P S InChI=1S/C9H13N2O7PS/c12-
    7-1-2-11(9(13)10-7)8-3-6(
    20)5(18-8)4-17-19(14,15)1
    6/h1-2,5-6,8,20H,3-4H2,(H
    ,10,12,13)(H2,14,15,16)/t
    5-,6+,8-/m1/s1;
    ITHXZXHCSXJEIA-GKROBHDKSA-N    		 C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO
    P(=O)(O)O)S; O[P](O)(=O)OC[CH]1O[CH](C[C
    H]1S)N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C
    2OC(C(S)C2)COP(=O)(O)O; C1C(C(OC1N2C=CC(
    =O)NC2=O)COP(=O)(O)O)S; O[P](O)(=O)OC[C@
    H]1O[C@H](C[C@@H]1S)N2C=CC(=O)NC2=O    		 2'-DEOXY-3'-THIOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
    39753 US2
    ZINC000058649560    		 0 C10 H15 N2 O8 P S InChI=1S/C10H15N2O8PS/c1-
    22-7-3-12(10(15)11-9(7)14
    )8-2-5(13)6(20-8)4-19-21(
    16,17)18/h3,5-6,8,13H,2,4
    H2,1H3,(H,11,14,15)(H2,16
    ,17,18)/t5-,6+,8+/m0/s1;
    BUQRVGJBJMBTPN-SHYZEUOFSA-N    		 CSC1=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)
    O2)C(=O)NC1=O; CSC1=CN(C(=O)NC1=O)[C@H]2
    C[C@@H]([C@H](O2)COP(=O)(O)O)O; CSC1=CN(
    C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)O)O; O=C1
    NC(=O)N(C=C1SC)C2OC(C(O)C2)COP(=O)(O)O;
    CSC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O
    )=O)O2)C(=O)NC1=O    		 2'-deoxy-5-(methylsulfanyl)uridine 5'-(dihydrogen phosphate);
    5-SMe-deoxyuridine-5'-phosphate
    39754 US3 0 C10 H15 N2 O7 P Se InChI=1S/C10H15N2O7PSe/c1
    -5-3-12(10(21)11-9(5)14)8
    -2-6(13)7(19-8)4-18-20(15
    ,16)17/h3,6-8,13H,2,4H2,1
    H3,(H,11,14,21)(H2,15,16,
    17)/t6-,7+,8+/m0/s1;
    NJOAZAGHIQNDNL-XLPZGREQSA-N    		 CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P](O)(O)
    =O)O2)C(=NC1=O)[SeH]; CC1=CN(C(=NC1=O)[S
    eH])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O
    ; CC1=CN(C(=NC1=O)[SeH])C2CC(C(O2)COP(=O
    )(O)O)O; CC1=CN([CH]2C[CH](O)[CH](CO[P](
    O)(O)=O)O2)C(=NC1=O)[SeH]; O=P(O)(O)OCC2
    OC(N1C(=NC(=O)C(=C1)C)[SeH])CC2O    		 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methyl-2-selanylpyrimidin-4(1H)-one;
    2-Se-Thymidine-5'-phosphate
    39755 US4
    ZINC000058649563    		 0 C21 H28 N7 O11 P InChI=1S/C21H28N7O11P/c1-
    10-4-27(21(31)26-20(10)30
    )16-3-12(14(39-16)6-37-40
    (32,33)34)36-9-35-5-13-11
    (29)2-15(38-13)28-8-25-17
    -18(22)23-7-24-19(17)28/h
    4,7-8,11-16,29H,2-3,5-6,9
    H2,1H3,(H2,22,23,24)(H,26
    ,30,31)(H2,32,33,34)/t11-
    ,12-,13+,14+,15+,16+/m0/s
    1;
    KEPSJDYQWMTMPP-KPRKPIBOSA-N    		 CC1=CN([C@H]2C[C@H](OCOC[C@H]3O[C@H](C[C
    @@H]3O)n4cnc5c(N)ncnc45)[C@@H](CO[P](O)(
    O)=O)O2)C(=O)NC1=O; O=C1C(=CN(C(=O)N1)C5
    OC(COP(=O)(O)O)C(OCOCC4OC(n3cnc2c(ncnc23
    )N)CC4O)C5)C; CC1=CN(C(=O)NC1=O)[C@H]2C[
    C@@H]([C@H](O2)COP(=O)(O)O)OCOC[C@@H]3[C
    @H](C[C@@H](O3)n4cnc5c4ncnc5N)O; CC1=CN(
    [CH]2C[CH](OCOC[CH]3O[CH](C[CH]3O)n4cnc5
    c(N)ncnc45)[CH](CO[P](O)(O)=O)O2)C(=O)NC
    1=O; CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)
    (O)O)OCOCC3C(CC(O3)n4cnc5c4ncnc5N)O    		 [(2R,3S,5R)-3-({[(2R,3S,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxytetrahydrofuran-2-yl]methoxy}methoxy)-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen phosphate
    39756 US5 0 C9 H13 N2 O8 P Se InChI=1S/C9H13N2O8PSe/c12
    -6-4(3-18-20(15,16)17)19-
    8(7(6)13)11-2-1-5(21)10-9
    (11)14/h1-2,4,6-8,12-13H,
    3H2,(H,10,14,21)(H2,15,16
    ,17)/t4-,6-,7-,8-/m1/s1;
    ZCQCFKOZDRTETH-XVFCMESISA-N    		 O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C=CC(=NC2=O)[SeH]; C1=CN(C(=O)N=C
    1[SeH])C2C(C(C(O2)COP(=O)(O)O)O)O; O[CH]
    1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(
    =NC2=O)[SeH]; O=P(O)(O)OCC2OC(N1C(=O)N=C
    ([SeH])C=C1)C(O)C2O; C1=CN(C(=O)N=C1[SeH
    ])[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O
    )O)O)O    		 1-(5-O-phosphono-beta-D-ribofuranosyl)-4-selanylpyrimidin-2(1H)-one;
    4-Se-ribouridine-5'-phosphate
    39757 US7
    CHEMBL4543970
    ZINC000000154150    		 4 C11 H16 N2 O2 S InChI=1S/C11H16N2O2S/c1-1
    6(14,15)11-4-2-10(3-5-11)
    13-8-6-12-7-9-13/h2-5,12H
    ,6-9H2,1H3;
    KNQFDOLIXOOIGX-UHFFFAOYSA-N    		 N2CCN(c1ccc(S(=O)(C)=O)cc1)CC2; C[S](=O)
