SEQ2FUN

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

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

    • << < 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    43401 UGK
    CHEMBL5314413
    DB19045    		 2 C23 H21 F N6 O3 InChI=1S/C23H21FN6O3/c1-1
    2-15(11-28(2)27-12)13-6-1
    4-17(7-19(13)32-4)26-9-18
    -21(14)30(23(31)29(18)3)2
    2-16(24)8-25-10-20(22)33-
    5/h6-11H,1-5H3;
    WNEFOSMCGCLLJU-UHFFFAOYSA-N    		 COc1cncc(F)c1N2C(=O)N(C)c3cnc4cc(OC)c(cc
    4c23)c5cn(C)nc5C; Cc1c(cn(n1)C)c2cc3c(cc
    2OC)ncc4c3N(C(=O)N4C)c5c(cncc5F)OC    		 8-(1,3-dimethylpyrazol-4-yl)-1-(3-fluoranyl-5-methoxy-pyridin-4-yl)-7-methoxy-3-methyl-imidazo[4,5-c]quinolin-2-one
    43402 UGL 2 C9 H13 N3 O3 InChI=1S/C9H13N3O3/c1-6(2
    -3-8(13)14)11-9(15)7-4-5-
    10-12-7/h4-6H,2-3H2,1H3,(
    H,10,12)(H,11,15)(H,13,14
    )/t6-/m1/s1;
    RSKBJUVHKFRVMZ-ZCFIWIBFSA-N    		 CC(CCC(=O)O)NC(=O)c1cc[nH]n1; C[CH](CCC(
    O)=O)NC(=O)c1cc[nH]n1; C[C@H](CCC(O)=O)N
    C(=O)c1cc[nH]n1; C[C@H](CCC(=O)O)NC(=O)c
    1cc[nH]n1    		 (4~{R})-4-(1~{H}-pyrazol-3-ylcarbonylamino)pentanoic acid
    43403 UGM 1 C13 H10 N4 O InChI=1S/C13H10N4O/c14-6-
    11-4-10(7-16-8-11)5-13(18
    )17-12-2-1-3-15-9-12/h1-4
    ,7-9H,5H2,(H,17,18);
    DQOFNGNCBXHENB-UHFFFAOYSA-N    		 O=C(Cc1cncc(c1)C#N)Nc2cccnc2; N#Cc1cncc(
    c1)CC(=O)Nc2cccnc2; c1cc(cnc1)NC(=O)Cc2c
    c(cnc2)C#N    		 2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide
    43404 UGN 1 C15 H24 N2 O2 S InChI=1S/C15H24N2O2S/c1-1
    3(2)12-16-8-10-17(11-9-16
    )20(18,19)15-6-4-14(3)5-7
    -15/h4-7,13H,8-12H2,1-3H3;
    VDISKSVXKJQHCZ-UHFFFAOYSA-N    		 Cc1ccc(cc1)S(=O)(=O)N2CCN(CC2)CC(C)C; CC
    (C)CN1CCN(CC1)[S](=O)(=O)c2ccc(C)cc2    		 1-(4-methylphenyl)sulfonyl-4-(2-methylpropyl)piperazine
    43405 UGO 2 C22 H32 N5 O6 InChI=1S/C22H32N5O6/c28-1
    4-18-20(30)21(31)19(29)13
    -26(18)11-4-2-1-3-8-23-16
    -7-6-15(12-17(16)27(32)33
    )22-24-9-5-10-25-22/h5-7,
    9-10,12,18-21,23,28-32H,1
    -4,8,11,13-14H2/t18-,19+,
    20-,21-/m1/s1;
    WPRQGBYRQQLONQ-PLACYPQZSA-N    		 c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NCCCC
    CCN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O;
    OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1C
    CCCCCNc2ccc(cc2[N+]([OH-])=O)c3ncccn3; O
    C[CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2c
    cc(cc2[N+]([OH-])=O)c3ncccn3; O=N(=O)c1c
    c(ccc1NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ncccn
    1; c1cnc(nc1)c2ccc(c(c2)[N+](=O)[OH-])NC
    CCCCCN3CC(C(C(C3CO)O)O)O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-{6-[2-nitro-4-(pyrimidin-2-yl)anilino]hexyl}piperidine-3,4,5-triol
    43406 UGP 1 C15 H13 N3 O InChI=1S/C15H13N3O/c1-11-
    5-6-17-10-14(11)18-15(19)
    8-12-3-2-4-13(7-12)9-16/h
    2-7,10H,8H2,1H3,(H,18,19);
    OTFRLGRHXMKEAF-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)C#N; N(C(Cc1cc
    cc(C#N)c1)=O)c2cnccc2C    		 2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide
    43407 UGQ
    CHEMBL1327868
    ZINC000000029422    		 1 C16 H17 N O2 S InChI=1S/C16H17NO2S/c1-13
    -6-8-16(9-7-13)20(18,19)1
    7-11-10-14-4-2-3-5-15(14)
    12-17/h2-9H,10-12H2,1H3;
    ABXZGZXVLBYJDK-UHFFFAOYSA-N    		 Cc1ccc(cc1)[S](=O)(=O)N2CCc3ccccc3C2; Cc
    1ccc(cc1)S(=O)(=O)N2CCc3ccccc3C2    		 2-(4-methylphenyl)sulfonyl-3,4-dihydro-1~{H}-isoquinoline
    43408 UGR 2 C26 H26 N6 O5 S InChI=1S/C26H26N6O5S/c27-
    17(26(35)36)7-8-38-12-19-
    21(33)22(34)25(37-19)32-1
    1-16(20-23(28)30-13-31-24
    (20)32)6-5-14-9-15-3-1-2-
    4-18(15)29-10-14/h1-4,9-1
    1,13,17,19,21-22,25,33-34
    H,7-8,12,27H2,(H,35,36)(H
    2,28,30,31)/t17-,19+,21+,
    22+,25+/m0/s1;
    SPMFBZXXQBXKFX-LUOSIZPJSA-N    		 c1ccc2c(c1)cc(cn2)C#Cc3cn(c4c3c(ncn4)N)[
    C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H](C
    (=O)O)N)O)O; N[CH](CCSC[CH]1O[CH]([CH](O
    )[CH]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c(N)ncn
    c25)C(O)=O; N[C@@H](CCSC[C@H]1O[C@H]([C@
    H](O)[C@@H]1O)n2cc(C#Cc3cnc4ccccc4c3)c5c
    (N)ncnc25)C(O)=O; c1ccc2c(c1)cc(cn2)C#Cc
    3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O
    )N)O)O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    43409 UGS
    CHEMBL4744511    		 1 C18 H16 N2 O2 InChI=1S/C18H16N2O2/c1-22
    -16-8-9-19-17(12-16)20-18
    (21)11-13-6-7-14-4-2-3-5-
    15(14)10-13/h2-10,12H,11H
    2,1H3,(H,19,20,21);
    LGUXBXKDCLNCEH-UHFFFAOYSA-N    		 N(C(=O)Cc2cc1c(cccc1)cc2)c3cc(ccn3)OC; C
    Oc1ccnc(c1)NC(=O)Cc2ccc3ccccc3c2; COc1cc
    nc(NC(=O)Cc2ccc3ccccc3c2)c1    		 N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide
    43410 UGT
    ZINC000223071420    		 1 C16 H19 N3 O S InChI=1S/C16H19N3OS/c17-1
    6(15-5-2-8-21-15)19-13-4-
    1-3-12(9-13)11-20-14-6-7-
    18-10-14/h1-5,8-9,14,18H,
    6-7,10-11H2,(H2,17,19)/t1
    4-/m1/s1;
    OOJUYDKIKUNGMC-CQSZACIVSA-N    		 NC(=Nc1cccc(CO[C@@H]2CCNC2)c1)c3sccc3; c
    1cc(cc(c1)/N=C(\c2cccs2)/N)CO[C@@H]3CCNC
    3; c1cc(cc(c1)N=C(c2cccs2)N)COC3CCNC3; N
    C(=Nc1cccc(CO[CH]2CCNC2)c1)c3sccc3    		 N-[3-[[(3R)-pyrrolidin-3-yl]oxymethyl]phenyl]thiophene-2-carboximidamide
    43411 UGU
    CHEMBL815
    DB12789
    ZINC000003830709    		 3 C20 H34 O5 InChI=1S/C20H34O5/c1-2-3-
    6-9-15(21)12-13-17-16(18(
    22)14-19(17)23)10-7-4-5-8
    -11-20(24)25/h4,7,12-13,1
    5-19,21-23H,2-3,5-6,8-11,
    14H2,1H3,(H,24,25)/b7-4-,
    13-12+/t15-,16+,17+,18-,1
    9+/m0/s1;
    PXGPLTODNUVGFL-YNNPMVKQSA-N    		 CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O;
    CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O
    )[C@@H]1C\C=C/CCCC(O)=O; CCCCC[CH](O)C=C
    [CH]1[CH](O)C[CH](O)[CH]1CC=CCCCC(O)=O;
    CCCCC[C@@H](/C=C/[C@H]1[C@@H](C[C@@H]([C
    @@H]1C/C=C\CCCC(=O)O)O)O)O    		 (Z)-7-[(1R,2R,3R,5S)-3,5-bis(oxidanyl)-2-[(E,3S)-3-oxidanyloct-1-enyl]cyclopentyl]hept-5-enoic acid;
    Dinoprost;
    Prostaglandin F2a;
    PGF2alpha
    43412 UGV 1 C11 H9 Cl N2 O S InChI=1S/C11H9ClN2OS/c12-
    10-4-3-9(16-10)6-11(15)14
    -8-2-1-5-13-7-8/h1-5,7H,6
    H2,(H,14,15);
    VLAXFSPPTLAYDD-UHFFFAOYSA-N    		 c1cc(cnc1)NC(=O)Cc2ccc(s2)Cl; Clc1sc(CC(
    =O)Nc2cccnc2)cc1; n2cccc(NC(Cc1ccc(s1)Cl
    )=O)c2    		 2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide
    43413 UGW
    CHEMBL29873
    ZINC000001081075    		 2 C14 H22 O InChI=1S/C14H22O/c1-13(2,
    3)10-7-8-12(15)11(9-10)14
    (4,5)6/h7-9,15H,1-6H3;
    ICKWICRCANNIBI-UHFFFAOYSA-N    		 CC(C)(C)c1ccc(O)c(c1)C(C)(C)C; CC(C)(C)c
    1ccc(c(c1)C(C)(C)C)O    		 2,4-di~{tert}-butylphenol
    43414 UGX
    ZINC000095920975    		 1 C18 H23 N3 O2 S InChI=1S/C18H23N3O2S/c1-1
    8(2,3)11-20-16(22)7-14-8-
    19-17(23)15-6-13(9-21(14)
    15)12-4-5-24-10-12/h4-6,9
    -10,14H,7-8,11H2,1-3H3,(H
    ,19,23)(H,20,22)/t14-/m0/
    s1;
    PNMQDIXULZYDDT-AWEZNQCLSA-N    		 CC(C)(C)CNC(=O)C[CH]1CNC(=O)c2cc(cn12)c3
    cscc3; O=C3c2n(cc(c1ccsc1)c2)C(CC(=O)NCC
    (C)(C)C)CN3; CC(C)(C)CNC(=O)C[C@H]1CNC(=
    O)c2cc(cn12)c3cscc3; CC(C)(C)CNC(=O)CC1C
    NC(=O)c2n1cc(c2)c3ccsc3; CC(C)(C)CNC(=O)
    C[C@H]1CNC(=O)c2n1cc(c2)c3ccsc3    		 N-(2,2-dimethylpropyl)-2-[1-oxo-7-(thiophen-3-yl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazin-4-yl]acetamide
    43415 UGY 16 C3 H7 N3 O3 InChI=1S/C3H7N3O3/c4-1(2(
    7)8)6-3(5)9/h1H,4H2,(H,7,
    8)(H3,5,6,9)/t1-/m0/s1;
    VTFWFHCECSOPSX-SFOWXEAESA-N    		 C(C(=O)O)(N)NC(=O)N; [C@H](C(=O)O)(N)NC(
    =O)N; O=C(N)NC(N)C(=O)O; N[C@@H](NC(N)=O
    )C(O)=O; N[CH](NC(N)=O)C(O)=O    		 (2S)-amino(carbamoylamino)ethanoic acid;
    (S)-2-ureidoglycine
    43416 UGZ
    CHEMBL4865534    		 5 C25 H27 Cl N2 O5 S InChI=1S/C25H27ClN2O5S/c1
    -31-23-14-17(6-7-19(23)16
    -27-10-11-28-34(2,29)30)2
    0-4-3-5-21(25(20)26)18-8-
    9-22-24(15-18)33-13-12-32
    -22/h3-9,14-15,27-28H,10-
    13,16H2,1-2H3;
    XIYNVYMSOIQZSL-UHFFFAOYSA-N    		 COc1cc(ccc1CNCCNS(=O)(=O)C)c2cccc(c2Cl)c
    3ccc4c(c3)OCCO4; COc1cc(ccc1CNCCN[S](C)(
    =O)=O)c2cccc(c2Cl)c3ccc4OCCOc4c3    		 N-(2-((2'-chloro-3'-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)-3-methoxy-[1,1'-biphenyl]-4-yl)(methyl)amino)ethyl)methanesulfonamide;
    ~{N}-[2-[[4-[2-chloranyl-3-(2,3-dihydro-1,4-benzodioxin-6-yl)phenyl]-2-methoxy-phenyl]methylamino]ethyl]methanesulfonamide
    43417 UH0 0 C26 H31 F N8 O6 InChI=1S/C26H31FN8O6/c1-1
    4-8-21(23(37)25(38)40-14)
    33(2)13-22(36)29-11-17-12
    -35(26(39)41-17)16-5-6-18
    (19(27)9-16)15-4-7-20(28-
    10-15)24-30-32-34(3)31-24
    /h4-7,9-10,14,17,21,23,25
    ,37-38H,8,11-13H2,1-3H3,(
    H,29,36)/t14-,17+,21+,23-
    ,25-/m1/s1;
    REKLJVWYYWKOBN-FIWUYBIJSA-N    		 C[C@@H]1C[C@@H]([C@H]([C@@H](O1)O)O)N(C)
    CC(=O)NC[C@H]2CN(C(=O)O2)c3ccc(c(c3)F)c4
    ccc(nc4)c5nnn(n5)C; OC1C(CC(C)OC1O)N(C)C
    C(=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c
    (F)c2)C(=O)O1; CC1CC(C(C(O1)O)O)N(C)CC(=
    O)NCC2CN(C(=O)O2)c3ccc(c(c3)F)c4ccc(nc4)
    c5nnn(n5)C; C[C@@H]1C[C@@H]([C@@H](O)[C@
    H](O)O1)N(C)CC(=O)NC[C@H]2CN(C(=O)O2)c3c
    cc(c(F)c3)c4ccc(nc4)c5nnn(C)n5; C[CH]1C[
    CH]([CH](O)[CH](O)O1)N(C)CC(=O)NC[CH]2CN
    (C(=O)O2)c3ccc(c(F)c3)c4ccc(nc4)c5nnn(C)
    n5    		 ~{N}-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]-2-[methyl-[(2~{R},3~{R},4~{S},6~{R})-6-methyl-2,3-bis(oxidanyl)oxan-4-yl]amino]ethanamide
    43418 UH1 1 C14 H11 N3 O InChI=1S/C14H11N3O/c15-9-
    12-4-1-3-11(7-12)8-14(18)
    17-13-5-2-6-16-10-13/h1-7
    ,10H,8H2,(H,17,18);
    DSTLUTUEFNLBST-UHFFFAOYSA-N    		 c1cc(cc(c1)C#N)CC(=O)Nc2cccnc2; O=C(Cc1c
    ccc(c1)C#N)Nc2cccnc2; N(C(Cc1cc(ccc1)C#N
    )=O)c2cccnc2    		 2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide
    43419 UH2 2 C24 H25 N7 O5 S InChI=1S/C24H25N7O5S/c25-
    13(24(34)35)7-8-37-10-16-
    19(32)20(33)23(36-16)31-9
    -12(18-21(26)27-11-28-22(
    18)31)5-6-17-29-14-3-1-2-
    4-15(14)30-17/h1-4,9,11,1
    3,16,19-20,23,32-33H,7-8,
    10,25H2,(H,29,30)(H,34,35
    )(H2,26,27,28)/t13-,16+,1
    9+,20+,23+/m0/s1;
    PYEFDSOFRINBSR-IMYLTZEYSA-N    		 N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(
    C#Cc3[nH]c4ccccc4n3)c5c(N)ncnc25)C(O)=O;
    c1ccc2c(c1)[nH]c(n2)C#Cc3cn(c4c3c(ncn4)
    N)[C@H]5[C@@H]([C@@H]([C@H](O5)CSCC[C@@H
    ](C(=O)O)N)O)O; c1ccc2c(c1)[nH]c(n2)C#Cc
    3cn(c4c3c(ncn4)N)C5C(C(C(O5)CSCCC(C(=O)O
    )N)O)O; N[C@@H](CCSC[C@H]1O[C@H]([C@H](O
    )[C@@H]1O)n2cc(C#Cc3[nH]c4ccccc4n3)c5c(N
    )ncnc25)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-[2-(1~{H}-benzimidazol-2-yl)ethynyl]pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    43420 UH3 1 C14 H12 N4 O2 InChI=1S/C14H12N4O2/c1-7-
    12(17-6-16-7)5-10-9-4-8(1
    3(15)19)2-3-11(9)18-14(10
    )20/h2-6H,1H3,(H2,15,19)(
    H,16,17)(H,18,20);
    NQRCNELXESTXEP-UHFFFAOYSA-N    		 Cc1nc[nH]c1\C=C2/C(=O)Nc3ccc(cc23)C(N)=O
    ; Cc1nc[nH]c1C=C2C(=O)Nc3ccc(cc23)C(N)=O
    ; Cc1c([nH]cn1)/C=C\2/c3cc(ccc3NC2=O)C(=
    O)N; Cc1c([nH]cn1)C=C2c3cc(ccc3NC2=O)C(=
    O)N    		 (3~{Z})-3-[(4-methyl-1~{H}-imidazol-5-yl)methylidene]-2-oxidanylidene-1~{H}-indole-5-carboxamide
    43421 UH4 1 C11 H11 N3 O S InChI=1S/C11H11N3OS/c1-8-
    4-5-10(16-8)14-11(15)13-9
    -3-2-6-12-7-9/h2-7H,1H3,(
    H2,13,14,15);
    OCXJDZBTSLHCNX-UHFFFAOYSA-N    		 Cc1ccc(s1)NC(=O)Nc2cccnc2; N(C(Nc1ccc(s1
    )C)=O)c2cccnc2; Cc1sc(NC(=O)Nc2cccnc2)cc
    1    		 N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea
    43422 UH5 1 C17 H24 N4 O5 InChI=1S/C17H24N4O5/c18-7
    -4-8-25-17-14(16(24)15(23
    )13(10-22)26-17)21-9-12(1
    9-20-21)11-5-2-1-3-6-11/h
    1-3,5-6,9,13-17,22-24H,4,
    7-8,10,18H2/t13-,14+,15-,
    16-,17+/m1/s1;
    XCUIOLRELJNONY-JJTUDDRGSA-N    		 c1ccc(cc1)c2cn(nn2)C3C(C(C(OC3OCCCN)CO)O
    )O; c1ccc(cc1)c2cn(nn2)[C@H]3[C@H]([C@@H
    ]([C@H](O[C@@H]3OCCCN)CO)O)O; NCCCO[CH]1
    O[CH](CO)[CH](O)[CH](O)[CH]1n2cc(nn2)c3c
    cccc3; NCCCO[C@H]1O[C@H](CO)[C@@H](O)[C@
    H](O)[C@@H]1n2cc(nn2)c3ccccc3    		 3-Aminopropyl 2-deoxy-2-(4-phenyl-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside;
    (2~{R},3~{S},4~{R},5~{S},6~{S})-6-(3-azanylpropoxy)-2-(hydroxymethyl)-5-(4-phenyl-1,2,3-triazol-1-yl)oxane-3,4-diol
    43423 UH6 0 C58 H90 F N9 O15 S InChI=1S/C58H90FN9O15S/c1
    -15-44-58(10,76)49(71)35(
    6)66(12)28-31(2)24-56(8,7
    5)51(33(4)48(34(5)53(73)8
    1-44)82-46-25-57(9,77-14)
    50(72)36(7)79-46)83-54-47
    (70)43(22-32(3)78-54)65(1
    1)20-21-84-30-45(69)61-27
    -39-29-68(55(74)80-39)38-
    17-18-40(41(59)23-38)37-1
    6-19-42(60-26-37)52-62-64
    -67(13)63-52/h16-19,23,26
    ,31-36,39,43-44,46-51,54,
    70-72,75-76H,15,20-22,24-
    25,27-30H2,1-14H3,(H,61,6
    9)/t31-,32-,33+,34-,35-,3
    6+,39+,43+,44-,46+,47-,48
    +,49-,50+,51-,54+,56-,57-
    ,58-/m1/s1;
    QIHLNARXTPPOEY-KOXYHZPISA-N    		 CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[
    C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C
    )O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC
    )C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C
    CSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)
    c6ccc(nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O
    ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[
    C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[
    C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N
    (C)CCSCC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F
    )c5)c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@
    H](C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC
    [CH]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)
    [CH](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH]
    (C)C[CH]([CH]3O)N(C)CCSCC(=O)NC[CH]4CN(C
    (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7
    )[C](C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]
    1(C)O; Cn1nc(nn1)c1ccc(cn1)c1ccc(cc1F)N1
    CC(OC1=O)CNC(=O)CSCCN(C)C1CC(C)OC(OC2C(C
    )C(OC3CC(C)(OC)C(O)C(C)O3)C(C)C(=O)OC(CC
    )C(C)(O)C(O)C(C)N(C)CC(C)CC2(C)O)C1O; CC
    C1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2CC(
    C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)CC
    SCC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc
    (nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O    		 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[(2-{[2-({[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}amino)-2-oxoethyl]sulfanyl}ethyl)(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    43424 UH7
    CHEMBL4785977    		 1 C14 H13 Cl N2 O InChI=1S/C14H13ClN2O/c1-1
    0-5-6-16-9-13(10)17-14(18
    )8-11-3-2-4-12(15)7-11/h2
    -7,9H,8H2,1H3,(H,17,18);
    ZROFBWFSOGSOQG-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)Cl; Cc1ccncc1N
    C(=O)Cc2cccc(Cl)c2; N(C(Cc1cccc(c1)Cl)=O
    )c2cnccc2C    		 2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide
    43425 UH8 1 C14 H18 N4 O5 InChI=1S/C14H18N4O5/c1-22
    -14-11(13(21)12(20)10(7-1
    9)23-14)18-6-9(16-17-18)8
    -3-2-4-15-5-8/h2-6,10-14,
    19-21H,7H2,1H3/t10-,11+,1
    2-,13-,14+/m1/s1;
    GWSVVXWGZNVVOP-ITGHMWBKSA-N    		 CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H
    ]1n2cc(nn2)c3cccnc3; COC1C(C(C(C(O1)CO)O
    )O)n2cc(nn2)c3cccnc3; CO[C@@H]1[C@H]([C@
    H]([C@@H]([C@H](O1)CO)O)O)n2cc(nn2)c3ccc
    nc3; CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1
    n2cc(nn2)c3cccnc3    		 Methyl 2-deoxy-2-(4-(pyridine-3-yl))-1,2,3-triazol-1-yl)-alpha-D-mannopyranoside;
    (2~{R},3~{S},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-methoxy-5-(4-pyridin-3-yl-1,2,3-triazol-1-yl)oxane-3,4-diol
    43426 UH9 1 C16 H15 F3 N O5 P InChI=1S/C16H15F3NO5P/c17
    -12-5-3-4-11(8-12)16(18,1
    9)10-20-15(21)9-25-13-6-1
    -2-7-14(13)26(22,23)24/h1
    -8H,9-10H2,(H,20,21)(H2,2
    2,23,24);
    CWLSIOCFRIMBMV-UHFFFAOYSA-N    		 c1ccc(c(c1)OCC(=O)NCC(c2cccc(c2)F)(F)F)P
    (=O)(O)O; O[P](O)(=O)c1ccccc1OCC(=O)NCC(
    F)(F)c2cccc(F)c2    		 [2-[2-[[2,2-bis(fluoranyl)-2-(3-fluorophenyl)ethyl]amino]-2-oxidanylidene-ethoxy]phenyl]phosphonic acid
    43427 UHA 1 C15 H15 Cl N2 O InChI=1S/C15H15ClN2O/c1-1
    0-6-7-17-9-14(10)18-15(19
    )11(2)12-4-3-5-13(16)8-12
    /h3-9,11H,1-2H3,(H,18,19)
    /t11-/m1/s1;
    WNGGAWMEODUSED-LLVKDONJSA-N    		 C[CH](C(=O)Nc1cnccc1C)c2cccc(Cl)c2; n1cc
    c(C)c(c1)NC(C(c2cccc(Cl)c2)C)=O; Cc1ccnc
    c1NC(=O)[C@H](C)c2cccc(c2)Cl; Cc1ccncc1N
    C(=O)C(C)c2cccc(c2)Cl; C[C@@H](C(=O)Nc1c
    nccc1C)c2cccc(Cl)c2    		 (2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide
    43428 UHB
    CHEMBL1173120    		 26 C24 H27 N9 O6 InChI=1S/C24H25N9O6/c25-2
    0-16-21(28-10-27-20)33(11
    -29-16)24-18(36)17(35)19(
    39-24)23(38)32-6-4-31(5-7
    -32)9-15(34)30-14-3-1-2-1
    2-13(14)8-26-22(12)37/h1-
    3,8,10-11,17-19,24,35-36H
    ,4-7,9H2,(H,26,37)(H2,25,
    27,28)/b30-14-/t17-,18+,1
    9-,24+/m0/s1;
    QEUOCRGVJJDDTK-VBFAUCSFSA-N    		 c1cc2c(c(c1)NC(=O)CN3CCN(CC3)C(=O)[C@@H]
    4[C@H]([C@H]([C@@H](O4)n5cnc6c5ncnc6N)O)
    O)CNC2=O; Nc1ncnc2n(cnc12)[CH]3O[CH]([CH
    ](O)[CH]3O)C(=O)N4CCN(CC4)CC(=O)Nc5cccc6
    C(=O)NCc56; Nc1ncnc2n(cnc12)[C@@H]3O[C@@
    H]([C@@H](O)[C@H]3O)C(=O)N4CCN(CC4)CC(=O
    )Nc5cccc6C(=O)NCc56; c1cc2c(c(c1)NC(=O)C
    N3CCN(CC3)C(=O)C4C(C(C(O4)n5cnc6c5ncnc6N
    )O)O)CNC2=O; O=C6C5=CC=C/C(=N/C(=O)CN4CC
    N(C(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)CC4
    )C5=CN6    		 2-[4-[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]carbonylpiperazin-1-yl]-N-(1-oxidanylidene-2,3-dihydroisoindol-4-yl)ethanamide
    43429 UHC 3 C19 H35 N2 O9 P S InChI=1S/C19H35N2O9PS/c1-
    4-5-6-7-14(22)12-16(24)32
    -11-10-20-15(23)8-9-21-18
    (26)17(25)19(2,3)13-30-31
    (27,28)29/h17,25H,4-13H2,
    1-3H3,(H,20,23)(H,21,26)(
    H2,27,28,29)/t17-/m1/s1;
    HGKMRNVHDOTSFB-QGZVFWFLSA-N    		 CCCCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[C@H](C
    (C)(C)COP(=O)(O)O)O; CCCCCC(=O)CC(=O)SCC
    NC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)O)O; CC
    CCCC(=O)CC(=O)SCCNC(=O)CCNC(=O)[CH](O)C(
    C)(C)CO[P](O)(O)=O; CCCCCC(=O)CC(=O)SCCN
    C(=O)CCNC(=O)[C@@H](O)C(C)(C)CO[P](O)(O)
    =O    		 ~{S}-[2-[3-[[(2~{S})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]propanoylamino]ethyl] 3-oxidanylideneoctanethioate
    43430 UHD
    DB04799
    ZINC000014881301    		 1 C18 H25 N O3 S InChI=1S/C18H25NO3S/c1-2-
    3-4-5-6-7-8-9-10-11-13-15
    (20)14-18(23-12-19-14)17(
    22)16(13)21/h12,21H,2-11H
    2,1H3;
    QCWGBMWYLYKEIU-UHFFFAOYSA-N    		 O=C2c1scnc1C(=O)C(=C2O)CCCCCCCCCCC; CCCC
    CCCCCCCC1=C(O)C(=O)c2scnc2C1=O; CCCCCCCC
    CCCC1=C(C(=O)c2c(ncs2)C1=O)O    		 6-HYDROXY-5-UNDECYL-1,3-BENZOTHIAZOLE-4,7-DIONE;
    3-UNDECYL-2-HYDROXYDIOXOBENZOTHIAZOL;
    UHDBT
    43431 UHE 1 C13 H19 N O2 S InChI=1S/C13H19NO2S/c1-9(
    2)8-12(17)13(15)14-10-4-6
    -11(16-3)7-5-10/h4-7,9,12
    ,17H,8H2,1-3H3,(H,14,15)/
    t12-/m0/s1;
    HDLRYABNVVOQJO-LBPRGKRZSA-N    		 CC(C)CC(C(=O)Nc1ccc(cc1)OC)S; CC(C)C[C@@
    H](C(=O)Nc1ccc(cc1)OC)S; COc1ccc(NC(=O)[
    CH](S)CC(C)C)cc1; COc1ccc(NC(=O)[C@@H](S
    )CC(C)C)cc1    		 (S)-2-mercapto-N-(4-methoxyphenyl)-4-methylpentanamide;
    (2~{S})-~{N}-(4-methoxyphenyl)-4-methyl-2-sulfanyl-pentanamide
    43432 UHF
    ZINC000034886883    		 1 C19 H30 N4 O4 InChI=1S/C19H30N4O4/c1-5-
    6-7-15(11-23(27)12-24)18(
    25)17(13(2)3)22-19(26)21-
    16-9-8-14(4)10-20-16/h8-1
    0,12-13,15,17,27H,5-7,11H
    2,1-4H3,(H2,20,21,22,26)/
    t15-,17+/m1/s1;
    AMPUUHFRILVRDV-WBVHZDCISA-N    		 CCCCC(CN(C=O)O)C(=O)C(C(C)C)NC(=O)Nc1ccc
    (cn1)C; O=C(Nc1ncc(cc1)C)NC(C(=O)C(CCCC)
    CN(O)C=O)C(C)C; CCCC[CH](CN(O)C=O)C(=O)[
    CH](NC(=O)Nc1ccc(C)cn1)C(C)C; CCCC[C@H](
    CN(C=O)O)C(=O)[C@H](C(C)C)NC(=O)Nc1ccc(c
    n1)C; CCCC[C@H](CN(O)C=O)C(=O)[C@@H](NC(
    =O)Nc1ccc(C)cn1)C(C)C    		 N-((2R,4S)-2-butyl-5-methyl-4-(3-(5-methylpyridin-2-yl)ureido)-3-oxohexyl)-N-hydroxyformamide
    43433 UHG
    CHEMBL2171250
    ZINC000001869694    		 1 C15 H12 Cl N O2 InChI=1S/C15H12ClNO2/c1-8
    (15(18)19)9-2-4-11-12-7-1
    0(16)3-5-13(12)17-14(11)6
    -9/h2-8,17H,1H3,(H,18,19)
    /t8-/m1/s1;
    PUXBGTOOZJQSKH-MRVPVSSYSA-N    		 C[C@@H](C(O)=O)c1ccc2c([nH]c3ccc(Cl)cc23
    )c1; C[CH](C(O)=O)c1ccc2c([nH]c3ccc(Cl)c
    c23)c1; CC(c1ccc2c3cc(ccc3[nH]c2c1)Cl)C(
    =O)O; C[C@H](c1ccc2c3cc(ccc3[nH]c2c1)Cl)
    C(=O)O; c3cc2c1cc(Cl)ccc1nc2cc3C(C)C(O)=
    O    		 (2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid
    43434 UHH 1 C24 H39 N O4 InChI=1S/C24H39NO4/c1-13(
    4-7-21(25)29)16-5-6-17-22
    -18(12-20(28)24(16,17)3)2
    3(2)9-8-15(26)10-14(23)11
    -19(22)27/h8-9,13-20,22,2
    6-28H,4-7,10-12H2,1-3H3,(
    H2,25,29)/t13-,14+,15-,16
    -,17+,18+,19-,20+,22+,23+
    ,24-/m1/s1;
    FMNKZHQYXMWDCG-OELDTZBJSA-N    		 C[C@H](CCC(=O)N)C1CC[C@@H]2[C@@]1([C@H](
    C[C@H]3[C@H]2[C@@H](C[C@H]4[C@@]3(C=C[C@
    H](C4)O)C)O)O)C; C[CH](CCC(N)=O)[CH]1CC[
    CH]2[CH]3[CH](O)C[CH]4C[CH](O)C=C[C]4(C)
    [CH]3C[CH](O)[C]12C; CC(CCC(=O)N)C1CCC2C
    1(C(CC3C2C(CC4C3(C=CC(C4)O)C)O)O)C; O=C(
    N)CCC(C3CCC2C1C(O)CC4CC(O)C=CC4(C)C1CC(O
    )C23C)C; C[C@H](CCC(N)=O)[C@H]1CC[C@H]2[
    C@@H]3[C@H](O)C[C@@H]4C[C@H](O)C=C[C@]4(
    C)[C@H]3C[C@H](O)[C@]12C    		 (3ALPHA,5ALPHA,7ALPHA,8ALPHA,12ALPHA,14BETA,17ALPHA)-3,7,12-TRIHYDROXYCHOL-1-EN-24-AMIDE
    43435 UHI
    CHEMBL4650366    		 1 C21 H21 N O4 S InChI=1S/C21H21NO4S/c1-22
    -12-19(16-5-3-4-6-17(16)2
    1(22)23)18-11-15(27(2,24)
    25)9-10-20(18)26-13-14-7-
    8-14/h3-6,9-12,14H,7-8,13
    H2,1-2H3;
    UWZAJPITKGWMFJ-UHFFFAOYSA-N    		 CS(=O)(=O)c1cc(C2=CN(C)C(=O)c3ccccc23)c(
    OCC2CC2)cc1; CN1C=C(c2ccccc2C1=O)c3cc(cc
    c3OCC4CC4)[S](C)(=O)=O; CN1C=C(c2ccccc2C
    1=O)c3cc(ccc3OCC4CC4)S(=O)(=O)C    		 (4P)-4-[2-(cyclopropylmethoxy)-5-(methanesulfonyl)phenyl]-2-methylisoquinolin-1(2H)-one;
    Trotabresib
    43436 UHJ
    CHEMBL4436648    		 2 C16 H14 N4 O3 S2 InChI=1S/C16H14N4O3S2/c1-
    25(22,23)20-13-4-2-11(3-5
    -13)12-6-10(8-18-9-12)7-1
    4-15(21)19-16(17)24-14/h2
    -9,20H,1H3,(H2,17,19,21)/
    b14-7-;
    AGHDPPGOJJYURV-AUWJEWJLSA-N    		 CS(Nc1ccc(cc1)c2cncc(c2)[C@H]=C3C(=O)N/C
    (S3)=N)(=O)=O; [H]/N=C/1\NC(=O)/C(=C/c2c
    c(cnc2)c3ccc(cc3)NS(=O)(=O)C)/S1; C[S](=
    O)(=O)Nc1ccc(cc1)c2cncc(C=C3SC(=N)NC3=O)
    c2; C[S](=O)(=O)Nc1ccc(cc1)c2cncc(/C=C/3
    SC(=N)NC/3=O)c2; CS(=O)(=O)Nc1ccc(cc1)c2
    cc(cnc2)C=C3C(=O)NC(=N)S3    		 N-[4-(5-{(Z)-[(2E)-2-imino-4-oxo-1,3-thiazolidin-5-ylidene]methyl}pyridin-3-yl)phenyl]methanesulfonamide
    43437 UHK 2 C13 H19 N O S InChI=1S/C13H19NOS/c1-9(2
    )8-12(16)13(15)14-11-6-4-
    10(3)5-7-11/h4-7,9,12,16H
    ,8H2,1-3H3,(H,14,15)/t12-
    /m0/s1;
    BYBVNNWQUAPBOD-LBPRGKRZSA-N    		 Cc1ccc(cc1)NC(=O)C(CC(C)C)S; CC(C)C[C@H]
    (S)C(=O)Nc1ccc(C)cc1; Cc1ccc(cc1)NC(=O)[
    C@H](CC(C)C)S; CC(C)C[CH](S)C(=O)Nc1ccc(
    C)cc1    		 (S)-2-mercapto-4-methyl-N-(p-tolyl)pentanamide;
    (2~{S})-4-methyl-~{N}-(4-methylphenyl)-2-sulfanyl-pentanamide
    43438 UHL
    ZINC000043830626    		 6 C5 H9 N3 O2 InChI=1S/C5H9N3O2/c1-9-3-
    2-4-7-8-5(6)10-4/h2-3H2,1
    H3,(H2,6,8);
    NOHAGGWBLILEEG-UHFFFAOYSA-N    		 COCCc1nnc(o1)N; COCCc1oc(N)nn1 5-(2-methoxyethyl)-1,3,4-oxadiazol-2-amine
    43439 UHM 1 C13 H11 N3 O2 S InChI=1S/C13H11N3O2S/c14-
    5-6-18-12-4-2-1-3-11(12)1
    3(17)15-7-10-8-16-19-9-10
    /h1-4,8-9H,6-7H2,(H,15,17
    );
    PZOXHLAZHKNFDQ-UHFFFAOYSA-N    		 n2scc(CNC(c1c(OCC#N)cccc1)=O)c2; c1ccc(c
    (c1)C(=O)NCc2cnsc2)OCC#N; O=C(NCc1csnc1)
    c2ccccc2OCC#N    		 2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide
    43440 UHN 1 C16 H22 N2 O3 S InChI=1S/C16H22N2O3S/c19-
    13-14-3-5-16(6-4-14)22(20
    ,21)18-11-7-15(8-12-18)17
    -9-1-2-10-17/h3-6,13,15H,
    1-2,7-12H2;
    OBIKKFYXQXDQPX-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCC(CC2)N3CCCC3;
    O=Cc1ccc(cc1)[S](=O)(=O)N2CCC(CC2)N3CCC
    C3    		 4-(4-pyrrolidin-1-ylpiperidin-1-yl)sulfonylbenzaldehyde
    43441 UHO
    CHEMBL5569060    		 2 C23 H25 N3 O6 S2 InChI=1S/C23H25N3O6S2/c24
    -33(29,30)21-11-9-18(10-1
    2-21)13-14-26(34(31,32)22
    -7-2-1-3-8-22)17-19-5-4-6
    -20(15-19)25-16-23(27)28/
    h1-12,15,25H,13-14,16-17H
    2,(H,27,28)(H2,24,29,30);
    PXERSONYQKALBK-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c
    2)[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(=
    O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c
    3)NCC(=O)O    		 2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid
    43442 UHP 0 C51 H85 N7 O17 InChI=1S/C51H85N7O17/c1-1
    4-38-51(10,67)44(63)31(6)
    55(11)22-27(2)20-49(8,66)
    46(29(4)43(30(5)47(65)73-
    38)74-40-21-50(9,70-13)45
    (64)32(7)72-40)75-48-42(6
    2)37(19-28(3)71-48)56(12)
    23-34-24-57(54-53-34)25-3
    9(60)52-36(26-59)41(61)33
    -15-17-35(18-16-33)58(68)
    69/h15-18,24,27-32,36-38,
    40-46,48,59,61-64,66-67H,
    14,19-23,25-26H2,1-13H3,(
    H,52,60)/t27-,28-,29+,30-
    ,31-,32+,36-,37+,38-,40+,
    41-,42-,43+,44-,45+,46-,4
    8+,49-,50-,51-/m1/s1;
    CFLQVSVZEFCGKJ-DBMBZOQASA-N    		 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C
    C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)
    Cc4cn(nn4)CC(=O)NC(CO)C(c5ccc(cc5)[N+](=
    O)[O-])O)O)(C)O)C)C)C)O)(C)O; CC[C@H]1OC
    (=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[
    C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H
    ]3O[C@H](C)C[C@@H]([C@H]3O)N(C)Cc4cn(CC(
    =O)N[C@H](CO)[C@H](O)c5ccc(cc5)[N+]([O-]
    )=O)nn4)[C@](C)(O)C[C@@H](C)CN(C)[C@H](C
    )[C@@H](O)[C@]1(C)O; CC[CH]1OC(=O)[CH](C
    )[CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)
    [CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N
    (C)Cc4cn(CC(=O)N[CH](CO)[CH](O)c5ccc(cc5
    )[N+]([O-])=O)nn4)[C](C)(O)C[CH](C)CN(C)
    [CH](C)[CH](O)[C]1(C)O; [O-][N+](=O)c1cc
    c(cc1)C(O)C(CO)NC(=O)Cn1cc(nn1)CN(C)C1CC
    (C)OC(OC2C(C)C(OC3CC(C)(OC)C(O)C(C)O3)C(
    C)C(=O)OC(CC)C(C)(O)C(O)C(C)N(C)CC(C)CC2
    (C)O)C1O; CC[C@@H]1[C@@]([C@@H]([C@H](N(
    C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H]
    (C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2
    )C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](
    O3)C)N(C)Cc4cn(nn4)CC(=O)N[C@H](CO)[C@@H
    ](c5ccc(cc5)[N+](=O)[O-])O)O)(C)O)C)C)C)
    O)(C)O    		 (2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-3,5,6,8,10,12,14-heptamethyl-15-oxo-11-({3,4,6-trideoxy-3-[{[1-(2-{[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]amino}-2-oxoethyl)-1H-1,2,3-triazol-4-yl]methyl}(methyl)amino]-beta-D-xylo-hexopyranosyl}oxy)-1-oxa-6-azacyclopentadecan-13-yl 2,6-dideoxy-3-C-methyl-3-O-methyl-alpha-L-ribo-hexopyranoside
    43443 UHQ 1 C14 H20 N2 O3 S InChI=1S/C14H20N2O3S/c1-1
    5(2)13-7-9-16(10-8-13)20(
    18,19)14-5-3-12(11-17)4-6
    -14/h3-6,11,13H,7-10H2,1-
    2H3;
    ULLUZZQSRUXOKA-UHFFFAOYSA-N    		 CN(C)C1CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O; C
    N(C)C1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2    		 4-[4-(dimethylamino)piperidin-1-yl]sulfonylbenzaldehyde
    43444 UHR
    ZINC000005133888    		 2 C6 H13 N O InChI=1S/C6H13NO/c7-5-6-3
    -1-2-4-8-6/h6H,1-5,7H2/t6
    -/m1/s1;
    NYGCBQKDTGBHSC-ZCFIWIBFSA-N    		 C1CCO[C@H](C1)CN; NC[CH]1CCCCO1; C1CCOC(
    C1)CN; NC[C@H]1CCCCO1    		 [(2R)-oxan-2-yl]methanamine
    43445 UHS 1 C21 H30 N4 O3 InChI=1S/C21H30N4O3/c1-8-
    17(26)25(16-12-15(28-24-1
    6)20(2,3)4)18(14-10-9-11-
    22-13-14)19(27)23-21(5,6)
    7/h9-13,18H,8H2,1-7H3,(H,
    23,27)/t18-/m1/s1;
    BFKJCDNTNNMOGO-GOSISDBHSA-N    		 CCC(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccnc1)
    c2cc(on2)C(C)(C)C; CCC(=O)N([CH](C(=O)NC
    (C)(C)C)c1cccnc1)c2cc(on2)C(C)(C)C; CCC(
    =O)N(c1cc(on1)C(C)(C)C)[C@H](c2cccnc2)C(
    =O)NC(C)(C)C; N(C(C)(C)C)C(=O)C(N(c1noc(
    C(C)(C)C)c1)C(=O)CC)c2cnccc2; CCC(=O)N(c
    1cc(on1)C(C)(C)C)C(c2cccnc2)C(=O)NC(C)(C
    )C    		 N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide
    43446 UHT 1 C14 H19 N O3 S InChI=1S/C14H19NO3S/c1-15
    (13-5-3-2-4-6-13)19(17,18
    )14-9-7-12(11-16)8-10-14/
    h7-11,13H,2-6H2,1H3;
    WNAONUSEYNPQAW-UHFFFAOYSA-N    		 CN(C1CCCCC1)S(=O)(=O)c2ccc(cc2)C=O; CN(C
    1CCCCC1)[S](=O)(=O)c2ccc(C=O)cc2    		 ~{N}-cyclohexyl-4-methanoyl-~{N}-methyl-benzenesulfonamide
    43447 UHU 1 C6 H11 N O3 InChI=1S/C6H11NO3/c8-1-2-
    3-4(7-3)6(10)5(2)9/h2-10H
    ,1H2/t2-,3+,4+,5+,6+/m1/s
    1;
    SXRBQPPVANNBHT-URLGYRAOSA-N    		 C([C@@H]1[C@H]2[C@H](N2)[C@@H]([C@H]1O)O
    )O; OC[CH]1[CH](O)[CH](O)[CH]2N[CH]12; O
    C[C@H]1[C@H](O)[C@@H](O)[C@H]2N[C@@H]12;
    C(C1C2C(N2)C(C1O)O)O    		 (1~{S},2~{S},3~{S},4~{S},5~{S})-4-(hydroxymethyl)-6-azabicyclo[3.1.0]hexane-2,3-diol
    43448 UHV 2 C25 H30 N4 O4 InChI=1S/C25H30N4O4/c1-7-
    22(30)29(21-14-20(33-28-2
    1)25(3,4)5)23(17-9-8-12-2
    6-15-17)24(31)27-19-11-10
    -18(32-6)13-16(19)2/h8-15
    ,23H,7H2,1-6H3,(H,27,31)/
    t23-/m1/s1;
    UCJCNZJAAQBBMU-HSZRJFAPSA-N    		 CCC(=O)N([CH](C(=O)Nc1ccc(OC)cc1C)c2cccn
    c2)c3cc(on3)C(C)(C)C; N(c1c(cc(cc1)OC)C)
    C(=O)C(c2cccnc2)N(c3noc(c3)C(C)(C)C)C(=O
    )CC; CCC(=O)N(c1cc(on1)C(C)(C)C)[C@H](c2
    cccnc2)C(=O)Nc3ccc(cc3C)OC; CCC(=O)N([C@
    @H](C(=O)Nc1ccc(OC)cc1C)c2cccnc2)c3cc(on
    3)C(C)(C)C; CCC(=O)N(c1cc(on1)C(C)(C)C)C
    (c2cccnc2)C(=O)Nc3ccc(cc3C)OC    		 N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    43449 UHW
    ZINC000072206381    		 1 C12 H16 N2 O3 S InChI=1S/C12H16N2O3S/c1-1
    3-6-8-14(9-7-13)18(16,17)
    12-4-2-11(10-15)3-5-12/h2
    -5,10H,6-9H2,1H3;
    YIEAFXUNUVTOQC-UHFFFAOYSA-N    		 CN1CCN(CC1)[S](=O)(=O)c2ccc(C=O)cc2; CN1
    CCN(CC1)S(=O)(=O)c2ccc(cc2)C=O    		 4-(4-methylpiperazin-1-yl)sulfonylbenzaldehyde
    43450 UHX
    CHEMBL3318911
    ZINC000222801218    		 4 C19 H16 F N5 O InChI=1S/C19H16FN5O/c1-26
    -13-8-4-10(5-9-13)14-15-1
    7(21)24-19(22)25-18(15)23
    -16(14)11-2-6-12(20)7-3-1
    1/h2-9H,1H3,(H5,21,22,23,
    24,25);
    MTCWKPIXTKCOED-UHFFFAOYSA-N    		 COc1ccc(cc1)c2c3c(nc(nc3[nH]c2c4ccc(cc4)
    F)N)N; COc1ccc(cc1)c2c([nH]c3nc(N)nc(N)c
    23)c4ccc(F)cc4; Fc4ccc(c2c(c1c(nc(nc1n2)
    N)N)c3ccc(OC)cc3)cc4    		 6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    43451 UHY 1 C27 H32 N4 O2 InChI=1S/C27H32N4O2/c1-6-
    20-11-8-10-19(5)25(20)30-
    27(33)26(21-12-9-15-28-16
    -21)31(24(32)7-2)22-13-14
    -23(18(3)4)29-17-22/h8-18
    ,26H,6-7H2,1-5H3,(H,30,33
    )/t26-/m1/s1;
    HPKVUDPRFZVZGF-AREMUKBSSA-N    		 CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3ccc
    (nc3)C(C)C)C(=O)CC)C; CCc1cccc(c1NC(=O)C
    (c2cccnc2)N(c3ccc(nc3)C(C)C)C(=O)CC)C; C
    CC(=O)N([C@@H](C(=O)Nc1c(C)cccc1CC)c2ccc
    nc2)c3ccc(nc3)C(C)C; CCC(=O)N([CH](C(=O)
    Nc1c(C)cccc1CC)c2cccnc2)c3ccc(nc3)C(C)C;
    N(c1c(cccc1C)CC)C(=O)C(N(c2cnc(C(C)C)cc
    2)C(CC)=O)c3cnccc3    		 N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide
    43452 UHZ 1 C8 H7 N O6 S InChI=1S/C8H7NO6S/c1-16(1
    3,14)15-8-4-6(5-10)2-3-7(
    8)9(11)12/h2-5H,1H3;
    RCBIWLRDSYSENV-UHFFFAOYSA-N    		 CS(=O)(=O)Oc1cc(ccc1[N+](=O)[O-])C=O; C[
    S](=O)(=O)Oc1cc(C=O)ccc1[N+]([O-])=O    		 (5-methanoyl-2-nitro-phenyl) methanesulfonate
    43453 UI0 0 C40 H46 F N5 O8 InChI=1S/C40H46FN5O8/c1-4
    -9-27-14-15-35(48)42-16-7
    -10-25(2)18-31(47)20-30(4
    1)21-36-44-32(24-52-36)38
    (49)46-17-8-13-33(46)39(5
    0)54-37(27)26(3)23-53-40(
    51)45-34-19-28-11-5-6-12-
    29(28)22-43-34/h4-7,10-12
    ,14-15,18-19,22,24,26-27,
    30-31,33,37,47H,1,8-9,13,
    16-17,20-21,23H2,2-3H3,(H
    ,42,48)(H,43,45,51)/b10-7
    +,15-14+,25-18+/t26-,27-,
    30-,31-,33-,37-/m1/s1;
    DSEOAUQIAHJNDH-LTEKMTOYSA-N    		 C[C@H](COC(=O)Nc1cc2ccccc2cn1)[C@H]3OC(=
    O)[C@H]4CCCN4C(=O)c5coc(C[C@H](F)C[C@H](
    O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]3CC=C)n5;
    CC1=CC(CC(Cc2nc(co2)C(=O)N3CCCC3C(=O)OC
    (C(C=CC(=O)NCC=C1)CC=C)C(C)COC(=O)Nc4cc5
    ccccc5cn4)F)O; CC(COC(=O)Nc1cc2ccccc2cn1
    )C1OC(=O)C2CCCN2C(=O)c2nc(oc2)CC(F)CC(O)
    C=C(C)C=CCNC(=O)C=CC1CC=C; C[CH](COC(=O)
    Nc1cc2ccccc2cn1)[CH]3OC(=O)[CH]4CCCN4C(=
    O)c5coc(C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)
    C=C[CH]3CC=C)n5; C/C/1=C\[C@H](C[C@H](Cc
    2nc(co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C
    @@H](/C=C/C(=O)NC\C=C1)CC=C)[C@H](C)COC(
    =O)Nc4cc5ccccc5cn4)F)O    		 (2R)-2-[(3S,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-4-(prop-2-en-1-yl)-4,7,8,9,14,15,16,17,24,25,26,26a-dodecahydro-1H,3H,22H-21,18-(azeno)pyrrolo[2,1-c][1,8,4,19]dioxadiazacyclotetracosin-3-yl]propyl isoquinolin-3-ylcarbamate
    43454 UI1
    CHEMBL104166
    DB03082
    ZINC000005940890    		 1 C23 H21 N7 O InChI=1S/C23H21N7O/c24-13
    -14-2-6-18(7-3-14)29-22(3
    1)17-10-15-4-5-16(21(25)2
    6)11-19(15)20(12-17)30-23
    -27-8-1-9-28-23/h1-12H,13
    ,24H2,(H3,25,26)(H,29,31)
    (H,27,28,30);
    CSWQJKHBMACTGB-UHFFFAOYSA-N    		 c1cnc(nc1)Nc2cc(cc3c2cc(cc3)C(=N)N)C(=O)
    Nc4ccc(cc4)CN; NCc1ccc(NC(=O)c2cc(Nc3ncc
