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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    38401
    UE0    		 1 C15 H19 N O3 InChI=1S/C15H19NO3/c1-11-
    4-6-13(7-5-11)15(14(18)19
    )8-3-9-16(10-15)12(2)17/h
    4-7H,3,8-10H2,1-2H3,(H,18
    ,19)/t15-/m1/s1;
    FZGIXDHLUQHJKF-OAHLLOKOSA-N    		 CC(=O)N1CCC[C@](C1)(C(O)=O)c2ccc(C)cc2;
    Cc1ccc(cc1)[C@]2(CCCN(C2)C(=O)C)C(=O)O;
    CC(=O)N1CCC[C](C1)(C(O)=O)c2ccc(C)cc2; C
    c1ccc(cc1)C2(CCCN(C2)C(=O)C)C(=O)O    		 (3~{S})-1-ethanoyl-3-(4-methylphenyl)piperidine-3-carboxylic acid
    38402
    UE1    		 3 C23 H27 N10 O13 S2 InChI=1S/C23H28N10O13S2/c
    1-23(2,19(40)41)46-30-16(
    13-9-47-20(24)28-13)18(39
    )27-10(7-34)4-26-21(42)31
    -48(44,45)33-22(43)32(6-1
    1(36)8-35)17(29-33)12-3-1
    4(37)15(38)5-25-12/h3,5,7
    ,9-11,35-36,38H,4,6,8H2,1
    -2H3,(H2,24,28)(H,25,37)(
    H,27,39)(H,40,41)(H2,26,3
    1,42)/p-1/b30-16-/t10-,11
    +/m0/s1;
    CVHWOSQJHWFYSJ-DXKYJFGHSA-M    		 CC(C)(C(=O)[O-])ON=C(c1csc(n1)N)C(=O)NC(
    CNC(=O)NS(=O)(=O)N2C(=O)N(C(=N2)c3cc(c(c
    n3)O)O)CC(CO)O)C=O; CC(C)(ON=C(C(=O)N[CH
    ](CNC(=O)N[S](=O)(=O)N1N=C(N(C[CH](O)CO)
    C1=O)c2cc(O)c(O)cn2)C=O)c3csc(N)n3)C([O-
    ])=O; CC(C)(C(=O)[O-])O/N=C(/c1csc(n1)N)
    \C(=O)N[C@@H](CNC(=O)NS(=O)(=O)N2C(=O)N(
    C(=N2)c3cc(c(cn3)O)O)C[C@H](CO)O)C=O; CC
    (C)(O\N=C(/C(=O)N[C@@H](CNC(=O)N[S](=O)(
    =O)N1N=C(N(C[C@@H](O)CO)C1=O)c2cc(O)c(O)
    cn2)C=O)c3csc(N)n3)C([O-])=O; O=C1N(C(=N
    N1S(=O)(=O)NC(=O)NCC(C=O)NC(=O)C(=N\OC(C
    ([O-])=O)(C)C)/c2nc(sc2)N)c3ncc(O)c(O)c3
    )CC(O)CO    		 (4S,7Z)-7-(2-amino-1,3-thiazol-4-yl)-1-[({4-[(2R)-2,3-dihydroxypropyl]-3-(4,5-dihydroxypyridin-2-yl)-5-oxo-4,5-dihydro- 1H-1,2,4-triazol-1-yl}sulfonyl)amino]-4-formyl-10,10-dimethyl-1,6-dioxo-9-oxa-2,5,8-triazaundec-7-en-11-oate;
    MC-1 (open form)
    38403
    UE2    		 1 C26 H38 N6 O2 InChI=1S/C26H38N6O2/c1-25
    (2)10-13-31(14-11-25)16-2
    0-5-7-21(8-6-20)24(33)28-
    17-26(34)9-4-12-32(18-26)
    23-15-22(27-3)29-19-30-23
    /h5-8,15,19,34H,4,9-14,16
    -18H2,1-3H3,(H,28,33)(H,2
    7,29,30)/t26-/m1/s1;
    IIFMUBYLGZFTQM-AREMUKBSSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3
    )c4cc(ncn4)NC)O)C; CC1(CCN(CC1)Cc2ccc(cc
    2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn4)NC)O)C
    ; CNc1cc(ncn1)N2CCC[C](O)(CNC(=O)c3ccc(C
    N4CCC(C)(C)CC4)cc3)C2; CNc1cc(ncn1)N2CCC
    [C@@](O)(CNC(=O)c3ccc(CN4CCC(C)(C)CC4)cc
    3)C2    		 (R)-N-((3-hydroxy-1-(6-(methylamino)pyrimidin-4-yl)piperidin-3-yl)methyl)-4-((4-methylpiperidin-1-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-(methylamino)pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]benzamide
    38404
    UE3
    ZINC000000394028    		 1 C5 H10 O3 InChI=1S/C5H10O3/c1-2-3-4
    (6)5(7)8/h4,6H,2-3H2,1H3,
    (H,7,8)/t4-/m1/s1;
    JRHWHSJDIILJAT-SCSAIBSYSA-N    		 CCC[CH](O)C(O)=O; CCCC(C(=O)O)O; CCC[C@H
    ](C(=O)O)O; CCC[C@@H](O)C(O)=O    		 (2R)-2-oxidanylpentanoic acid;
    (2R)-2-hydroxypentanoic acid
    38405
    UE5    		 1 C32 H42 N6 O2 InChI=1S/C32H42N6O2/c1-31
    (2)14-17-37(18-15-31)21-2
    6-9-11-27(12-10-26)30(39)
    34-22-32(40)13-6-16-38(23
    -32)29-19-28(35-24-36-29)
    33-20-25-7-4-3-5-8-25/h3-
    5,7-12,19,24,40H,6,13-18,
    20-23H2,1-2H3,(H,34,39)(H
    ,33,35,36)/t32-/m1/s1;
    UMNYWWVELYOOIU-JGCGQSQUSA-N    		 CC1(CCN(CC1)Cc2ccc(cc2)C(=O)NCC3(CCCN(C3
    )c4cc(ncn4)NCc5ccccc5)O)C; CC1(CCN(CC1)C
    c2ccc(cc2)C(=O)NC[C@@]3(CCCN(C3)c4cc(ncn
    4)NCc5ccccc5)O)C; CC1(C)CCN(CC1)Cc2ccc(c
    c2)C(=O)NC[C@]3(O)CCCN(C3)c4cc(NCc5ccccc
    5)ncn4; CC1(C)CCN(CC1)Cc2ccc(cc2)C(=O)NC
    [C]3(O)CCCN(C3)c4cc(NCc5ccccc5)ncn4    		 (R)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-((4,4-dimethylpiperidin-1-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    38406
    UE6    		 0 C34 H47 F N8 O7 InChI=1S/C34H47FN8O7/c1-2
    1(2)32-23(15-30(46)38-11-
    13-42-19-25(18-36)40-41-4
    2)8-9-29(45)37-10-4-6-22(
    3)14-26(44)16-24(35)17-31
    -39-27(20-49-31)33(47)43-
    12-5-7-28(43)34(48)50-32/
    h4,6,8-9,14,19-21,23-24,2
    6,28,32,44H,5,7,10-13,15-
    18,36H2,1-3H3,(H,37,45)(H
    ,38,46)/b6-4+,9-8+,22-14+
    /t23-,24+,26+,28+,32+/m0/
    s1;
    RNJPMSAQPUHGGT-ZOWXNTJRSA-N    		 CC(C)[C@H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C
    [C@H](F)C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C
    /[C@H]1CC(=O)NCCn4cc(CN)nn4)n3; CC(C)[CH
    ]1OC(=O)[CH]2CCCN2C(=O)c3coc(C[CH](F)C[C
    H](O)C=C(C)C=CCNC(=O)C=C[CH]1CC(=O)NCCn4
    cc(CN)nn4)n3; C/C/1=C\[C@H](C[C@H](Cc2nc
    (co2)C(=O)N3CCC[C@@H]3C(=O)O[C@@H]([C@@H
    ](/C=C/C(=O)NC\C=C1)CC(=O)NCCn4cc(nn4)CN
    )C(C)C)F)O; CC1=CC(CC(Cc2nc(co2)C(=O)N3C
    CCC3C(=O)OC(C(C=CC(=O)NCC=C1)CC(=O)NCCn4
    cc(nn4)CN)C(C)C)F)O; NCc1cn(nn1)CCNC(=O)
    CC1C=CC(=O)NCC=CC(C)=CC(O)CC(F)Cc2nc(co2
    )C(=O)N2CCCC2C(=O)OC1C(C)C    		 N-{2-[4-(aminomethyl)-1H-1,2,3-triazol-1-yl]ethyl}-2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-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-4-yl]acetamide
    38407
    UE7    		 2 C9 H13 N3 O3 S InChI=1S/C9H13N3O3S/c1-2-
    11-9(13)12-7-3-5-8(6-4-7)
    16(10,14)15/h3-6H,2H2,1H3
    ,(H2,10,14,15)(H2,11,12,1
    3);
    MMKFCCLMBRGOIK-UHFFFAOYSA-N    		 CCNC(=O)Nc1ccc(cc1)[S](N)(=O)=O; CCNC(=O
    )Nc1ccc(cc1)S(=O)(=O)N    		 1-ethyl-3-(4-sulfamoylphenyl)urea;
    4-(3-ethylureido)benzenesulfonamide
    38408
    UE8
    CHEMBL4278946
    ZINC000038437163    		 4 C10 H12 N4 O2 S InChI=1S/C10H12N4O2S/c15-
    9-7-8(12-5-11-7)14(10(17)
    13-9)4-6-2-1-3-16-6/h5-6H
    ,1-4H2,(H,11,12)(H,13,15,
    17)/t6-/m1/s1;
    RSPDBEVKURKEII-ZCFIWIBFSA-N    		 O=C1NC(=S)N(C[CH]2CCCO2)c3[nH]cnc13; O=C
    1NC(=S)N(C[C@H]2CCCO2)c3[nH]cnc13; c1[nH
    ]c2c(n1)C(=O)NC(=S)N2C[C@H]3CCCO3; c1[nH
    ]c2c(n1)C(=O)NC(=S)N2CC3CCCO3    		 2-sulfanylidene-3-[(2R)-tetrahydro-2-furanylmethyl]-1,2,3,7-tetrahydro-6H-purin-6-one;
    3-[[(2~{R})-oxolan-2-yl]methyl]-2-sulfanylidene-9~{H}-purin-6-one
    38409
    UE9    		 1 C22 H18 F4 N4 O2 InChI=1S/C22H18F4N4O2/c1-
    12-5-3-4-6-17(12)29-19-18
    (9-14(11-28-19)20(31)27-2
    )30-21(32)13-7-15(22(24,2
    5)26)10-16(23)8-13/h3-11H
    ,1-2H3,(H,27,31)(H,28,29)
    (H,30,32);