    (=O)c1ccc(cc1)N2CCNCC2; CS(=O)(=O)c1ccc(
    cc1)N2CCNCC2    		 1-[4-(methylsulfonyl)phenyl]piperazine
    39758 US8 1 C16 H16 N2 O2 S InChI=1S/C16H16N2O2S/c1-1
    0(19)17-16-13(15(20)18-12
    -7-8-12)9-14(21-16)11-5-3
    -2-4-6-11/h2-6,9,12H,7-8H
    2,1H3,(H,17,19)(H,18,20);
    XGQYGJKFUOSIIU-UHFFFAOYSA-N    		 CC(=O)Nc1c(cc(s1)c2ccccc2)C(=O)NC3CC3; C
    C(=O)Nc1sc(cc1C(=O)NC2CC2)c3ccccc3    		 2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide;
    2-acetamido-~{N}-cyclopropyl-5-phenyl-thiophene-3-carboxamide
    39759 US9
    ZINC000058024625    		 8 C15 H19 F3 N2 O4 S InChI=1S/C15H19F3N2O4S/c1
    -2-25(22,23)20-9-3-4-11(1
    0-20)14(21)19-12-5-7-13(8
    -6-12)24-15(16,17)18/h5-8
    ,11H,2-4,9-10H2,1H3,(H,19
    ,21)/t11-/m1/s1;
    BPAOPEQELJCSLA-LLVKDONJSA-N    		 CCS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(cc2
    )OC(F)(F)F; CC[S](=O)(=O)N1CCC[C@H](C1)C
    (=O)Nc2ccc(OC(F)(F)F)cc2; CC[S](=O)(=O)N
    1CCC[CH](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2; O
    =S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)
    F)cc1; CCS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(
    cc2)OC(F)(F)F    		 (3R)-1-(ethanesulfonyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-3-carboxamide
    39760 USA 1 C4 H5 N3 InChI=1S/C4H5N3/c5-3-4-6-
    1-2-7-4/h1-3,5H,(H,6,7)/b
    5-3+;
    CWGOCYXTOJEBFI-HWKANZROSA-N    		 n1ccnc1/C=N; [H]/N=C/c1[nH]ccn1; c1cnc([
    nH]1)C=N; N=Cc1[nH]ccn1    		 (E)-1-(1H-imidazol-2-yl)methanimine
    39761 USB 4 C16 H25 N6 O8 P InChI=1S/C16H25N6O8P/c1-7
    (2)3-8(17)16(25)30-31(26,
    27)28-4-9-11(23)12(24)15(
    29-9)22-6-21-10-13(18)19-
    5-20-14(10)22/h5-9,11-12,
    15,23-24H,3-4,17H2,1-2H3,
    (H,26,27)(H2,18,19,20)/t8
    -,9+,11+,12+,15+/m0/s1;
    AXWPLGAOCISUCB-OPYVMVOTSA-N    		 CC(C)CC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc
    3c2ncnc3N)O)O)N; CC(C)C[CH](N)C(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c
    (N)ncnc23; CC(C)C[C@H](N)C(=O)O[P](O)(=O
    )OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c
    (N)ncnc23; CC(C)C[C@@H](C(=O)OP(=O)(O)OC
    [C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncn
    c3N)O)O)N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{S})-2-azanyl-4-methyl-pentanoate
    39762 USC 0 C9 H9 N O6 S InChI=1S/C9H9NO6S/c1-17(1
    5,16)10-7-3-5(8(11)12)2-6
    (4-7)9(13)14/h2-4,10H,1H3
    ,(H,11,12)(H,13,14);
    RHRDZYNNRHDSCS-UHFFFAOYSA-N    		 CS(=O)(=O)Nc1cc(cc(c1)C(=O)O)C(=O)O; O=S
    (=O)(Nc1cc(cc(c1)C(=O)O)C(=O)O)C; C[S](=
    O)(=O)Nc1cc(cc(c1)C(O)=O)C(O)=O    		 5-[(methylsulfonyl)amino]benzene-1,3-dicarboxylic acid
    39763 USD 1 C5 H5 N3 InChI=1S/C5H5N3/c6-4-5-7-
    2-1-3-8-5/h1-4,6H/b6-4+;
    KSQIQMUQPXONCB-GQCTYLIASA-N    		 c1cnc(nc1)C=N; [H]/N=C/c1ncccn1; n1cccnc
    1/C=N; N=Cc1ncccn1    		 (E)-1-(pyrimidin-2-yl)methanimine
    39764 USE
    CHEMBL520866
    ZINC000004098560    		 2 C21 H20 O11 InChI=1S/C21H20O11/c22-6-
    14-17(28)18(29)19(30)21(3
    2-14)16-11(26)4-10(25)15-
    12(27)5-13(31-20(15)16)7-
    1-2-8(23)9(24)3-7/h1-5,14
    ,17-19,21-26,28-30H,6H2/t
    14-,17-,18+,19-,21+/m1/s1;
    PLAPMLGJVGLZOV-VPRICQMDSA-N    		 c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3O2)[C@H]4[
    C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
    )O)O; OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C
    @@H]1O)c2c(O)cc(O)c3C(=O)C=C(Oc23)c4ccc(
    O)c(O)c4; c1cc(c(cc1C2=CC(=O)c3c(cc(c(c3
    O2)C4C(C(C(C(O4)CO)O)O)O)O)O)O)O; OC[CH]
    1O[CH]([CH](O)[CH](O)[CH]1O)c2c(O)cc(O)c
    3C(=O)C=C(Oc23)c4ccc(O)c(O)c4    		 Orientin;
    2-[3,4-bis(oxidanyl)phenyl]-8-[(2~{S},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]-5,7-bis(oxidanyl)chromen-4-one;
    5281675;
    2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
    39765 USF 1 C27 H29 F N8 O2 InChI=1S/C27H29FN8O2/c1-1
    4(2)35-6-4-17-10-22(34-36
    (17)13-23(35)37)33-21-9-1
    6-8-18(24(28)25(29)20(16)
    12-31-21)19-11-32-27-26(1
    5(19)3)30-5-7-38-27/h8-12