    cn3)c4cc(ccc4c2)C(N)=N)cc1; NCc1ccc(cc1)
    NC(=O)c1cc(Nc2ncccn2)c2cc(ccc2c1)C(=N)N    		 6-[(Z)-AMINO(IMINO)METHYL]-N-[4-(AMINOMETHYL)PHENYL]-4-(PYRIMIDIN-2-YLAMINO)-2-NAPHTHAMIDE
    43455 UI2
    CHEMBL103043
    DB04059
    ZINC000005933825    		 1 C15 H13 N5 InChI=1S/C15H13N5/c16-14(
    17)11-6-5-10-3-1-4-13(12(
    10)9-11)20-15-18-7-2-8-19
    -15/h1-9H,(H3,16,17)(H,18
    ,19,20);
    GRQLDCHTDNYVQI-UHFFFAOYSA-N    		 c1cc2ccc(cc2c(c1)Nc3ncccn3)C(=N)N; NC(=N
    )c1ccc2cccc(Nc3ncccn3)c2c1; n1cccnc1Nc2c
    ccc3c2cc(C(=[N@H])N)cc3    		 8-(PYRIMIDIN-2-YLAMINO)NAPHTHALENE-2-CARBOXIMIDAMIDE
    43456 UI3
    CHEMBL321944
    DB03046
    ZINC000012503001    		 2 C16 H16 N4 O3 S InChI=1S/C16H16N4O3S/c1-2
    3-14-6-5-10-3-4-11(16(17)
    18)7-13(10)15(14)12-8-19-
    20(9-12)24(2,21)22/h3-9H,
    1-2H3,(H3,17,18);
    KQUXAFOLFXHVQN-UHFFFAOYSA-N    		 COc1ccc2ccc(cc2c1c3cnn(c3)[S](C)(=O)=O)C
    (N)=N; O=S(=O)(n3ncc(c1c(OC)ccc2c1cc(C(=
    [N@H])N)cc2)c3)C; [H]/N=C(/c1ccc2ccc(c(c
    2c1)c3cnn(c3)S(=O)(=O)C)OC)\N; [H]N=C(c1
    ccc2ccc(c(c2c1)c3cnn(c3)S(=O)(=O)C)OC)N    		 7-METHOXY-8-[1-(METHYLSULFONYL)-1H-PYRAZOL-4-YL]NAPHTHALENE-2-CARBOXIMIDAMIDE
    43457 UI4
    ZINC000005940833    		 8 C11 H9 N O InChI=1S/C11H9NO/c13-10-6
    -4-9(5-7-10)11-3-1-2-8-12
    -11/h1-8,13H;
    VQHMPVXKDCHHSR-UHFFFAOYSA-N    		 Oc1ccc(cc1)c2ccccn2; c1ccnc(c1)c2ccc(cc2
    )O    		 4-pyridin-2-ylphenol
    43458 UI5 2 C6 H13 N O3 InChI=1S/C6H13NO3/c7-4-1-
    5(9)6(10)3(4)2-8/h3-6,8-1
    0H,1-2,7H2/t3-,4-,5+,6+/m
    1/s1;
    XJKPQBOZNVQXOP-ZXXMMSQZSA-N    		 C1C(C(C(C1O)O)CO)N; N[CH]1C[CH](O)[CH](O
    )[CH]1CO; N[C@@H]1C[C@H](O)[C@@H](O)[C@@
    H]1CO; C1[C@H]([C@H]([C@@H]([C@H]1O)O)CO
    )N    		 (1~{S},2~{S},3~{S},4~{R})-4-azanyl-3-(hydroxymethyl)cyclopentane-1,2-diol
    43459 UI6 0 C56 H86 F N9 O15 InChI=1S/C56H86FN9O15/c1-
    15-42-56(10,74)47(69)33(6
    )63(11)26-29(2)22-54(8,73
    )49(31(4)46(32(5)51(71)79
    -42)80-44-23-55(9,75-14)4
    8(70)34(7)77-44)81-52-45(
    68)41(20-30(3)76-52)64(12
    )28-43(67)59-25-37-27-66(
    53(72)78-37)36-17-18-38(3
    9(57)21-36)35-16-19-40(58
    -24-35)50-60-62-65(13)61-
    50/h16-19,21,24,29-34,37,
    41-42,44-49,52,68-70,73-7
    4H,15,20,22-23,25-28H2,1-
    14H3,(H,59,67)/t29-,30-,3
    1+,32-,33-,34+,37+,41+,42
    -,44+,45-,46+,47-,48+,49-
    ,52+,54-,55-,56-/m1/s1;
    CCCPNDPSMZJBSW-DALIEQGVSA-N    		 CCC1C(C(C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC2C
    C(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)
    CC(=O)NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(
    nc6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; CC[C
    H]1OC(=O)[CH](C)[CH](O[CH]2C[C](C)(OC)[C
    H](O)[CH](C)O2)[CH](C)[CH](O[CH]3O[CH](C
    )C[CH]([CH]3O)N(C)CC(=O)NC[CH]4CN(C(=O)O
    4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7)[C](
    C)(O)C[CH](C)CN(C)[CH](C)[CH](O)[C]1(C)O
    ; CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[
    C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[
    C@@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N
    (C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(F)c5
    )c6ccc(nc6)c7nnn(C)n7)[C@](C)(O)C[C@@H](
    C)CN(C)[C@H](C)[C@@H](O)[C@]1(C)O; CC[C@
    @H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@](
    [C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@
    H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[
    C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)CC(=O)
    NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc
    6)c7nnn(n7)C)O)(C)O)C)C)C)O)(C)O; Cn1nc(
    nn1)c1ccc(cn1)c1ccc(cc1F)N1CC(OC1=O)CNC(
    =O)CN(C)C1CC(C)OC(OC2C(C)C(OC3CC(C)(OC)C
    (O)C(C)O3)C(C)C(=O)OC(CC)C(C)(O)C(O)C(C)
    N(C)CC(C)CC2(C)O)C1O    		 2-{[(2S,3R,4S,6R)-2-{[(2R,3S,4R,5R,8R,10R,11R,12S,13S,14R)-2-ethyl-3,4,10-trihydroxy-13-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy}-3,5,6,8,10,12,14-heptamethyl-15-oxo-1-oxa-6-azacyclopentadecan-11-yl]oxy}-3-hydroxy-6-methyloxan-4-yl](methyl)amino}-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide (non-preferred name)
    43460 UI7
    ZINC000001730696    		 10 C9 H11 N O2 InChI=1S/C9H11NO2/c1-7(12
    )10-9-4-2-3-8(5-9)6-11/h2
    -5,11H,6H2,1H3,(H,10,12);
    WIXYDGUCWPQDPW-UHFFFAOYSA-N    		 CC(=O)Nc1cccc(c1)CO; CC(=O)Nc1cccc(CO)c1 N-[3-(hydroxymethyl)phenyl]ethanamide
    43461 UI8 1 C14 H12 B N2 O InChI=1S/C14H12BN2O/c18-1
    5-13-7-3-1-6-12(13)10-17(
    15)14-8-4-2-5-11(14)9-16-
    15/h1-9,18H,10H2;
    UCHLFALBLFGNQN-UHFFFAOYSA-N    		 B12(c3ccccc3CN1c4ccccc4C=N2)O; O[B]12N=C
    c3ccccc3N1Cc4ccccc24    		 7-$l^{3}-oxidanyl-12~{H}-[2,1]benzazaborolo[2,1-a][1,3,2]benzodiazaborinine
    43462 UI9 0 C19 H17 Cl F N7 O3 InChI=1S/C19H17ClFN7O3/c1
    -27-25-18(24-26-27)16-5-2
    -11(8-22-16)14-4-3-12(6-1
    5(14)21)28-10-13(31-19(28
    )30)9-23-17(29)7-20/h2-6,
    8,13H,7,9-10H2,1H3,(H,23,
    29)/t13-/m0/s1;
    VVZVMIYJLRPJQL-ZDUSSCGKSA-N    		 Cn1nc(nn1)c2ccc(cn2)c3ccc(cc3F)N4CC(OC4=
    O)CNC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc(
    cc3F)N4C[C@H](CNC(=O)CCl)OC4=O; Cn1nc(nn
    1)c2ccc(cn2)c3ccc(cc3F)N4C[C@@H](OC4=O)C
    NC(=O)CCl; Cn1nnc(n1)c2ccc(cn2)c3ccc(cc3
    F)N4C[CH](CNC(=O)CCl)OC4=O; O=C(NCC1CN(C
    (=O)O1)c1ccc(c2ccc(nc2)c2nn(C)nn2)c(F)c1
    )CCl    		 2-chloro-N-{[(5S)-3-{(4M)-3-fluoro-4-[(6P)-6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxo-1,3-oxazolidin-5-yl]methyl}acetamide
    43463 UIA 0 C4 H10 N2 O2 InChI=1S/C4H10N2O2/c1-3(2
    -5)6-4(7)8/h3,6H,2,5H2,1H
    3,(H,7,8)/t3-/m1/s1;
    ZHWWPRBSUHITHG-GSVOUGTGSA-N    		 CC(CN)NC(=O)O; C[C@H](CN)NC(=O)O; C[C@H]
    (CN)NC(O)=O; C[CH](CN)NC(O)=O    		 [(2~{R})-1-azanylpropan-2-yl]carbamic acid
    43464 UIB
    ZINC000003832147    		 2 C26 H32 N4 O3 InChI=1S/C26H32N4O3/c1-5-
    18-22-21(25(31)30(18)13-1
    5-6-11-19-20(12-15)33-14-
    32-19)23(29(4)26(22,2)3)1
    6-7-9-17(10-8-16)24(27)28
    /h6-12,18,21-23H,5,13-14H
    2,1-4H3,(H3,27,28)/t18-,2
    1+,22-,23+/m1/s1;
    HQVPEQYGMUJQHM-MSYGRNIXSA-N    		 CC[C@@H]1[C@@H]2[C@@H]([C@@H]([N@](C2(C)
    C)C)c3ccc(cc3)C(=N)N)C(=O)N1Cc4ccc5c(c4)
    OCO5; CCC1C2C(C(N(C2(C)C)C)c3ccc(cc3)C(=
    N)N)C(=O)N1Cc4ccc5c(c4)OCO5; CC[CH]1[CH]
    2[CH]([CH](N(C)C2(C)C)c3ccc(cc3)C(N)=N)C
    (=O)N1Cc4ccc5OCOc5c4; CC[C@@H]1[C@@H]2[C
    @@H]([C@@H](N(C)C2(C)C)c3ccc(cc3)C(N)=N)
    C(=O)N1Cc4ccc5OCOc5c4; O=C1N(C(CC)C3C1C(
    c2ccc(C(=[N@H])N)cc2)N(C)C3(C)C)Cc4ccc5O
    COc5c4    		 (1R,3AS,4R,8AS,8BR)-4-{5-(PHENYL[1,3]DIOXOL-5-YLMETHYL)-4-ETHYL-2,3,3-TRIMETHYL-6-OXO-OCTAHYDRO-PYRROLO[3,4-C]PYRROL-1-YL}-BENZAMIDINE
    43465 UIC
    CHEMBL254349    		 0 C29 H40 N2 O7 S InChI=1/C29H40N2O7S/c1-20
    (2)17-31(39(35,36)25-10-8
    -22(19-32)9-11-25)18-27(3
    3)26(14-21-6-4-3-5-7-21)3
    0-29(34)38-24-15-23-12-13
    -37-28(23)16-24/h3-11,20,
    23-24,26-28,32-33H,12-19H
    2,1-2H3,(H,30,34)/t23-,24
    +,26-,27+,28+/m0/s1/f/h30
    H;
    VYBDPVQMILRSMK-OOSHRCTGDC    		 CC(C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[C
    H]2C[CH]3CCO[CH]3C2)[S](=O)(=O)c4ccc(CO)
    cc4; CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@@H]2C[C@@H]3CCO[C@@H]3C2)[S](=O
    )(=O)c4ccc(CO)cc4; CC(C)CN(C[C@H]([C@H](
    Cc1ccccc1)NC(=O)O[C@@H]2C[C@@H]3CCO[C@@H
    ]3C2)O)S(=O)(=O)c4ccc(cc4)CO; O=S(=O)(c1
    ccc(cc1)CO)N(CC(C)C)CC(O)C(NC(=O)OC3CC2C
    (OCC2)C3)Cc4ccccc4; CC(C)CN(CC(C(Cc1cccc
    c1)NC(=O)OC2CC3CCOC3C2)O)S(=O)(=O)c4ccc(
    cc4)CO    		 (3AS,5R,6AR)-HEXAHYDRO-2H-CYCLOPENTA[B]FURAN-5-YL {(1S,2R)-1-BENZYL-2-HYDROXY-3-[{[4-(HYDROXYMETHYL)PHENYL]SULFONYL}(ISOBUTYL)AMINO]PROPYL}CARBAMATE
    43466 UID
    ZINC000000157063    		 8 C11 H13 N O2 InChI=1S/C11H13NO2/c1-2-1
    4-11(13)8-5-9-3-6-10(12)7
    -4-9/h3-8H,2,12H2,1H3/b8-
    5+;
    NRPMBSHHBFFYBF-VMPITWQZSA-N    		 CCOC(=O)C=Cc1ccc(cc1)N; CCOC(=O)/C=C/c1c
    cc(cc1)N; CCOC(=O)C=Cc1ccc(N)cc1; CCOC(=
    O)\C=C\c1ccc(N)cc1    		 ethyl (E)-3-(4-aminophenyl)prop-2-enoate
    43467 UIE
    CHEMBL5593042    		 1 C22 H23 N3 O6 S2 InChI=1S/C22H23N3O6S2/c23
    -32(28,29)20-11-9-17(10-1
    2-20)15-25(33(30,31)21-7-
    2-1-3-8-21)16-18-5-4-6-19
    (13-18)24-14-22(26)27/h1-
    13,24H,14-16H2,(H,26,27)(
    H2,23,28,29);
    BFBINAWAQBYZMQ-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2
    )[S](=O)(=O)c3ccccc3)cc1; c1ccc(cc1)S(=O
    )(=O)N(Cc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)
    NCC(=O)O    		 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
    43468 UIF 0 C40 H39 F N8 O8 InChI=1S/C40H39FN8O8/c1-2
    4-18-33(35(56-37(51)25-10
    -6-4-7-11-25)39(54-24)57-
    38(52)26-12-8-5-9-13-26)4
    7(2)23-34(50)43-21-29-22-
    49(40(53)55-29)28-15-16-3
    0(31(41)19-28)27-14-17-32
    (42-20-27)36-44-46-48(3)4
    5-36/h4-17,19-20,24,29,33
    ,35,39H,18,21-23H2,1-3H3,
    (H,43,50)/t24?,29-,33?,35
    ?,39?/m0/s1;
    JILVZTUUGIPBMT-XQRKQDBVSA-N    		 CC1CC(C(OC(=O)c2ccccc2)C(O1)OC(=O)c3cccc
    c3)N(C)CC(=O)NC[C@H]4CN(C(=O)O4)c5ccc(c(
    F)c5)c6ccc(nc6)c7nnn(C)n7; CC1CC(C(C(O1)
    OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=O)
    NCC4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(nc6)c7
    nnn(n7)C; C[C@@H]1C[C@H]([C@@H]([C@@H](O
    1)OC(=O)c2ccccc2)OC(=O)c3ccccc3)N(C)CC(=
    O)NC[C@H]4CN(C(=O)O4)c5ccc(c(c5)F)c6ccc(
    nc6)c7nnn(n7)C; CC1CC(C(OC(=O)c2ccccc2)C
    (O1)OC(=O)c3ccccc3)N(C)CC(=O)NC[CH]4CN(C
    (=O)O4)c5ccc(c(F)c5)c6ccc(nc6)c7nnn(C)n7
    ; O=C(OC1OC(C)CC(C1OC(=O)c1ccccc1)N(C)CC
    (=O)NCC1CN(c2ccc(c3ccc(nc3)c3nn(C)nn3)c(
    F)c2)C(=O)O1)c1ccccc1    		 [(2~{S},3~{S},4~{R},6~{R})-4-[[2-[[(5~{S})-3-[3-fluoranyl-4-[6-(2-methyl-1,2,3,4-tetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methylamino]-2-oxidanylidene-ethyl]-methyl-amino]-6-methyl-2-(phenylcarbonyloxy)oxan-3-yl] benzoate
    43469 UIH
    CHEMBL3318913
    ZINC000222801393    		 4 C18 H14 Br N5 InChI=1S/C18H14BrN5/c19-1
    2-8-6-11(7-9-12)15-13(10-
    4-2-1-3-5-10)14-16(20)23-
    18(21)24-17(14)22-15/h1-9
    H,(H5,20,21,22,23,24);
    BIHWLSDQBFEANX-UHFFFAOYSA-N    		 Brc4ccc(c2c(c1c(nc(nc1n2)N)N)c3ccccc3)cc
    4; Nc1nc(N)c2c([nH]c(c3ccc(Br)cc3)c2c4cc
    ccc4)n1; c1ccc(cc1)c2c3c(nc(nc3[nH]c2c4c
    cc(cc4)Br)N)N    		 6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    43470 UII
    CHEMBL5572523    		 1 C17 H21 N3 O6 S2 InChI=1S/C17H21N3O6S2/c1-
    27(23,24)20(11-13-5-7-16(
    8-6-13)28(18,25)26)12-14-
    3-2-4-15(9-14)19-10-17(21
    )22/h2-9,19H,10-12H2,1H3,
    (H,21,22)(H2,18,25,26);
    IWLMYDRUZFJVAL-UHFFFAOYSA-N    		 CS(=O)(=O)N(Cc1ccc(cc1)S(=O)(=O)N)Cc2ccc
    c(c2)NCC(=O)O; C[S](=O)(=O)N(Cc1ccc(cc1)
    [S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2    		 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid
    43471 UIJ
    CHEMBL5400730    		 2 C21 H31 N5 O7 InChI=1S/C21H31N5O7/c1-13
    -23-21(24-33-13)14-6-7-15
    (16(10-14)26(31)32)22-8-4
    -2-3-5-9-25-11-18(28)20(3
    0)19(29)17(25)12-27/h6-7,
    10,17-20,22,27-30H,2-5,8-
    9,11-12H2,1H3/t17-,18+,19
    -,20-/m1/s1;
    SXCQSQXLSZADIS-IYWMVGAKSA-N    		 Cc1nc(no1)c2ccc(c(c2)[N+](=O)[O-])NCCCCC
    CN3C[C@@H]([C@H]([C@@H]([C@H]3CO)O)O)O;
    OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1[N+](
    [O-])=O)c1nc(C)on1; Cc1nc(no1)c2ccc(c(c2
    )[N+](=O)[O-])NCCCCCCN3CC(C(C(C3CO)O)O)O
    ; Cc1onc(n1)c2ccc(NCCCCCCN3C[C@H](O)[C@@
    H](O)[C@H](O)[C@H]3CO)c(c2)[N+]([O-])=O;
    Cc1onc(n1)c2ccc(NCCCCCCN3C[CH](O)[CH](O
    )[CH](O)[CH]3CO)c(c2)[N+]([O-])=O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-(6-{[(4P)-4-(5-methyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)piperidine-3,4,5-triol
    43472 UIK
    CHEMBL5406924    		 1 C22 H22 N4 O InChI=1S/C22H22N4O/c1-15-
    4-3-5-17(10-15)12-26(2)22
    -19-11-20(25-21(19)23-14-
    24-22)18-8-6-16(13-27)7-9
    -18/h3-11,14,27H,12-13H2,
    1-2H3,(H,23,24,25);
    KXUSCHVJJBSONI-UHFFFAOYSA-N    		 Cc1cccc(c1)CN(C)c2c3cc([nH]c3ncn2)c4ccc(
    cc4)CO; CN(Cc1cccc(C)c1)c2ncnc3[nH]c(cc2
    3)c4ccc(CO)cc4    		 [4-[4-[methyl-[(3-methylphenyl)methyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]methanol
    43473 UIL 0 C7 H16 N2 O2 InChI=1S/C7H16N2O2/c1-5(2
    )3-6(4-8)9-7(10)11/h5-6,9
    H,3-4,8H2,1-2H3,(H,10,11)
    /t6-/m1/s1;
    RJJBFDBMVBMWRB-ZCFIWIBFSA-N    		 CC(C)C[C@H](CN)NC(O)=O; CC(C)C[C@H](CN)N
    C(=O)O; CC(C)C[CH](CN)NC(O)=O; CC(C)CC(C
    N)NC(=O)O    		 [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
    43474 UIM 2 C28 H27 N7 O2 InChI=1S/C28H27N7O2/c1-16
    (2)27(36)34-20-9-5-19(6-1
    0-20)24-22(23-25(29)31-15
    -32-26(23)35(24)4)18-7-11
    -21(12-8-18)37-28-30-14-1
    3-17(3)33-28/h5-16H,1-4H3
    ,(H,34,36)(H2,29,31,32);
    PJTFDPCWAHARFB-UHFFFAOYSA-N    		 CC(C)C(=O)Nc1ccc(cc1)c1c(c2c(N)ncnc2n1C)
    c1ccc(Oc2nc(C)ccn2)cc1; Cc1ccnc(n1)Oc2cc
    c(cc2)c3c4c(ncnc4n(c3c5ccc(cc5)NC(=O)C(C
    )C)C)N; CC(C)C(=O)Nc1ccc(cc1)c2n(C)c3ncn
    c(N)c3c2c4ccc(Oc5nccc(C)n5)cc4    		 N-[4-(4-amino-7-methyl-5-{4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylpropanamide
    43475 UIN
    DB08686
    ZINC000013741431    		 2 C20 H24 O3 InChI=1S/C20H24O3/c1-2-15
    (14-10-6-5-7-11-14)18-19(
    21)16-12-8-3-4-9-13-17(16
    )23-20(18)22/h5-7,10-11,1
    5,21H,2-4,8-9,12-13H2,1H3
    /t15-/m0/s1;
    UXCLJNSXDNCIIT-HNNXBMFYSA-N    		 CC[C@@H](c1ccccc1)C2=C(O)C3=C(CCCCCC3)OC
    2=O; O=C1OC3=C(C(O)=C1C(c2ccccc2)CC)CCCC
    CC3; CCC(c1ccccc1)C2=C(C3=C(CCCCCC3)OC2=
    O)O; CC[C@@H](c1ccccc1)C2=C(C3=C(CCCCCC3
    )OC2=O)O; CC[CH](c1ccccc1)C2=C(O)C3=C(CC
    CCCC3)OC2=O    		 5,6,7,8,9,10-HEXAHYDRO-4-HYDROXY-3-(1-PHENYLPROPYL)CYCLOOCTA[B]PYRAN-2-ONE
    43476 UIO
    CHEMBL5408976    		 2 C26 H38 N6 O7 InChI=1S/C26H38N6O7/c33-1
    7-22-24(35)25(36)23(34)16
    -31(22)10-4-2-1-3-8-27-20
    -6-5-18(15-21(20)32(37)38
    )19-7-9-28-26(29-19)30-11
    -13-39-14-12-30/h5-7,9,15
    ,22-25,27,33-36H,1-4,8,10
    -14,16-17H2/t22-,23+,24-,
    25-/m1/s1;
    IKJZFVDMSJZYQQ-ZFFYZDHPSA-N    		 c1cc(c(cc1c2ccnc(n2)N3CCOCC3)[N+](=O)[O-
    ])NCCCCCCN4CC(C(C(C4CO)O)O)O; c1cc(c(cc1
    c2ccnc(n2)N3CCOCC3)[N+](=O)[O-])NCCCCCCN
    4C[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)CN1CCCC
    CCNc2ccc(cc2[N+]([O-])=O)c3ccnc(n3)N4CCO
    CC4; OCC1C(O)C(O)C(O)CN1CCCCCCNc1ccc(cc1
    [N+]([O-])=O)c1nc(ncc1)N1CCOCC1; OC[CH]1
    [CH](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2
    [N+]([O-])=O)c3ccnc(n3)N4CCOCC4    		 (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[6-({(4M)-4-[2-(morpholin-4-yl)pyrimidin-4-yl]-2-nitrophenyl}amino)hexyl]piperidine-3,4,5-triol
    43477 UIP
    ZINC000003832151    		 2 C26 H30 N4 O3 InChI=1S/C26H30N4O3/c1-2-
    18-22-19-4-3-11-29(19)24(
    16-6-8-17(9-7-16)25(27)28
    )23(22)26(31)30(18)13-15-
    5-10-20-21(12-15)33-14-32
    -20/h5-10,12,18-19,22-24H
    ,2-4,11,13-14H2,1H3,(H3,2
    7,28)/t18-,19+,22+,23+,24
    +/m1/s1;
    RCAUWWFTOCHSJH-KEXZDOINSA-N    		 CCC1C2C3CCCN3C(C2C(=O)N1Cc4ccc5c(c4)OCO5
    )c6ccc(cc6)C(=N)N; CC[CH]1[CH]2[CH]3CCCN
    3[CH]([CH]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(c
    c6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCCN3[C
    @H]([C@H]2C(=O)N1Cc4ccc5OCOc5c4)c6ccc(cc
    6)C(N)=N; CC[C@@H]1[C@H]2[C@@H]3CCC[N@@]
    3[C@H]([C@H]2C(=O)N1Cc4ccc5c(c4)OCO5)c6c
    cc(cc6)C(=N)N; O=C1N(C(CC)C4C1C(c2ccc(C(
    =[N@H])N)cc2)N3CCCC34)Cc5ccc6OCOc6c5    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ETHYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    43478 UIQ
    ZINC000033836603    		 1 C27 H32 N4 O3 InChI=1S/C27H32N4O3/c1-15
    (2)24-22-19-4-3-11-30(19)
    25(17-6-8-18(9-7-17)26(28
    )29)23(22)27(32)31(24)13-
    16-5-10-20-21(12-16)34-14
    -33-20/h5-10,12,15,19,22-
    25H,3-4,11,13-14H2,1-2H3,
    (H3,28,29)/t19-,22-,23-,2
    4+,25-/m0/s1;
    TZROHICTGLJYJF-FTSNLURZSA-N    		 [H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C
    @H]4[N@@]2CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)
    OCO6)C(C)C)\N; [H]N=C(c1ccc(cc1)C2C3C(C4
    N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)C(C)C)N
    ; CC(C)[CH]1[CH]2[CH]3CCCN3[CH]([CH]2C(=
    O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; CC(
    C)[C@@H]1[C@H]2[C@@H]3CCCN3[C@H]([C@H]2C
    (=O)N1Cc4ccc5OCOc5c4)c6ccc(cc6)C(N)=N; O
    =C1N(C(C(C)C)C4C1C(c2ccc(C(=[N@H])N)cc2)
    N3CCCC34)Cc5ccc6OCOc6c5    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL-1-ISOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    43479 UIR