    ZQUWDKRQMSZGSZ-UHFFFAOYSA-N    		 CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c3cc(F)c
    c(c3)C(F)(F)F)c1; FC(F)(F)c1cc(cc(F)c1)C
    (=O)Nc1cc(cnc1Nc1ccccc1C)C(=O)NC; Cc1ccc
    cc1Nc2c(cc(cn2)C(=O)NC)NC(=O)c3cc(cc(c3)
    F)C(F)(F)F    		 5-[3-fluoro-5-(trifluoromethyl)benzamido]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
    38410
    UEA    		 0 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3-
    5,7-11H,1-2H2/t3-,4+,5-,6
    -/m1/s1;
    RFSUNEUAIZKAJO-JGWLITMVSA-N    		 C([C@@H]1[C@@H]([C@H]([C@](O1)(CO)O)O)O)
    O; OC[CH]1O[C](O)(CO)[CH](O)[CH]1O; C(C1
    C(C(C(O1)(CO)O)O)O)O; OC[C@H]1O[C@](O)(C
    O)[C@H](O)[C@H]1O; OC1(C(C(C(O1)CO)O)O)C
    O    		 beta-D-sorbofuranose;
    beta-D-sorbose;
    D-sorbose;
    sorbose
    38411
    UEB    		 4 C20 H18 N4 O S InChI=1S/C20H18N4OS/c21-1
    7(13-6-2-1-3-7-13)15-9-5-
    4-8-14(15)12-24-16-10-11-
    22-18(16)19(25)23-20(24)2
    6/h1-11,17,22H,12,21H2,(H
    ,23,25,26)/t17-/m1/s1;
    JABFRGYJMKKWKF-QGZVFWFLSA-N    		 c1ccc(cc1)[C@H](c2ccccc2CN3c4cc[nH]c4C(=
    O)NC3=S)N; c1ccc(cc1)C(c2ccccc2CN3c4cc[n
    H]c4C(=O)NC3=S)N; N[C@H](c1ccccc1)c2cccc
    c2CN3C(=S)NC(=O)c4[nH]ccc34; N[CH](c1ccc
    cc1)c2ccccc2CN3C(=S)NC(=O)c4[nH]ccc34    		 (S)-1-(2-(amino(phenyl)methyl)benzyl)-2-thioxo-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one;
    1-[[2-[(~{R})-azanyl(phenyl)methyl]phenyl]methyl]-2-sulfanylidene-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one
    38412
    UEC    		 0 C38 H47 F N8 O7 InChI=1S/C38H47FN8O7/c1-2
    4(2)36-27(19-34(50)42-15-
    17-46-22-30(44-45-46)26-1
    0-13-40-14-11-26)8-9-33(4
    9)41-12-4-6-25(3)18-29(48
    )20-28(39)21-35-43-31(23-
    53-35)37(51)47-16-5-7-32(
    47)38(52)54-36/h4,6,8-11,
    13-14,18,22-24,27-29,32,3
    6,48H,5,7,12,15-17,19-21H
    2,1-3H3,(H,41,49)(H,42,50
    )/b6-4+,9-8+,25-18+/t27-,
    28+,29+,32+,36+/m0/s1;
    ZKKDHTKKKXTJNA-MYNZRUMZSA-N    		 C/C/1=C\[C@H](C[C@H](Cc2nc(co2)C(=O)N3CC
    C[C@@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)NC
    \C=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)F
    )O; CC(C)[CH]1OC(=O)[CH]2CCCN2C(=O)c3coc
    (C[CH](F)C[CH](O)C=C(C)C=CCNC(=O)C=C[CH]
    1CC(=O)NCCn4cc(nn4)c5ccncc5)n3; CC(C)[C@
    H]1OC(=O)[C@H]2CCCN2C(=O)c3coc(C[C@H](F)
    C[C@H](O)/C=C(C)/C=C/CNC(=O)/C=C/[C@H]1C
    C(=O)NCCn4cc(nn4)c5ccncc5)n3; CC1=CC(CC(
    Cc2nc(co2)C(=O)N3CCCC3C(=O)OC(C(C=CC(=O)
    NCC=C1)CC(=O)NCCn4cc(nn4)c5ccncc5)C(C)C)
    F)O; CC(C)C1OC(=O)C2CCCN2C(=O)c2nc(oc2)C
    C(F)CC(O)C=C(C)C=CCNC(=O)C=CC1CC(=O)NCCn
    1cc(nn1)c1ccncc1    		 2-[(3R,4R,5E,10E,12E,14S,16R,23S,26aR)-16-fluoro-14-hydroxy-12-methyl-1,7,22-trioxo-3-(propan-2-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-4-yl]-N-{2-[4-(pyridin-4-yl)-1H-1,2,3-triazol-1-yl]ethyl}acetamide
    38413
    UED
    ZINC000072178988    		 30 C21 H31 N3 O5 InChI=1S/C21H31N3O5/c1-14
    (2)10-18(24-21(28)29-13-1
    5-6-4-3-5-7-15)20(27)23-1
    7(12-25)11-16-8-9-22-19(1
    6)26/h3-7,14,16-18,25H,8-
    13H2,1-2H3,(H,22,26)(H,23
    ,27)(H,24,28)/t16-,17-,18
    -/m0/s1;
    JUCVXDDMQHPCKT-BZSNNMDCSA-N    		 CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H]
    (CO)C[C@@H]2CCNC2=O; CC(C)CC(C(=O)NC(CC1
    CCNC1=O)CO)NC(=O)OCc2ccccc2; CC(C)C[CH](
    NC(=O)OCc1ccccc1)C(=O)N[CH](CO)C[CH]2CCN
    C2=O; C(OC(=O)NC(C(NC(CO)CC1C(NCC1)=O)=O
    )CC(C)C)c2ccccc2; CC(C)C[C@@H](C(=O)N[C@
    @H](C[C@@H]1CCNC1=O)CO)NC(=O)OCc2ccccc2    		 N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide;
    GC373 bound form, GC376 bound form
    38414
    UEE    		 2 C31 H38 N6 O2 InChI=1S/C31H38N6O2/c38-2
    9(26-10-8-25(9-11-26)18-3
    6-20-30(21-36)12-4-13-30)
    33-19-31(39)14-5-15-37(22
    -31)28-16-27(34-23-35-28)
    32-17-24-6-2-1-3-7-24/h1-
    3,6-11,16,23,39H,4-5,12-1
    5,17-22H2,(H,33,38)(H,32,
    34,35)/t31-/m1/s1;
    YYXDDEFPSYEFQV-WJOKGBTCSA-N    		 O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(
    =O)c4ccc(CN5CC6(CCC6)C5)cc4; c1ccc(cc1)C
    Nc2cc(ncn2)N3CCC[C@](C3)(CNC(=O)c4ccc(cc
    4)CN5CC6(C5)CCC6)O; c1ccc(cc1)CNc2cc(ncn
    2)N3CCCC(C3)(CNC(=O)c4ccc(cc4)CN5CC6(C5)
    CCC6)O; O[C]1(CCCN(C1)c2cc(NCc3ccccc3)nc
    n2)CNC(=O)c4ccc(CN5CC6(CCC6)C5)cc4    		 (R)-4-((2-azaspiro[3.3]heptan-2-yl)methyl)-N-((1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)benzamide;
    4-(2-azaspiro[3.3]heptan-2-ylmethyl)-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    38415
    UEF    		 3 C12 H15 N3 O S InChI=1S/C12H15N3OS/c1-12
    (2)3-8(4-12)14-11(16)9-6-
    17-10-5-13-7-15(9)10/h5-8
    H,3-4H2,1-2H3,(H,14,16);
    BGTUKELOHMTWLO-UHFFFAOYSA-N    		 CC1(C)CC(C1)NC(=O)c2csc3cncn23; CC1(CC(C
    1)NC(=O)c2csc3n2cnc3)C    		 ~{N}-(3,3-dimethylcyclobutyl)imidazo[5,1-b][1,3]thiazole-3-carboxamide
    38416
    UEG
    CHEMBL1364
    DB00165
    ZINC000000049154    		 7 C8 H11 N O3 InChI=1S/C8H11NO3/c1-5-8(
    12)7(4-11)6(3-10)2-9-5/h2
    ,10-12H,3-4H2,1H3;
    LXNHXLLTXMVWPM-UHFFFAOYSA-N    		 Cc1c(c(c(cn1)CO)CO)O; Oc1c(c(cnc1C)CO)CO
    ; Cc1ncc(CO)c(CO)c1O    		 4,5-bis(hydroxymethyl)-2-methyl-pyridin-3-ol
    38417
    UEH    		 1 C34 H45 N7 O4 InChI=1S/C34H45N7O4/c1-33
    (2)11-14-40(15-12-33)20-2
    5-8-9-27(28(42)17-25)32(4
    4)37-21-34(45)10-5-13-41(
    22-34)30-18-29(38-23-39-3
    0)36-19-24-6-4-7-26(16-24
    )31(43)35-3/h4,6-9,16-18,
    23,42,45H,5,10-15,19-22H2
    ,1-3H3,(H,35,43)(H,37,44)
    (H,36,38,39)/t34-/m1/s1;
    HJSOUGSVWHGZMD-UUWRZZSWSA-N    		 CC1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NCC3(CCCN
    (C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C; C
    C1(CCN(CC1)Cc2ccc(c(c2)O)C(=O)NC[C@@]3(C
    CCN(C3)c4cc(ncn4)NCc5cccc(c5)C(=O)NC)O)C
    ; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C@@](O
    )(CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c
    1; CNC(=O)c1cccc(CNc2cc(ncn2)N3CCC[C](O)
    (CNC(=O)c4ccc(CN5CCC(C)(C)CC5)cc4O)C3)c1    		 (R)-4-((4,4-dimethylpiperidin-1-yl)methyl)-2-hydroxy-N-((3-hydroxy-1-(6-((3-(methylcarbamoyl)benzyl)amino)pyrimidin-4-yl)piperidin-3-yl)methyl)benzamide;
    4-[(4,4-dimethylpiperidin-1-yl)methyl]-~{N}-[[(3~{R})-1-[6-[[3-(methylcarbamoyl)phenyl]methylamino]pyrimidin-4-yl]-3-oxidanyl-piperidin-3-yl]methyl]-2-oxidanyl-benzamide