    ,14,30H,4-7,13,29H2,1-3H3
    ,(H,31,33,34);
    JOMBGXFENCGRHG-UHFFFAOYSA-N    		 Cc1c(cnc2c1NCCO2)c3cc4cc(ncc4c(c3F)N)Nc5
    cc6n(n5)CC(=O)N(CC6)C(C)C; CC(C)N1CCc2cc
    (Nc3cc4cc(c(F)c(N)c4cn3)c5cnc6OCCNc6c5C)
    nn2CC1=O    		 2-[[8-azanyl-7-fluoranyl-6-(8-methyl-2,3-dihydro-1~{H}-pyrido[2,3-b][1,4]oxazin-7-yl)isoquinolin-3-yl]amino]-6-propan-2-yl-5,8-dihydro-4~{H}-pyrazolo[1,5-d][1,4]diazepin-7-one;
    2-[8-Amino-7-fluoro-6-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)-isoquinolin-3-ylamino]-6-isopropyl-5,6-dihydro-4H-1,6,8a-triaza-azulen-7-one
    39766 USG 1 C22 H25 F2 N O2 InChI=1S/C22H25F2NO2/c23-
    19-7-3-17(4-8-19)16-22(27
    )11-14-25(15-12-22)13-1-2
    -21(26)18-5-9-20(24)10-6-
    18/h3-10,27H,1-2,11-16H2;
    IYFJRQNDVZAPSQ-UHFFFAOYSA-N    		 OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)Cc3ccc(F
    )cc3; C2CN(CCCC(c1ccc(cc1)F)=O)CCC2(Cc3c
    cc(cc3)F)O; c1cc(ccc1CC2(CCN(CC2)CCCC(=O
    )c3ccc(cc3)F)O)F    		 4-(4-benzyl-4-hydroxypiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
    39767 USH
    ZINC000020268507    		 1 C14 H19 Cl N2 O3 InChI=1S/C14H19ClN2O3/c1-
    3-8-17(14(19)9-15)10-13(1
    8)16-11-6-4-5-7-12(11)20-
    2/h4-7H,3,8-10H2,1-2H3,(H
    ,16,18);
    NXCZZJXJRNCFHV-UHFFFAOYSA-N    		 CCCN(CC(=O)Nc1ccccc1OC)C(=O)CCl 2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide
    39768 USI 2 C20 H19 N5 O InChI=1S/C20H19N5O/c1-26-
    16-4-2-3-14(10-16)18-11-1
    9(25-20(21)24-18)23-12-13
    -5-6-17-15(9-13)7-8-22-17
    /h2-11,22H,12H2,1H3,(H3,2
    1,23,24,25);
    DOZCEYNDPGHGAV-UHFFFAOYSA-N    		 COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)cc
    [nH]4; COc1cccc(c1)c2cc(NCc3ccc4[nH]ccc4
    c3)nc(N)n2    		 ~{N}4-(1~{H}-indol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
    39769 USJ 1 C9 H11 N O2 InChI=1S/C9H11NO2/c1-10-8
    (11)6-4-2-3-5-7(6)9(10)12
    /h2-5,8-9,11-12H,1H3/t8-,
    9-/m0/s1;
    BYRKHPSEAHMOOE-IUCAKERBSA-N    		 CN1[C@H](c2ccccc2[C@@H]1O)O; c1cc2c(cc1)
    C(N(C2O)C)O; CN1C(c2ccccc2C1O)O; CN1[CH]
    (O)c2ccccc2[CH]1O; CN1[C@@H](O)c2ccccc2[
    C@@H]1O    		 (1S,3S)-2-methyl-2,3-dihydro-1H-isoindole-1,3-diol
    39770 USK 4 C23 H23 N5 O5 S2 InChI=1S/C23H23N5O5S2/c29
    -20-8-6-16(7-9-20)12-18(1
    3-22(30)26-31)28-19(14-24
    -27-28)15-25-35(32,33)23-
    11-10-21(34-23)17-4-2-1-3
    -5-17/h1-11,14,18,25,29,3
    1H,12-13,15H2,(H,26,30)/t
    18-/m0/s1;
    YNJVRCJGXCXRMB-SFHVURJKSA-N    		 c1ccc(cc1)c2ccc(s2)S(=O)(=O)NCc3cnnn3[C@
    @H](Cc4ccc(cc4)O)CC(=O)NO; c1ccc(cc1)c2c
    cc(s2)S(=O)(=O)NCc3cnnn3C(Cc4ccc(cc4)O)C
    C(=O)NO; ONC(=O)C[CH](Cc1ccc(O)cc1)n2nnc
    c2CN[S](=O)(=O)c3sc(cc3)c4ccccc4; ONC(=O
    )C[C@H](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O
    )c3sc(cc3)c4ccccc4    		 (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide
    39771 USL 2 C23 H24 F N3 O9 InChI=1S/C23H24FN3O9/c24-
    13-7-11-14(27(10-1-2-10)9
    -12(16(11)28)22(32)33)8-1
    5(13)25-3-5-26(6-4-25)21-
    19(31)17(29)18(30)20(36-2
    1)23(34)35/h3,5,7-10,17-2
    1,29-31H,1-2,4,6H2,(H,32,
    33)(H,34,35)/t17-,18-,19+
    ,20-,21+/m0/s1;
    CWGBMWFHBQHVMG-JRSUCEMESA-N    		 O=C(O)C1=CN(C2CC2)c2cc(c(F)cc2C1=O)N1CCN
    (C=C1)C1OC(C(O)C(O)C1O)C(=O)O; O[CH]1[CH
    ](O)[CH](O[CH]([CH]1O)C(O)=O)N2CCN(C=C2)
    c3cc4N(C=C(C(O)=O)C(=O)c4cc3F)C5CC5; O[C
    @@H]1[C@@H](O)[C@@H](O[C@@H]([C@H]1O)C(O
    )=O)N2CCN(C=C2)c3cc4N(C=C(C(O)=O)C(=O)c4
    cc3F)C5CC5; c1c2c(cc(c1F)N3CCN(C=C3)[C@H
    ]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)
    O)O)N(C=C(C2=O)C(=O)O)C5CC5; c1c2c(cc(c1
    F)N3CCN(C=C3)C4C(C(C(C(O4)C(=O)O)O)O)O)N
    (C=C(C2=O)C(=O)O)C5CC5    		 3-carboxy-1-cyclopropyl-6-fluoro-7-(4-beta-D-glucopyranuronosyl-3,4-dihydropyrazin-1(2H)-yl)-4-oxo-1,4-dihydroquinoline
    39772 USM
    ZINC000058649708    		 0 C10 H15 N2 O8 P S InChI=1S/C10H15N2O8PS/c1-
    22-8-7(14)5(4-19-21(16,17
    )18)20-9(8)12-3-2-6(13)11
    -10(12)15/h2-3,5,7-9,14H,
    4H2,1H3,(H,11,13,15)(H2,1
    6,17,18)/t5-,7-,8-,9-/m1/
    s1;