    ZINC000003832149    		 3 C27 H30 N4 O3 InChI=1S/C27H30N4O3/c28-2
    6(29)18-8-6-17(7-9-18)25-
    23-22(19-2-1-11-30(19)25)
    24(16-4-5-16)31(27(23)32)
    13-15-3-10-20-21(12-15)34
    -14-33-20/h3,6-10,12,16,1
    9,22-25H,1-2,4-5,11,13-14
    H2,(H3,28,29)/t19-,22-,23
    -,24+,25-/m0/s1;
    XYMBMAVAMICSMV-FTSNLURZSA-N    		 c1cc(ccc1[C@H]2[C@@H]3[C@H]([C@H]4[N@@]2
    CCC4)[C@H](N(C3=O)Cc5ccc6c(c5)OCO6)C7CC7
    )C(=N)N; c1cc(ccc1C2C3C(C4N2CCC4)C(N(C3=
    O)Cc5ccc6c(c5)OCO6)C7CC7)C(=N)N; O=C2N(C
    (C1CC1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC
    45)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2
    [CH]3[CH]([CH]4CCCN24)[CH](C5CC5)N(Cc6cc
    c7OCOc7c6)C3=O; NC(=N)c1ccc(cc1)[C@H]2[C
    @@H]3[C@H]([C@@H]4CCCN24)[C@@H](C5CC5)N(
    Cc6ccc7OCOc7c6)C3=O    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE
    43480 UIS
    ZINC000000163344    		 6 C12 H18 N2 O InChI=1S/C12H18N2O/c1-4-1
    4(5-2)12-8-6-7-11(9-12)13
    -10(3)15/h6-9H,4-5H2,1-3H
    3,(H,13,15);
    FPUKYOSOAAPHTN-UHFFFAOYSA-N    		 CCN(CC)c1cccc(c1)NC(=O)C; CCN(CC)c1cccc(
    NC(C)=O)c1    		 N-[3-(diethylamino)phenyl]ethanamide
    43481 UIT
    ZINC000002146644    		 1 C8 H16 O3 InChI=1S/C8H16O3/c1-2-3-4
    -5-6-7(9)8(10)11/h7,9H,2-
    6H2,1H3,(H,10,11)/t7-/m1/
    s1;
    JKRDADVRIYVCCY-SSDOTTSWSA-N    		 CCCCCC[CH](O)C(O)=O; CCCCCC[C@@H](O)C(O)
    =O; CCCCCCC(C(=O)O)O; CCCCCC[C@H](C(=O)O
    )O    		 (2R)-2-oxidanyloctanoic acid
    43482 UIU 0 C59 H85 F N8 O14 S InChI=1S/C59H85FN8O14S/c1
    -14-46-59(9)49(35(4)47(71
    )33(2)31-57(7,78-12)51(36
    (5)50(73)58(8,60)55(76)80
    -46)81-54-48(72)45(66(10)
    11)28-34(3)79-54)68(56(77
    )82-59)26-16-15-25-67-32-
    44(64-65-67)39-18-17-19-4
    0(30-39)62-52(74)42(24-27
    -83-13)63-53(75)43(61-37(
    6)69)29-38-20-22-41(70)23
    -21-38/h17-23,30,32-36,42
    -43,45-46,48-49,51,54,70,
    72H,14-16,24-29,31H2,1-13
    H3,(H,61,69)(H,62,74)(H,6
    3,75)/t33-,34-,35+,36+,42
    +,43+,45+,46-,48-,49-,51-
    ,54+,57-,58+,59-/m1/s1;
    OEYRSBHPKSARLY-KTBCHUDYSA-N    		 Oc1ccc(cc1)CC(NC(C)=O)C(=O)NC(CCSC)C(=O)
    Nc1cccc(c1)c1cn(nn1)CCCCN1C(=O)OC2(C)C(O
    C(=O)C(C)(F)C(=O)C(C)C(OC3OC(C)CC(N(C)C)
    C3O)C(C)(OC)CC(C)C(=O)C(C)C12)CC; CC[CH]
    1OC(=O)[C](C)(F)C(=O)[CH](C)[CH](O[CH]2O
    [CH](C)C[CH]([CH]2O)N(C)C)[C](C)(C[CH](C
    )C(=O)[CH](C)[CH]3N(CCCCn4cc(nn4)c5cccc(
    NC(=O)[CH](CCSC)NC(=O)[CH](Cc6ccc(O)cc6)
    NC(C)=O)c5)C(=O)O[C]13C)OC; CCC1C2(C(C(C
    (=O)C(CC(C(C(C(=O)C(C(=O)O1)(C)F)C)OC3C(
    C(CC(O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CC
    CCn4cc(nn4)c5cccc(c5)NC(=O)C(CCSC)NC(=O)
    C(Cc6ccc(cc6)O)NC(=O)C)C; CC[C@@H]1[C@@]
    2([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]
    ([C@H](C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[
    C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)
    C)N(C(=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O
    )[C@H](CCSC)NC(=O)[C@H](Cc6ccc(cc6)O)NC(
    =O)C)C; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C
    @H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C
    @H]2O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@H
    ](C)[C@H]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C
    @H](CCSC)NC(=O)[C@H](Cc6ccc(O)cc6)NC(C)=
    O)c5)C(=O)O[C@]13C)OC    		 N-acetyl-L-tyrosyl-N-[(3M)-3-(1-{4-[(3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxo-10-{[3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranosyl]oxy}dodecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-1(4H)-yl]butyl}-1H-1,2,3-triazol-4-yl)phenyl]-L-methioninamide;
    L-linker solithromycin conjugate
    43483 UIV 1 C13 H21 N3 O InChI=1S/C13H21N3O/c1-15(
    9-11-8-14-16(2)10-11)13(1
    7)12-6-4-3-5-7-12/h8,10,1
    2H,3-7,9H2,1-2H3;
    QLYNJXNZOYZGAX-UHFFFAOYSA-N    		 Cn1cc(cn1)CN(C)C(=O)C2CCCCC2; Cn1cc(CN(C
    )C(=O)C2CCCCC2)cn1    		 ~{N}-methyl-~{N}-[(1-methylpyrazol-4-yl)methyl]cyclohexanecarboxamide
    43484 UIW 2 C21 H18 Br F N4 O2 InChI=1S/C21H18BrFN4O2/c1
    -12-5-3-4-6-17(12)26-19-1
    8(9-14(11-25-19)20(28)24-
    2)27-21(29)13-7-15(22)10-
    16(23)8-13/h3-11H,1-2H3,(
    H,24,28)(H,25,26)(H,27,29
    );
    CJLMSAJFQMAPAZ-UHFFFAOYSA-N    		 Cc1ccccc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(
    cc(c3)Br)F; CNC(=O)c1cnc(Nc2ccccc2C)c(NC
    (=O)c3cc(F)cc(Br)c3)c1; Fc1cc(cc(Br)c1)C
    (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC    		 5-(3-bromo-5-fluorobenzamido)-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
    43485 UIX 46 C42 H58 O5 InChI=1S/C42H58O5/c1-30(1
    8-14-20-32(3)22-23-37-38(
    6,7)28-36(46-34(5)43)29-4
    0(37,10)45)16-12-13-17-31
    (2)19-15-21-33(4)24-25-42
    -39(8,9)26-35(44)27-41(42
    ,11)47-42/h12-22,24-25,35
    -36,44-45H,26-29H2,1-11H3
    /b13-12+,18-14+,19-15+,25
    -24+,30-16+,31-17+,32-20+
    ,33-21+/t23-,35-,36-,40+,
    41+,42-/m0/s1;
    PVNVIBOWBAPFOE-GYMZYDTCSA-N    		 CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)
    O)OC(=O)C)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O
    3)C)O)(C)C; C/C(=C\C=C\C=C(/C)\C=C\C=C(/
    C)\C=C=C1[C@](C[C@H](CC1(C)C)OC(=O)C)(C)
    O)/C=C/C=C(\C)/C=C/[C@]23[C@](O2)(C[C@H]
    (CC3(C)C)O)C; CC(=O)O[CH]1CC(C)(C)[C](=[
    C]=[CH]C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)
    C=C[C]23O[C]2(C)C[CH](O)CC3(C)C)[C](C)(O
    )C1; CC(=O)O[C@H]1CC(C)(C)[C](=[C@@]=[CH
    ]\C(C)=C\C=C\C(C)=C\C=C\C=C(C)\C=C\C=C(C
    )\C=C\[C@@]23O[C@]2(C)C[C@@H](O)CC3(C)C)
    [C@](C)(O)C1    		 [(1~{S},5~{R})-3,3,5-trimethyl-5-oxidanyl-4-[(3~{E},5~{E},7~{E},9~{E},11~{E},13~{E},15~{E},17~{E})-3,7,12,16-tetramethyl-18-[(1~{S},4~{S},6~{R})-2,2,6-trimethyl-4-oxidanyl-7-oxabicyclo[4.1.0]heptan-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexyl] ethanoate;
    Dinoxanthin
    43486 UIY
    CHEMBL5095208
    DB17115    		 2 C22 H24 N4 O3 InChI=1S/C22H24N4O3/c1-3-
    28-14-16-5-4-15(2)19(12-1
    6)25-21-24-13-20(29-21)17
    -6-8-18(9-7-17)26-11-10-2
    3-22(26)27/h4-9,12-13H,3,
    10-11,14H2,1-2H3,(H,23,27
    )(H,24,25);
    ZBAFYGYLXHEICJ-UHFFFAOYSA-N    		 CCOCc1ccc(C)c(Nc2oc(cn2)c3ccc(cc3)N4CCNC
    4=O)c1; CCOCc1ccc(c(c1)Nc2ncc(o2)c3ccc(c
    c3)N4CCNC4=O)C    		 AB-8939;
    1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
    43487 UIZ 1 C31 H32 N4 O3 InChI=1S/C31H32N4O3/c32-3
    0(33)22-11-9-21(10-12-22)
    29-28-27(23-7-4-14-34(23)
    29)24(15-19-5-2-1-3-6-19)
    35(31(28)36)17-20-8-13-25
    -26(16-20)38-18-37-25/h1-
    3,5-6,8-13,16,23-24,27-29
    H,4,7,14-15,17-18H2,(H3,3
    2,33)/t23-,24?,27+,28-,29
    -/m0/s1;
    APELQVQIJUTSME-UDOPOUDQSA-N    		 [H]/N=C(/c1ccc(cc1)[C@H]2[C@@H]3[C@H]([C
    @H]4[N@@]2CCC4)[C@@H](N(C3=O)Cc5ccc6c(c5
    )OCO6)Cc7ccccc7)\N; NC(=N)c1ccc(cc1)[C@H
    ]2[C@@H]3[C@H]([C@@H]4CCCN24)[C@H](Cc5cc
    ccc5)N(Cc6ccc7OCOc7c6)C3=O; O=C2N(C(Cc1c
    cccc1)C5C2C(c3ccc(C(=[N@H])N)cc3)N4CCCC4
    5)Cc6ccc7OCOc7c6; NC(=N)c1ccc(cc1)[CH]2[
    CH]3[CH]([CH]4CCCN24)[CH](Cc5ccccc5)N(Cc
    6ccc7OCOc7c6)C3=O; [H]N=C(c1ccc(cc1)C2C3
    C(C4N2CCC4)C(N(C3=O)Cc5ccc6c(c5)OCO6)Cc7
    ccccc7)N    		 (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YLMETHYL)-1-BENZYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROZILIN-4-YL-BENZAMIDINE
    43488 UJ0 1 C19 H22 F2 N2 O2 InChI=1S/C19H22F2N2O2/c1-
    2-17(24)23(16-7-8-16)18(1
    2-9-13(20)11-14(21)10-12)
    19(25)22-15-5-3-4-6-15/h2
    ,9-11,15-16,18H,1,3-8H2,(
    H,22,25)/t18-/m1/s1;
    VMRIFQHBFDXKML-GOSISDBHSA-N    		 Fc1cc(F)cc(c1)[CH](N(C2CC2)C(=O)C=C)C(=O
    )NC3CCCC3; Fc1cc(F)cc(c1)[C@@H](N(C2CC2)
    C(=O)C=C)C(=O)NC3CCCC3; C=CC(=O)N(C1CC1)
    C(c2cc(cc(c2)F)F)C(=O)NC3CCCC3; C=CC(=O)
    N(C1CC1)[C@H](c2cc(cc(c2)F)F)C(=O)NC3CCC
    C3    		 N-[(1R)-1-[3,5-bis(fluoranyl)phenyl]-2-(cyclopentylamino)-2-oxidanylidene-ethyl]-N-cyclopropyl-prop-2-enamide
    43489 UJ1 2 C26 H33 N5 O2 InChI=1S/C26H33N5O2/c1-7-
    18-12-9-11-17(3)23(18)28-
    25(33)24(19-13-10-14-27-1
    6-19)31(22(32)8-2)21-15-2
    0(29-30-21)26(4,5)6/h9-16
    ,24H,7-8H2,1-6H3,(H,28,33
    )(H,29,30)/t24-/m1/s1;
    ATGHYXLOAJYKKJ-XMMPIXPASA-N    		 CCc1cccc(c1NC(=O)[C@@H](c2cccnc2)N(c3cc(
    [nH]n3)C(C)(C)C)C(=O)CC)C; CCC(=O)N([CH]
    (C(=O)Nc1c(C)cccc1CC)c2cccnc2)c3cc([nH]n
    3)C(C)(C)C; CCC(=O)N([C@@H](C(=O)Nc1c(C)
    cccc1CC)c2cccnc2)c3cc([nH]n3)C(C)(C)C; C
    Cc1cccc(c1NC(=O)C(c2cccnc2)N(c3cc([nH]n3
    )C(C)(C)C)C(=O)CC)C; N(c1c(cccc1C)CC)C(=
    O)C(N(c2cc(nn2)C(C)(C)C)C(CC)=O)c3cnccc3    		 N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    43490 UJ2
    CHEMBL5091830    		 1 C22 H18 N2 O3 InChI=1S/C22H18N2O3/c1-27
    -20(16-9-7-15(8-10-16)14-
    5-3-2-4-6-14)21-23-18-12-
    11-17(22(25)26)13-19(18)2
    4-21/h2-13,20H,1H3,(H,23,
    24)(H,25,26)/t20-/m0/s1;
    QYAGQWPYMHPLMR-FQEVSTJZSA-N    		 CO[C@H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(c
    c3)c4ccccc4; COC(c1ccc(cc1)c2ccccc2)c3[n
    H]c4cc(ccc4n3)C(=O)O; CO[C@@H](c1ccc(cc1
    )c2ccccc2)c3[nH]c4cc(ccc4n3)C(=O)O; CO[C
    H](c1[nH]c2cc(ccc2n1)C(O)=O)c3ccc(cc3)c4
    ccccc4    		 2-[(~{S})-methoxy-(4-phenylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
    43491 UJ3 1 C22 H22 F N3 O3 InChI=1S/C22H22FN3O3/c1-1
    1(2)19(20-12(3)17-9-14(23
    )4-7-18(17)29-20)26-22(28
    )25-15-5-6-16-13(8-15)10-
    24-21(16)27/h4-9,11,19H,1
    0H2,1-3H3,(H,24,27)(H2,25
    ,26,28)/t19-/m0/s1;
    LZUITSLTUCNJFS-IBGZPJMESA-N    		 CC(C)[C@H](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc
    4ccc(F)cc4c3C; Cc1c2cc(ccc2oc1C(C(C)C)NC
    (=O)Nc3ccc4c(c3)CNC4=O)F; Cc1c2cc(ccc2oc
    1[C@H](C(C)C)NC(=O)Nc3ccc4c(c3)CNC4=O)F;
    CC(C)[CH](NC(=O)Nc1ccc2C(=O)NCc2c1)c3oc
    4ccc(F)cc4c3C    		 1-[(1S)-1-(5-fluoranyl-3-methyl-1-benzofuran-2-yl)-2-methyl-propyl]-3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)urea;
    SCHEMBL24756013
    43492 UJ4 1 C27 H31 N3 O4 InChI=1S/C27H31N3O4/c1-6-
    25(31)30(22-11-9-20(10-12
    -22)19(3)33-4)26(21-8-7-1
    5-28-17-21)27(32)29-24-14
    -13-23(34-5)16-18(24)2/h7
    -17,19,26H,6H2,1-5H3,(H,2
    9,32)/t19-,26+/m0/s1;
    QDPHPMZTNKBBHJ-AFMDSPMNSA-N    		 N(c1c(C)cc(cc1)OC)C(=O)C(c2cccnc2)N(c3cc
    c(cc3)C(OC)C)C(CC)=O; CCC(=O)N(c1ccc(cc1
    )C(C)OC)C(c2cccnc2)C(=O)Nc3ccc(cc3C)OC;
    CCC(=O)N([C@@H](C(=O)Nc1ccc(OC)cc1C)c2cc
    cnc2)c3ccc(cc3)[C@H](C)OC; CCC(=O)N(c1cc
    c(cc1)[C@H](C)OC)[C@H](c2cccnc2)C(=O)Nc3
    ccc(cc3C)OC; CCC(=O)N([CH](C(=O)Nc1ccc(O
    C)cc1C)c2cccnc2)c3ccc(cc3)[CH](C)OC    		 N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide
    43493 UJ5
    CHEMBL5086911    		 1 C19 H20 N2 O3 InChI=1S/C19H20N2O3/c1-11
    (2)12-4-6-13(7-5-12)17(24
    -3)18-20-15-9-8-14(19(22)
    23)10-16(15)21-18/h4-11,1
    7H,1-3H3,(H,20,21)(H,22,2
    3)/t17-/m0/s1;
    PVZNGPPPFPTWEL-KRWDZBQOSA-N    		 CC(C)c1ccc(cc1)C(c2[nH]c3cc(ccc3n2)C(=O)
    O)OC; CO[CH](c1[nH]c2cc(ccc2n1)C(O)=O)c3
    ccc(cc3)C(C)C; CO[C@H](c1[nH]c2cc(ccc2n1
    )C(O)=O)c3ccc(cc3)C(C)C; CC(C)c1ccc(cc1)
    [C@@H](c2[nH]c3cc(ccc3n2)C(=O)O)OC    		 2-[(~{S})-methoxy-(4-propan-2-ylphenyl)methyl]-3~{H}-benzimidazole-5-carboxylic acid
    43494 UJ6
    ZINC000095920892    		 4 C17 H13 N O5 InChI=1S/C17H13NO5/c19-16
    -11(10-3-1-2-4-12(10)18-1
    6)7-9-5-6-13-15(23-8-22-1
    3)14(9)17(20)21/h1-6,11H,
    7-8H2,(H,18,19)(H,20,21)/
    t11-/m0/s1;
    KPBCEHCDLYYWDE-NSHDSACASA-N    		 OC(=O)c1c(C[CH]2C(=O)Nc3ccccc23)ccc4OCOc
    14; c1ccc2c(c1)[C@@H](C(=O)N2)Cc3ccc4c(c
    3C(=O)O)OCO4; OC(=O)c1c(C[C@@H]2C(=O)Nc3
    ccccc23)ccc4OCOc14; O=C2Nc1ccccc1C2Cc3cc
    c4OCOc4c3C(=O)O; c1ccc2c(c1)C(C(=O)N2)Cc
    3ccc4c(c3C(=O)O)OCO4    		 5-{[(3S)-2-oxo-2,3-dihydro-1H-indol-3-yl]methyl}-1,3-benzodioxole-4-carboxylic acid
    43495 UJ7
    CHEMBL5558570    		 3 C35 H49 N5 O3 S InChI=1S/C35H49N5O3S/c1-2
    5-32(27-14-7-3-8-15-27)43
    -35(37-25)39-19-20-40(31(
    24-39)33(41)36-23-29-18-1
    1-21-44-29)34(42)30(22-26
    -12-5-2-6-13-26)38-28-16-
    9-4-10-17-28/h3,7-8,11,14
    -15,18,21,25-26,28,30-32,
    38H,2,4-6,9-10,12-13,16-1
    7,19-20,22-24H2,1H3,(H,36
    ,41)/t25-,30-,31+,32-/m1/
    s1;
    CTYNKFLWABFRHE-BESSAKRQSA-N    		 C[CH]1N=C(O[CH]1c2ccccc2)N3CCN([CH](C3)C
    (=O)NCc4sccc4)C(=O)[CH](CC5CCCCC5)NC6CCC
    CC6; N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3C
    CCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=
    6; CC1C(OC(=N1)N2CCN(C(C2)C(=O)NCc3cccs3
    )C(=O)C(CC4CCCCC4)NC5CCCCC5)c6ccccc6; C[
    C@@H]1[C@@H](OC(=N1)N2CCN([C@@H](C2)C(=O
    )NCc3cccs3)C(=O)[C@@H](CC4CCCCC4)NC5CCCC
    C5)c6ccccc6; C[C@H]1N=C(O[C@H]1c2ccccc2)
    N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O)[C@@
    H](CC5CCCCC5)NC6CCCCC6    		 (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
    43496 UJ8
    CHEMBL5070147    		 1 C17 H18 N2 O InChI=1S/C17H18N2O/c1-11(
    2)12-7-9-13(10-8-12)16(20
    )17-18-14-5-3-4-6-15(14)1
    9-17/h3-11,16,20H,1-2H3,(
    H,18,19)/t16-/m0/s1;
    ALKXKMROLUPKRL-INIZCTEOSA-N    		 CC(C)c1ccc(cc1)[C@H](O)c2[nH]c3ccccc3n2;
    CC(C)c1ccc(cc1)[C@@H](c2[nH]c3ccccc3n2)
    O; CC(C)c1ccc(cc1)C(c2[nH]c3ccccc3n2)O;
    CC(C)c1ccc(cc1)[CH](O)c2[nH]c3ccccc3n2    		 (~{S})-1~{H}-benzimidazol-2-yl-(4-propan-2-ylphenyl)methanol
    43497 UJ9 2 C19 H29 N6 O5 S2 InChI=1S/C19H28N6O5S2/c1-
    25(5-3-4-6-25)7-11-9-31-1
    7(23-14(11)18(28)29)12(8-
    26)21-16(27)15(24-30-2)13
    -10-32-19(20)22-13/h10-12
    ,17,26H,3-9H2,1-2H3,(H3-,
    20,21,22,27,28,29)/p+1/b2
    4-15-/t11-,12-,17-/m1/s1;
    XJYXJMZNAZABOJ-BNWKVGSUSA-O    		 C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O
    )[C@@H](CO)NC(=O)/C(=N\OC)/c3csc(n3)N; C
    [N+]1(CCCC1)CC2CSC(N=C2C(=O)O)C(CO)NC(=O
    )C(=NOC)c3csc(n3)N; CON=C(C(=O)N[CH](CO)
    [CH]1SC[CH](C[N+]2(C)CCCC2)C(=N1)C(O)=O)
    c3csc(N)n3; CO\N=C(/C(=O)N[C@H](CO)[C@H]
    1SC[C@@H](C[N+]2(C)CCCC2)C(=N1)C(O)=O)c3
    csc(N)n3    		 Cefepime (open);
    (2R,5S)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-methoxyimino-ethanoyl]amino]-2-oxidanyl-ethyl]-5-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    Cefepimum (reacted)
    43498 UJA 3 C32 H42 Cl N5 O3 S InChI=1S/C32H42ClN5O3S/c3
    3-23-13-14-29-26(19-23)36
    -32(41-29)37-15-16-38(28(
    21-37)30(39)34-20-25-12-7
    -17-42-25)31(40)27(18-22-
    8-3-1-4-9-22)35-24-10-5-2
    -6-11-24/h7,12-14,17,19,2
    2,24,27-28,35H,1-6,8-11,1
    5-16,18,20-21H2,(H,34,39)
    /t27-,28+/m1/s1;
    WQMFHHFJPDQBMH-IZLXSDGUSA-N    		 c1cc(sc1)CNC(=O)C2CN(CCN2C(=O)C(CC3CCCCC
    3)NC4CCCCC4)c5nc6cc(ccc6o5)Cl; Clc1ccc2o
    c(nc2c1)N3CCN([CH](C3)C(=O)NCc4sccc4)C(=
    O)[CH](CC5CCCCC5)NC6CCCCC6; Clc1ccc2oc(n
    c2c1)N3CCN([C@@H](C3)C(=O)NCc4sccc4)C(=O
    )[C@@H](CC5CCCCC5)NC6CCCCC6; c1cc(sc1)CN
    C(=O)[C@@H]2CN(CCN2C(=O)[C@@H](CC3CCCCC3
    )NC4CCCCC4)c5nc6cc(ccc6o5)Cl; C3N(c1oc2c
    (n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O)
    C(CC5CCCCC5)NC6CCCCC6    		 (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide
    43499 UJB
    ZINC000219083447    		 1 C19 H22 Cl F3 N4 O2 S InChI=1S/C19H22ClF3N4O2S/
    c1-11-9-29-10-12(2)27(11)
    16-7-17(28)25-6-5-14(19(2
    1,22)23)26(18(25)24-16)8-
    13-3-4-15(20)30-13/h3-4,7
    ,11-12,14H,5-6,8-10H2,1-2
    H3/t11-,12-,14+/m1/s1;
    MMAAITOCOBQYBQ-BZPMIXESSA-N    		 CC1COCC(N1C2=CC(=O)N3CCC(N(C3=N2)Cc4ccc(
    s4)Cl)C(F)(F)F)C; C[C@@H]1COC[C@H](N1C2=
    CC(=O)N3CC[C@H](N(C3=N2)Cc4ccc(s4)Cl)C(F
    )(F)F)C; C[C@@H]1COC[C@@H](C)N1C2=CC(=O)
    N3CC[C@H](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F)F;
    Clc1sc(cc1)CN4C3=NC(N2C(C)COCC2C)=CC(=O
    )N3CCC4C(F)(F)F; C[CH]1COC[CH](C)N1C2=CC
    (=O)N3CC[CH](N(Cc4sc(Cl)cc4)C3=N2)C(F)(F
    )F    		 (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one
    43500 UJC 1 C25 H19 F4 N3 O3 InChI=1S/C25H19F4N3O3/c1-
    12-5-3-4-6-17(12)21-20-18
    (24(35)32-21)9-14(22(33)3
    0-2)10-19(20)31-23(34)13-
    7-15(25(27,28)29)11-16(26
    )8-13/h3-11,21H,1-2H3,(H,
    30,33)(H,31,34)(H,32,35)/
    t21-/m0/s1;
    CIGJKSFOADUAIC-NRFANRHFSA-N    		 Cc1ccccc1[C@H]2c3c(cc(cc3NC(=O)c4cc(cc(c
    4)F)C(F)(F)F)C(=O)NC)C(=O)N2; FC(F)(F)c1
    cc(cc(F)c1)C(=O)Nc1cc(cc2C(=O)NC(c21)c1c
    cccc1C)C(=O)NC; CNC(=O)c1cc(NC(=O)c2cc(F
    )cc(c2)C(F)(F)F)c3[CH](NC(=O)c3c1)c4cccc
    c4C; Cc1ccccc1C2c3c(cc(cc3NC(=O)c4cc(cc(
    c4)F)C(F)(F)F)C(=O)NC)C(=O)N2; CNC(=O)c1
    cc(NC(=O)c2cc(F)cc(c2)C(F)(F)F)c3[C@@H](