    38418
    UEI
    ZINC000005925366    		 1 C6 H12 O3 InChI=1S/C6H12O3/c1-3-4(2
    )5(7)6(8)9/h4-5,7H,3H2,1-
    2H3,(H,8,9)/t4-,5+/m0/s1;
    RILPIWOPNGRASR-CRCLSJGQSA-N    		 CC[CH](C)[CH](O)C(O)=O; CC[C@H](C)[C@@H]
    (O)C(O)=O; CCC(C)C(C(=O)O)O; CC[C@H](C)[
    C@H](C(=O)O)O    		 (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid;
    (2R,3S)-2-hydroxy-3-methylpentanoic acid
    38419
    UEJ
    CHEMBL5183286    		 2 C33 H25 F N6 O5 S InChI=1S/C33H25FN6O5S/c1-
    17(41)36-26-15-19(12-13-3
    5-26)29-28(38-33(39-29)46
    -2)18-6-5-7-20(14-18)37-3
    0(43)27-23(25(42)11-10-24
    (27)34)16-40-31(44)21-8-3
    -4-9-22(21)32(40)45/h3-15
    ,42H,16H2,1-2H3,(H,37,43)
    (H,38,39)(H,35,36,41);
    HPMLKUVOVSVMID-UHFFFAOYSA-N    		 CC(=O)Nc1cc(ccn1)c2c(nc([nH]2)SC)c3cccc(
    c3)NC(=O)c4c(ccc(c4CN5C(=O)c6ccccc6C5=O)
    O)F; CSc1[nH]c(c2ccnc(NC(C)=O)c2)c(n1)c3
    cccc(NC(=O)c4c(F)ccc(O)c4CN5C(=O)c6ccccc
    6C5=O)c3; c6ccc5C(=O)N(Cc4c(ccc(F)c4C(=O
    )Nc3cccc(c2c(c1cc(NC(C)=O)ncc1)nc(n2)SC)
    c3)O)C(c5c6)=O    		 N-(3-{5-[2-(acetylamino)pyridin-4-yl]-2-(methylsulfanyl)-1H-imidazol-4-yl}phenyl)-2-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]-6-fluoro-3-hydroxybenzamide
    38420
    UEK
    CHEMBL3357975
    ZINC000263621107    		 1 C29 H30 Cl2 F N3 O3 InChI=1S/C29H30Cl2FN3O3/c
    30-22-6-1-18(2-7-22)11-24
    (33)14-29(38)35-15-21(17-
    36)25(16-35)20-5-10-26(31
    )27(13-20)34-28(37)12-19-
    3-8-23(32)9-4-19/h1-10,13
    ,21,24-25,36H,11-12,14-17
    ,33H2,(H,34,37)/t21-,24-,
    25-/m1/s1;
    UXESSWKATFQQDS-NQHRYMMQSA-N    		 N[CH](CC(=O)N1C[CH](CO)[CH](C1)c2ccc(Cl)
    c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4; N
    [C@@H](CC(=O)N1C[C@H](CO)[C@H](C1)c2ccc(
    Cl)c(NC(=O)Cc3ccc(F)cc3)c2)Cc4ccc(Cl)cc4
    ; O=C(N3CC(c2ccc(Cl)c(NC(=O)Cc1ccc(F)cc1
    )c2)C(CO)C3)CC(N)Cc4ccc(Cl)cc4; c1cc(ccc
    1CC(CC(=O)N2CC(C(C2)c3ccc(c(c3)NC(=O)Cc4
    ccc(cc4)F)Cl)CO)N)Cl; c1cc(ccc1C[C@H](CC
    (=O)N2C[C@@H]([C@H](C2)c3ccc(c(c3)NC(=O)
    Cc4ccc(cc4)F)Cl)CO)N)Cl    		 N-{5-[(3S,4R)-1-[(3R)-3-amino-4-(4-chlorophenyl)butanoyl]-4-(hydroxymethyl)pyrrolidin-3-yl]-2-chlorophenyl}-2-(4-fluorophenyl)acetamide
    38421
    UEL    		 0 C9 H14 N5 O7 P InChI=1S/C9H14N5O7P/c15-4
    -1-6(21-5(4)2-20-22(17,18
    )19)14-8-7(12-13-14)9(16)
    11-3-10-8/h3-6,9,15-16H,1
    -2H2,(H,10,11)(H2,17,18,1
    9)/t4-,5+,6+,9+/m0/s1;
    JWFOELSSYQQOED-BKIHBWCSSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2nnc3[C
    H](O)NC=Nc23; O[C@H]1C[C@@H](O[C@@H]1CO[
    P](O)(O)=O)n2nnc3[C@@H](O)NC=Nc23; O=P(O
    )(O)OCC1OC(CC1O)n1nnc2c1N=CNC2O; C1[C@@H
    ]([C@H](O[C@H]1n2c3c(nn2)[C@H](NC=N3)O)C
    OP(=O)(O)O)O; C1C(C(OC1n2c3c(nn2)C(NC=N3
    )O)COP(=O)(O)O)O    		 (7R)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-6,7-dihydro-3H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol
    38422
    UEM    		 2 C27 H27 N5 O5 S InChI=1S/C27H27N5O5S/c28-
    19(27(35)36)10-11-38-13-2
    0-22(33)23(34)26(37-20)32
    -12-17(21-24(29)30-14-31-
    25(21)32)9-8-16-6-3-5-15-
    4-1-2-7-18(15)16/h1-7,12,
    14,19-20,22-23,26,33-34H,
    10-11,13,28H2,(H,35,36)(H
    2,29,30,31)/t19-,20+,22+,
    23+,26+/m0/s1;
    DUHQEPMMBOHBMU-CIPJCTFPSA-N    		 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O)n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(
    O)=O; N[CH](CCSC[CH]1O[CH]([CH](O)[CH]1O
    )n2cc(C#Cc3cccc4ccccc34)c5c(N)ncnc25)C(O
    )=O; c1ccc2c(c1)cccc2C#Cc3cn(c4c3c(ncn4)
    N)C5C(C(C(O5)CSCCC(C(=O)O)N)O)O; c1ccc2c
    (c1)cccc2C#Cc3cn(c4c3c(ncn4)N)[C@H]5[C@@
    H]([C@@H]([C@H](O5)CSCC[C@@H](C(=O)O)N)O
    )O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-naphthalen-1-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    38423
    UEN
    CHEMBL3318806
    ZINC000222800950    		 4 C18 H20 F N5 InChI=1S/C18H20FN5/c19-12
    -8-6-11(7-9-12)14-10-21-1
    6-15(14)17(24-18(20)23-16
    )22-13-4-2-1-3-5-13/h6-10
    ,13H,1-5H2,(H4,20,21,22,2
    3,24);
    QQJUCGSYNBAQMI-UHFFFAOYSA-N    		 c1cc(ccc1c2c[nH]c3c2c(nc(n3)N)NC4CCCCC4)
    F; Nc1nc2[nH]cc(c3ccc(F)cc3)c2c(NC4CCCCC
    4)n1; Fc4ccc(c3c1c(nc(nc1NC2CCCCC2)N)nc3
    )cc4    		 N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    38424
    UEO    		 1 C19 H24 N6 O2 InChI=1S/C19H24N6O2/c1-3-
    18(26)24-9-4-5-15(7-10-24
    )27-19-17-6-8-20-25(17)13
    -16(22-19)14-11-21-23(2)1
    2-14/h6,8,11-13,15H,3-5,7
    ,9-10H2,1-2H3/t15-/m1/s1;
    ZGDYATLTXZZPSE-OAHLLOKOSA-N    		 CCC(=O)N1CCCC(CC1)Oc2c3ccnn3cc(n2)c4cnn(
    c4)C; CCC(=O)N1CCC[C@H](CC1)Oc2c3ccnn3cc
    (n2)c4cnn(c4)C; CCC(=O)N1CCC[CH](CC1)Oc2
    nc(cn3nccc23)c4cnn(C)c4; CCC(=O)N1CCC[C@
    H](CC1)Oc2nc(cn3nccc23)c4cnn(C)c4; CCC(=
    O)N1CCCC(CC1)Oc1nc(cn2nccc12)c1cn(C)nc1    		 1-[(4R)-4-{[(6P,8S)-6-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy}azepan-1-yl]propan-1-one
    38425
    UEP
    ZINC000058639081    		 4 C11 H17 N2 O9 P InChI=1S/C11H17N2O9P/c1-2
    -5-3-7(14)12-11(17)13(5)1
    0-9(16)8(15)6(22-10)4-21-
    23(18,19)20/h3,6,8-10,15-
    16H,2,4H2,1H3,(H,12,14,17
    )(H2,18,19,20)/t6-,8-,9-,
    10-/m1/s1;
    SVESMKHPINYNGL-PEBGCTIMSA-N    		 O=C1NC(=O)N(C(=C1)CC)C2OC(C(O)C2O)COP(=O
    )(O)O; CCC1=CC(=O)NC(=O)N1[C@H]2[C@@H]([
    C@@H]([C@H](O2)COP(=O)(O)O)O)O; CCC1=CC(
    =O)NC(=O)N1[CH]2O[CH](CO[P](O)(O)=O)[CH]
    (O)[CH]2O; CCC1=CC(=O)NC(=O)N1[C@@H]2O[C
    @H](CO[P](O)(O)=O)[C@@H](O)[C@H]2O; CCC1
    =CC(=O)NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)
    O    		 6-ethyluridine 5'-phosphate;
    6-ethyl-UMP
    38426
    UEQ    		 1 C34 H42 N6 O2 InChI=1S/C34H42N6O2/c41-3
    2(28-10-8-26(9-11-28)20-4
    0-22-33(14-4-15-33)31(40)
    27-12-13-27)36-21-34(42)1
    6-5-17-39(23-34)30-18-29(
    37-24-38-30)35-19-25-6-2-
    1-3-7-25/h1-3,6-11,18,24,
    27,31,42H,4-5,12-17,19-23
    H2,(H,36,41)(H,35,37,38)/
    t31-,34-/m1/s1;
    OWDBESCKAVDZRB-QIKUIUABSA-N    		 c1ccc(cc1)CNc2cc(ncn2)N3CCC[C@](C3)(CNC(
    =O)c4ccc(cc4)CN5CC6([C@H]5C7CC7)CCC6)O;
    O[C@]1(CCCN(C1)c2cc(NCc3ccccc3)ncn2)CNC(
    =O)c4ccc(CN5CC6(CCC6)[C@H]5C7CC7)cc4; c1
    ccc(cc1)CNc2cc(ncn2)N3CCCC(C3)(CNC(=O)c4
    ccc(cc4)CN5CC6(C5C7CC7)CCC6)O; O[C]1(CCC