    NZYFPIYZUCYZKH-ZOQUXTDFSA-N    		 CSC1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)O
    ; CS[CH]1[CH](O)[CH](CO[P](O)(O)=O)O[CH]
    1N2C=CC(=O)NC2=O; CS[C@@H]1[C@@H]([C@H](
    O[C@H]1N2C=CC(=O)NC2=O)COP(=O)(O)O)O; CS
    [C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C@
    H]1N2C=CC(=O)NC2=O; O=C1NC(=O)N(C=C1)C2O
    C(C(O)C2SC)COP(=O)(O)O    		 2'-S-methyl-2'-thiouridine 5'-(dihydrogen phosphate)
    39773 USN 16 C44 H55 N6 Ni O13 InChI=1S/C44H56N6O13.Ni/c
    1-19-15-42(3)24(12-36(61)
    62)26-14-29-41(2,17-30(45
    )51)22(6-9-33(55)56)28(46
    -29)16-44-43(4,18-31(52)5
    0-44)23(7-10-34(57)58)27(
    49-44)13-25-21(11-35(59)6
    0)20(5-8-32(53)54)38(47-2
    5)37(39(19)63)40(42)48-26
    ;/h13,19-24,26,28H,5-12,1
    4-18H2,1-4H3,(H9,45,47,48
    ,49,50,51,52,53,54,55,56,
    57,58,59,60,61,62,63);/q;
    +1/p-1/t19-,20?,21?,22?,2
    3?,24?,26?,28?,41-,42-,43
    -,44-;/m0./s1;
    RAZHPFHMRANHAI-KFKQAULWSA-M    		 C[C@H]1C[C@]2(C(C3CC4=[N]5C(CC67[C@@](CC
    (=O)N6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=
    C8)C(C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)
    C([C@]4(C)CC(=O)N)CCC(=O)O)CC(=O)O)C; C[
    CH]1C[C]2(C)[CH](CC(O)=O)[CH]3CC4=N[CH](
    C[C]56NC(=O)C[C]5(C)[CH](CCC(O)=O)C(=N6)
    C=C7[CH](CC(O)=O)[CH](CCC(O)=O)C(=C(C1=O
    )C2=N3)[N]7[Ni])[CH](CCC(O)=O)[C]4(C)CC(
    N)=O; CC1CC2(C(C3CC4=[N]5C(CC67C(CC(=O)N
    6)(C(C8=[N]7[Ni]59[N]3=C2C(=C2N9C(=C8)C(
    C2CCC(=O)O)CC(=O)O)C1=O)CCC(=O)O)C)C(C4(
    C)CC(=O)N)CCC(=O)O)CC(=O)O)C; C[C@H]1C[C
    @@]2(C)[C@H](CC(O)=O)[C@@H]3CC4=N[C@@H](
    C[C@]56NC(=O)C[C@@]5(C)[C@@H](CCC(O)=O)C
    (=N6)C=C7[C@H](CC(O)=O)[C@H](CCC(O)=O)C(
    =C(C1=O)C2=N3)[N@@]7[Ni])[C@@H](CCC(O)=O
    )[C@]4(C)CC(N)=O    		 Dimethylated-F430 cofactor
    39774 USP 1 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c1-10-
    6-3-2-5(9)4-7(6)12-8(10)1
    1/h2-4,8,11H,9H2,1H3/t8-/
    m1/s1;
    SFDSWFBFHNEOAA-MRVPVSSYSA-N    		 CN1[CH](O)Oc2cc(N)ccc12; CN1c2ccc(cc2OC1
    O)N; CN1c2ccc(cc2O[C@H]1O)N; CN1[C@H](O)
    Oc2cc(N)ccc12; c1(ccc2c(c1)OC(O)N2C)N    		 (2R)-6-amino-3-methyl-2,3-dihydro-1,3-benzoxazol-2-ol
    39775 USQ
    DB02554
    ZINC000008419260    		 1 C15 H24 N2 O19 P2 S InChI=1S/C15H24N2O19P2S/c
    18-7-1-2-17(15(24)16-7)13
    -11(22)8(19)5(33-13)3-32-
    37(25,26)36-38(27,28)35-1
    4-12(23)10(21)9(20)6(34-1
    4)4-39(29,30)31/h1-2,5-6,
    8-14,19-23H,3-4H2,(H,25,2
    6)(H,27,28)(H,16,18,24)(H
    ,29,30,31)/t5-,6-,8-,9-,1
    0+,11-,12-,13-,14-/m1/s1;
    FQANCGQCBCUSMI-JZMIEXBBSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)OC3C(C(C(C(O3)CS(=O)(=O)O)O)O)O)O
    )O; O=P(OC1OC(C(O)C(O)C1O)CS(=O)(=O)O)(O
    )OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
    ; O[C@H]1[C@H](O)[C@@H](C[S](O)(=O)=O)O[
    C@H](O[P@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[
    C@H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C
    @@H]1O; O[CH]1[CH](O)[CH](C[S](O)(=O)=O)
    O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH]1O; C
    1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H
    ](O2)CO[P@@](=O)(O)O[P@](=O)(O)O[C@@H]3[
    C@@H]([C@H]([C@@H]([C@H](O3)CS(=O)(=O)O)
    O)O)O)O)O    		 SULFOQUINOVOSE-URIDINE-C1,5'-DIPHOSPHATE
    39776 USR 1 C18 H31 N O15 InChI=1S/C18H31NO15/c1-31
    -16-13(28)15(12(27)8(4-21
    )32-16)34-18(17(29)30)2-6
    (23)10(19-9(25)5-22)14(33
    -18)11(26)7(24)3-20/h6-8,
    10-16,20-24,26-28H,2-5H2,
    1H3,(H,19,25)(H,29,30)/t6
    -,7-,8+,10+,11+,12-,13-,1
    4+,15-,16+,18-/m0/s1;
    UWADXVSOESDFFH-VKYAEBFESA-N    		 COC1C(C(C(C(O1)CO)O)OC2(CC(C(C(O2)C(C(CO
    )O)O)NC(=O)CO)O)C(=O)O)O; CO[C@@H]1O[C@H
    ](CO)[C@H](O)[C@H](O[C@@]2(C[C@H](O)[C@H
    ](NC(=O)CO)[C@@H](O2)[C@H](O)[C@@H](O)CO
    )C(O)=O)[C@@H]1O; CO[CH]1O[CH](CO)[CH](O
    )[CH](O[C]2(C[CH](O)[CH](NC(=O)CO)[CH](O
    2)[CH](O)[CH](O)CO)C(O)=O)[CH]1O; OCC(O)
    C(O)C1OC(OC2C(O)C(OC)OC(CO)C2O)(CC(O)C1N
    C(=O)CO)C(=O)O; CO[C@H]1[C@@H]([C@@H]([C
    @H]([C@H](O1)CO)O)O[C@@]2(C[C@@H]([C@H](
    [C@H](O2)[C@H]([C@H](CO)O)O)NC(=O)CO)O)C