    NC(=O)c3c1)c4ccccc4C    		 (1S)-7-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-1-(2-methylphenyl)-3-oxo-2,3-dihydro-1H-isoindole-5-carboxamide
    43501 UJD
    CHEMBL1982694
    ZINC000001684251    		 9 C4 H6 O2 S2 InChI=1S/C4H6O2S2/c5-3(6)
    4-7-1-2-8-4/h4H,1-2H2,(H,
    5,6);
    DSOVOUOPKYLGID-UHFFFAOYSA-N    		 OC(=O)C1SCCS1; C1CSC(S1)C(=O)O; C(C1SCCS
    1)(O)=O    		 1,3-dithiolane-2-carboxylic acid
    43502 UJE 10 C14 H24 N4 O2 S InChI=1S/C14H24N4O2S/c19-
    12(16-9-5-6-15-7-9)4-2-1-
    3-11-13-10(8-21-11)17-14(
    20)18-13/h9-11,13,15H,1-8
    H2,(H,16,19)(H2,17,18,20)
    /t9-,10-,11-,13-/m0/s1;
    QSMYOZNFIUDGEL-ZPFDUUQYSA-N    		 O=C(CCCC[CH]1SC[CH]2NC(=O)N[CH]12)N[CH]3
    CCNC3; C1CNCC1NC(=O)CCCCC2C3C(CS2)NC(=O)
    N3; C1CNC[C@H]1NC(=O)CCCC[C@H]2[C@@H]3[C
    @H](CS2)NC(=O)N3; O=C(CCCC[C@@H]1SC[C@@H
    ]2NC(=O)N[C@H]12)N[C@H]3CCNC3    		 5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)-N-((S)-pyrrolidin-3-yl)pentanamide;
    5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]-~{N}-[(3~{S})-pyrrolidin-3-yl]pentanamide
    43503 UJF
    CHEMBL1182312
    ZINC000013681007    		 2 C14 H14 I N O2 InChI=1S/C14H14INO2/c15-1
    3-9-10(7-8-16)1-6-14(13)1
    8-12-4-2-11(17)3-5-12/h1-
    6,9,17H,7-8,16H2;
    XIINYOJWNGOUPF-UHFFFAOYSA-N    		 c1cc(ccc1O)Oc2ccc(cc2I)CCN; NCCc1ccc(Oc2
    ccc(O)cc2)c(I)c1    		 4-[4-(2-azanylethyl)-2-iodanyl-phenoxy]phenol
    43504 UJG 2 C31 H41 N9 O15 P2 S InChI=1S/C31H41N9O15P2S/c
    1-13-6-15-16(7-14(13)2)40
    (20-4-3-5-58-20)22-28(36-
    31(47)37-29(22)46)38(15)8
    -17(41)23(43)18(42)9-52-5
    6(48,49)55-57(50,51)53-10
    -19-24(44)25(45)30(54-19)
    39-12-35-21-26(32)33-11-3
    4-27(21)39/h6-7,11-12,17-
    20,23-25,30,41-45H,3-5,8-
    10H2,1-2H3,(H,48,49)(H,50
    ,51)(H2,32,33,34)(H2,36,3
    7,46,47)/t17-,18+,19+,20+
    ,23-,24+,25+,30+/m0/s1;
    LSSZTRLJARKKDF-JFPATDFNSA-N    		 Cc1cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)C6=C(N([C@H]7CC
    CS7)c2cc1C)C(=O)NC(=O)N6; Cc1cc2N(C[CH](
    O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)O
    C[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc
    45)C6=C(N([CH]7CCCS7)c2cc1C)C(=O)NC(=O)N
    6; P(=O)(O)(OCC1OC(C(C1O)O)n2cnc3c(N)ncn
    c23)OP(OCC(C(C(CN5c7c(N(C=4C(NC(NC=45)=O
    )=O)C6CCCS6)cc(C)c(C)c7)O)O)O)(=O)O; Cc1
    cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)OP(=
    O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)O)O
    )O)NC(=O)NC3=O)C7CCCS7; Cc1cc2c(cc1C)N(C
    3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O)OP
    (=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)n5
    cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)[C@H]
    7CCCS7    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-{7,8-dimethyl-2,4-dioxo-5-[(2R)-tetrahydrothiophen-2-yl]-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)
    43505 UJH 1 C10 H9 N O2 InChI=1S/C10H9NO2/c1-13-1
    1-7-6-10(12)8-4-2-3-5-9(8
    )11/h2-7H,1H3;
    QKCKRWUYZIGMET-UHFFFAOYSA-N    		 CON1C=CC(=O)c2c1cccc2; CON1C=CC(=O)c2ccc
    cc12    		 1-methoxy-4-oxoquinoline;
    1-methoxyquinolin-4-one
    43506 UJI 4 H4 O4 Sb InChI=1S/4H2O.Sb.H/h4*1H2
    ;;/q;;;;+4;/p-4;
    JMPYBWKBSUDWDS-UHFFFAOYSA-J    		 O[Sb](O)(O)O tetrakis(oxidanyl)antimony;
    antimony oxyanion
    43507 UJJ 2 C30 H39 N9 O15 P2 S2 InChI=1S/C30H39N9O15P2S2/
    c1-12-5-14-15(6-13(12)2)3
    9(30-57-3-4-58-30)20-26(3
    5-29(46)36-27(20)45)37(14
    )7-16(40)21(42)17(41)8-51
    -55(47,48)54-56(49,50)52-
    9-18-22(43)23(44)28(53-18
    )38-11-34-19-24(31)32-10-
    33-25(19)38/h5-6,10-11,16
    -18,21-23,28,30,40-44H,3-
    4,7-9H2,1-2H3,(H,47,48)(H
    ,49,50)(H2,31,32,33)(H2,3
    5,36,45,46)/t16-,17+,18+,
    21-,22+,23+,28+/m0/s1;
    JJIDBJDGDVTJIQ-LKQKGXMZSA-N    		 Cc1cc2c(cc1C)N(C3=C(N2CC(C(C(COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)n5cnc6c5ncnc6N)O)O)
    O)O)O)NC(=O)NC3=O)C7SCCS7; Cc1cc2c(cc1C)
    N(C3=C(N2C[C@@H]([C@@H]([C@@H](COP(=O)(O
    )OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4
    )n5cnc6c5ncnc6N)O)O)O)O)O)NC(=O)NC3=O)C7
    SCCS7; C1(C2=C(NC(=O)N1)N(c4cc(c(cc4N2C3
    SCCS3)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(
    O)OCC5OC(C(C5O)O)n6cnc7c(N)ncnc67)=O; Cc
    1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)
    O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4
    cnc5c(N)ncnc45)C6=C(N(C7SCCS7)c2cc1C)C(=
    O)NC(=O)N6; Cc1cc2N(C[C@H](O)[C@H](O)[C@
    H](O)CO[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@
    H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)C6=
    C(N(C7SCCS7)c2cc1C)C(=O)NC(=O)N6    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[5-(1,3-dithiolan-2-yl)-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate
    43508 UJK
    ZINC000036666764    		 5 C10 H9 N3 O2 InChI=1S/C10H9N3O2/c1-7-4
    -2-3-5-9(7)13-6-8(10(14)1
    5)11-12-13/h2-6H,1H3,(H,1
    4,15);
    DAYJQFRBEKQYDR-UHFFFAOYSA-N    		 Cc1ccccc1n2cc(nn2)C(O)=O; Cc1ccccc1n2cc(
    nn2)C(=O)O    		 1-(2-methylphenyl)-1,2,3-triazole-4-carboxylic acid;
    1-o-tolyl-1H-[1,2,3]triazole-4-carboxylic acid, 1-(2-methylphenyl)triazole-4-carboxylic acid, Z2327226104
    43509 UJL
    CHEMBL4650337
    DB15665
    ZINC000205013646    		 6 C9 H13 N O S InChI=1S/C9H13NOS/c1-10-6
    -8-9-7(2-4-11-8)3-5-12-9/
    h3,5,8,10H,2,4,6H2,1H3/t8
    -/m0/s1;
    ABDDQTDRAHXHOC-QMMMGPOBSA-N    		 CNCC1c2c(ccs2)CCO1; CNC[C@H]1c2c(ccs2)CC
    O1; CNC[CH]1OCCc2ccsc12; CNC[C@@H]1OCCc2
    ccsc12    		 1-[(7~{S})-5,7-dihydro-4~{H}-thieno[2,3-c]pyran-7-yl]-~{N}-methyl-methanamine;
    Ulotaront;
    SEP-363856 ;
    SEP-856
    43510 UJM
    ZINC000000900767    		 2 C5 H8 O2 S InChI=1S/C5H8O2S/c6-5(7)4
    -2-1-3-8-4/h4H,1-3H2,(H,6
    ,7)/t4-/m0/s1;
    MZOYMQRKTJRHGJ-BYPYZUCNSA-N    		 OC(=O)[CH]1CCCS1; C(O)(C1SCCC1)=O; C1CC(
    SC1)C(=O)O; C1C[C@H](SC1)C(=O)O; OC(=O)[
    C@@H]1CCCS1    		 (2S)-thiolane-2-carboxylic acid
    43511 UJN 1 C14 H26 O23 P6 InChI=1S/C14H26O23P6/c15-
    38(16,17)7-39(18,19)33-12
    -13(36-42(26,27)28)10(34-
    40(20,21)22)9(32-6-8-4-2-
    1-3-5-8)11(35-41(23,24)25
    )14(12)37-43(29,30)31/h1-
    5,9-14H,6-7H2,(H,18,19)(H
    2,15,16,17)(H2,20,21,22)(
    H2,23,24,25)(H2,26,27,28)
    (H2,29,30,31)/t9-,10-,11+
    ,12-,13-,14-/m1/s1;
    WTIJGFYHWWTXHU-BUCHIQEDSA-N    		 c1ccc(cc1)COC2[C@@H]([C@H](C([C@@H]([C@@
    H]2OP(=O)(O)O)OP(=O)(O)O)OP(=O)(CP(=O)(O
    )O)O)OP(=O)(O)O)OP(=O)(O)O; c1ccc(cc1)CO
    C2C(C(C(C(C2OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (CP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O; O[P
    ](O)(=O)C[P](O)(=O)O[CH]1[CH](O[P](O)(O)
    =O)[CH](O[P](O)(O)=O)[CH](OCc2ccccc2)[CH
    ](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; O[P](O
    )(=O)C[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)
    =O)[C@H](O[P](O)(O)=O)[C@@H](OCc2ccccc2)
    [C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O    		 [oxidanyl-[(2S,3R,5S,6S)-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid;
    [oxidanyl-[(2~{S},3~{R},5~{S},6~{S})-4-phenylmethoxy-2,3,5,6-tetraphosphonooxy-cyclohexyl]oxy-phosphoryl]methylphosphonic acid
    43512 UJO 7 C29 H57 N O3 InChI=1S/C29H57NO3/c1-3-5
    -7-9-11-13-14-15-17-18-20
    -22-24-28(32)27(26-31)30-
    29(33)25-23-21-19-16-12-1
    0-8-6-4-2/h22,24,27-28,31
    -32H,3-21,23,25-26H2,1-2H
    3,(H,30,33)/b24-22-/t27-,
    28+/m0/s1;
    CUYUYRQLXJHPEB-UWJMOZLHSA-N    		 CCCCCCCCCCCC/C=C\[C@H]([C@H](CO)NC(=O)CC
    CCCCCCCCC)O; CCCCCCCCCCCCC=C[CH](O)[CH](
    CO)NC(=O)CCCCCCCCCCC; CCCCCCCCCCCCC=CC(C
    (CO)NC(=O)CCCCCCCCCCC)O; CCCCCCCCCCCC\C=
    C/[C@@H](O)[C@H](CO)NC(=O)CCCCCCCCCCC    		 ~{N}-[(~{Z},2~{S},3~{R})-1,3-bis(oxidanyl)heptadec-4-en-2-yl]dodecanamide
    43513 UJP
    ZINC000000900769    		 8 C5 H8 O2 S InChI=1S/C5H8O2S/c6-5(7)4
    -2-1-3-8-4/h4H,1-3H2,(H,6
    ,7)/t4-/m1/s1;
    MZOYMQRKTJRHGJ-SCSAIBSYSA-N    		 C(O)(C1CCCS1)=O; C1C[C@@H](SC1)C(=O)O; O
    C(=O)[CH]1CCCS1; C1CC(SC1)C(=O)O; OC(=O)
    [C@H]1CCCS1    		 (2R)-thiolane-2-carboxylic acid
    43514 UJQ
    CHEMBL520
    ZINC000000078659    		 3 C14 H10 O3 InChI=1S/C14H10O3/c15-14(
    16)13-9-5-1-3-7-11(9)17-1
    2-8-4-2-6-10(12)13/h1-8,1
    3H,(H,15,16);
    VSBFNCXKYIEYIS-UHFFFAOYSA-N    		 c1ccc2c(c1)C(c3ccccc3O2)C(=O)O; OC(=O)C1
    c2ccccc2Oc3ccccc13    		 9~{H}-xanthene-9-carboxylic acid
    43515 UJR 0 C7 H8 I N3 O S InChI=1S/C7H8IN3OS/c8-5-1
    -10-7(11-2-5)13-4-6(9)3-1
    2/h1-3,6H,4,9H2/t6-/m1/s1;
    MJAWREUUBHZDOO-ZCFIWIBFSA-N    		 c1c(cnc(n1)SC[C@@H](C=O)N)I; c1c(cnc(n1)
    SCC(C=O)N)I; N[CH](CSc1ncc(I)cn1)C=O; N[
    C@@H](CSc1ncc(I)cn1)C=O    		 (2~{R})-2-azanyl-3-(5-iodanylpyrimidin-2-yl)sulfanyl-propanal;
    arylated cysteine
    43516 UJS 2 C24 H16 N2 O3 InChI=1S/C24H16N2O3/c27-2
    2-10-9-16(23(28)25-12-17-
    5-1-2-6-18(17)13-25)11-21
    (22)24(29)26-14-19-7-3-4-
    8-20(19)15-26/h1-15,27H;
    FQSLQNAXZJFWRX-UHFFFAOYSA-N    		 c3(c(ccc(C(=O)n1cc2c(c1)cccc2)c3)O)C(=O)
    n4cc5c(c4)cccc5; Oc1ccc(cc1C(=O)n2cc3ccc
    cc3c2)C(=O)n4cc5ccccc5c4; c1ccc2cn(cc2c1
    )C(=O)c3ccc(c(c3)C(=O)n4cc5ccccc5c4)O    		 (4-hydroxy-1,3-phenylene)bis[(2H-isoindol-2-yl)methanone]
    43517 UJT 1 C26 H33 N11 O8 InChI=1S/C26H33N11O8/c27-
    21-15-23(31-9-29-21)36(11
    -33-15)25-19(42)17(40)12(
    44-25)7-35(5-2-6-38)4-1-3
    -14-34-16-22(28)30-10-32-
    24(16)37(14)26-20(43)18(4
    1)13(8-39)45-26/h9-13,17-
    20,25-26,38-43H,2,4-8H2,(
    H2,27,29,31)(H2,28,30,32)
    /t12-,13+,17+,18+,19+,20+
    ,25-,26-/m0/s1;
    FIHPXHNEJQUZOK-ILVBEZOOSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CN(CCCO)CC#
    Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N)O)O)N
    ; Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCO)CC#
    Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[C
    H]6O)[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)[C
    @H]3[C@@H]([C@@H]([C@H](O3)CN(CCCO)CC#Cc
    4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([C@H](O
    6)CO)O)O)N)O)O)N; Nc1ncnc2n(cnc12)[C@@H]
    3O[C@H](CN(CCCO)CC#Cc4nc5c(N)ncnc5n4[C@@
    H]6O[C@H](CO)[C@@H](O)[C@H]6O)[C@@H](O)[
    C@H]3O    		 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-oxidanylpropyl)amino]methyl]oxolane-3,4-diol
    43518 UJU
    CHEMBL4594376
    DB19128    		 1 C17 H22 N4 O2 InChI=1S/C17H22N4O2/c1-3-
    14-11(2)16(21-20-14)17(22
    )19-13-6-4-12(5-7-13)15-1
    0-18-8-9-23-15/h4-7,15,18
    H,3,8-10H2,1-2H3,(H,19,22
    )(H,20,21)/t15-/m1/s1;
    XHHXGKRFUPEPFM-OAHLLOKOSA-N    		 CCc1[nH]nc(C(=O)Nc2ccc(cc2)[C@H]3CNCCO3)
    c1C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)C3CN
    CCO3)C; CCc1c(c(n[nH]1)C(=O)Nc2ccc(cc2)[
    C@H]3CNCCO3)C; CCc1[nH]nc(C(=O)Nc2ccc(cc
    2)[CH]3CNCCO3)c1C    		 5-ethyl-4-methyl-~{N}-[4-[(2~{S})-morpholin-2-yl]phenyl]-1~{H}-pyrazole-3-carboxamide;
    Ralmitaront
    43519 UJV 2 C25 H17 F N2 O4 InChI=1S/C25H17FN2O4/c1-3
    2-19-7-5-16-11-27(13-18(1
    6)9-19)25(31)20-10-15(6-8
    -23(20)29)24(30)28-12-17-
    3-2-4-22(26)21(17)14-28/h
    2-14,29H,1H3;
    CNJHIRFLYFXCOH-UHFFFAOYSA-N    		 c1c5c(cn1C(c4ccc(O)c(C(=O)n2cc3c(c2)cc(c
    c3)OC)c4)=O)c(F)ccc5; COc1ccc2cn(cc2c1)C
    (=O)c3cc(ccc3O)C(=O)n4cc5cccc(c5c4)F; CO
    c1ccc2cn(cc2c1)C(=O)c3cc(ccc3O)C(=O)n4cc
    5cccc(F)c5c4    		 [5-(4-fluoro-2H-isoindole-2-carbonyl)-2-hydroxyphenyl](5-methoxy-2H-isoindol-2-yl)methanone
    43520 UJW 1 C13 H15 N3 S InChI=1S/C13H15N3S/c14-7-
    6-11-10(8-12(17-11)13(15)
    16)9-4-2-1-3-5-9/h1-5,8H,
    6-7,14H2,(H3,15,16);
    KHPVBZDLURAJCV-UHFFFAOYSA-N    		 NCCc1sc(cc1c2ccccc2)C(N)=N; [H]/N=C(\c1c
    c(c(s1)CCN)c2ccccc2)/N; c1ccc(cc1)c2cc(s
    c2CCN)C(=N)N    		 5-(2-azanylethyl)-4-phenyl-thiophene-2-carboximidamide;
    5-(2-aminoethyl)-4-phenylthiophene-2-carboximidamide
    43521 UJX
    ZINC000103252954    		 1 C19 H18 N2 O5 InChI=1S/C19H18N2O5/c1-3-
    25-19(24)17-16(12-5-4-8-2
    0-10-12)14-7-6-13(23)9-15
    (14)26-18(17)21-11(2)22/h
    4-10,16,23H,3H2,1-2H3,(H,
    21,22)/t16-/m0/s1;
    GGBHINRNYAAYMX-INIZCTEOSA-N    		 CCOC(=O)C1=C(NC(C)=O)Oc2cc(O)ccc2[C@@H]1
    c3cccnc3; CCOC(=O)C1=C(Oc2cc(ccc2C1c3ccc
    nc3)O)NC(=O)C; CCOC(=O)C1=C(Oc2cc(ccc2[C
    @@H]1c3cccnc3)O)NC(=O)C; CCOC(=O)C1=C(NC
    (C)=O)Oc2cc(O)ccc2[CH]1c3cccnc3    		 ethyl 2-acetamido-7-hydroxy-4-(pyridin-3-yl)-4H-chromene-3-carboxylate;
    ethyl (4S)-2-acetamido-7-oxidanyl-4-pyridin-3-yl-4H-chromene-3-carboxylate;
    ethyl 2-(acetylamino)-7-hydroxy-4-pyridin-3-yl-4H-chromene-3-carboxylate
    43522 UJY 2 C45 H37 N2 O4 P InChI=1S/C45H37N2O4P/c48-
    43-24-22-33(44(49)46-29-3
    4-13-10-11-14-35(34)30-46
    )28-42(43)45(50)47-31-36-
    21-23-38(27-37(36)32-47)5
    1-25-12-26-52(39-15-4-1-5
    -16-39,40-17-6-2-7-18-40)
    41-19-8-3-9-20-41/h1-11,1
    3-24,27-32,48,52H,12,25-2
    6H2;
    LKRQAENWLOVTOO-UHFFFAOYSA-N    		 Oc1ccc(cc1C(=O)n2cc3ccc(OCCC[PH](c4ccccc
    4)(c5ccccc5)c6ccccc6)cc3c2)C(=O)n7cc8ccc
    cc8c7; c1ccc(cc1)P(CCCOc2ccc3cn(cc3c2)C(
    =O)c4cc(ccc4O)C(=O)n5cc6ccccc6c5)(c7cccc
    c7)c8ccccc8; c1(cc(ccc1O)C(n3cc2c(cccc2)
    c3)=O)C(=O)n4cc5c(c4)cc(cc5)OCCCP(c6cccc
    c6)(c7ccccc7)c8ccccc8    		 [2-hydroxy-5-(2H-isoindole-2-carbonyl)phenyl]{5-[3-(triphenyl-lambda~5~-phosphanyl)propoxy]-2H-isoindol-2-yl}methanone
    43523 UJZ
    ZINC000000090522    		 6 C8 H4 Br F3 N2 InChI=1S/C8H4BrF3N2/c9-5-
    1-4(8(10,11)12)2-6-7(5)14
    -3-13-6/h1-3H,(H,13,14);
    HYTQERQCUFICAX-UHFFFAOYSA-N    		 c1c(cc(c2c1[nH]cn2)Br)C(F)(F)F; FC(F)(F)
    c1cc(Br)c2nc[nH]c2c1    		 4-bromanyl-6-(trifluoromethyl)-1~{H}-benzimidazole
    43524 UK0
    CHEMBL461615
    ZINC000028536305    		 1 C20 H28 O3 InChI=1S/C20H28O3/c1-14-7
    -10-20(3)16(18(21)22)5-4-
    6-17(20)19(14,2)11-8-15-9
    -12-23-13-15/h5,9,12-14,1
    7H,4,6-8,10-11H2,1-3H3,(H
    ,21,22)/t14-,17-,19+,20+/
    m1/s1;
    HHWOKJDCJVESIF-JBCDFXQESA-N    		 C[C@@H]1CC[C@]2(C)[C@H](CCC=C2C(O)=O)[C@
    @]1(C)CCc3cocc3; CC1CCC2(C(C1(C)CCc3ccoc
    3)CCC=C2C(=O)O)C; C[C@@H]1CC[C@@]2([C@@H
    ]([C@@]1(C)CCc3ccoc3)CCC=C2C(=O)O)C; C[C
    H]1CC[C]2(C)[CH](CCC=C2C(O)=O)[C]1(C)CCc
    3cocc3    		 (4~{a}~{R},5~{S},6~{R},8~{a}~{R})-5-[2-(furan-3-yl)ethyl]-5,6,8~{a}-trimethyl-3,4,4~{a},6,7,8-hexahydronaphthalene-1-carboxylic acid
    43525 UK1 1 C47 H49 F2 N11 O5 InChI=1S/C47H49F2N11O5/c1
    -8-9-37(42-51-45(62)65-53
    -42)59-34-11-10-30(55-18-
    19-64-47(5,6)25-55)22-29(
    34)23-38(59)44(61)56-15-1
    4-33-39(28(56)4)43(60(52-
    33)31-20-26(2)40(48)27(3)
    21-31)58-17-16-57(46(58)6
    3)36-13-12-35-32(41(36)49
    )24-50-54(35)7/h10-13,16-
    17,20-24,28,37H,8-9,14-15
    ,18-19,25H2,1-7H3,(H,51,5
    3,62)/t28-,37-/m0/s1;
    WUVYFHGOFAAJMK-AIJWEMPKSA-N    		 CCCC(C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=O)N4C
    Cc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=CN(C7=
    O)c8ccc9c(c8F)cnn9C)C4C)N1CCOC(C1)(C)C;
    CCC[C@@H](C1=NOC(=O)N1)n2c3ccc(cc3cc2C(=
    O)N4CCc5c(c(n(n5)c6cc(c(c(c6)C)F)C)N7C=C
    N(C7=O)c8ccc9c(c8F)cnn9C)[C@@H]4C)N1CCOC
    (C1)(C)C; CCC[CH](n1c2ccc(cc2cc1C(=O)N3C
    Cc4nn(c5cc(C)c(F)c(C)c5)c(N6C=CN(C6=O)c7
    ccc8n(C)ncc8c7F)c4[CH]3C)N9CCOC(C)(C)C9)
    C%10=NOC(=O)N%10; c1(cc(cc(c1F)C)n7c(c2c
    (CCN(C2C)C(c5cc3c(ccc(c3)N4CCOC(C4)(C)C)
    n5C(CCC)C6=NOC(N6)=O)=O)n7)N8C=CN(C8=O)c
    9c(c%10c(cc9)n(C)nc%10)F)C; CCC[C@H](n1c
    2ccc(cc2cc1C(=O)N3CCc4nn(c5cc(C)c(F)c(C)
    c5)c(N6C=CN(C6=O)c7ccc8n(C)ncc8c7F)c4[C@
    @H]3C)N9CCOC(C)(C)C9)C%10=NOC(=O)N%10    		 3-{(1S)-1-[5-(2,2-dimethylmorpholin-4-yl)-2-{(4S)-2-(4-fluoro-3,5-dimethylphenyl)-3-[3-(4-fluoro-1-methyl-1H-indazol-5-yl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]-4-methyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carbonyl}-1H-indol-1-yl]butyl}-1,2,4-oxadiazol-5(4H)-one
    43526 UK2
    ZINC000169746924    		 13 C7 H8 B N O4 InChI=1S/C7H8BNO4/c1-5-2-
    3-6(8(10)11)4-7(5)9(12)13
    /h2-4,10-11H,1H3;
    OASVXBRTNVFKFS-UHFFFAOYSA-N    		 B(c1ccc(c(c1)[N+](=O)[O-])C)(O)O; Cc1ccc
    (cc1[N+]([O-])=O)B(O)O    		 (4-methyl-3-nitro-phenyl)-oxidanyl-oxidanylidene-boron
    43527 UK3 0 C101 H135 F N16 O25 S InChI=1S/C101H135FN16O25S
    /c1-12-80-101(7)87(58(4)8
    2(124)56(2)47-79(139-10)8
    6(59(5)88(128)100(6,102)9
    8(137)141-80)142-97-85(12
    7)76(114(8)9)48-57(3)140-
    97)118(99(138)143-101)44-
    20-19-43-116-53-73(112-11
    3-116)61-25-21-26-63(50-6
    1)106-90(130)70(39-46-144
    -11)108-92(132)71(49-60-3
    5-37-64(120)38-36-60)110-