    N(C1)c2cc(NCc3ccccc3)ncn2)CNC(=O)c4ccc(C
    N5CC6(CCC6)[CH]5C7CC7)cc4    		 4-[[(3R)-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-N-[[(3R)-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide;
    4-[[(3~{R})-3-cyclopropyl-2-azaspiro[3.3]heptan-2-yl]methyl]-~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]benzamide
    38427
    UER
    CHEMBL4446343    		 9 C21 H23 Cl F3 N3 O3 S InChI=1S/C21H23ClF3N3O3S/
    c1-20(2,32(30,31)18-8-5-1
    6(13-26-18)21(23,24)25)19
    (29)28-11-9-27(10-12-28)1
    4-15-3-6-17(22)7-4-15/h3-
    8,13H,9-12,14H2,1-2H3;
    MFQQEGNFXSEGTC-UHFFFAOYSA-N    		 CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](=
    O)(=O)c3ccc(cn3)C(F)(F)F; FC(F)(F)c1ccc(
    nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl
    )cc2)CC1; CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc
    2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F    		 1-{4-[(4-chlorophenyl)methyl]piperazin-1-yl}-2-methyl-2-[5-(trifluoromethyl)pyridine-2-sulfonyl]propan-1-one
    38428
    UES    		 2 C24 H26 N6 InChI=1S/C24H26N6/c1-29-1
    1-9-18(10-12-29)17-5-7-22
    (8-6-17)27-24-25-14-20-4-
    3-19(13-23(20)28-24)21-15
    -26-30(2)16-21/h3-8,13-16
    ,18H,9-12H2,1-2H3,(H,25,2
    7,28);
    VCCYOHCOICDUFL-UHFFFAOYSA-N    		 Cn1cc(cn1)c2ccc3cnc(nc3c2)Nc4ccc(cc4)C5C
    CN(CC5)C; CN1CCC(CC1)c2ccc(Nc3ncc4ccc(cc
    4n3)c5cnn(C)c5)cc2    		 ~{N}-[4-(1-methylpiperidin-4-yl)phenyl]-7-(1-methylpyrazol-4-yl)quinazolin-2-amine
    38429
    UET
    CHEMBL3608989
    ZINC000003818000    		 1 C26 H29 N5 O4 S InChI=1S/C26H29N5O4S/c27-
    25(28)22-13-11-20(12-14-2
    2)16-29-24(32)17-30-26(33
    )23(15-19-7-3-1-4-8-19)31
    -36(34,35)18-21-9-5-2-6-1
    0-21/h1-14,23,31H,15-18H2
    ,(H3,27,28)(H,29,32)(H,30
    ,33)/t23-/m1/s1;
    BHPZMFXUQRHXSO-HSZRJFAPSA-N    		 c1ccc(cc1)C[C@H](C(=O)NCC(=O)NCc2ccc(cc2
    )C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1ccc
    (CNC(=O)CNC(=O)[C@@H](Cc2ccccc2)N[S](=O)
    (=O)Cc3ccccc3)cc1; O=S(=O)(NC(C(=O)NCC(=
    O)NCc1ccc(C(=[N@H])N)cc1)Cc2ccccc2)Cc3cc
    ccc3; c1ccc(cc1)CC(C(=O)NCC(=O)NCc2ccc(c
    c2)C(=N)N)NS(=O)(=O)Cc3ccccc3; NC(=N)c1c
    cc(CNC(=O)CNC(=O)[CH](Cc2ccccc2)N[S](=O)
    (=O)Cc3ccccc3)cc1    		 N-(BENZYLSULFONYL)-D-PHENYLALANYL-N-(4-CARBAMIMIDOYLBENZYL)GLYCINAMIDE
    38430
    UEU    		 1 C28 H27 F2 N3 O2 InChI=1S/C28H27F2N3O2/c1-
    28(2,35)14-17-3-7-23(26(3
    0)11-17)22-8-6-19(27(34)3
    3-10-9-21(32)16-33)12-24(
    22)18-4-5-20(15-31)25(29)
    13-18/h3-8,11-13,21,35H,9
    -10,14,16,32H2,1-2H3/t21-
    /m1/s1;
    SADVGAWKLORBLA-OAQYLSRUSA-N    		 CC(C)(O)Cc1ccc(c(F)c1)c2ccc(cc2c3ccc(C#N
    )c(F)c3)C(=O)N4CC[CH](N)C4; CC(C)(O)Cc1c
    cc(c(F)c1)c2ccc(cc2c3ccc(C#N)c(F)c3)C(=O
    )N4CC[C@@H](N)C4; CC(C)(Cc1ccc(c(c1)F)c2
    ccc(cc2c3ccc(c(c3)F)C#N)C(=O)N4CCC(C4)N)
    O; CC(C)(Cc1ccc(c(c1)F)c2ccc(cc2c3ccc(c(
    c3)F)C#N)C(=O)N4CC[C@H](C4)N)O    		 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile
    38431
    UEV    		 1 C6 H19 O27 P7 InChI=1S/C6H19O27P7/c7-34
    (8,9)27-1-2(28-35(10,11)1
    2)4(30-37(16,17)18)6(32-4
    0(25,26)33-39(22,23)24)5(
    31-38(19,20)21)3(1)29-36(
    13,14)15/h1-6H,(H,25,26)(
    H2,7,8,9)(H2,10,11,12)(H2
    ,13,14,15)(H2,16,17,18)(H
    2,19,20,21)(H2,22,23,24)/
    t1-,2-,3+,4+,5-,6+;
    UPHPWXPNZIOZJL-QWBQGLJISA-N    		 O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](
    O[P](O)(O)=O)[CH](O[P](O)(=O)O[P](O)(O)=
    O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O; C
    1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)
    (O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=
    O)(O)O; [C@H]1([C@H](C([C@H]([C@@H](C1OP
    (=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)
    OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O; O[P](O
    )(=O)O[C@H]1[C@H](O[P](O)(O)=O)[C@@H](O[
    P](O)(O)=O)[C@@H](O[P](O)(=O)O[P](O)(O)=
    O)[C@@H](O[P](O)(O)=O)[C@@H]1O[P](O)(O)=
    O; C1(C(C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=
    O)(O)OP(O)(=O)O)C1OP(=O)(O)O)OP(O)(O)=O)
    OP(=O)(O)O    		 (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate
    38432
    UEW    		 1 C34 H44 N6 O2 InChI=1S/C34H44N6O2/c1-25
    (2)31-33(14-6-15-33)22-40
    (31)20-27-10-12-28(13-11-
    27)32(41)36-21-34(42)16-7
    -17-39(23-34)30-18-29(37-
    24-38-30)35-19-26-8-4-3-5
    -9-26/h3-5,8-13,18,24-25,
    31,42H,6-7,14-17,19-23H2,
    1-2H3,(H,36,41)(H,35,37,3
    8)/t31-,34+/m0/s1;
    HVTLFMVGWJQMMA-AFPLUKJUSA-N    		 CC(C)[C@H]1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NC
    [C@@]4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O; C
    C(C)[CH]1N(Cc2ccc(cc2)C(=O)NC[C]3(O)CCCN
    (C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C)
    [C@@H]1N(Cc2ccc(cc2)C(=O)NC[C@]3(O)CCCN(
    C3)c4cc(NCc5ccccc5)ncn4)CC16CCC6; CC(C)C
    1C2(CCC2)CN1Cc3ccc(cc3)C(=O)NCC4(CCCN(C4
    )c5cc(ncn5)NCc6ccccc6)O    		 N-(((R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-hydroxypiperidin-3-yl)methyl)-4-(((S)-1-isopropyl-2-azaspiro[3.3]heptan-2-yl)methyl)benzamide;
    ~{N}-[[(3~{R})-3-oxidanyl-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-yl]methyl]-4-[[(3~{S})-3-propan-2-yl-2-azaspiro[3.3]heptan-2-yl]methyl]benzamide
    38433
    UEX    		 1 C25 H23 Cl N6 O3 InChI=1S/C25H23ClN6O3/c1-
    13-8-17(14(2)28-19-4-5-20
    (26)29-22(19)24(34)35)21-
    18(9-13)23(33)31(3)25(30-
    21)32-11-15-6-7-27-10-16(
    15)12-32/h4-10,14,28H,11-
    12H2,1-3H3,(H,34,35)/t14-
    /m1/s1;
    NTAJKWXFTUHESI-CQSZACIVSA-N    		 Cc1cc2c(c(c1)[C@@H](C)Nc3ccc(nc3C(=O)O)C
    l)N=C(N(C2=O)C)N4Cc5ccncc5C4; C[C@@H](Nc
    1ccc(Cl)nc1C(O)=O)c2cc(C)cc3C(=O)N(C)C(=
    Nc23)N4Cc5ccncc5C4; C[CH](Nc1ccc(Cl)nc1C
    (O)=O)c2cc(C)cc3C(=O)N(C)C(=Nc23)N4Cc5cc
    ncc5C4; Cc1cc2c(c(c1)C(C)Nc3ccc(nc3C(=O)
    O)Cl)N=C(N(C2=O)C)N4Cc5ccncc5C4    		 6-chloranyl-3-[[(1R)-1-[2-(1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)-3,6-dimethyl-4-oxidanylidene-quinazolin-8-yl]ethyl]amino]pyridine-2-carboxylic acid
    38434
    UEY
    CHEMBL4761170    		 2 C19 H17 N5 InChI=1S/C19H17N5/c20-17-
    12-16(18-19(21-17)23-24-2
    2-18)15(14-9-5-2-6-10-14)
    11-13-7-3-1-4-8-13/h1-10,
    12,15H,11H2,(H3,20,21,22,
    23,24)/t15-/m1/s1;