    (=O)O)O    		 methyl 3-O-[3,5-dideoxy-5-(2-hydroxyacetamido)-L-glycero-alpha-D-gulo-non-2-ulopyranonosyl]-beta-D-talopyranoside
    39777 USS
    CHEMBL1108
    DB00450
    ZINC000019796080    		 1 C22 H22 F N3 O2 InChI=1S/C22H22FN3O2/c23-
    17-9-7-16(8-10-17)21(27)6
    -3-13-25-14-11-18(12-15-2
    5)26-20-5-2-1-4-19(20)24-
    22(26)28/h1-2,4-5,7-11H,3
    ,6,12-15H2,(H,24,28);
    RMEDXOLNCUSCGS-UHFFFAOYSA-N    		 Fc4ccc(C(=O)CCCN1CC=C(CC1)N2C(Nc3c2cccc3
    )=O)cc4; Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)N
    3C(=O)Nc4ccccc34; c1ccc2c(c1)NC(=O)N2C3=
    CCN(CC3)CCCC(=O)c4ccc(cc4)F    		 3-[1-[4-(4-fluorophenyl)-4-oxidanylidene-butyl]-2,3,4,5-tetrahydropyridin-4-yl]-1~{H}-benzimidazol-2-one;
    droperidol
    39778 UST 1 C15 H13 N O3 S InChI=1S/C15H13NO3S/c17-1
    1-12-5-7-14(8-6-12)20(18,
    19)16-10-9-13-3-1-2-4-15(
    13)16/h1-8,11H,9-10H2;
    FSHRLRMRVJPKFZ-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN2S(=O)(=O)c3ccc(cc3)C=O; O
    =Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc23    		 4-(2,3-dihydroindol-1-ylsulfonyl)benzaldehyde
    39779 USU 52 C27 H27 F N4 O3 InChI=1S/C27H27FN4O3/c1-1
    8-26(34)30(16-21-7-4-6-20
    -5-2-3-8-23(20)21)17-24-3
    1(14-13-25(33)32(18)24)27
    (35)29-15-19-9-11-22(28)1
    2-10-19/h2-12,18,24H,13-1
    7H2,1H3,(H,29,35)/t18-,24
    +/m0/s1;
    UJSSMRPTIGCTEH-MHECFPHRSA-N    		 CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc3ccc(cc3
    )F)Cc4cccc5c4cccc5; C[C@H]1C(=O)N(C[C@H]
    2N1C(=O)CCN2C(=O)NCc3ccc(cc3)F)Cc4cccc5c
    4cccc5; Fc1ccc(cc1)CNC(=O)N1CCC(=O)N2C(C
    )C(=O)N(CC21)Cc1cccc2ccccc21; C[CH]1N2[C
    H](CN(Cc3cccc4ccccc34)C1=O)N(CCC2=O)C(=O
    )NCc5ccc(F)cc5; C[C@@H]1N2[C@H](CN(Cc3cc
    cc4ccccc34)C1=O)N(CCC2=O)C(=O)NCc5ccc(F)
    cc5    		 (5S,6S,9aS)-N-[(4-fluorophenyl)methyl]-6-methyl-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
    39780 USV 2 C22 H23 Cl2 N3 O3 S InChI=1S/C22H23Cl2N3O3S/c
    1-2-15-13-26(14-18-6-3-4-
    9-25-18)22(28)21-8-5-7-20
    (15)27(21)31(29,30)19-11-
    16(23)10-17(24)12-19/h2-4
    ,6,9-12,15,20-21H,1,5,7-8
    ,13-14H2/t15-,20+,21-/m0/
    s1;
    KKMVHLSJYZVTJM-RVHYNSKXSA-N    		 Clc1cc(Cl)cc(c1)[S](=O)(=O)N2[CH]3CCC[CH
    ]2C(=O)N(C[CH]3C=C)Cc4ccccn4; C=C[C@H]1C
    N(C(=O)[C@@H]2CCC[C@H]1N2S(=O)(=O)c3cc(c
    c(c3)Cl)Cl)Cc4ccccn4; Clc1cc(Cl)cc(c1)[S
    ](=O)(=O)N2[C@@H]3CCC[C@H]2C(=O)N(C[C@@H
    ]3C=C)Cc4ccccn4; C=CC1CN(C(=O)C2CCCC1N2S
    (=O)(=O)c3cc(cc(c3)Cl)Cl)Cc4ccccn4    		 (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    39781 USW 1 C15 H12 Cl N O4 S InChI=1S/C15H12ClNO4S/c16
    -12-3-6-14-15(9-12)21-8-7
    -17(14)22(19,20)13-4-1-11
    (10-18)2-5-13/h1-6,9-10H,
    7-8H2;
    JBIHRNOVJUJFLI-UHFFFAOYSA-N    		 Clc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)c
    c3; c1cc(ccc1C=O)S(=O)(=O)N2CCOc3c2ccc(c
    3)Cl    		 4-[(7-chloranyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
    39782 USX 1 C20 H20 N2 O5 InChI=1S/C20H20N2O5/c1-12
    (23)22-15-6-4-3-5-14(15)2
    0(25)16(22)9-13-7-8-17(18
    (10-13)26-2)27-11-19(21)2
    4/h3-8,10,16H,9,11H2,1-2H
    3,(H2,21,24)/t16-/m0/s1;
    DUXGCVPXJWCVOO-INIZCTEOSA-N    		 CC(=O)N1c2ccccc2C(=O)C1Cc3ccc(c(c3)OC)OC
    C(=O)N; CC(=O)N1c2ccccc2C(=O)[C@@H]1Cc3c
    cc(c(c3)OC)OCC(=O)N; COc1cc(C[CH]2N(C(C)
    =O)c3ccccc3C2=O)ccc1OCC(N)=O; COc1cc(C[C
    @@H]2N(C(C)=O)c3ccccc3C2=O)ccc1OCC(N)=O    		 2-[4-[[(2S)-1-ethanoyl-3-oxidanylidene-2H-indol-2-yl]methyl]-2-methoxy-phenoxy]ethanamide
    39783 USY
    CHEMBL5192523    		 1 C11 H14 F N3 O InChI=1S/C11H14FN3O/c12-9
    -5-3-8(4-6-9)10(16)2-1-7-
    15-11(13)14/h3-6H,1-2,7H2
    ,(H4,13,14,15);
    JGRDPVUWSFRGMI-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCC(=O)c1ccc(cc1)F; c1cc(c
    cc1C(=O)CCCNC(=N)N)F; C(=N)(\N)NCCCC(c1c
    cc(F)cc1)=O; NC(=N)NCCCC(=O)c1ccc(F)cc1    		 N-[4-(4-fluorophenyl)-4-oxobutyl]guanidine
    39784 USZ 1 C28 H32 F N3 O2 InChI=1S/C28H32FN3O2/c1-5
    -25(33)32(24-13-11-22(12-
    14-24)28(2,3)4)26(21-9-7-
    16-30-19-21)27(34)31-17-1
    5-20-8-6-10-23(29)18-20/h
    6-14,16,18-19,26H,5,15,17