    91(131)69(31-15-16-40-103
    )109-94(134)75-32-24-45-1
    17(75)96(136)74(55-119)11
    1-93(133)72(51-62-52-105-
    68-30-14-13-27-65(62)68)1
    07-81(123)54-115(95(135)6
    7-29-23-34-78(122)84(67)1
    26)42-18-17-41-104-89(129
    )66-28-22-33-77(121)83(66
    )125/h13-14,21-23,25-30,3
    3-38,50,52-53,56-59,69-72
    ,74-76,79-80,85-87,97,105
    ,119-122,125-127H,12,15-2
    0,24,31-32,39-49,51,54-55
    ,103H2,1-11H3,(H,104,129)
    (H,106,130)(H,107,123)(H,
    108,132)(H,109,134)(H,110
    ,131)(H,111,133)/t56-,57-
    ,58+,59-,69-,70-,71-,72-,
    74-,75-,76+,79-,80-,85-,8
    6-,87-,97+,100+,101-/m1/s
    1;
    CELYJJFZBWFIMS-JTHPDSKOSA-N    		 CCC1C2(C(C(C(=O)C(CC(C(C(C(=O)C(C(=O)O1)
    (C)F)C)OC3C(C(CC(O3)C)N(C)C)O)OC)C)C)N(C
    (=O)O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)C(CC
    SC)NC(=O)C(Cc6ccc(cc6)O)NC(=O)C(CCCCN)NC
    (=O)C7CCCN7C(=O)C(CO)NC(=O)C(Cc8c[nH]c9c
    8cccc9)NC(=O)CN(CCCCNC(=O)c1cccc(c1O)O)C
    (=O)c1cccc(c1O)O)C; CC[C@@H]1[C@@]2([C@@
    H]([C@H](C(=O)[C@@H](C[C@H]([C@@H]([C@H]
    (C(=O)[C@](C(=O)O1)(C)F)C)O[C@H]3[C@@H](
    [C@H](C[C@H](O3)C)N(C)C)O)OC)C)C)N(C(=O)
    O2)CCCCn4cc(nn4)c5cccc(c5)NC(=O)[C@@H](C
    CSC)NC(=O)[C@@H](Cc6ccc(cc6)O)NC(=O)[C@@
    H](CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO
    )NC(=O)[C@@H](Cc8c[nH]c9c8cccc9)NC(=O)CN
    (CCCCNC(=O)c1cccc(c1O)O)C(=O)c1cccc(c1O)
    O)C; CC[CH]1OC(=O)[C](C)(F)C(=O)[CH](C)[
    CH](O[CH]2O[CH](C)C[CH]([CH]2O)N(C)C)[CH
    ](C[CH](C)C(=O)[CH](C)[CH]3N(CCCCn4cc(nn
    4)c5cccc(NC(=O)[CH](CCSC)NC(=O)[CH](Cc6c
    cc(O)cc6)NC(=O)[CH](CCCCN)NC(=O)[CH]7CCC
    N7C(=O)[CH](CO)NC(=O)[CH](Cc8c[nH]c9cccc
    c89)NC(=O)CN(CCCCNC(=O)c%10cccc(O)c%10O)
    C(=O)c%11cccc(O)c%11O)c5)C(=O)O[C]13C)OC
    ; CC[C@H]1OC(=O)[C@@](C)(F)C(=O)[C@H](C)
    [C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)
    N(C)C)[C@@H](C[C@@H](C)C(=O)[C@H](C)[C@H
    ]3N(CCCCn4cc(nn4)c5cccc(NC(=O)[C@@H](CCS
    C)NC(=O)[C@@H](Cc6ccc(O)cc6)NC(=O)[C@@H]
    (CCCCN)NC(=O)[C@H]7CCCN7C(=O)[C@@H](CO)N
    C(=O)[C@@H](Cc8c[nH]c9ccccc89)NC(=O)CN(C
    CCCNC(=O)c%10cccc(O)c%10O)C(=O)c%11cccc(
    O)c%11O)c5)C(=O)O[C@]13C)OC    		 (2~{R})-~{N}-[(2~{R})-6-azanyl-1-[[(2~{R})-1-[[(2~{R})-1-[[3-[1-[4-[(1~{S},2~{R},5~{S},7~{R},8~{R},9~{R},11~{R},13~{R},14~{R})-8-[(2~{S},3~{R},4~{S},6~{R})-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-2-ethyl-5-fluoranyl-9-methoxy-1,5,7,11,13-pentamethyl-4,6,12,16-tetrakis(oxidanylidene)-3,17-dioxa-15-azabicyclo[12.3.0]heptadecan-15-yl]butyl]-1,2,3-triazol-4-yl]phenyl]amino]-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-hexan-2-yl]-1-[(2~{R})-2-[[(2~{R})-2-[2-[[2,3-bis(oxidanyl)phenyl]carbonyl-[4-[[2,3-bis(oxidanyl)phenyl]carbonylamino]butyl]amino]ethanoylamino]-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoyl]pyrrolidine-2-carboxamide
    43528 UK4
    CHEMBL4518483
    DB16043    		 4 C31 H30 F N5 O4 InChI=1S/C31H30FN5O4/c32-
    25-14-20(16-33)4-5-23(25)
    19-41-30-3-1-2-26(35-30)2
    1-8-11-36(12-9-21)18-29-3
    4-27-7-6-22(31(38)39)15-2
    8(27)37(29)17-24-10-13-40
    -24/h1-7,14-15,21,24H,8-1
    3,17-19H2,(H,38,39)/t24-/
    m0/s1;
    HYBAKUMPISVZQP-DEOSSOPVSA-N    		 OC(=O)c1ccc2nc(CN3CCC(CC3)c4cccc(OCc5ccc
    (cc5F)C#N)n4)n(C[CH]6CCO6)c2c1; c1cc(nc(
    c1)OCc2ccc(cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(
    cc5n4CC6CCO6)C(=O)O; c1cc(nc(c1)OCc2ccc(
    cc2F)C#N)C3CCN(CC3)Cc4nc5ccc(cc5n4C[C@@H
    ]6CCO6)C(=O)O; OC(=O)c1ccc2nc(CN3CCC(CC3
    )c4cccc(OCc5ccc(cc5F)C#N)n4)n(C[C@@H]6CC
    O6)c2c1; C1OC(C1)Cn6c(CN4CCC(c3cccc(OCc2
    c(cc(cc2)C#N)F)n3)CC4)nc5c6cc(C(O)=O)cc5    		 2-[(4-{6-[(4-cyano-2-fluorophenyl)methoxy]pyridin-2-yl}piperidin-1-yl)methyl]-1-{[(2S)-oxetan-2-yl]methyl}-1H-benzimidazole-6-carboxylic acid
    43529 UK5 1 C9 H7 N O2 InChI=1S/C9H7NO2/c11-9-5-
    6-10(12)8-4-2-1-3-7(8)9/h
    1-6,12H;
    AJTLULFWRGRNEZ-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C=CN2O; ON1C=CC(=O)c2ccc
    cc12    		 1-oxidanylquinolin-4-one
    43530 UK6
    CHEMBL294740
    ZINC000003881344    		 1 C20 H36 O2 InChI=1S/C20H36O2/c1-7-18
    (4,21)13-9-16-19(5)12-8-1
    1-17(2,3)15(19)10-14-20(1
    6,6)22/h7,15-16,21-22H,1,
    8-14H2,2-6H3/t15-,16+,18-
    ,19-,20+/m0/s1;
    XVULBTBTFGYVRC-HHUCQEJWSA-N    		 CC1(C)CCC[C]2(C)[CH]1CC[C](C)(O)[CH]2CC[
    C](C)(O)C=C; C[C@]12CCCC([C@@H]1CC[C@@](
    [C@@H]2CC[C@](C)(C=C)O)(C)O)(C)C; CC1(CC
    CC2(C1CCC(C2CCC(C)(C=C)O)(C)O)C)C; CC1(C
    )CCC[C@@]2(C)[C@H]1CC[C@@](C)(O)[C@@H]2C
    C[C@@](C)(O)C=C    		 sclareol;
    (1R,2R,4aS,8aS)-2,5,5,8a-tetramethyl-1-[(3R)-3-methyl-3-oxidanyl-pent-4-enyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol;
    (13R)-Labd-14-ene-8,13-diol
    43531 UK7
    CHEMBL4546073    		 4 C18 H19 N3 O S InChI=1S/C18H19N3OS/c19-1
    0-12-4-5-15-16(11-21(6-7-
    22)17(15)8-12)13-2-1-3-14
    (9-13)18(20)23/h1-5,8-9,1
    1,22H,6-7,10,19H2,(H2,20,
    23);
    CIMSFIOQZTXZEP-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CN)CCO
    ; C(=S)(N)c3cc(c2c1c(cc(cc1)CN)n(c2)CCO)
    ccc3; NCc1ccc2c(c1)n(CCO)cc2c3cccc(c3)C(
    N)=S    		 3-[6-(aminomethyl)-1-(2-hydroxyethyl)-1H-indol-3-yl]benzene-1-carbothioamide
    43532 UK8
    CHEMBL5180168    		 1 C21 H13 Cl F3 N3 O4 InChI=1S/C21H13ClF3N3O4/c
    22-16-3-1-2-15(21(23,24)2
    5)17(16)18-14(19(32-28-18
    )12-8-26-27-9-12)10-31-13
    -6-4-11(5-7-13)20(29)30/h
    1-9H,10H2,(H,26,27)(H,29,
    30);
    OPIGXBQPAXXYLU-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]nc4)cc1; c1cc(c(c(c1)Cl)c2c(c(
    on2)c3c[nH]nc3)COc4ccc(cc4)C(=O)O)C(F)(F
    )F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrazol-4-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid
    43533 UK9
    CHEMBL75267
    ZINC000000057657    		 3 C15 H10 O4 InChI=1S/C15H10O4/c16-11-
    7-6-10-12(17)8-13(19-15(1
    0)14(11)18)9-4-2-1-3-5-9/
    h1-8,16,18H;
    COCYGNDCWFKTMF-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)c3ccc(c(c3O2)O)O; Oc1
    ccc2C(=O)C=C(Oc2c1O)c3ccccc3    		 7,8-bis(oxidanyl)-2-phenyl-chromen-4-one
    43534 UKA
    CHEMBL1096896
    DB12691
    ZINC000095539256    		 5 C40 H47 N11 O6 InChI=1S/C40H47N11O6/c1-2
    -41-37(54)33-31(52)32(53)
    39(57-33)51-24-46-30-34(4
    5-23-28(25-11-5-3-6-12-25
    )26-13-7-4-8-14-26)48-35(
    49-36(30)51)38(55)43-19-2
    0-44-40(56)47-27-16-21-50
    (22-17-27)29-15-9-10-18-4
    2-29/h3-15,18,24,27-28,31
    -33,39,52-53H,2,16-17,19-
    23H2,1H3,(H,41,54)(H,43,5
    5)(H2,44,47,56)(H,45,48,4
    9)/t31-,32+,33-,39+/m0/s1;
    ZOTHAEBAWXWVID-HXEFRTELSA-N    		 CCNC(=O)C1C(C(C(O1)n2cnc3c2nc(nc3NCC(c4c
    cccc4)c5ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)
    c7ccccn7)O)O; CCNC(=O)[CH]1O[CH]([CH](O)
    [CH]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(
    nc23)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7;
    O=C(NC2CCN(c1ncccc1)CC2)NCCNC(=O)c3nc(c4
    ncn(c4n3)C5OC(C(=O)NCC)C(O)C5O)NCC(c6ccc
    cc6)c7ccccc7; CCNC(=O)[C@@H]1[C@H]([C@H]
    ([C@@H](O1)n2cnc3c2nc(nc3NCC(c4ccccc4)c5
    ccccc5)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7
    )O)O; CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H
    ]1O)n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(nc2
    3)C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7    		 6-(2,2-diphenylethylamino)-9-[(2R,3R,4S,5S)-5-(ethylcarbamoyl)-3,4-dihydroxy-oxolan-2-yl]-N-[2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethyl]purine-2-carboxamide
    43535 UKB
    CHEMBL5177875    		 1 C22 H13 Cl F4 N2 O4 InChI=1S/C22H13ClF4N2O4/c
    23-16-3-1-2-15(22(25,26)2
    7)18(16)19-14(20(33-29-19
    )11-6-7-28-9-11)10-32-12-
    4-5-13(21(30)31)17(24)8-1
    2/h1-9,28H,10H2,(H,30,31);
    WKGLEAWUJDYKCF-UHFFFAOYSA-N    		 OC(=O)c1ccc(OCc2c(onc2c3c(Cl)cccc3C(F)(F
    )F)c4c[nH]cc4)cc1F; c1cc(c(c(c1)Cl)c2c(c
    (on2)c3cc[nH]c3)COc4ccc(c(c4)F)C(=O)O)C(
    F)(F)F    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]-2-fluoranyl-benzoic acid
    43536 UKC
    CHEMBL42906
    ZINC000000005563    		 0 C17 H17 N5 O InChI=1S/C17H17N5O/c1-4-2
    1-15-12(6-5-9-18-15)16-19
    -10-11(2)22(16)13-7-8-14(
    23-3)20-17(13)21/h5-10H,4
    H2,1-3H3;
    WCIBELXOPRCLEG-UHFFFAOYSA-N    		 CCN1c2c(cccn2)-c3ncc(n3-c4c1nc(cc4)OC)C;
    CCN1c2nc(OC)ccc2n3c(C)cnc3c4cccnc14; n3
    c(OC)ccc4n1c(ncc1C)c2cccnc2N(c34)CC    		 8-ETHYL-6-METHOXY-3-METHYL-8H-1,3A,7,8,9-PENTAAZA-DIBENZO[E,H]AZULENE
    43537 UKD 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)1-9-2-4(7-8-9)15(1
    2,13)14/h2-3H,1,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    ANOPRINJTAMRJE-VKHMYHEASA-N    		 c1c(nnn1CC(C(=O)O)N)P(=O)(O)O; c1c(nnn1C
    [C@@H](C(=O)O)N)P(=O)(O)O; N[C@@H](Cn1cc
    (nn1)[P](O)(O)=O)C(O)=O; OP(=O)(O)c1nnn(
    c1)CC(N)C(O)=O; N[CH](Cn1cc(nn1)[P](O)(O
    )=O)C(O)=O    		 3-(4-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine;
    pHis
    43538 UKE
    ZINC000072338580    		 1 C9 H7 N O4 InChI=1S/C9H7NO4/c1-13-5-
    2-3-7-6(4-5)10-8(14-7)9(1
    1)12/h2-4H,1H3,(H,11,12);
    SNQUKJWKYRHONV-UHFFFAOYSA-N    		 COc1ccc2c(c1)nc(o2)C(=O)O; COc1ccc2oc(nc
    2c1)C(O)=O    		 5-methoxy-1,3-benzoxazole-2-carboxylic acid;
    5-Methoxybenzo[d]oxazole-2-carboxylic acid
    43539 UKF
    CHEMBL5405744    		 2 C24 H35 N5 O7 InChI=1S/C24H35N5O7/c30-1
    4-19-21(32)22(33)20(31)13
    -28(19)11-4-2-1-3-10-25-1
    7-9-8-16(12-18(17)29(34)3
    5)23-26-24(36-27-23)15-6-
    5-7-15/h8-9,12,15,19-22,2
    5,30-33H,1-7,10-11,13-14H
    2/t19-,20+,21-,22-/m1/s1;
    QTIHMFZOPONAII-CIAFKFPVSA-N    		 OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CC
    CCCCNc2ccc(cc2[N+]([O-])=O)c3noc(n3)C4CC
    C4; c1cc(c(cc1c2nc(on2)C3CCC3)[N+](=O)[O
    -])NCCCCCCN4CC(C(C(C4CO)O)O)O; OC[CH]1[C
    H](O)[CH](O)[CH](O)CN1CCCCCCNc2ccc(cc2[N
    +]([O-])=O)c3noc(n3)C4CCC4; OCC1C(O)C(O)
    C(O)CN1CCCCCCNc1ccc(cc1[N+]([O-])=O)c1nc
    (on1)C1CCC1; c1cc(c(cc1c2nc(on2)C3CCC3)[
    N+](=O)[O-])NCCCCCCN4C[C@@H]([C@H]([C@@H
    ]([C@H]4CO)O)O)O    		 (2R,3R,4R,5S)-1-(6-{[(4P)-4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-2-nitrophenyl]amino}hexyl)-2-(hydroxymethyl)piperidine-3,4,5-triol
    43540 UKG
    CHEMBL5497200    		 2 C11 H7 Br Cl N5 O2 S2 InChI=1S/C11H7BrClN5O2S2/
    c12-8-5-9(21-10(8)13)22(1
    9,20)16-7-3-1-2-6(4-7)11-
    14-17-18-15-11/h1-5,16H,(
    H,14,15,17,18);
    LKCZAUKSYHEDJR-UHFFFAOYSA-N    		 Clc1sc(cc1Br)[S](=O)(=O)Nc2cccc(c2)c3[nH
    ]nnn3; c1cc(cc(c1)NS(=O)(=O)c2cc(c(s2)Cl
    )Br)c3[nH]nnn3    		 4-bromanyl-5-chloranyl-~{N}-[3-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]thiophene-2-sulfonamide
    43541 UKH
    CHEMBL91108
    ZINC000169743514    		 10 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-1-3-6(4-2-5)8(11)12/h1
    -4,9-10H;
    NSFJAFZHYOAMHL-UHFFFAOYSA-N    		 OB(O)c1ccc(cc1)[N+]([O-])=O; B(c1ccc(cc1
    )[N+](=O)[O-])(O)O    		 p-nitrophenylboronic acid;
    (4-nitrophenyl)boronic acid
    43542 UKI
    CHEMBL4297190
    DB15106
    ZINC000117218067    		 3 C24 H28 N6 O3 S InChI=1S/C24H28N6O3S/c1-1
    7-13-19-15-21(7-8-22(19)2
    7-17)33-23-9-10-25-24(29-
    23)28-20-6-4-5-18(14-20)1
    6-34(31,32)26-11-12-30(2)
    3/h4-10,13-15,26-27H,11-1
    2,16H2,1-3H3,(H,25,28,29);
    TTZSNFLLYPYKIL-UHFFFAOYSA-N    		 CN(C)CCN[S](=O)(=O)Cc1cccc(Nc2nccc(Oc3cc
    c4[nH]c(C)cc4c3)n2)c1; Cc1cc2cc(ccc2[nH]
    1)Oc3ccnc(n3)Nc4cccc(c4)CS(=O)(=O)NCCN(C
    )C    		 Sulfatinib;
    N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1H-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide
    43543 UKJ 1 C13 H7 Br F3 N O5 S InChI=1S/C13H7BrF3NO5S/c1
    4-7-3-8(15)5-9(4-7)23-12-
    2-1-10(6-11(12)18(19)20)2
    4(21,22)13(16)17/h1-6,13H;
    DRYZYPGPBXQGKZ-UHFFFAOYSA-N    		 [O-][N+](c1c(ccc(c1)S(C(F)F)(=O)=O)Oc2cc
    (Br)cc(c2)F)=O; [O-][N+](=O)c1cc(ccc1Oc2
    cc(F)cc(Br)c2)[S](=O)(=O)C(F)F; c1cc(c(c
    c1S(=O)(=O)C(F)F)[N+](=O)[O-])Oc2cc(cc(c
    2)Br)F    		 1-(3-bromo-5-fluorophenoxy)-4-[(difluoromethyl)sulfonyl]-2-nitrobenzene
    43544 UKK
    ZINC000000158925    		 1 C11 H10 N2 O InChI=1S/C11H10N2O/c12-9-
    6-7-11(13-8-9)14-10-4-2-1
    -3-5-10/h1-8H,12H2;
    DETKIRMPBJPJRQ-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cn2)N; Nc1ccc(Oc2ccccc2
    )nc1    		 6-phenoxy-3-pyridinamine;
    6-phenoxypyridin-3-amine
    43545 UKL 1 C37 H66 N7 O17 P3 S InChI=1S/C37H66N7O17P3S/c
    1-4-5-6-7-8-9-10-11-12-13
    -14-15-16-26(45)22-65-20-
    19-39-28(46)17-18-40-35(4
    9)32(48)37(2,3)23-58-64(5
    5,56)61-63(53,54)57-21-27
    -31(60-62(50,51)52)30(47)
    36(59-27)44-25-43-29-33(3
    8)41-24-42-34(29)44/h24-2
    5,27,30-32,36,47-48H,4-23
    H2,1-3H3,(H,39,46)(H,40,4
    9)(H,53,54)(H,55,56)(H2,3
    8,41,42)(H2,50,51,52)/t27
    -,30-,31-,32+,36-/m1/s1;
    IAOAEHHNNYJGNY-WOQKIVQTSA-N    		 CCCCCCCCCCCCCCC(=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)n2
    cnc3c(N)ncnc23; CCCCCCCCCCCCCCC(=O)CSCCN
    C(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)
    (O)OCC1OC(n2cnc3c(N)ncnc32)C(O)C1OP(=O)(
    O)O; CCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=
    O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CCCCCC
    CCCCCCCCC(=O)CSCCNC(=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)n2cnc3c2ncnc3N)O)OP(=O)(O
    )O)O; CCCCCCCCCCCCCCC(=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)n2
    cnc3c(N)ncnc23    		 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(2-oxohexadecyl)sulfanyl]ethyl}amino)propyl]amino}butyl dihydrogen diphosphate (non-preferred name)
    43546 UKM
    ZINC000006381313    		 2 C4 H10 O4 S InChI=1S/C4H10O4S/c1-2-3-
    4(5)9(6,7)8/h4-5H,2-3H2,1
    H3,(H,6,7,8)/t4-/m1/s1;
    KMBRJVMBQNMRDM-SCSAIBSYSA-N    		 CCC[C@H](O)[S](O)(=O)=O; CCC[CH](O)[S](O
    )(=O)=O; CCCC(O)S(=O)(=O)O; CCC[C@H](O)S
    (=O)(=O)O; C(CCC)(O)S(=O)(O)=O    		 (1R)-1-hydroxybutane-1-sulfonic acid
    43547 UKN 1 C12 H8 Cl F N2 O4 InChI=1S/C12H8ClFN2O4/c13
    -7-3-1-6(2-4-7)5-20-11(18
    )9-8(14)10(17)16-12(19)15
    -9/h1-4H,5H2,(H2,15,16,17
    ,19);
    QEEOXIYGELWSIT-UHFFFAOYSA-N    		 FC1=C(NC(=O)NC1=O)C(=O)OCc2ccc(Cl)cc2; c
    1cc(ccc1COC(=O)C2=C(C(=O)NC(=O)N2)F)Cl;
    O=C1NC(C(=O)OCc2ccc(Cl)cc2)=C(F)C(=O)N1    		 (4-chlorophenyl)methyl 5-fluoro-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
    43548 UKO
    ZINC000137062568    		 2 C14 H18 N4 O3 S2 InChI=1S/C14H18N4O3S2/c15
    -13-10(3-1-7-16-23(20,21)
    11-5-6-11)9-18(14(19)17-1
    3)12-4-2-8-22-12/h9,11-12
    ,16H,2,4-8H2,(H2,15,17,19
    )/t12-/m1/s1;
    DXQFIQXYAWBCLC-GFCCVEGCSA-N    		 NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[C
    H]3CCCS3; NC1=NC(=O)N(C=C1C#CCN[S](=O)(=
    O)C2CC2)[C@H]3CCCS3; C1C[C@@H](SC1)N2C=C
    (C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3; C1CC(SC
    1)N2C=C(C(=NC2=O)N)C#CCNS(=O)(=O)C3CC3    		 ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide
    43549 UKP
    CHEMBL212616
    DB04172
    ZINC000014881108    		 1 C32 H48 N6 O4 S InChI=1S/C32H48N6O4S/c1-2
    0(2)25-18-26(21(3)4)30(27
    (19-25)22(5)6)43(41,42)36
    -28(17-23-8-7-9-24(16-23)
    31(34)35)32(40)38-14-12-3
    7(13-15-38)29(39)10-11-33
    /h7-9,16,18-22,28,36H,10-
    15,17,33H2,1-6H3,(H3,34,3
    5)/t28-/m0/s1;
    WATXEHGLYJKXOF-NDEPHWFRSA-N    		 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)[S](=O)(=O)
    N[C@@H](Cc2cccc(c2)C(N)=N)C(=O)N3CCN(CC3
    )C(=O)CCN; CC(C)c1cc(C(C)C)c(c(c1)C(C)C)
    [S](=O)(=O)N[CH](Cc2cccc(c2)C(N)=N)C(=O)
    N3CCN(CC3)C(=O)CCN; CC(C)c1cc(c(c(c1)C(C
    )C)S(=O)(=O)NC(Cc2cccc(c2)C(=N)N)C(=O)N3
    CCN(CC3)C(=O)CCN)C(C)C; O=C(N3CCN(C(=O)C
    (NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C
    c2cc(C(=[N@H])N)ccc2)CC3)CCN; CC(C)c1cc(
    c(c(c1)C(C)C)S(=O)(=O)N[C@@H](Cc2cccc(c2
    )C(=N)N)C(=O)N3CCN(CC3)C(=O)CCN)C(C)C    		 [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINYL]]-N'-BETA-ALANINYL-PIPERAZINE;
    [2,4,6-TRIISOPROPYL-PHENYLSULFONYL-L-[3-AMIDINO-PHENYLALANINE]]-PIPERAZINE-N'-BETA-ALANINE
    43550 UKQ 1 C7 H12 O5 InChI=1S/C7H12O5/c8-1-2-3
    (9)4(10)5(11)7-6(2)12-7/h
    2-11H,1H2/t2-,3-,4+,5+,6+
    ,7-/m1/s1;
    YQLWKYQDOQEWRD-BYNCVWKDSA-N    		 OC[CH]1[CH](O)[CH](O)[CH](O)[CH]2O[CH]12
    ; C([C@@H]1[C@H]([C@@H]([C@@H]([C@@H]2[C
    @H]1O2)O)O)O)O; OC[C@@H]1[C@@H](O)[C@H](
    O)[C@H](O)[C@H]2O[C@@H]12; C(C1C(C(C(C2C
    1O2)O)O)O)O    		 (1R,6S)-5beta-(Hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2beta,3beta,4alpha-triol;