    PCFOKFFOSYNQNP-OAHLLOKOSA-N    		 Nc1cc([C@H](Cc2ccccc2)c3ccccc3)c4nn[nH]c
    4n1; c4cccc(CC(c2cc(nc1c2nnn1)N)c3ccccc3
    )c4; c1ccc(cc1)C[C@H](c2ccccc2)c3cc(nc4c
    3nn[nH]4)N; Nc1cc([CH](Cc2ccccc2)c3ccccc
    3)c4nn[nH]c4n1; c1ccc(cc1)CC(c2ccccc2)c3
    cc(nc4c3nn[nH]4)N    		 7-[(1R)-1,2-diphenylethyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    38435
    UEZ    		 1 C35 H44 N6 O InChI=1S/C35H44N6O/c1-34(
    2)15-18-40(19-16-34)23-28
    -12-13-30-29(20-28)10-6-1
    1-31(30)37-24-35(42)14-7-
    17-41(25-35)33-21-32(38-2
    6-39-33)36-22-27-8-4-3-5-
    9-27/h3-6,8-13,20-21,26,3
    7,42H,7,14-19,22-25H2,1-2
    H3,(H,36,38,39)/t35-/m1/s
    1;
    JOOQNDNGGGWANB-PGUFJCEWSA-N    		 CC1(C)CCN(CC1)Cc2ccc3c(NC[C]4(O)CCCN(C4)
    c5cc(NCc6ccccc6)ncn5)cccc3c2; CC1(CCN(CC
    1)Cc2ccc3c(c2)cccc3NC[C@@]4(CCCN(C4)c5cc
    (ncn5)NCc6ccccc6)O)C; CC1(C)CCN(CC1)Cc2c
    cc3c(NC[C@]4(O)CCCN(C4)c5cc(NCc6ccccc6)n
    cn5)cccc3c2; CC1(CCN(CC1)Cc2ccc3c(c2)ccc
    c3NCC4(CCCN(C4)c5cc(ncn5)NCc6ccccc6)O)C    		 (R)-1-(6-(benzylamino)pyrimidin-4-yl)-3-(((6-((4,4-dimethylpiperidin-1-yl)methyl)naphthalen-1-yl)amino)methyl)piperidin-3-ol;
    (3~{R})-3-[[[6-[(4,4-dimethylpiperidin-1-yl)methyl]naphthalen-1-yl]amino]methyl]-1-[6-[(phenylmethyl)amino]pyrimidin-4-yl]piperidin-3-ol
    38436
    UF0
    ZINC000098209495    		 0 C16 H31 N4 O11 P InChI=1S/C16H31N4O11P/c1-
    16(2,9-31-32(28,29)30-8-1
    0(17)15(26)27)13(24)14(25
    )20-4-3-11(22)18-5-6-19-1
    2(23)7-21/h10,13,21,24H,3
    -9,17H2,1-2H3,(H,18,22)(H
    ,19,23)(H,20,25)(H,26,27)
    (H,28,29)/t10-,13-/m0/s1;
    BKLLNZDPEYUPTK-GWCFXTLKSA-N    		 CC(C)(CO[P](O)(=O)OC[CH](N)C(O)=O)[CH](O
    )C(=O)NCCC(=O)NCCNC(=O)CO; CC(C)(COP(=O)
    (O)OCC(C(=O)O)N)C(C(=O)NCCC(=O)NCCNC(=O)
    CO)O; CC(C)(CO[P@@](=O)(O)OC[C@@H](C(=O)
    O)N)[C@H](C(=O)NCCC(=O)NCCNC(=O)CO)O; CC
    (C)(CO[P](O)(=O)OC[C@H](N)C(O)=O)[C@@H](
    O)C(=O)NCCC(=O)NCCNC(=O)CO    		 O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(hydroxyacetyl)amino]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine
    38437
    UF2
    CHEMBL403945
    ZINC000029043591    		 0 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(14)4(3-19-21(16,17)18
    )20-8(6)12-2-1-5(13)11-9(
    12)15/h1-2,4,6-8,14H,3H2,
    (H,11,13,15)(H2,16,17,18)
    /t4-,6+,7-,8-/m1/s1;
    RTGGYPQTXNSBPD-PXBUCIJWSA-N    		 O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2
    C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC
    (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)C2C(C
    (C(O2)COP(=O)(O)O)O)F; C1=CN(C(=O)NC1=O)
    [C@H]2[C@H]([C@@H]([C@H](O2)COP(=O)(O)O)
    O)F; O[C@H]1[C@H](F)[C@@H](O[C@@H]1CO[P]
    (O)(O)=O)N2C=CC(=O)NC2=O    		 1-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)pyrimidine-2,4(1H,3H)-dione;
    2'-fluoro-2'-deoxyuridine
    38438
    UF3    		 1 C11 H6 Cl N3 O2 InChI=1S/C11H6ClN3O2/c12-
    5-1-2-7-6(3-5)9-8(4-13-7)
    14-10(16)11(17)15-9/h1-4H
    ,(H,14,16)(H,15,17);
    LKHRQOBJACQEBJ-UHFFFAOYSA-N    		 Clc1ccc2ncc3NC(=O)C(=O)Nc3c2c1; c1cc2c(c
    c1Cl)c3c(cn2)NC(=O)C(=O)N3    		 9-chloranyl-1,4-dihydropyrazino[2,3-c]quinoline-2,3-dione
    38439
    UF4    		 1 C26 H25 N5 O3 InChI=1S/C26H25N5O3/c1-26
    (2,27)9-8-17-10-20-25(29-
    12-17)31(16-30-20)14-18-4
    -6-21-22(11-18)33-15-23(3
    4-21)19-5-7-24(32-3)28-13
    -19/h4-7,10-13,16,23H,14-
    15,27H2,1-3H3/t23-/m1/s1;
    DRBFONOVLOXKJM-HSZRJFAPSA-N    		 CC(C)(C#Cc1cc2c(nc1)n(cn2)Cc3ccc4c(c3)OC
    C(O4)c5ccc(nc5)OC)N; COc1ccc(cn1)[C@H]2C
    Oc3cc(Cn4cnc5cc(cnc45)C#CC(C)(C)N)ccc3O2
    ; COc1ccc(cn1)[CH]2COc3cc(Cn4cnc5cc(cnc4
    5)C#CC(C)(C)N)ccc3O2; CC(C)(C#Cc1cc2c(nc
    1)n(cn2)Cc3ccc4c(c3)OC[C@@H](O4)c5ccc(nc
    5)OC)N; CC(N)(C#Cc1cnc2n(cnc2c1)Cc3cc4c(
    cc3)OC(CO4)c5cnc(cc5)OC)C    		 4-(3-{[(2S)-2-(6-methoxypyridin-3-yl)-2,3-dihydro-1,4-benzodioxin-6-yl]methyl}-3H-imidazo[4,5-b]pyridin-6-yl)-2-methylbut-3-yn-2-amine
    38440
    UF5    		 5 C8 H9 Cl N2 O2 S2 InChI=1S/C8H9ClN2O2S2/c9-
    7-3-6-8(14-7)15(12,13)10-
    4-11(6)5-1-2-5/h3,5,10H,1
    -2,4H2;
    PJOUJJTUKBFKPV-UHFFFAOYSA-N    		 Clc1sc2c(c1)N(CN[S]2(=O)=O)C3CC3; c1c2c(
    sc1Cl)S(=O)(=O)NCN2C3CC3    		 6-chloranyl-4-cyclopropyl-2,3-dihydrothieno[3,2-e][1,2,4]thiadiazine 1,1-dioxide
    38441
    UF6    		 2 C23 H32 N4 O6 InChI=1S/C23H32N4O6/c28-1
    5-20-22(30)23(31)21(29)14
    -26(20)10-4-2-1-3-7-25-18
    -11-17(12-19(13-18)27(32)
    33)16-5-8-24-9-6-16/h5-6,
    8-9,11-13,20-23,25,28-31H
    ,1-4,7,10,14-15H2/t20-,21
    +,22-,23-/m0/s1;
    MVGXUAWNTZOMGP-BJESRGMDSA-N    		 c1cnccc1c2cc(cc(c2)[N+](=O)[O-])NCCCCCCN
    3CC(C(C(C3CO)O)O)O; c1cnccc1c2cc(cc(c2)[
    N+](=O)[O-])NCCCCCCN3C[C@H]([C@@H]([C@H]
    ([C@@H]3CO)O)O)O; [O-][N+](=O)c1cc(cc(c1
    )NCCCCCCN1CC(O)C(O)C(O)C1CO)c1ccncc1; OC
    [CH]1[CH](O)[CH](O)[CH](O)CN1CCCCCCNc2cc
    (cc(c2)[N+]([O-])=O)c3ccncc3; OC[C@H]1[C
    @H](O)[C@@H](O)[C@H](O)CN1CCCCCCNc2cc(cc
    (c2)[N+]([O-])=O)c3ccncc3    		 (2S,3S,4S,5R)-2-(hydroxymethyl)-1-{6-[3-nitro-5-(pyridin-4-yl)anilino]hexyl}piperidine-3,4,5-triol
    38442
    UF7
    CHEMBL4747269    		 3 C29 H28 N6 InChI=1S/C29H28N6/c30-27-
    18-25(28-29(32-27)34-35-3
    3-28)21(19-9-3-1-4-10-19)
    15-16-31-26-17-24(20-11-5
    -2-6-12-20)22-13-7-8-14-2
    3(22)26/h1-14,18,21,24,26
    ,31H,15-17H2,(H3,30,32,33
    ,34,35)/t21-,24+,26+/m1/s
    1;
    PUZMDZNRNPQCRQ-DSBYRVASSA-N    		 c1ccc(cc1)C2CC(c3c2cccc3)NCCC(c4ccccc4)c
    5cc(nc6c5nn[nH]6)N; C3C(c1ccccc1)c2ccccc
    2C3NCCC(c4ccccc4)c5cc(N)nc6c5nnn6; Nc1cc
    ([CH](CCN[CH]2C[CH](c3ccccc3)c4ccccc24)c
    5ccccc5)c6nn[nH]c6n1; c1ccc(cc1)[C@@H]2C
    [C@@H](c3c2cccc3)NCC[C@H](c4ccccc4)c5cc(
    nc6c5nn[nH]6)N; Nc1cc([C@H](CCN[C@H]2C[C
    @@H](c3ccccc3)c4ccccc24)c5ccccc5)c6nn[nH
    ]c6n1    		 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    38443
    UF8
    CHEMBL222102
    ZINC000003817388    		 2 C21 H17 N O3 S2 InChI=1S/C21H17NO3S2/c23-
    14-12-16(25-20(13-14)22-8
    -10-24-11-9-22)15-4-3-7-1
    9-21(15)27-18-6-2-1-5-17(
    18)26-19/h1-7,12-13H,8-11
    H2;
    XRKYMMUGXMWDAO-UHFFFAOYSA-N    		 c1ccc2c(c1)Sc3cccc(c3S2)C4=CC(=O)C=C(O4)
    N5CCOCC5; O=C1C=C(OC(=C1)c2cccc3Sc4ccccc