    H2,1-4H3,(H,31,34)/t26-/m
    1/s1;
    KGVPRQJQXHIIJH-AREMUKBSSA-N    		 CCC(=O)N(c1ccc(cc1)C(C)(C)C)[C@H](c2cccn
    c2)C(=O)NCCc3cccc(c3)F; CCC(=O)N([CH](C(
    =O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc3)C(C
    )(C)C; CCC(=O)N(c1ccc(cc1)C(C)(C)C)C(c2c
    ccnc2)C(=O)NCCc3cccc(c3)F; CCC(=O)N([C@@
    H](C(=O)NCCc1cccc(F)c1)c2cccnc2)c3ccc(cc
    3)C(C)(C)C    		 ~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide
    39785 UT0 1 C19 H20 N2 O4 S InChI=1S/C19H20N2O4S/c1-4
    -25-19-8-6-15(13(2)22)11-
    17(19)20-16-7-5-14-9-10-2
    1(18(14)12-16)26(3,23)24/
    h5-12,20H,4H2,1-3H3;
    OCKRWFCZZXKGGR-UHFFFAOYSA-N    		 CCOc1ccc(cc1Nc2ccc3ccn(c3c2)[S](C)(=O)=O
    )C(C)=O; CCOc1ccc(cc1Nc2ccc3ccn(c3c2)S(=
    O)(=O)C)C(=O)C    		 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone;
    UT07C
    39786 UT2
    CHEMBL3431003
    ZINC000009662887    		 3 C19 H17 N3 O7 S2 InChI=1S/C19H17N3O7S2/c1-
    28-14-6-3-12(4-7-14)21-31
    (26,27)17-11-13(5-8-15(17
    )29-2)20-19(23)16-9-10-18
    (30-16)22(24)25/h3-11,21H
    ,1-2H3,(H,20,23);
    DYOXCKGIGMXWNR-UHFFFAOYSA-N    		 COc1ccc(N[S](=O)(=O)c2cc(NC(=O)c3sc(cc3)
    [N](=O)=O)ccc2OC)cc1; COc1ccc(cc1)NS(=O)
    (=O)c2cc(ccc2OC)NC(=O)c3ccc(s3)N(=O)=O    		 N-{4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide;
    ~{N}-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide;
    N-[4-methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl]-5-nitro-thiophene-2-carboxamide
    39787 UT4 2 C19 H18 N2 O4 S InChI=1S/C19H18N2O4S/c22-
    14-10-17(21-5-3-20-4-6-21
    )25-18-13(11-26-19(14)18)
    12-1-2-15-16(9-12)24-8-7-
    23-15/h1-2,9-11,20H,3-8H2;
    QRWUATIRJXRWLX-UHFFFAOYSA-N    		 O=C1C=C(Oc2c1scc2c3ccc4OCCOc4c3)N5CCNCC5
    ; c1cc2c(cc1c3csc4c3OC(=CC4=O)N5CCNCC5)O
    CCO2; C2(C=C(N1CCNCC1)Oc3c2scc3c5ccc4OCC
    Oc4c5)=O    		 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(piperazin-1-yl)-7H-thieno[3,2-b]pyran-7-one
    39788 UT5 1 C20 H21 F N4 O2 InChI=1S/C20H21FN4O2/c1-1
    1(26)23-14-5-3-12(9-14)19
    -24-18-16(7-8-22-20(18)25
    -19)15-6-4-13(21)10-17(15
    )27-2/h4,6-8,10,12,14H,3,
    5,9H2,1-2H3,(H,23,26)(H,2
    2,24,25)/t12-,14-/m1/s1;
    KPPLCUYUCVJBTH-TZMCWYRMSA-N    		 CC(=O)NC1CCC(C1)c2[nH]c3c(ccnc3n2)c4ccc(
    cc4OC)F; COc1cc(F)ccc1c2ccnc3nc([nH]c23)
    [C@@H]4CC[C@H](C4)NC(C)=O; CC(=O)N[C@@H]
    1CC[C@H](C1)c2[nH]c3c(ccnc3n2)c4ccc(cc4O
    C)F; COc1cc(F)ccc1c2ccnc3nc([nH]c23)[CH]
    4CC[CH](C4)NC(C)=O    		 N-((1R,3R)-3-(7-(4-fluoro-2-methoxyphenyl)-3H-imidazo[4,5-b]pyridin-2-yl)cyclopentyl)acetamide;
    ~{N}-[(1~{R},3~{R})-3-[7-(4-fluoranyl-2-methoxy-phenyl)-1~{H}-imidazo[4,5-b]pyridin-2-yl]cyclopentyl]ethanamide
    39789 UT6 2 C22 H23 Cl2 N3 O2 S InChI=1S/C22H23Cl2N3O2S/c
    1-2-15-13-26(14-18-6-3-4-
    9-25-18)22(28)21-8-5-7-20
    (15)27(21)30(29)19-11-16(
    23)10-17(24)12-19/h2-4,6,
    9-12,15,20-21H,1,5,7-8,13
    -14H2/t15-,20+,21-,30+/m0
    /s1;
    YFTZNIHUDDONNU-MIQCLTDXSA-N    		 Clc1cc(Cl)cc(c1)[S@@](=O)N2[C@@H]3CCC[C@
    H]2C(=O)N(C[C@@H]3C=C)Cc4ccccn4; C=C[C@H
    ]1CN(C(=O)[C@@H]2CCC[C@H]1N2[S@](=O)c3cc
    (cc(c3)Cl)Cl)Cc4ccccn4; Clc1cc(Cl)cc(c1)
    [S](=O)N2[CH]3CCC[CH]2C(=O)N(C[CH]3C=C)C
    c4ccccn4; C=CC1CN(C(=O)C2CCCC1N2S(=O)c3c
    c(cc(c3)Cl)Cl)Cc4ccccn4    		 (1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfinyl-5-ethenyl-3-(pyridin-2-ylmethyl)-3,10-diazabicyclo[4.3.1]decan-2-one
    39790 UT7 2 C21 H36 N7 O17 P3 InChI=1S/C21H36N7O17P3/c1
    -21(2,16(32)19(33)24-4-3-
    12(30)23-5-6-29)8-42-48(3
    9,40)45-47(37,38)41-7-11-
    15(44-46(34,35)36)14(31)2
    0(43-11)28-10-27-13-17(22
    )25-9-26-18(13)28/h9-11,1
    4-16,20,29,31-32H,3-8H2,1
    -2H3,(H,23,30)(H,24,33)(H
    ,37,38)(H,39,40)(H2,22,25
    ,26)(H2,34,35,36)/t11-,14
    -,15-,16+,20-/m1/s1;
    JHUGPYYCEXFQAL-IBOSZNHHSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OC[C@@H]1[C@H](
    [C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(
    O)O)[C@H](C(=O)NCCC(=O)NCCO)O; CC(C)(COP
    (=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncn
    c3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCO)O;
    CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCO; CC(C)(CO[P
    ](O)(=O)O[P](O)(=O)OC[C@H]1O[C@H]([C@H](
    O)[C@@H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23)[
    C@@H](O)C(=O)NCCC(=O)NCCO; OCCNC(=O)CCNC
    (C(O)C(COP(OP(O)(=O)OCC1C(OP(O)(O)=O)C(O
    )C(O1)n3c2ncnc(c2nc3)N)(O)=O)(C)C)=O    		 oxa(dethia)-CoA;
    [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-4-({3-[(2-hydroxyethyl)amino]-3-oxopropyl}amino)-2,2-dimethyl-4-oxobutyl dihydrogen diphosphate
    39791 UT8 1 C16 H15 N O5 S InChI=1S/C16H15NO5S/c1-21
    -13-4-7-15-16(10-13)22-9-
    8-17(15)23(19,20)14-5-2-1
    2(11-18)3-6-14/h2-7,10-11
    H,8-9H2,1H3;
    MLUUQFXYDBEHMS-UHFFFAOYSA-N    		 COc1ccc2N(CCOc2c1)[S](=O)(=O)c3ccc(C=O)c
    c3; COc1ccc2c(c1)OCCN2S(=O)(=O)c3ccc(cc3
    )C=O    		 4-[(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]benzaldehyde
    39792 UTA 5 C23 H38 N7 O18 P3 InChI=1S/C23H38N7O18P3/c1
    -12(31)43-7-6-25-14(32)4-
    5-26-21(35)18(34)23(2,3)9
    -45-51(41,42)48-50(39,40)
    44-8-13-17(47-49(36,37)38
    )16(33)22(46-13)30-11-29-
    15-19(24)27-10-28-20(15)3
    0/h10-11,13,16-18,22,33-3
    4H,4-9H2,1-3H3,(H,25,32)(
    H,26,35)(H,39,40)(H,41,42
    )(H2,24,27,28)(H2,36,37,3
    8)/t13-,16-,17-,18+,22-/m
    1/s1;
    YTFJZNGIRMRBLL-ZSJPKINUSA-N    		 n1cnc2c(c1N)ncn2C3C(O)C(C(O3)COP(O)(=O)O
    P(OCC(C)(C)C(C(NCCC(NCCOC(C)=O)=O)=O)O)(
    =O)O)OP(O)(O)=O; CC(=O)OCCNC(=O)CCNC(=O)
    C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1
    )n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(=O)OC
    CNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(=O)(O)O
    P(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n
    2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(=O)OCCN
    C(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](
    O)(O)=O)n2cnc3c(N)ncnc23; CC(=O)OCCNC(=O
    )CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)O[P]
    (O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O[P
    ](O)(O)=O)n2cnc3c(N)ncnc23    		 acetyl-oxa(dethia)-CoA;
    (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2,4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl acetate
    39793 UTB
    CHEMBL3797341
    ZINC000196517088    		 0 C27 H20 N2 O5 InChI=1S/C27H20N2O5/c30-1
    4-22-21(31)12-23(34-22)29
    -13-19(26(32)28-27(29)33)
    9-5-15-4-6-18-8-7-16-2-1-
    3-17-10-11-20(15)25(18)24
    (16)17/h1-4,6-8,10-11,13,
    21-23,30-31H,12,14H2,(H,2
    8,32,33)/t21-,22+,23+/m0/
    s1;
    SBUWMUFDYOCKMX-YTFSRNRJSA-N    		 OC[C@H]1O[C@H](C[C@@H]1O)N2C=C(C#Cc3ccc4
    ccc5cccc6ccc3c4c56)C(=O)NC2=O; c1cc2ccc3
    ccc(c4c3c2c(c1)cc4)C#CC5=CN(C(=O)NC5=O)[
    C@H]6C[C@@H]([C@H](O6)CO)O; OC[CH]1O[CH]
    (C[CH]1O)N2C=C(C#Cc3ccc4ccc5cccc6ccc3c4c
    56)C(=O)NC2=O; c1cc2ccc3ccc(c4c3c2c(c1)c
    c4)C#CC5=CN(C(=O)NC5=O)C6CC(C(O6)CO)O    		 1-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-5-(2-pyren-1-ylethynyl)pyrimidine-2,4-dione
    39794 UTC
    CHEMBL2312139
    ZINC000003960089    		 26 C33 H32 N4 O4 InChI=1S/C33H32N4O4/c38-2
    7-15-13-23(14-16-27)19-29
    -32(40)35(21-26-11-6-10-2
    5-9-4-5-12-28(25)26)22-30
    -36(18-17-31(39)37(29)30)
    33(41)34-20-24-7-2-1-3-8-
    24/h1-16,29-30,38H,17-22H
    2,(H,34,41)/t29-,30+/m0/s
    1;
    HQWTUOLCGKIECB-XZWHSSHBSA-N    		 Oc1ccc(C[C@@H]2N3[C@H](CN(Cc4cccc5ccccc4
    5)C2=O)N(CCC3=O)C(=O)NCc6ccccc6)cc1; c1c
    cc(cc1)CNC(=O)N2CCC(=O)N3[C@@H]2CN(C(=O)
    [C@@H]3Cc4ccc(cc4)O)Cc5cccc6c5cccc6; Oc1
    ccc(C[CH]2N3[CH](CN(Cc4cccc5ccccc45)C2=O
    )N(CCC3=O)C(=O)NCc6ccccc6)cc1; Oc1ccc(cc
    1)CC1C(=O)N(CC2N1C(=O)CCN2C(=O)NCc1ccccc
    1)Cc1cccc2ccccc21; c1ccc(cc1)CNC(=O)N2CC
    C(=O)N3C2CN(C(=O)C3Cc4ccc(cc4)O)Cc5cccc6
    c5cccc6    		 (5R,6S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-8-[(naphthalen-1-yl)methyl]-4,7-dioxohexahydro-2H-pyrazino[1,2-a]pyrimidine-1(6H)-carboxamide
    39795 UTD
    CHEMBL3544895    		 1 C21 H21 Cl F N O InChI=1S/C21H21ClFNO/c22-