    (1~{R},2~{S},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol;
    epi-manno-cyclophellitol
    43551 UKR
    CHEMBL5280882    		 6 C31 H40 F2 N2 O4 S InChI=1S/C31H40F2N2O4S/c3
    2-26-6-8-28(9-7-26)40(38,
    39)17-12-23-10-15-34(16-1
    1-23)19-25-20-35(22-31(30
    (36)37)13-1-2-14-31)21-29
    (25)24-4-3-5-27(33)18-24/
    h3-9,18,23,25,29H,1-2,10-
    17,19-22H2,(H,36,37)/t25-
    ,29+/m0/s1;
    JLKKIAYYHXNZIY-ABYGYWHVSA-N    		 Fc1ccc(cc1)S(=O)(=O)CCC1CCN(CC1)CC1CN(CC
    2(CCCC2)C(=O)O)CC1c1cccc(F)c1; OC(=O)C1(
    CCCC1)CN2C[CH](CN3CCC(CC3)CC[S](=O)(=O)c
    4ccc(F)cc4)[CH](C2)c5cccc(F)c5; c1cc(cc(
    c1)F)C2CN(CC2CN3CCC(CC3)CCS(=O)(=O)c4ccc
    (cc4)F)CC5(CCCC5)C(=O)O; c1cc(cc(c1)F)[C
    @H]2CN(C[C@@H]2CN3CCC(CC3)CCS(=O)(=O)c4c
    cc(cc4)F)CC5(CCCC5)C(=O)O; OC(=O)C1(CCCC
    1)CN2C[C@H](CN3CCC(CC3)CC[S](=O)(=O)c4cc
    c(F)cc4)[C@H](C2)c5cccc(F)c5    		 1-{[(3S,4S)-3-({4-[2-(4-fluorobenzene-1-sulfonyl)ethyl]piperidin-1-yl}methyl)-4-(3-fluorophenyl)pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    43552 UKS
    CHEMBL4876525    		 2 C20 H27 B N4 O4 InChI=1S/C20H27BN4O4/c1-2
    -7-16(24-20(27)17-14-22-1
    2-13-23-17)19(26)25-18(21
    (28)29)11-6-10-15-8-4-3-5
    -9-15/h3-5,8-9,12-14,16,1
    8,28-29H,2,6-7,10-11H2,1H
    3,(H,24,27)(H,25,26)/t16-
    ,18+/m1/s1;
    KSQVGVMZECCPAT-AEFFLSMTSA-N    		 CCC[C@@H](NC(=O)c1cnccn1)C(=O)N[C@@H](CC
    Cc2ccccc2)B(O)O; B([C@H](CCCc1ccccc1)NC(
    =O)[C@@H](CCC)NC(=O)c2cnccn2)(O)O; CCC[C
    H](NC(=O)c1cnccn1)C(=O)N[CH](CCCc2ccccc2
    )B(O)O; B(C(CCCc1ccccc1)NC(=O)C(CCC)NC(=
    O)c2cnccn2)(O)O; C(CCC)(NC(c1cnccn1)=O)C
    (=O)NC(B(O)O)CCCc2ccccc2    		 [(1R)-4-phenyl-1-{[N-(pyrazine-2-carbonyl)-D-norvalyl]amino}butyl]boronic acid
    43553 UKT 1 C7 H14 O5 InChI=1S/C7H14O5/c8-2-3-4
    (9)1-5(10)7(12)6(3)11/h3-
    12H,1-2H2/t3-,4+,5+,6+,7+
    /m0/s1;
    RRGKETGQYFXIFR-CQOGJGKDSA-N    		 OC[CH]1[CH](O)C[CH](O)[CH](O)[CH]1O; C1[
    C@H]([C@@H]([C@H]([C@@H]([C@@H]1O)O)O)CO
    )O; C1C(C(C(C(C1O)O)O)CO)O; OC[C@H]1[C@H
    ](O)C[C@@H](O)[C@@H](O)[C@@H]1O    		 (1R,2R,3R,4S,5R)-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol;
    (1~{R},2~{R},3~{R},4~{S},5~{R})-4-(hydroxymethyl)cyclohexane-1,2,3,5-tetrol
    43554 UKU
    ZINC000301054534    		 2 C21 H34 N6 O16 P2 InChI=1S/C21H34N6O16P2/c1
    -7(2)12(30)15(33)19(34)26
    -45(38,39)42-10-3-8(29)20
    (41-10)27-6-24-11-17(22-5
    -23-18(11)27)25-44(36,37)
    43-16-14(32)13(31)9(4-28)
    40-21(16)35/h5-10,12-16,2
    0-21,28-33,35H,3-4H2,1-2H
    3,(H2,26,34,38,39)(H2,22,
    23,25,36,37)/t8-,9+,10+,1
    2-,13+,14-,15+,16+,20+,21
    -/m0/s1;
    KOMSNTWZRZGGEF-IPMHYPRDSA-N    		 CC(C)[CH](O)[CH](O)C(=O)N[P](O)(=O)O[CH]
    1C[CH](O)[CH](O1)n2cnc3c(N[P](O)(=O)O[CH
    ]4[CH](O)O[CH](CO)[CH](O)[CH]4O)ncnc23;
    CC(C)[C@H](O)[C@@H](O)C(=O)N[P](O)(=O)O[
    C@@H]1C[C@H](O)[C@@H](O1)n2cnc3c(N[P](O)
    (=O)O[C@H]4[C@@H](O)O[C@H](CO)[C@@H](O)[
    C@@H]4O)ncnc23; CC(C)[C@@H]([C@H](C(=O)N
    P(=O)(O)O[C@@H]1C[C@@H]([C@@H](O1)n2cnc3
    c2ncnc3NP(=O)(O)O[C@@H]4[C@H]([C@@H]([C@
    H](O[C@@H]4O)CO)O)O)O)O)O; CC(C)C(C(C(=O
    )NP(=O)(O)OC1CC(C(O1)n2cnc3c2ncnc3NP(=O)
    (O)OC4C(C(C(OC4O)CO)O)O)O)O)O    		 [(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]oxy-N-[9-[(2R,3S,5R)-5-[[[(2R,3S)-4-methyl-2,3-bis(oxidanyl)pentanoyl]amino]-oxidanyl-phosphoryl]oxy-3-oxidanyl-oxolan-2-yl]purin-6-yl]phosphonamidic acid;
    Agrocin 84 (alpha-D-glucopyranose form)
    43555 UKV
    CHEMBL402427
    ZINC000016989176    		 2 C11 H9 N O2 S2 InChI=1S/C11H9NO2S2/c1-14
    -8-4-2-3-7(5-8)6-9-10(13)
    12-11(15)16-9/h2-6H,1H3,(
    H,12,13,15)/b9-6-;
    ZXBRDIMYFRPBGK-TWGQIWQCSA-N    		 COc1cccc(c1)C=C2C(=O)NC(=S)S2; COc1cccc(
    c1)/C=C\2/C(=O)NC(=S)S2; COc2cccc([C@H]=
    C1C(NC(S1)=S)=O)c2; COc1cccc(c1)/C=C/2SC
    (=S)NC/2=O; COc1cccc(c1)C=C2SC(=S)NC2=O    		 (5Z)-5-[(3-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    43556 UKW
    ZINC000058649341    		 5 C13 H12 N2 O4 InChI=1S/C13H12N2O4/c1-3-
    9-4-6-10(7-5-9)12(17)14-1
    1(8(2)16)13(18)15-19/h1,4
    -8,11,16H,2H3,(H,14,17)/t
    8-,11+/m1/s1;
    JJXZDQZGPLQGCP-KCJUWKMLSA-N    		 C[C@H]([C@@H](C(=O)N=O)NC(=O)c1ccc(cc1)C
    #C)O; C[CH](O)[CH](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O; O=C(NC(C(=O)N=O)C(O)C)c1ccc(C#C
    )cc1; CC(C(C(=O)N=O)NC(=O)c1ccc(cc1)C#C)
    O; C[C@@H](O)[C@H](NC(=O)c1ccc(cc1)C#C)C
    (=O)N=O    		 4-ethynyl-N-[(1S,2R)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide
    43557 UKX
    CHEMBL1286
    DB01202
    ZINC000001547851    		 8 C8 H14 N2 O2 InChI=1S/C8H14N2O2/c1-2-6
    (8(9)12)10-5-3-4-7(10)11/
    h6H,2-5H2,1H3,(H2,9,12)/t
    6-/m0/s1;
    HPHUVLMMVZITSG-LURJTMIESA-N    		 CC[CH](N1CCCC1=O)C(N)=O; CC[C@H](N1CCCC1
    =O)C(N)=O; CCC(C(=O)N)N1CCCC1=O; CC[C@@H
    ](C(=O)N)N1CCCC1=O    		 (2S)-2-(2-oxidanylidenepyrrolidin-1-yl)butanamide;
    levetiracetam
    43558 UKY 0 C5 H9 N4 O5 P InChI=1S/C5H9N4O5P/c6-3(5
    (10)11)2-9-4(1-7-8-9)15(1
    2,13)14/h1,3H,2,6H2,(H,10
    ,11)(H2,12,13,14)/t3-/m0/
    s1;
    HPSKGWJBNSTWIZ-VKHMYHEASA-N    		 c1c(n(nn1)CC(C(=O)O)N)P(=O)(O)O; c1c(n(n
    n1)C[C@@H](C(=O)O)N)P(=O)(O)O; N[CH](Cn1
    nncc1[P](O)(O)=O)C(O)=O; N[C@@H](Cn1nncc
    1[P](O)(O)=O)C(O)=O; C(O)(C(N)Cn1c(P(=O)
    (O)O)cnn1)=O    		 3-(5-phosphono-1H-1,2,3-triazol-1-yl)-L-alanine
    43559 UKZ
    CHEMBL4875583    		 1 C21 H23 Cl N2 O3 InChI=1S/C21H23ClN2O3/c1-
    3-6-18(20(26)13-7-4-9-16(
    22)12(13)2)24-21(27)14-8-
    5-10-17-15(14)11-19(25)23
    -17/h4-5,7-10,18,20,26H,3
    ,6,11H2,1-2H3,(H,23,25)(H
    ,24,27)/t18-,20+/m1/s1;
    MQQHOEONXLJMLA-QUCCMNQESA-N    		 CCC[C@@H](NC(=O)c1cccc2NC(=O)Cc12)[C@@H]
    (O)c3cccc(Cl)c3C; CCC[C@H]([C@H](c1cccc(
    c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3; CCCC(C
    (c1cccc(c1C)Cl)O)NC(=O)c2cccc3c2CC(=O)N3
    ; CCC[CH](NC(=O)c1cccc2NC(=O)Cc12)[CH](O
    )c3cccc(Cl)c3C    		 N-((1S,2R)-1-(3-chloro-2-methylphenyl)-1-hydroxypentan-2-yl)-2-oxoindoline-4-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide;
    N-[(1S,2R)-1-(3-chloranyl-2-methyl-phenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-1,3-dihydroindole-4-carboxamide
    43560 UL0
    CHEMBL5271123    		 6 C32 H47 F N4 O2 InChI=1S/C32H47FN4O2/c1-4
    -27-29(5-2)34-37(6-3)30(2
    7)23-12-16-35(17-13-23)19
    -25-20-36(22-32(31(38)39)
    14-7-8-15-32)21-28(25)24-
    10-9-11-26(33)18-24/h9-11
    ,18,23,25,28H,4-8,12-17,1
    9-22H2,1-3H3,(H,38,39)/t2
    5-,28+/m0/s1;
    PCCHYTAFAXFIAW-LBNVMWSVSA-N    		 CCc1nn(CC)c(c1CC)C1CCN(CC2CN(CC3(CCCC3)C
    (=O)O)CC2c2cccc(F)c2)CC1; CCc1c(nn(c1C2C
    CN(CC2)CC3CN(CC3c4cccc(c4)F)CC5(CCCC5)C(
    =O)O)CC)CC; CCn1nc(CC)c(CC)c1C2CCN(CC2)C
    [C@H]3CN(C[C@@H]3c4cccc(F)c4)CC5(CCCC5)C
    (O)=O; CCc1c(nn(c1C2CCN(CC2)C[C@H]3CN(C[
    C@@H]3c4cccc(c4)F)CC5(CCCC5)C(=O)O)CC)CC
    ; CCn1nc(CC)c(CC)c1C2CCN(CC2)C[CH]3CN(C[
    CH]3c4cccc(F)c4)CC5(CCCC5)C(O)=O    		 1-{[(3S,4S)-3-(3-fluorophenyl)-4-{[4-(1,3,4-triethyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl}pyrrolidin-1-yl]methyl}cyclopentane-1-carboxylic acid
    43561 UL1
    CHEMBL255130
    ZINC000001236992    		 2 C12 H11 N O3 S2 InChI=1S/C12H11NO3S2/c1-1
    5-8-4-3-7(5-9(8)16-2)6-10
    -11(14)13-12(17)18-10/h3-
    6H,1-2H3,(H,13,14,17)/b10
    -6-;
    XVAIHVYMCLRIOV-POHAHGRESA-N    		 COc1ccc(cc1OC)C=C2C(=O)NC(=S)S2; COc1ccc
    (cc1OC)/C=C\2/C(=O)NC(=S)S2; COc1ccc(cc1
    OC)\C=C\2SC(=S)NC\2=O; COc1ccc(cc1OC)C=C
    2SC(=S)NC2=O; COc2ccc([C@H]=C1C(=O)NC(=S
    )S1)cc2OC    		 (5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
    43562 UL2
    CHEMBL4869401    		 1 C20 H22 N2 O4 InChI=1S/C20H22N2O4/c1-3-
    6-15(18(23)14-8-5-4-7-12(
    14)2)21-19(24)13-9-10-17-
    16(11-13)22-20(25)26-17/h
    4-5,7-11,15,18,23H,3,6H2,
    1-2H3,(H,21,24)(H,22,25)/
    t15-,18+/m1/s1;
    SNFRXTGIONJORR-QAPCUYQASA-N    		 CCCC(C(c1ccccc1C)O)NC(=O)c2ccc3c(c2)NC(=
    O)O3; CCC[C@H]([C@H](c1ccccc1C)O)NC(=O)c
    2ccc3c(c2)NC(=O)O3; CCC[C@@H](NC(=O)c1cc
    c2OC(=O)Nc2c1)[C@@H](O)c3ccccc3C; CCC[CH
    ](NC(=O)c1ccc2OC(=O)Nc2c1)[CH](O)c3ccccc
    3C    		 N-((1S,2R)-1-hydroxy-1-(o-tolyl)pentan-2-yl)-2-oxo-2,3-dihydrobenzo[d]oxazole-5-carboxamide;
    ~{N}-[(1~{S},2~{R})-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3~{H}-1,3-benzoxazole-5-carboxamide;
    N-[(1S,2R)-1-(2-methylphenyl)-1-oxidanyl-pentan-2-yl]-2-oxidanylidene-3H-1,3-benzoxazole-5-carboxamide
    43563 UL4
    CHEMBL3770150
    ZINC000263620456    		 1 C18 H17 N O5 InChI=1S/C18H17NO5/c1-3-2
    4-16-8-7-12(11(2)20)10-15
    (16)19-17(21)13-5-4-6-14(
    9-13)18(22)23/h4-10H,3H2,
    1-2H3,(H,19,21)(H,22,23);
    GFOBMGVVDGTGAJ-UHFFFAOYSA-N    		 CCOc1ccc(cc1NC(=O)c2cccc(c2)C(=O)O)C(=O)
    C; CCOc1ccc(cc1NC(=O)c2cccc(c2)C(O)=O)C(
    C)=O; O=C(O)c1cccc(c1)C(=O)Nc2cc(ccc2OCC
    )C(=O)C    		 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid
    43564 UL5
    CHEMBL4849578    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    -8-16(12)22-18(23)14-10-1
    5(9-13-6-4-3-5-7-13)21-17
    (11-14)19(24)20-2/h3-7,10
    -12,16H,8-9H2,1-2H3,(H,20
    ,24)(H,22,23)/t12-,16-/m0
    /s1;
    QEPZFLZVHFIDCF-LRDDRELGSA-N    		 CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[C@H]3
    C[C@@H]3C; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(
    c2)C(=O)NC)Cc3ccccc3; CNC(=O)c1cc(cc(Cc2
    ccccc2)n1)C(=O)N[CH]3C[CH]3C; CC1CC1NC(=
    O)c2cc(nc(c2)C(=O)NC)Cc3ccccc3    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide
    43565 UL6 1 C13 H23 N O8 InChI=1S/C13H23NO8/c1-7(1
    6)14-10-12(18)11(17)9(4-1
    5)22-13(10)21-6-8-5-19-2-
    3-20-8/h8-13,15,17-18H,2-
    6H2,1H3,(H,14,16)/t8-,9+,
    10+,11+,12+,13+/m0/s1;
    WYEPHXYJGRPYCT-ZRFFIENRSA-N    		 CC(=O)NC1C(C(C(OC1OCC2COCCO2)CO)O)O; CC(
    =O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC[
    C@@H]2COCCO2)CO)O)O; CC(=O)N[C@@H]1[C@@H
    ](O)[C@H](O)[C@@H](CO)O[C@H]1OC[C@@H]2CO
    CCO2; CC(=O)NC1C(O)C(O)C(CO)OC1OCC1COCCO
    1; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[C
    H]1OC[CH]2COCCO2    		 [(2S)-1,4-dioxan-2-yl]methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
    43566 UL7
    CHEMBL2335188
    ZINC000095591903    		 2 C17 H24 Br Cl N2 O2 InChI=1S/C17H24BrClN2O2/c
    18-16-10-13(19)9-12(17(16
    )23)11-20-5-1-14(2-6-20)2
    1-7-3-15(22)4-8-21/h9-10,
    14-15,22-23H,1-8,11H2;
    UPKDBIXMTVKMCL-UHFFFAOYSA-N    		 c1c(cc(c(c1CN2CCC(CC2)N3CCC(CC3)O)O)Br)C
    l; OC1CCN(CC1)C2CCN(CC2)Cc3cc(Cl)cc(Br)c
    3O    		 1-{1-[(3-bromo-5-chloro-2-hydroxyphenyl)methyl piperidin-4-yl}piperidin-4-ol]
    43567 UL8
    CHEMBL4871396    		 1 C20 H22 N4 O2 InChI=1S/C20H22N4O2/c1-4-
    21-20(25)16-10-11-19(17(1
    2-16)18-13-24(3)23-22-18)
    26-14(2)15-8-6-5-7-9-15/h
    5-14H,4H2,1-3H3,(H,21,25)
    /t14-/m0/s1;
    VZVLEUYPQRNNJB-AWEZNQCLSA-N    		 CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OC(C)c3ccc
    cc3; CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1
    )c3cn(C)nn3; CCNC(=O)c1ccc(O[C@@H](C)c2c
    cccc2)c(c1)c3cn(C)nn3; CCNC(=O)c1ccc(c(c
    1)c2cn(nn2)C)O[C@@H](C)c3ccccc3    		 ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide
    43568 UL9
    CHEMBL233248
    ZINC000001687017    		 4 C4 H5 N S InChI=1S/C4H5NS/c1-2-3-5-
    4-6/h2H,1,3H2;
    ZOJBYZNEUISWFT-UHFFFAOYSA-N    		 C=CCN=C=S; C=CC\N=C=S 3-isothiocyanatoprop-1-ene
    43569 ULA 1 C46 H66 N4 O13 InChI=1S/C46H66N4O13/c1-2
    7(16-17-38(55)30(4)44(62-
    32(6)52)28(2)18-19-50(7)2
    6-51)40(58-9)22-41-31(5)3
    9(57-8)14-11-15-42-47-36(
    24-59-42)45-49-37(25-61-4
    5)46-48-35(23-60-46)29(3)
    20-33(53)12-10-13-34(54)2
    1-43(56)63-41/h11,15,18-1
    9,23-25,27-31,34,39-41,44
    ,51,54H,10,12-14,16-17,20
    -22,26H2,1-9H3/b15-11+,19
    -18?/t27-,28?,29-,30+,31+
    ,34-,39-,40-,41-,44?/m0/s
    1;
    DIOFXPZEAVIPDB-GSMFZUCRSA-N    		 CC1CC(=O)CCCC(CC(=O)OC(C(C(CC=Cc2nc(co2)
    -c3nc(co3)-c4nc1co4)OC)C)CC(C(C)CCC(=O)C
    (C)C(C(C)C=CN(C)CO)OC(=O)C)OC)O; C[C@H]1
    CC(=O)CCC[C@@H](CC(=O)O[C@H]([C@@H]([C@H
    ](C\C=C\c2nc(co2)-c3nc(co3)-c4nc1co4)OC)
    C)C[C@@H]([C@@H](C)CCC(=O)[C@@H](C)[C@H]
    ([C@H](C)C=C[N@](C)CO)OC(=O)C)OC)O; CO[C
    @@H](C[C@@H]1OC(=O)C[C@@H](O)CCCC(=O)C[C
    @H](C)c2coc(n2)c3coc(n3)c4coc(\C=C\C[C@H
    ](OC)[C@H]1C)n4)[C@@H](C)CCC(=O)[C@@H](C
    )C(OC(C)=O)C(C)C=CN(C)CO; O=C(OC(C(/C=C\
    N(C)CO)C)C(C(=O)CCC(C)C(OC)CC4OC(=O)CC(O
    )CCCC(=O)CC(c1nc(oc1)c2nc(oc2)c3nc(oc3)C
    =CCC(OC)C4C)C)C)C; CO[CH](C[CH]1OC(=O)C[
    CH](O)CCCC(=O)C[CH](C)c2coc(n2)c3coc(n3)
    c4coc(C=CC[CH](OC)[CH]1C)n4)[CH](C)CCC(=
    O)[CH](C)C(OC(C)=O)C(C)C=CN(C)CO    		 ULAPUALIDE A
    43570 ULB
    CHEMBL4851810    		 1 C16 H15 N3 O InChI=1S/C16H15N3O/c1-12-
    17-16(19-18-12)14-9-5-6-1
    0-15(14)20-11-13-7-3-2-4-
    8-13/h2-10H,11H2,1H3,(H,1
    7,18,19);
    NPTNHLPXAAOUPO-UHFFFAOYSA-N    		 Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole
    43571 ULC
    CHEMBL1591365
    DB19985
    ZINC000000013936    		 1 C18 H20 N2 O2 S InChI=1S/C18H20N2O2S/c1-2
    0(16-8-5-9-17(19-16)21-2)
    18(23)22-15-11-10-13-6-3-
    4-7-14(13)12-15/h5,8-12H,
    3-4,6-7H2,1-2H3;
    VPHPQNGOVQYUMG-UHFFFAOYSA-N    		 CN(c1cccc(n1)OC)C(=S)Oc2ccc3c(c2)CCCC3;
    COc1cccc(n1)N(C)C(=S)Oc2ccc3CCCCc3c2    		 ~{O}-(5,6,7,8-tetrahydronaphthalen-2-yl) ~{N}-(6-methoxypyridin-2-yl)-~{N}-methyl-carbamothioate
    43572 ULD 1 C15 H12 F5 N O4 S InChI=1S/C15H12F5NO4S/c16
    -14(17)5-9-10(25-8-3-7(4-
    8)6-21)1-2-11(12(9)13(14)
    22)26(23,24)15(18,19)20/h
    1-2,7-8,13,22H,3-5H2/t7-,
    8+,13-/m0/s1;
    CWCXJGVIPMKNIF-DAROEXNTSA-N    		 N#CC1CC(C1)Oc2ccc(c3c2CC(F)(F)C3O)S(=O)(
    =O)C(F)(F)F; c1cc(c2c(c1OC3CC(C3)C#N)CC(
    C2O)(F)F)S(=O)(=O)C(F)(F)F; c1cc(c2c(c1O
    C3CC(C3)C#N)CC([C@H]2O)(F)F)S(=O)(=O)C(F
    )(F)F; O[CH]1c2c(CC1(F)F)c(O[CH]3C[CH](C
    3)C#N)ccc2[S](=O)(=O)C(F)(F)F; O[C@H]1c2
    c(CC1(F)F)c(O[C@H]3C[C@H](C3)C#N)ccc2[S]
    (=O)(=O)C(F)(F)F    		 cis-3-({(1S)-7-[dihydroxy(trifluoromethyl)-lambda~4~-sulfanyl]-2,2-difluoro-1-hydroxy-2,3-dihydro-1H-inden-4-yl}oxy)cyclobutane-1-carbonitrile
    43573 ULE
    CHEMBL4860220    		 1 C19 H21 N3 O2 InChI=1S/C19H21N3O2/c1-12
    (13-6-4-3-5-7-13)16-10-14
    (18(23)21-15-8-9-15)11-17
    (22-16)19(24)20-2/h3-7,10
    -12,15H,8-9H2,1-2H3,(H,20
    ,24)(H,21,23)/t12-/m0/s1;
    VGUKTEKHFHLCSV-LBPRGKRZSA-N    		 C[C@@H](c1ccccc1)c2cc(cc(n2)C(=O)NC)C(=O
    )NC3CC3; CNC(=O)c1cc(cc(n1)[C@@H](C)c2cc
    ccc2)C(=O)NC3CC3; CNC(=O)c1cc(cc(n1)[CH]
    (C)c2ccccc2)C(=O)NC3CC3; CC(c1ccccc1)c2c
    c(cc(n2)C(=O)NC)C(=O)NC3CC3    		 ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    43574 ULF
    ZINC000098209496    		 0 C11 H14 F N2 O8 P InChI=1S/C11H14FN2O8P/c12
    -5-3-11(4-21-23(18,19)20)
    8(16)7(5)9(22-11)14-2-1-6
    (15)13-10(14)17/h1-2,5,7-
    9,16H,3-4H2,(H,13,15,17)(
    H2,18,19,20)/t5-,7-,8+,9-
    ,11-/m1/s1;
    INQRQYVGAIORTC-QVPLNXPXSA-N    		 C1C(C2C(C1(OC2N3C=CC(=O)NC3=O)COP(=O)(O)
    O)O)F; O[C@H]1[C@H]2[C@H](F)C[C@]1(CO[P]
    (O)(O)=O)O[C@H]2N3C=CC(=O)NC3=O; C1[C@H]
    ([C@@H]2[C@@H]([C@]1(O[C@H]2N3C=CC(=O)NC
    3=O)COP(=O)(O)O)O)F; O=P(O)(O)OCC23OC(N1
    C(=O)NC(=O)C=C1)C(C(F)C2)C3O; O[CH]1[CH]
    2[CH](F)C[C]1(CO[P](O)(O)=O)O[CH]2N3C=CC
    (=O)NC3=O    		 [(1R,3R,4R,5R,7S)-3-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-5-fluoro-7-hydroxy-2-oxabicyclo[2.2.1]hept-1-yl]methyl dihydrogen phosphate
    43575 ULG
    CHEMBL5896692    		 1 C16 H11 F5 O2 InChI=1S/C16H11F5O2/c17-8
    -5-9(18)7-10(6-8)23-14-4-
    2-12(16(19,20)21)15-11(14
    )1-3-13(15)22/h2,4-7,13,2
    2H,1,3H2/t13-/m1/s1;
    WYQNGHURDXWRST-CYBMUJFWSA-N    		 O[CH]1CCc2c(Oc3cc(F)cc(F)c3)ccc(c12)C(F)
    (F)F; c1cc(c2c(c1C(F)(F)F)[C@@H](CC2)O)O
    c3cc(cc(c3)F)F; O[C@@H]1CCc2c(Oc3cc(F)cc
    (F)c3)ccc(c12)C(F)(F)F; FC(F)(F)c1ccc(c2
    c1C(O)CC2)Oc3cc(F)cc(c3)F; c1cc(c2c(c1C(
    F)(F)F)C(CC2)O)Oc3cc(cc(c3)F)F    		 (1R)-4-(3,5-difluorophenoxy)-7-(trifluoromethyl)-2,3-dihydro-1H-inden-1-ol
    43576 ULH
    CHEMBL4644310    		 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-12
    (13-6-4-3-5-7-13)22-11-14
    (17(23)21-15-8-9-15)10-16
    (19(22)25)18(24)20-2/h3-7
    ,10-12,15H,8-9H2,1-2H3,(H
    ,20,24)(H,21,23)/t12-/m1/
    s1;
    AYQUCQJYWKQBRS-GFCCVEGCSA-N    		 C[C@H](c1ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C
    (=O)NC3CC3; CNC(=O)C1=CC(=CN([CH](C)c2cc
    ccc2)C1=O)C(=O)NC3CC3; CNC(=O)C1=CC(=CN(