    4Sc23)N5CCOCC5    		 2-morpholin-4-yl-6-thianthren-1-yl-pyran-4-one;
    2-morpholino-6-(thianthren-1-yl)-4H-pyran-4-one
    38444
    UF9    		 3 C23 H25 N5 O5 S InChI=1S/C23H25N5O5S/c24-
    15(23(31)32)8-9-34-11-16-
    18(29)19(30)22(33-16)28-1
    0-14(7-6-13-4-2-1-3-5-13)
    17-20(25)26-12-27-21(17)2
    8/h1-5,10,12,15-16,18-19,
    22,29-30H,8-9,11,24H2,(H,
    31,32)(H2,25,26,27)/t15-,
    16+,18+,19+,22+/m0/s1;
    ARBIWWNISHROOL-XVZIYINBSA-N    		 c1ccc(cc1)C#Cc2cn(c3c2c(ncn3)N)C4C(C(C(O
    4)CSCCC(C(=O)O)N)O)O; N[CH](CCSC[CH]1O[C
    H]([CH](O)[CH]1O)n2cc(C#Cc3ccccc3)c4c(N)
    ncnc24)C(O)=O; c1ccc(cc1)C#Cc2cn(c3c2c(n
    cn3)N)[C@H]4[C@@H]([C@@H]([C@H](O4)CSCC[
    C@@H](C(=O)O)N)O)O; N[C@@H](CCSC[C@H]1O[
    C@H]([C@H](O)[C@@H]1O)n2cc(C#Cc3ccccc3)c
    4c(N)ncnc24)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-[4-azanyl-5-(2-phenylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    38445
    UFA
    CHEMBL4763667    		 4 C26 H30 N6 InChI=1S/C26H30N6/c27-24-
    17-23(25-26(29-24)31-32-3
    0-25)22(20-9-5-2-6-10-20)
    15-16-28-21-13-11-19(12-1
    4-21)18-7-3-1-4-8-18/h1-1
    0,17,19,21-22,28H,11-16H2
    ,(H3,27,29,30,31,32)/t19-
    ,21-,22-/m1/s1;
    NHADCFXDVDQVFZ-CEMLEFRQSA-N    		 Nc1cc([CH](CCN[CH]2CC[CH](CC2)c3ccccc3)c
    4ccccc4)c5nn[nH]c5n1; c1ccc(cc1)C(c3cc(n
    c2c3nnn2)N)CCNC4CCC(CC4)c5ccccc5; c1ccc(
    cc1)C2CCC(CC2)NCCC(c3ccccc3)c4cc(nc5c4nn
    [nH]5)N; c1ccc(cc1)C2CCC(CC2)NCC[C@H](c3
    ccccc3)c4cc(nc5c4nn[nH]5)N; Nc1cc([C@H](
    CCN[C@H]2CC[C@@H](CC2)c3ccccc3)c4ccccc4)
    c5nn[nH]c5n1    		 7-{(1R)-1-phenyl-3-[(trans-4-phenylcyclohexyl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    38446
    UFB    		 0 C10 H14 F N2 O9 P InChI=1S/C10H14FN2O9P/c1-
    20-10(4-21-23(17,18)19)7(
    15)6(11)8(22-10)13-3-2-5(
    14)12-9(13)16/h2-3,6-8,15
    H,4H2,1H3,(H,12,14,16)(H2
    ,17,18,19)/t6-,7+,8-,10+/
    m1/s1;
    ZYOWQXVTIIKUDO-JIOCBJNQSA-N    		 CO[C]1(CO[P](O)(O)=O)O[CH]([CH](F)[CH]1O
    )N2C=CC(=O)NC2=O; CO[C@@]1([C@H]([C@H]([
    C@@H](O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O)O
    ; CO[C@@]1(CO[P](O)(O)=O)O[C@H]([C@H](F)
    [C@@H]1O)N2C=CC(=O)NC2=O; C1(C(F)C(O)C(O
    1)(COP(O)(=O)O)OC)N2C(=O)NC(C=C2)=O; COC
    1(C(C(C(O1)N2C=CC(=O)NC2=O)F)O)COP(=O)(O
    )O    		 2'-F,4'-beta-OMe Uridine 5'-(dihydrogen phosphate)
    38447
    UFD    		 2 C28 H32 N6 InChI=1S/C28H32N6/c29-24-
    19-23(25-26(31-24)33-34-3
    2-25)22(20-7-3-1-4-8-20)1
    1-18-30-28-15-12-27(13-16
    -28,14-17-28)21-9-5-2-6-1
    0-21/h1-10,19,22,30H,11-1
    8H2,(H3,29,31,32,33,34)/t
    22-,27-,28+/m1/s1;
    XBWRTBUYSVKILQ-OFEZKSIWSA-N    		 Nc1cc([C@H](CCNC23CCC(CC2)(CC3)c4ccccc4)
    c5ccccc5)c6nn[nH]c6n1; c1cccc(c1)C(c3cc(
    nc2nnnc23)N)CCNC64CCC(CC4)(c5ccccc5)CC6;
    c1ccc(cc1)C(CCNC23CCC(CC2)(CC3)c4ccccc4
    )c5cc(nc6c5nn[nH]6)N; Nc1cc([CH](CCNC23C
    CC(CC2)(CC3)c4ccccc4)c5ccccc5)c6nn[nH]c6
    n1; c1ccc(cc1)[C@@H](CCNC23CCC(CC2)(CC3)
    c4ccccc4)c5cc(nc6c5nn[nH]6)N    		 7-{(1R)-1-phenyl-3-[(4-phenylbicyclo[2.2.2]octan-1-yl)amino]propyl}-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine
    38448
    UFE    		 1 C40 H36 Fe N4 O16 InChI=1S/C40H38N4O16.Fe/c
    45-33(46)5-1-17-21(9-37(5
    3)54)29-14-27-19(3-7-35(4
    9)50)22(10-38(55)56)30(43
    -27)15-28-20(4-8-36(51)52
    )24(12-40(59)60)32(44-28)
    16-31-23(11-39(57)58)18(2
    -6-34(47)48)26(42-31)13-2
    5(17)41-29;/h13-16H,1-12H
    2,(H10,41,42,43,44,45,46,
    47,48,49,50,51,52,53,54,5
    5,56,57,58,59,60);/q;+2/p
    -2/b25-13-,26-13-,27-14-,
    28-15-,29-14-,30-15-,31-1
    6-,32-16-;;
    UABKTZYUFZQVBH-RGGAHWMASA-L    		 C1=C2C(=C(C3=[N]2[Fe]45n6c1c(c(c6C=C7[N]
    4=C(C=C8N5C(=C3)C(=C8CCC(=O)O)CC(=O)O)C(
    =C7CC(=O)O)CCC(=O)O)CC(=O)O)CCC(=O)O)CCC
    (=O)O)CC(=O)O; O=C(O)CCC1=C(C2=Cc4c(c(c3
    C=C5C(=C(C=6C=C8C(=C(C7=CC1=N2[Fe](n34)(
    N5=6)N78)CC(=O)O)CCC(=O)O)CCC(=O)O)CC(=O
    )O)CC(=O)O)CCC(=O)O)CC(=O)O; OC(=O)CCC1=
    C(CC(O)=O)C2=Cc3n4[Fe]5|6|N2=C1C=c7n5c(=
    CC8=N|6C(=Cc4c(CCC(O)=O)c3CC(O)=O)C(=C8C
    CC(O)=O)CC(O)=O)c(CC(O)=O)c7CCC(O)=O    		 Fe(III) Uroporphyrin
    38449
    UFF    		 8 Fe7 S7 InChI=1S/7Fe.HS.6S/h;;;;;
    ;;1H;;;;;;;
    PVYXUKKSKYTPFX-UHFFFAOYSA-N    		 S1[Fe]2S[Fe]3[S]2[Fe]1[S]345[Fe]6[S]7[Fe
    ]4[S]8[Fe]7[S]6[Fe]58; S1[Fe]S[Fe](S[Fe]
    1)[S]23[Fe]S[Fe]S[Fe]2S[Fe]3    		 FE(7)-S(7) CLUSTER
    38450
    UFG
    CHEMBL593125
    DB04097
    ZINC000016051558    		 6 C15 H23 F N2 O16 P2 InChI=1S/C15H23FN2O16P2/c
    16-8-5(3-19)32-14(12(24)1
    0(8)22)33-36(28,29)34-35(
    26,27)30-4-6-9(21)11(23)1
    3(31-6)18-2-1-7(20)17-15(
    18)25/h1-2,5-6,8-14,19,21
    -24H,3-4H2,(H,26,27)(H,28
    ,29)(H,17,20,25)/t5-,6-,8
    -,9-,10+,11-,12-,13-,14-/
    m1/s1;
    OAPPZHVTNHJVAL-JZMIEXBBSA-N    		 C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP
    (=O)(O)OC3C(C(C(C(O3)CO)F)O)O)O)O; O=P(O
    C1OC(C(F)C(O)C1O)CO)(O)OP(=O)(O)OCC3OC(N
    2C=CC(=O)NC2=O)C(O)C3O; OC[C@H]1O[C@H](O
    [P@@](O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H](
    [C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O)[C@H](O
    )[C@@H](O)[C@@H]1F; OC[CH]1O[CH](O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1F;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]
    3[C@@H]([C@H]([C@@H]([C@H](O3)CO)F)O)O)O
    )O    		 URIDINE-5'-DIPHOSPHATE-4-DEOXY-4-FLUORO-ALPHA-D-GALACTOSE
    38451
    UFH    		 1 C10 H7 Br N2 O InChI=1S/C10H7BrN2O/c11-1
    0-5-9(2-1-8(10)6-14)13-4-
    3-12-7-13/h1-7H;
    KDYPLUPJLQBYJO-UHFFFAOYSA-N    		 c1cc(c(cc1n2ccnc2)Br)C=O; Brc1cc(ccc1C=O
    )n2ccnc2    		 2-bromanyl-4-imidazol-1-yl-benzaldehyde
    38452
    UFI    		 2 C13 H9 N O4 InChI=1S/C13H9NO4/c1-18-1
    0-6-5-9-11-7(10)3-2-4-8(1
    1)12(15)14(17)13(9)16/h2-
    6,17H,1H3;
    JNZJPCRGQNFNFC-UHFFFAOYSA-N    		 COc1ccc2c3c1cccc3C(=O)N(C2=O)O; COc1ccc2
    C(=O)N(O)C(=O)c3cccc1c23    		 6-methoxy-2-oxidanyl-benzo[de]isoquinoline-1,3-dione
    38453
    UFJ
    CHEMBL1091578
    ZINC000049073018    		 4 C14 H19 I N2 O3 InChI=1S/C14H19IN2O3/c15-
    11-7-9-12(10-8-11)16-13(1
    8)5-3-1-2-4-6-14(19)17-20
    /h7-10,20H,1-6H2,(H,16,18
    )(H,17,19);
    BYVHZKAHBXINPL-UHFFFAOYSA-N    		 c1c(ccc(c1)NC(CCCCCCC(=O)NO)=O)I; c1cc(c