    19-7-3-16(4-8-19)17-11-14
    -24(15-12-17)13-1-2-21(25
    )18-5-9-20(23)10-6-18/h3-
    11H,1-2,12-15H2;
    ZNOLNAPJKOYTHY-UHFFFAOYSA-N    		 Fc3ccc(C(=O)CCCN1CC=C(CC1)c2ccc(cc2)Cl)c
    c3; Fc1ccc(cc1)C(=O)CCCN2CCC(=CC2)c3ccc(
    Cl)cc3; c1cc(ccc1C2=CCN(CC2)CCCC(=O)c3cc
    c(cc3)F)Cl    		 4-(4-cyclohexyl-3,4-dihydro-2~{H}-pyridin-1-yl)-1-(4-$l^{2}-fluoranylcyclohexa-1,3,5-trien-1-yl)butan-1-one
    39796 UTE
    CHEMBL5220488    		 4 C20 H14 F3 N3 O3 InChI=1S/C20H14F3N3O3/c1-
    11-5-3-4-6-15(11)29-16-8-
    14(12(2)7-13(16)10-24)26-
    18(27)9-17(20(21,22)23)25
    -19(26)28/h3-9H,1-2H3,(H,
    25,28);
    XSDNYWMZDXTSBT-UHFFFAOYSA-N    		 Cc1ccccc1Oc2cc(N3C(=O)NC(=CC3=O)C(F)(F)F
    )c(C)cc2C#N; Cc1ccccc1Oc2cc(c(cc2C#N)C)N
    3C(=O)C=C(NC3=O)C(F)(F)F    		 4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1H-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile;
    4-[2,4-bis(oxidanylidene)-6-(trifluoromethyl)-1~{H}-pyrimidin-3-yl]-5-methyl-2-(2-methylphenoxy)benzenecarbonitrile
    39797 UTF 2 C43 H58 N6 O8 InChI=1S/C43H58N6O8/c1-28
    -39(53)44-23-11-8-16-33(4
    2(56)57)47-36(51)26-43(21
    -9-10-22-43)27-37(52)48-3
    4(40(54)45-28)24-30-17-19
    -32(20-18-30)46-41(55)38(
    31-14-6-3-7-15-31)49-35(5
    0)25-29-12-4-2-5-13-29/h2
    ,4-5,12-13,17-20,28,31,33
    -34,38H,3,6-11,14-16,21-2
    7H2,1H3,(H,44,53)(H,45,54
    )(H,46,55)(H,47,51)(H,48,
    52)(H,49,50)(H,56,57)/t28
    -,33+,34+,38+/m1/s1;
    LUYWYJLWEKKDHF-GNAOABQFSA-N    		 C[C@H]1NC(=O)[C@H](Cc2ccc(NC(=O)[C@@H](N
    C(=O)Cc3ccccc3)C4CCCCC4)cc2)NC(=O)CC5(CC
    CC5)CC(=O)N[C@@H](CCCCNC1=O)C(O)=O; C[C@
    @H]1C(=O)NCCCC[C@H](NC(=O)CC2(CCCC2)CC(=
    O)N[C@H](C(=O)N1)Cc3ccc(cc3)NC(=O)[C@H](
    C4CCCCC4)NC(=O)Cc5ccccc5)C(=O)O; C[CH]1N
    C(=O)[CH](Cc2ccc(NC(=O)[CH](NC(=O)Cc3ccc
    cc3)C4CCCCC4)cc2)NC(=O)CC5(CCCC5)CC(=O)N
    [CH](CCCCNC1=O)C(O)=O; CC1C(=O)NCCCCC(NC
    (=O)CC2(CCCC2)CC(=O)NC(C(=O)N1)Cc3ccc(cc
    3)NC(=O)C(C4CCCCC4)NC(=O)Cc5ccccc5)C(=O)
    O    		 (9~{S},12~{R},19~{S})-9-[[4-[[(2~{S})-2-cyclohexyl-2-(2-phenylethanoylamino)ethanoyl]amino]phenyl]methyl]-12-methyl-7,10,13,21-tetrakis(oxidanylidene)-8,11,14,20-tetrazaspiro[4.17]docosane-19-carboxylic acid
    39798 UTG
    CHEMBL1412109
    ZINC000006513900    		 1 C12 H11 Cl N2 O S InChI=1S/C12H11ClN2OS/c13
    -10-5-1-2-6-11(10)15-12(1
    7)14-8-9-4-3-7-16-9/h1-7H
    ,8H2,(H2,14,15,17);
    QDQNQQPXAIJIJW-UHFFFAOYSA-N    		 Clc1ccccc1NC(=S)NCc2occc2; c1ccc(c(c1)NC
    (=S)NCc2ccco2)Cl; c1cccc(c1NC(NCc2ccco2)
    =S)Cl    		 N-(2-chlorophenyl)-N'-[(furan-2-yl)methyl]thiourea
    39799 UTH
    ZINC000098209511    		 1 C24 H24 N4 O3 InChI=1S/C24H24N4O3/c1-13
    -20(14(2)31-28-13)19-11-1
    0-15-21(16(23(29)30)12-25
    -22(15)27-19)26-18-9-7-6-
    8-17(18)24(3,4)5/h6-12H,1
    -5H3,(H,29,30)(H,25,26,27
    );
    PTXRSHPWCLHNBN-UHFFFAOYSA-N    		 Cc1onc(C)c1c2ccc3c(Nc4ccccc4C(C)(C)C)c(c
    nc3n2)C(O)=O; O=C(O)c4c(Nc1ccccc1C(C)(C)
    C)c3c(nc(c2c(onc2C)C)cc3)nc4; Cc1c(c(on1
    )C)c2ccc3c(c(cnc3n2)C(=O)O)Nc4ccccc4C(C)
    (C)C    		 4-((2-(TERT-BUTYL)PHENYL)AMINO)-7-(3,5-dimethylisoxazol-4-yl)-1,8-naphthyridine-3-carboxylic acid
    39800 UTI 27 C30 H33 Br F N3 O5 InChI=1S/C30H33BrFN3O5/c1
    -35(2)13-12-30(36,19-16-2
    5(38-4)34-26(17-19)39-5)2
    7(21-8-7-9-24(37-3)28(21)
    32)22-15-18-14-20(31)10-1
    1-23(18)33-29(22)40-6/h7-
    11,14-17,27,36H,12-13H2,1
    -6H3/t27-,30-/m1/s1;
    JJEGOJPMKLRSPJ-POURPWNDSA-N    		 COc1cc(cc(OC)n1)[C](O)(CCN(C)C)[CH](c2cc
    cc(OC)c2F)c3cc4cc(Br)ccc4nc3OC; COc1cc(c
    c(OC)n1)[C@](O)(CCN(C)C)[C@H](c2cccc(OC)
    c2F)c3cc4cc(Br)ccc4nc3OC; CN(C)CC[C@@](c
    1cc(nc(c1)OC)OC)([C@H](c2cccc(c2F)OC)c3c
    c4cc(ccc4nc3OC)Br)O; CN(C)CCC(c1cc(nc(c1
    )OC)OC)(C(c2cccc(c2F)OC)c3cc4cc(ccc4nc3O
    C)Br)O    		 (1~{S},2~{S})-1-(6-bromanyl-2-methoxy-quinolin-3-yl)-2-(2,6-dimethoxypyridin-4-yl)-4-(dimethylamino)-1-(2-fluoranyl-3-methoxy-phenyl)butan-2-ol;
    TBAJ-587
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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