    [C@H](C)c2ccccc2)C1=O)C(=O)NC3CC3; CC(c1
    ccccc1)N2C=C(C=C(C2=O)C(=O)NC)C(=O)NC3CC
    3    		 ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide
    43577 ULI
    ZINC000006921185    		 0 C40 H82 InChI=1S/C40H82/c1-3-5-7-
    9-11-13-15-17-19-21-23-25
    -27-29-31-33-35-37-39-40-
    38-36-34-32-30-28-26-24-2
    2-20-18-16-14-12-10-8-6-4
    -2/h3-40H2,1-2H3;
    KUPLEGDPSCCPJI-UHFFFAOYSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
    ; C(CCCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCC
    CCCC    		 tetracontane;
    n-Tetracontane
    43578 ULJ
    CHEMBL1610544
    ZINC000002689543    		 8 C18 H17 Br F N5 O3 InChI=1S/C18H17BrFN5O3/c1
    -27-12-5-6-15(28-2)14(8-1
    2)22-18(26)16-17(21)25(24
    -23-16)9-10-3-4-11(19)7-1
    3(10)20/h3-8H,9,21H2,1-2H
    3,(H,22,26);
    RAVNFJBKYUTEIC-UHFFFAOYSA-N    		 COc1ccc(OC)c(NC(=O)c2nnn(Cc3ccc(Br)cc3F)
    c2N)c1; COc1ccc(c(c1)NC(=O)c2c(n(nn2)Cc3
    ccc(cc3F)Br)N)OC; COc3ccc(OC)c(NC(=O)c2c
    (N)n(Cc1c(F)cc(cc1)Br)nn2)c3    		 5-amino-1-[(4-bromo-2-fluorophenyl)methyl]-N-(2,5-dimethoxyphenyl)-1H-1,2,3-triazole-4-carboxamide
    43579 ULK 1 C19 H21 N3 O3 InChI=1S/C19H21N3O3/c1-11
    -8-14(11)22-18(24)13-9-15
    (21-16(10-13)19(25)20-2)1
    7(23)12-6-4-3-5-7-12/h3-7
    ,9-11,14,17,23H,8H2,1-2H3
    ,(H,20,25)(H,22,24)/t11-,
    14-,17-/m0/s1;
    OJSKWCXPUVTNCF-YLVFBTJISA-N    		 CC1CC1NC(=O)c2cc(nc(c2)C(=O)NC)C(c3ccccc
    3)O; C[C@H]1C[C@@H]1NC(=O)c2cc(nc(c2)C(=
    O)NC)[C@H](c3ccccc3)O; CNC(=O)c1cc(cc(n1
    )[CH](O)c2ccccc2)C(=O)N[CH]3C[CH]3C; CNC
    (=O)c1cc(cc(n1)[C@@H](O)c2ccccc2)C(=O)N[
    C@H]3C[C@@H]3C    		 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide
    43580 ULL 1 C26 H24 Br N3 O3 InChI=1S/C26H24BrN3O3/c1-
    17(2)33-26(32)28-22-14-10
    -18(11-15-22)23-16-24(19-
    6-4-3-5-7-19)30(29-23)25(
    31)20-8-12-21(27)13-9-20/
    h3-15,17,24H,16H2,1-2H3,(
    H,28,32)/t24-/m0/s1;
    RWCWONWFSWXBCW-DEOSSOPVSA-N    		 CC(C)OC(=O)Nc1ccc(cc1)C2=NN([CH](C2)c3cc
    ccc3)C(=O)c4ccc(Br)cc4; CC(C)OC(=O)Nc1cc
    c(cc1)C2=NN(C(C2)c3ccccc3)C(=O)c4ccc(cc4
    )Br; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C@@H](
    C2)c3ccccc3)C(=O)c4ccc(Br)cc4; O=C(c1ccc
    (Br)cc1)N1N=C(CC1c1ccccc1)c1ccc(NC(=O)OC
    (C)C)cc1; CC(C)OC(=O)Nc1ccc(cc1)C2=NN([C
    @@H](C2)c3ccccc3)C(=O)c4ccc(cc4)Br    		 propan-2-yl {4-[(5S)-1-(4-bromobenzoyl)-5-phenyl-4,5-dihydro-1H-pyrazol-3-yl]phenyl}carbamate
    43581 ULM 1 C13 H11 F6 N O2 InChI=1S/C13H11F6NO2/c14-
    7-1-6-8(22-5-2-12(15,16)3
    -5)4-20-11(13(17,18)19)9(
    6)10(7)21/h4-5,7,10,21H,1
    -3H2/t7-,10-/m1/s1;
    PUEJLMQBKXIGPV-GMSGAONNSA-N    		 O[C@@H]1[C@H](F)Cc2c(OC3CC(F)(F)C3)cnc(c
    12)C(F)(F)F; c1(cnc(c2c1CC(C2O)F)C(F)(F)
    F)OC3CC(C3)(F)F; O[CH]1[CH](F)Cc2c(OC3CC
    (F)(F)C3)cnc(c12)C(F)(F)F; c1c(c2c(c(n1)
    C(F)(F)F)C(C(C2)F)O)OC3CC(C3)(F)F; c1c(c
    2c(c(n1)C(F)(F)F)[C@@H]([C@@H](C2)F)O)OC
    3CC(C3)(F)F    		 (6R,7S)-4-[(3,3-difluorocyclobutyl)oxy]-6-fluoro-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-7-ol
    43582 ULN
    CHEMBL4873182    		 1 C21 H23 N3 O3 InChI=1S/C21H23N3O3/c1-12
    (13-6-4-3-5-7-13)17-8-14(
    9-18(23-17)21(26)22-2)20(
    25)24-19-15-10-27-11-16(1
    5)19/h3-9,12,15-16,19H,10
    -11H2,1-2H3,(H,22,26)(H,2
    4,25)/t12-,15-,16+,19+/m0
    /s1;
    VTIIKJCRYRUFLT-NALNUFGESA-N    		 CNC(=O)c1cc(cc(n1)[C@@H](C)c2ccccc2)C(=O
    )NC3[C@@H]4COC[C@H]34; C[C@@H](c1ccccc1)
    c2cc(cc(n2)C(=O)NC)C(=O)NC3[C@H]4[C@@H]3
    COC4; CNC(=O)c1cc(cc(n1)[CH](C)c2ccccc2)
    C(=O)NC3[CH]4COC[CH]34; CC(c1ccccc1)c2cc
    (cc(n2)C(=O)NC)C(=O)NC3C4C3COC4    		 ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide
    43583 ULO
    CHEMBL6053539    		 12 C15 H33 O P InChI=1S/C15H33OP/c1-6-7-
    8-9-10-11-12-13-17(16,14(
    2)3)15(4)5/h14-15H,6-13H2
    ,1-5H3;
    DHOTYMJGZIUWRT-UHFFFAOYSA-N    		 CCCCCCCCC[P](=O)(C(C)C)C(C)C; CCCCCCCCCP
    (=O)(C(C)C)C(C)C; O=P(CCCCCCCCC)(C(C)C)C
    (C)C    		 nonyl(oxo)di(propan-2-yl)-lambda~5~-phosphane
    43584 ULP
    ZINC000263620549    		 2 C25 H34 N5 O22 P3 InChI=1S/C25H34N5O22P3/c1
    -9-17(33)12(11(5-26-9)7-4
    7-53(40,41)42)6-27-15-16(
    28-10(2)31)24(50-21(19(15
    )35)23(37)38)51-55(45,46)
    52-54(43,44)48-8-13-18(34
    )20(36)22(49-13)30-4-3-14
    (32)29-25(30)39/h3-6,13,1
    5-16,18-22,24,33-36H,7-8H
    2,1-2H3,(H,28,31)(H,37,38
    )(H,43,44)(H,45,46)(H,29,
    32,39)(H2,40,41,42)/b27-6
    +/t13-,15-,16-,18-,19+,20
    -,21+,22-,24-/m1/s1;
    IGKBPIFLZAFLLV-IOECPDIJSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NC2C(C(OC(C2O
    )C(=O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N
    4C=CC(=O)NC4=O)O)O)NC(=O)C)O; O=C1C=CN(C
    (=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC
    (C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)
    (O)O)C4NC(=O)C)O)O; Cc1c(c(c(cn1)COP(=O)
    (O)O)/C=N/[C@@H]2[C@H]([C@H](O[C@@H]([C@
    H]2O)C(=O)O)O[P@@](=O)(O)O[P@@](=O)(O)OC
    [C@@H]3[C@H]([C@H]([C@@H](O3)N4C=CC(=O)N
    C4=O)O)O)NC(=O)C)O; CC(=O)N[CH]1[CH](O[C
    H]([CH](O)[CH]1N=Cc2c(O)c(C)ncc2CO[P](O)
    (O)=O)C(O)=O)O[P](O)(=O)O[P](O)(=O)OC[CH
    ]3O[CH]([CH](O)[CH]3O)N4C=CC(=O)NC4=O; C
    C(=O)N[C@H]1[C@H](O[C@@H]([C@@H](O)[C@@H
    ]1N=Cc2c(O)c(C)ncc2CO[P](O)(O)=O)C(O)=O)
    O[P](O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@
    H](O)[C@@H]3O)N4C=CC(=O)NC4=O    		 (2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(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}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
    43585 ULQ 1 C21 H23 N3 O4 InChI=1S/C21H23N3O4/c1-22
    -21(26)17-9-13(20(25)24-1
    8-14-10-28-11-15(14)18)8-
    16(23-17)19(27-2)12-6-4-3
    -5-7-12/h3-9,14-15,18-19H
    ,10-11H2,1-2H3,(H,22,26)(
    H,24,25)/t14-,15+,18+,19-
    /m0/s1;
    XRABYUHHDSKQAA-SFUIVIKGSA-N    		 CNC(=O)c1cc(cc(n1)[CH](OC)c2ccccc2)C(=O)
    NC3[CH]4COC[CH]34; CNC(=O)c1cc(cc(n1)C(c
    2ccccc2)OC)C(=O)NC3C4C3COC4; CNC(=O)c1cc
    (cc(n1)[C@@H](OC)c2ccccc2)C(=O)NC3[C@H]4
    COC[C@@H]34; CNC(=O)c1cc(cc(n1)[C@H](c2c
    cccc2)OC)C(=O)NC3[C@H]4[C@@H]3COC4    		 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide
    43586 ULR
    CHEMBL4075534    		 0 C20 H23 F N6 O InChI=1S/C20H23FN6O/c1-3-
    14-11-26(7-6-22-14)15-4-5
    -16(17(21)8-15)20(28)25-1
    8-12-27-10-13(2)24-19(27)
    9-23-18/h4-5,8-10,12,14,2
    2H,3,6-7,11H2,1-2H3,(H,25
    ,28)/t14-/m0/s1;
    FWJHZBXJJJTEFO-AWEZNQCLSA-N    		 CC[CH]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4c
    c(C)nc4cn3; CC[C@H]1CN(CCN1)c2ccc(c(c2)F
    )C(=O)Nc3cn4cc(nc4cn3)C; CCC1CN(CCN1)c2c
    cc(c(c2)F)C(=O)Nc3cn4cc(nc4cn3)C; CC[C@H
    ]1CN(CCN1)c2ccc(c(F)c2)C(=O)Nc3cn4cc(C)n
    c4cn3    		 4-[(3~{S})-3-ethylpiperazin-1-yl]-2-fluoranyl-~{N}-(2-methylimidazo[1,2-a]pyrazin-6-yl)benzamide;
    SMN-CY
    43587 ULS 1 C16 H10 F4 N2 O2 InChI=1S/C16H10F4N2O2/c17
    -9-3-8(6-21)4-10(5-9)24-1
    3-7-22-15(16(18,19)20)14-
    11(13)1-2-12(14)23/h3-5,7
    ,12,23H,1-2H2/t12-/m1/s1;
    QJVMUDSPENWIOV-GFCCVEGCSA-N    		 c1c(cc(cc1Oc2cnc(c3c2CCC3O)C(F)(F)F)F)C#
    N; c1c(cc(cc1Oc2cnc(c3c2CC[C@H]3O)C(F)(F
    )F)F)C#N; O[C@@H]1CCc2c(Oc3cc(F)cc(c3)C#
    N)cnc(c12)C(F)(F)F; N#Cc1cc(cc(c1)Oc2cnc
    (c3c2CCC3O)C(F)(F)F)F; O[CH]1CCc2c(Oc3cc
    (F)cc(c3)C#N)cnc(c12)C(F)(F)F    		 3-fluoro-5-{[(7R)-7-hydroxy-1-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl]oxy}benzonitrile
    43588 ULT
    CHEMBL5197292    		 1 C22 H14 Cl F3 N2 O4 InChI=1S/C22H14ClF3N2O4/c
    23-17-3-1-2-16(22(24,25)2
    6)18(17)19-15(20(32-28-19
    )13-8-9-27-10-13)11-31-14
    -6-4-12(5-7-14)21(29)30/h
    1-10,27H,11H2,(H,29,30);
    NZRBQNXUTCVFCO-UHFFFAOYSA-N    		 c1cc(c(c(c1)Cl)c2c(c(on2)c3cc[nH]c3)COc4
    ccc(cc4)C(=O)O)C(F)(F)F; OC(=O)c1ccc(OCc
    2c(onc2c3c(Cl)cccc3C(F)(F)F)c4c[nH]cc4)c
    c1    		 4-[[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methoxy]benzoic acid;
    FM156
    43589 ULU 1 C29 H38 N15 O8 InChI=1S/C29H38N15O8/c30-
    24-18-26(36-11-34-24)43(1
    3-38-18)28-22(49)20(47)14
    (51-28)9-42(8-2-5-33-17(4
    6)4-6-39-41-32)7-1-3-16-4
    0-19-25(31)35-12-37-27(19
    )44(16)29-23(50)21(48)15(
    10-45)52-29/h11-15,20-23,
    28-29,32,45,47-50H,2,4-10
    H2,(H,33,46)(H2,30,34,36)
    (H2,31,35,37)/t14-,15+,20
    +,21+,22+,23+,28-,29-/m0/
    s1;
    AQRCSRFKUBGJHG-CGQYPDDYSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CN(CCCNC(=O)C
    CN=[N]=N)CC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](
    CO)[CH](O)[CH]6O)[CH](O)[CH]3O; c1nc(c2c
    (n1)n(cn2)C3C(C(C(O3)CN(CCCNC(=O)CCN=[N]
    =N)CC#Cc4nc5c(ncnc5n4C6C(C(C(O6)CO)O)O)N
    )O)O)N; Nc1ncnc2n(cnc12)[C@H]3O[C@@H](CN
    (CCCNC(=O)CCN=[N]=N)CC#Cc4nc5c(N)ncnc5n4
    [C@H]6O[C@@H](CO)[C@@H](O)[C@H]6O)[C@@H]
    (O)[C@H]3O; c1nc(c2c(n1)n(cn2)[C@H]3[C@@
    H]([C@@H]([C@H](O3)CN(CCCNC(=O)CCN=[N]=N
    )CC#Cc4nc5c(ncnc5n4[C@H]6[C@@H]([C@@H]([
    C@H](O6)CO)O)O)N)O)O)N    		 ~{N}-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]propyl]-3-[(azanylidene-$l^{4}-azanylidene)amino]propanamide
    43590 ULV
    CHEMBL4749037    		 1 C26 H22 F3 N7 O3 InChI=1S/C26H22F3N7O3/c27
    -26(28,29)17-7-8-31-19(11
    -17)33-24(37)15-3-1-14(2-
    4-15)20-21-22(30)32-9-10-
    35(21)23(34-20)16-5-6-18-
    13-39-25(38)36(18)12-16/h
    1-4,7-11,16,18H,5-6,12-13
    H2,(H2,30,32)(H,31,33,37)
    /t16-,18+/m1/s1;
    CDISOBGWDHAHGF-AEFFLSMTSA-N    		 Nc1nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C
    (F)(F)F)c12)[CH]5CC[CH]6COC(=O)N6C5; Nc1
    nccn2c(nc(c3ccc(cc3)C(=O)Nc4cc(ccn4)C(F)
    (F)F)c12)[C@@H]5CC[C@H]6COC(=O)N6C5; c1c
    c(ccc1c2c3c(nccn3c(n2)[C@@H]4CC[C@H]5COC
    (=O)N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1c
    (c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(
    C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N; c1cc(ccc
    1c2c3c(nccn3c(n2)C4CCC5COC(=O)N5C4)N)C(=
    O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    43591 ULW 1 C22 H35 N O4 InChI=1S/C22H35NO4/c1-17(
    2)7-5-8-18(3)9-6-10-19(4)
    14-16-27-22(26)13-15-23-2
    0(24)11-12-21(23)25/h9,14
    ,17H,5-8,10-13,15-16H2,1-
    4H3/b18-9-,19-14-;
    UEVQPHSWLLGCMH-WALGPUPZSA-N    		 CC(C)CCC/C(=C\CC/C(=C\COC(=O)CCN1C(=O)CC
    C1=O)/C)/C; CC(C)CCCC(C)=CCCC(C)=CCOC(=O
    )CCN1C(=O)CCC1=O; CC(C)CCCC(=CCCC(=CCOC(
    =O)CCN1C(=O)CCC1=O)C)C; CC(C)CCCC(\C)=C/
    CCC(/C)=C\COC(=O)CCN1C(=O)CCC1=O    		 [(2~{Z},6~{Z})-3,7,11-trimethyldodeca-2,6-dienyl] 3-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]propanoate
    43592 ULX 1 C29 H31 F3 N4 O3 InChI=1S/C29H31F3N4O3/c30
    -29(31,32)23-8-5-20(6-9-2
    3)14-28(18-34-26-10-7-21(
    17-37)13-27(26)36(38)39)1
    1-12-35(19-28)16-22-15-33
    -25-4-2-1-3-24(22)25/h1-1
    0,13,15,33-34,37-39H,11-1
    2,14,16-19H2/t28-/m0/s1;
    IYYLJCBCDAMUPF-NDEPHWFRSA-N    		 c1ccc2c(c1)c(c[nH]2)CN3CC[C@](C3)(Cc4ccc
    (cc4)C(F)(F)F)CNc5ccc(cc5N(O)O)CO; FC(F)
    (F)c1ccc(cc1)CC1(CCN(Cc2c[NH]c3ccccc23)C
    1)CNc1ccc(CO)cc1N(O)O; c1ccc2c(c1)c(c[nH
    ]2)CN3CCC(C3)(Cc4ccc(cc4)C(F)(F)F)CNc5cc
    c(cc5N(O)O)CO; OCc1ccc(NC[C]2(CCN(Cc3c[n
    H]c4ccccc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)
    N(O)O; OCc1ccc(NC[C@]2(CCN(Cc3c[nH]c4ccc
    cc34)C2)Cc5ccc(cc5)C(F)(F)F)c(c1)N(O)O    		 [4-({[(3R)-1-[(1H-indol-3-yl)methyl]-3-{[4-(trifluoromethyl)phenyl]methyl}pyrrolidin-3-yl]methyl}amino)-3-nitrophenyl]methanol
    43593 ULY
    CHEMBL4114929    		 2 C28 H26 F3 N7 O3 InChI=1S/C28H26F3N7O3/c1-
    41-20-12-15(27(40)35-21-1
    3-17(8-9-33-21)28(29,30)3
    1)3-6-19(20)23-24-25(32)3
    4-10-11-37(24)26(36-23)16
    -2-4-18-5-7-22(39)38(18)1
    4-16/h3,6,8-13,16,18H,2,4
    -5,7,14H2,1H3,(H2,32,34)(
    H,33,35,40)/t16-,18+/m1/s
    1;
    OMIQRSKHABIPRH-AEFFLSMTSA-N    		 COc1cc(ccc1c2c3c(nccn3c(n2)C4CCC5CCC(=O)
    N5C4)N)C(=O)Nc6cc(ccn6)C(F)(F)F; n1ccn2c
    (c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)
    C(Nc6nccc(c6)C(F)(F)F)=O; COc1cc(ccc1c2c
    3c(nccn3c(n2)[C@@H]4CC[C@H]5CCC(=O)N5C4)
    N)C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c
    2nc([CH]3CC[CH]4CCC(=O)N4C3)n5ccnc(N)c25
    )C(=O)Nc6cc(ccn6)C(F)(F)F; COc1cc(ccc1c2
    nc([C@@H]3CC[C@H]4CCC(=O)N4C3)n5ccnc(N)c
    25)C(=O)Nc6cc(ccn6)C(F)(F)F    		 4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    43594 ULZ
    CHEMBL5209191    		 1 C18 H19 Br N4 O InChI=1S/C18H19BrN4O/c19-
    14-2-4-17-16(11-14)13(12-
    21-17)1-3-15-5-6-20-18(22
    -15)23-7-9-24-10-8-23/h2,
    4-6,11-12,21H,1,3,7-10H2;
    LPEIQZYVQYBIQO-UHFFFAOYSA-N    		 c1cc2c(cc1Br)c(c[nH]2)CCc3ccnc(n3)N4CCOC
    C4; Brc1ccc2[nH]cc(CCc3ccnc(n3)N4CCOCC4)
    c2c1    		 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine
    43595 UM0
    ZINC000013545200    		 0 C14 H24 N2 O9 InChI=1S/C14H24N2O9/c1-5(
    13(21)22)15-12(20)6(2)24-
    11-9(16-7(3)18)14(23)25-8
    (4-17)10(11)19/h5-6,8-11,
    14,17,19,23H,4H2,1-3H3,(H
    ,15,20)(H,16,18)(H,21,22)
    /t5-,6+,8+,9+,10+,11+,14-
    /m0/s1;
    ICMUIFDBEVJCQA-GFBFODDVSA-N    		 C[C@@H](C(=O)O)NC(=O)[C@@H](C)O[C@@H]1[C
    @H]([C@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C;
    C[CH](NC(=O)[CH](C)O[CH]1[CH](O)[CH](CO)
    O[CH](O)[CH]1NC(C)=O)C(O)=O; O=C(O)C(NC(
    =O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C)C; CC(
    C(=O)O)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=
    O)C; C[C@H](NC(=O)[C@@H](C)O[C@H]1[C@H](
    O)[C@@H](CO)O[C@H](O)[C@@H]1NC(C)=O)C(O)
    =O    		 (2S)-2-[[(2R)-2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoyl]amino]propanoic acid
    43596 UM1 0 C8 H15 N3 O4 InChI=1S/C8H15N3O4/c1-4(1
    0-6(12)3-9)7(13)11-5(2)8(
    14)15/h4-5H,3,9H2,1-2H3,(
    H,10,12)(H,11,13)(H,14,15
    )/t4-,5-/m1/s1;
    PYTZFYUXZZHOAD-RFZPGFLSSA-N    		 C[C@@H](NC(=O)[C@@H](C)NC(=O)CN)C(O)=O;
    O=C(NC(C(=O)O)C)C(NC(=O)CN)C; C[CH](NC(=
    O)[CH](C)NC(=O)CN)C(O)=O; C[C@H](C(=O)N[
    C@H](C)C(=O)O)NC(=O)CN; CC(C(=O)NC(C)C(=
    O)O)NC(=O)CN    		 (2R)-2-[[(2R)-2-(2-aminoethanoylamino)propanoyl]amino]propanoic acid;
    glycyl-D-alanyl-D-alanine
    43597 UM2
    ZINC000011957321    		 2 C7 H16 N2 O InChI=1S/C7H16N2O/c1-3-4-
    5-9-7(10)6(2)8/h6H,3-5,8H
    2,1-2H3,(H,9,10)/t6-/m0/s
    1;
    XXYQJGUBGFEJMV-LURJTMIESA-N    		 CCCCNC(=O)C(C)N; CCCCNC(=O)[CH](C)N; O=C
    (NCCCC)C(N)C; CCCCNC(=O)[C@H](C)N    		 (2S)-2-amino-N-butyl-propanamide;
    N-butyl-L-alaninamide
    43598 UM3
    DB03448
    ZINC000006524812    		 6 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-4
    -6-5(19-20(15,16)17)3-8(1
    8-6)11-2-1-7(13)10-9(11)1
    4/h1-2,5-6,8,12H,3-4H2,(H
    ,10,13,14)(H2,15,16,17)/t
    5-,6+,8+/m0/s1;
    LXKGKXYIAAKOCT-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)CO)OP(=O)(O)O;
    C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO
    )OP(=O)(O)O; OC[CH]1O[CH](C[CH]1O[P](O)(
    O)=O)N2C=CC(=O)NC2=O; OC[C@H]1O[C@H](C[C
    @@H]1O[P](O)(O)=O)N2C=CC(=O)NC2=O; O=C1N
    C(=O)N(C=C1)C2OC(C(OP(=O)(O)O)C2)CO    		 2'-DEOXYURIDINE 3'-MONOPHOSPHATE
    43599 UM4
    CHEMBL4107779    		 2 C30 H28 F3 N7 O3 InChI=1S/C30H28F3N7O3/c31
    -30(32,33)18-9-10-35-23(1
    4-18)37-29(42)16-2-7-21(2
    2(13-16)43-20-5-6-20)25-2
    6-27(34)36-11-12-39(26)28
    (38-25)17-1-3-19-4-8-24(4
    1)40(19)15-17/h2,7,9-14,1
    7,19-20H,1,3-6,8,15H2,(H2
    ,34,36)(H,35,37,42)/t17-,
    19+/m1/s1;
    WMMNTQFZCHUZSM-MJGOQNOKSA-N    		 Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)Nc5cc(
    ccn5)C(F)(F)F)c12)[C@@H]6CC[C@H]7CCC(=O)
    N7C6; n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)
    =O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7
    CC7)N; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(F)
    F)OC3CC3)c4c5c(nccn5c(n4)C6CCC7CCC(=O)N7
    C6)N; Nc1nccn2c(nc(c3ccc(cc3OC4CC4)C(=O)
    Nc5cc(ccn5)C(F)(F)F)c12)[CH]6CC[CH]7CCC(
    =O)N7C6; c1cc(c(cc1C(=O)Nc2cc(ccn2)C(F)(
    F)F)OC3CC3)c4c5c(nccn5c(n4)[C@@H]6CC[C@H
    ]7CCC(=O)N7C6)N    		 4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
    43600 UM5
    CHEMBL4853894    		 1 C18 H19 N5 O2 InChI=1S/C18H19N5O2/c1-3-
    19-18(24)13-7-8-17(25-12-
    14-6-4-5-9-20-14)15(10-13
    )16-11-23(2)22-21-16/h4-1
    1H,3,12H2,1-2H3,(H,19,24);
    PXCVJESJJFPBNT-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3
    ; CCNC(=O)c1ccc(c(c1)c2cn(nn2)C)OCc3cccc
    n3    		 N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide;
    ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).