    cc1NC(=O)CCCCCCC(=O)NO)I; ONC(=O)CCCCCCC
    (=O)Nc1ccc(I)cc1    		 N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide
    38454
    UFK
    CHEMBL540956    		 2 C45 H36 O18 InChI=1S/C45H36O18/c46-18
    -10-27(54)33-31(11-18)62-
    45(17-3-6-22(49)26(53)9-1
    7)44(59)38(33)36-32(63-45
    )14-29(56)35-37(39(58)41(
    61-43(35)36)16-2-5-21(48)
    25(52)8-16)34-28(55)13-23
    (50)19-12-30(57)40(60-42(
    19)34)15-1-4-20(47)24(51)
    7-15/h1-11,13-14,30,37-41
    ,44,46-59H,12H2/t30-,37+,
    38-,39-,40-,41-,44-,45+/m
    1/s1;
    BYSRPHRKESMCPO-LQNPQWRQSA-N    		 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[
    C@H]4c5c(cc6c(c5O[C@@H]([C@@H]4O)c7ccc(c
    (c7)O)O)[C@H]8c9c(cc(cc9O[C@]([C@@H]8O)(
    O6)c1ccc(c(c1)O)O)O)O)O)O)O)O)O)O; O[CH]
    1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](Oc4c3c(O
    )cc5O[C]6(Oc7cc(O)cc(O)c7[CH]([CH]6O)c45
    )c8ccc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[CH]1c
    %10ccc(O)c(O)c%10; O[C@@H]1Cc2c(O)cc(O)c
    ([C@@H]3[C@@H](O)[C@H](Oc4c3c(O)cc5O[C@@
    ]6(Oc7cc(O)cc(O)c7[C@@H]([C@H]6O)c45)c8c
    cc(O)c(O)c8)c9ccc(O)c(O)c9)c2O[C@@H]1c%1
    0ccc(O)c(O)c%10; c1cc(c(cc1C2C(Cc3c(cc(c
    (c3O2)C4c5c(cc6c(c5OC(C4O)c7ccc(c(c7)O)O
    )C8c9c(cc(cc9OC(C8O)(O6)c1ccc(c(c1)O)O)O
    )O)O)O)O)O)O)O    		 Cinnamtannin B1;
    (1R,5R,6R,7S,13S,21R)-5,13-bis(3,4-dihydroxyphenyl)-7-[(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-8-yl]-4,12,14-trioxapentacyclo[11.7.1.02,11.03,8.015,20]henicosa-2(11),3(8),9,15,17,19-hexaene-6,9,17,19,21-pentol
    38455
    UFM
    CHEMBL227711
    DB02421    		 1 C15 H24 N2 O17 P2 InChI=1S/C15H24N2O17P2/c1
    8-3-5-8(20)10(22)12(24)14
    (32-5)33-36(28,29)34-35(2
    6,27)30-4-6-9(21)11(23)13
    (31-6)17-2-1-7(19)16-15(1
    7)25/h1-2,5-6,8-14,18,20-
    24H,3-4H2,(H,26,27)(H,28,
    29)(H,16,19,25)/t5-,6-,8-
    ,9-,10+,11-,12+,13-,14-/m
    1/s1;
    HSCJRCZFDFQWRP-NYYOCOOHSA-N    		 OC[C@H]1O[C@H](O[P@@](O)(=O)O[P@@](O)(=O
    )OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)N3C=CC(
    =O)NC3=O)[C@@H](O)[C@@H](O)[C@@H]1O; C1=
    CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)(O)O[P@@](=O)(O)O[C@@H]3[C
    @H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O;
    OC[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH
    ]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[C
    H](O)[CH](O)[CH]1O; O=P(OC1OC(C(O)C(O)C1
    O)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)
    C(O)C3O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP
    (=O)(O)OP(=O)(O)OC3C(C(C(C(O3)CO)O)O)O)O
    )O    		 URIDINE-5'-DIPHOSPHATE-MANNOSE
    38456
    UFN    		 1 C45 H38 O18 InChI=1S/C45H38O18/c46-18
    -10-27(54)33-31(11-18)62-
    45(17-3-6-22(49)26(53)9-1
    7)44(59)38(33)36-32(63-45
    )14-29(56)35-37(39(58)41(
    61-43(35)36)16-2-5-21(48)
    25(52)8-16)34-28(55)13-23
    (50)19-12-30(57)40(60-42(
    19)34)15-1-4-20(47)24(51)
    7-15/h1-11,13,29-30,37-41
    ,44,46-59H,12,14H2/t29-,3
    0+,37-,38+,39+,40+,41+,44
    +,45-/m0/s1;
    GTLDPRJUMQNNPF-PUHQMIONSA-N    		 c1cc(c(cc1[C@@H]2[C@@H](Cc3c(cc(c(c3O2)[
    C@@H]4[C@H]([C@H](OC5=C4[C@H](CC6=C5[C@H
    ]7c8c(cc(cc8O[C@]([C@@H]7O)(O6)c9ccc(c(c
    9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O;
    c1cc(c(cc1C2C(Cc3c(cc(c(c3O2)C4C(C(OC5=C
    4C(CC6=C5C7c8c(cc(cc8OC(C7O)(O6)c9ccc(c(
    c9)O)O)O)O)O)c1ccc(c(c1)O)O)O)O)O)O)O)O;
    O[CH]1Cc2c(O)cc(O)c([CH]3[CH](O)[CH](OC
    4=C3[CH](O)CC5=C4[CH]6[CH](O)[C](O5)(Oc7
    cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(O)c(O
    )c9)c2O[CH]1c%10ccc(O)c(O)c%10; O[C@@H]1
    Cc2c(O)cc(O)c([C@@H]3[C@@H](O)[C@H](OC4=
    C3[C@@H](O)CC5=C4[C@@H]6[C@@H](O)[C@](O5
    )(Oc7cc(O)cc(O)c67)c8ccc(O)c(O)c8)c9ccc(
    O)c(O)c9)c2O[C@@H]1c%10ccc(O)c(O)c%10    		 Modified form of Cinnamtannin B1 with sp3 hybridized C5';
    Cca6
    38457
    UFO
    DB08685
    ZINC000004200686    		 4 C11 H17 N3 InChI=1S/C11H17N3/c1-13-5
    -6-14(2)11-7-9(8-12)3-4-1
    0(11)13/h3-4,7H,5-6,8,12H
    2,1-2H3;
    TWGYATHIWDUKGY-UHFFFAOYSA-N    		 CN1CCN(c2c1ccc(c2)CN)C; CN1CCN(C)c2cc(CN
    )ccc12; c2c(cc1c(N(CCN1C)C)c2)CN    		 1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine
    38458
    UFP
    CHEMBL886
    DB03761
    ZINC000003875881    		 228 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    4-2-12(9(15)11-8(4)14)7-1
    -5(13)6(20-7)3-19-21(16,1
    7)18/h2,5-7,13H,1,3H2,(H,
    11,14,15)(H2,16,17,18)/t5
    -,6+,7+/m0/s1;
    HFEKDTCAMMOLQP-RRKCRQDMSA-N    		 C1C(C(OC1N2C=C(C(=O)NC2=O)F)COP(=O)(O)O)
    O; C1[C@@H]([C@H](O[C@H]1N2C=C(C(=O)NC2=
    O)F)COP(=O)(O)O)O; O[CH]1C[CH](O[CH]1CO[
    P](O)(O)=O)N2C=C(F)C(=O)NC2=O; FC=1C(=O)
    NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O; O[C
    @H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=C(
    F)C(=O)NC2=O    		 5-FLUORO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
    38459
    UFQ    		 4 C9 H16 N3 O13 P3 S InChI=1S/C9H16N3O13P3S/c1
    0-5-1-2-12(9(15)11-5)8-7(
    14)6(13)4(23-8)3-22-26(16
    ,17)24-27(18,19)25-28(20,
    21)29/h1-2,4,6-8,13-14H,3
    H2,(H,16,17)(H,18,19)(H2,
    10,11,15)(H2,20,21,29)/t4
    -,6-,7-,8-/m1/s1;
    BMMOFBYKCSBIJP-XVFCMESISA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    =O)O[P](O)(=O)O[P](O)(S)=O)[C@@H](O)[C@H
    ]2O; NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O
    )(=O)O[P](O)(=O)O[P](O)(S)=O)[CH](O)[CH]
    2O; C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(
    O)OP(=O)(O)OP(=O)(O)S)O)O; C1=CN(C(=O)N=
    C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)
    (O)OP(=O)(O)OP(=O)(O)S)O)O    		 Cytosine 5'-[gamma-thio]triphosphate;
    [[[(2R,3S,4R,5R)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-sulfanyl-phosphinic acid
    38460
    UFR
    CHEMBL1236552    		 0 C10 H13 N2 O9 P InChI=1S/C10H13N2O9P/c13-
    3-5-2-12(10(16)11-9(5)15)
    8-1-6(14)7(21-8)4-20-22(1
    7,18)19/h2-3,6-8,14H,1,4H
    2,(H,11,15,16)(H2,17,18,1
    9)/t6-,7+,8+/m0/s1;
    LVYWYEBCBRVIEG-XLPZGREQSA-N    		 O=CC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=
    O)(O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(
    O)=O)N2C=C(C=O)C(=O)NC2=O; C1[C@@H]([C@H
    ](O[C@H]1N2C=C(C(=O)NC2=O)C=O)COP(=O)(O)
    O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2C
    =C(C=O)C(=O)NC2=O; C1C(C(OC1N2C=C(C(=O)N
    C2=O)C=O)COP(=O)(O)O)O    		 2'-DEOXY-5-FORMYLURIDINE 5'-(DIHYDROGEN PHOSPHATE)
    38461
    UFS
    ZINC000071746269    		 1 C27 H31 N3 O5 InChI=1S/C27H31N3O5/c1-2-
    3-6-9-24(31)28-22-16-12-2
    0(13-17-22)27(34)21-14-18
    -23(19-15-21)29-25(32)10-
    7-4-5-8-11-26(33)30-35/h1
    ,12-19,35H,3-11H2,(H,28,3
    1)(H,29,32)(H,30,33);
    VHTATGLVGGHVIS-UHFFFAOYSA-N    		 C#CCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(cc2)NC(
    =O)CCCCCCC(=O)NO; c1cc(NC(CCCCCCC(NO)=O)
    =O)ccc1C(c2ccc(cc2)NC(CCCC#C)=O)=O; ONC(
    =O)CCCCCCC(=O)Nc1ccc(cc1)C(=O)c2ccc(NC(=
    O)CCCC#C)cc2    		 N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide
    38462
    UFT
    CHEMBL253539
    ZINC000013604346    		 5 C9 H12 F N2 O8 P InChI=1S/C9H12FN2O8P/c10-
    6-7(14)4(3-19-21(16,17)18
    )20-8(6)12-2-1-5(13)11-9(
    12)15/h1-2,4,6-8,14H,3H2,
    (H,11,13,15)(H2,16,17,18)
    /t4-,6-,7-,8-/m1/s1;
    RTGGYPQTXNSBPD-XVFCMESISA-N    		 O[CH]1[CH](F)[CH](O[CH]1CO[P](O)(O)=O)N2
    C=CC(=O)NC2=O; O=P(O)(O)OCC2OC(N1C(=O)NC
    (=O)C=C1)C(F)C2O; C1=CN(C(=O)NC1=O)[C@H]
    2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)F;
    O[C@H]1[C@@H](F)[C@@H](O[C@@H]1CO[P](O)
    (O)=O)N2C=CC(=O)NC2=O; C1=CN(C(=O)NC1=O)
    C2C(C(C(O2)COP(=O)(O)O)O)F    		 2'-deoxy-2'-fluorouridine 5'-(dihydrogen phosphate)
    38463
    UFU    		 4 C41 H50 Co N6 O5 S InChI=1S/C41H52N6O5S.Co/c
    1-40(2,3)28-13-9-11-26(36
    (28)49)22-44-30-18-17-25(
    21-31(30)45-23-27-12-10-1
    4-29(37(27)50)41(4,5)6)38
    (51)43-20-19-42-34(48)16-
    8-7-15-33-35-32(24-53-33)
    46-39(52)47-35;/h9-14,17-
    18,21-23,32-33,35H,7-8,15
    -16,19-20,24H2,1-6H3,(H6,
    42,43,44,45,46,47,48,49,5
    0,51,52);/q;+2/p-2/t32-,3
    3-,35-;/m0./s1;
    GGMGBRLOTHARHT-SZKYPABLSA-L    		 CC(C)(C)c1cccc2c1O[Co]34=[N](C=C5C=CC=C(
    C5=O3)C(C)(C)C)c6cc(ccc6[N]4=C2)C(=O)NCC
    NC(=O)CCCCC7C8C(CS7)NC(=O)N8; CC(C)(C)C1
    =CC=CC(=CNc2cc(ccc2N=Cc3cccc(c3O[Co])C(C
    )(C)C)C(=O)NCCNC(=O)CCCC[CH]4SC[CH]5NC(=
    O)N[CH]45)C1=O; CC(C)(C)c1cccc2c1O[Co]34
    =[N](C=C5C=CC=C(C5=O3)C(C)(C)C)c6cc(ccc6
    [N]4=C2)C(=O)NCCNC(=O)CCCC[C@H]7[C@@H]8[
    C@H](CS7)NC(=O)N8; CC(C)(C)C1=CC=CC(=CNc
    2cc(ccc2N=Cc3cccc(c3O[Co])C(C)(C)C)C(=O)
    NCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H
    ]45)C1=O    		 cobalt Streptavidin
    38464
    UFV
    ZINC000000152846    		 1 C7 H6 Br F3 N2 InChI=1S/C7H6BrF3N2/c8-4-
    1-3(7(9,10)11)2-5(12)6(4)
    13/h1-2H,12-13H2;
    OVGAPUVMLZWQQF-UHFFFAOYSA-N    		 c1c(cc(c(c1N)N)Br)C(F)(F)F; Nc1cc(cc(Br)
    c1N)C(F)(F)F    		 3-BROMO-5-(TRIFLUOROMETHYL)BENZENE-1,2-DIAMINE
    38465
    UFW    		 2 C32 H43 Au N5 O2 S InChI=1S/C32H43N5O2S.Au/c
    1-19-11-21(3)30(22(4)12-1
    9)36-16-25(37(18-36)31-23
    (5)13-20(2)14-24(31)6)15-
    33-28(38)10-8-7-9-27-29-2
    6(17-40-27)34-32(39)35-29
    ;/h11-14,25-27,29H,7-10,1
    5-17H2,1-6H3,(H,33,38)(H2
    ,34,35,39);/t25-,26-,27-,
    29-;/m0./s1;
    MQANASQMIINTPK-INIVJQHFSA-N    		 Cc1cc(c(c(c1)C)N2C[C@@H](N(C2=[Au])c3c(c
    c(cc3C)C)C)CNC(=O)CCCC[C@H]4[C@@H]5[C@H]
    (CS4)NC(=O)N5)C; Cc1cc(c(c(c1)C)N2CC(N(C
    2=[Au])c3c(cc(cc3C)C)C)CNC(=O)CCCCC4C5C(
    CS4)NC(=O)N5)C; Cc1cc(C)c(N2C[C@H](CNC(=
    O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@H]34)N(C
    2=[Au])c5c(C)cc(C)cc5C)c(C)c1; Cc1cc(C)c
    (N2C[CH](CNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[
    CH]34)N(C2=[Au])c5c(C)cc(C)cc5C)c(C)c1    		 ((4S)-1,3-dimesityl-4-((5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamido)methyl)imidazolidin-2-yl)gold;
    [(4~{S})-4-[[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]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold;
    [(4S)-4-[[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-1,3-bis(2,4,6-trimethylphenyl)imidazolidin-2-ylidene]gold
    38466
    UFX    		 1 C19 H18 F2 N2 O4 InChI=1S/C19H18F2N2O4/c1-
    19(26,18(20)21)15(17(25)2
    3-27)22-16(24)14-10-8-13(
    9-11-14)5-3-2-4-12-6-7-12
    /h8-12,15,18,26-27H,6-7H2
    ,1H3,(H,22,24)(H,23,25)/t
    15-,19+/m1/s1;
    NPTNDHDCCLLFJE-BEFAXECRSA-N    		 FC(F)C(C)(O)C(NC(=O)c1ccc(cc1)C#CC#CC1CC
    1)C(=O)NO; CC(C(C(=O)NO)NC(=O)c1ccc(cc1)
    C#CC#CC2CC2)(C(F)F)O; C[C@@](O)(C(F)F)[C
    @H](NC(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO;
    C[C@]([C@@H](C(=O)NO)NC(=O)c1ccc(cc1)C#
    CC#CC2CC2)(C(F)F)O; C[C](O)(C(F)F)[CH](N
    C(=O)c1ccc(cc1)C#CC#CC2CC2)C(=O)NO    		 4-(4-cyclopropylbuta-1,3-diyn-1-yl)-N-[(2S,3S)-4,4-difluoro-3-hydroxy-1-(hydroxyamino)-3-methyl-1-oxobutan-2-yl]benzamide
    38467
    UFY
    CHEMBL4858320
    ZINC000169993369    		 2 C19 H25 B N4 O4 InChI=1S/C19H25BN4O4/c1-1
    3(2)10-17(20(27)28)24-18(
    25)15(11-14-6-4-3-5-7-14)
    23-19(26)16-12-21-8-9-22-
    16/h3-9,12-13,15,17,27-28
    H,10-11H2,1-2H3,(H,23,26)
    (H,24,25)/t15-,17+/m1/s1;
    GXJABQQUPOEUTA-WBVHZDCISA-N    		 CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)c2
    cnccn2)B(O)O; B(C(CC(C)C)NC(=O)C(Cc1cccc
    c1)NC(=O)c2cnccn2)(O)O; CC(C)C[C@H](NC(=
    O)[C@@H](Cc1ccccc1)NC(=O)c2cnccn2)B(O)O;
    B([C@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)N
    C(=O)c2cnccn2)(O)O; c1cncc(n1)C(NC(Cc2cc
    ccc2)C(=O)NC(CC(C)C)B(O)O)=O    		 N-[(1R)-1-borono-3-methylbutyl]-Nalpha-(pyrazine-2-carbonyl)-D-phenylalaninamide
    38468
    UFZ    		 2 C7 H10 N InChI=1S/C7H9N/c8-6-7-4-2
    -1-3-5-7/h1-5H,6,8H2/p+1;
    WGQKYBSKWIADBV-UHFFFAOYSA-O    		 c1ccc(cc1)C[NH3+]; [NH3+]Cc1ccccc1 (phenylmethyl)azanium
    38469
    UG0    		 1 C14 H13 F N2 O InChI=1S/C14H13FN2O/c1-10
    -2-4-11(5-3-10)8-17-14(18
    )12-6-7-13(15)16-9-12/h2-
    7,9H,8H2,1H3,(H,17,18);
    QKRGNSPFHXLCPB-UHFFFAOYSA-N    		 Cc1ccc(cc1)CNC(=O)c2ccc(nc2)F; Cc1ccc(CN
    C(=O)c2ccc(F)nc2)cc1    		 6-fluoranyl-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
    38470
    UG1
    CHEMBL4955084
    ZINC000170612076    		 0 C9 H9 N5 O InChI=1S/C9H9N5O/c10-8-7(
    9(11)15)13-5-14(8)6-1-3-1
    2-4-2-6/h1-5H,10H2,(H2,11
    ,15);
    JYYYJULWGCNUJZ-UHFFFAOYSA-N    		 c1cnccc1n2cnc(c2N)C(=O)N; NC(=O)c1ncn(c2
    ccncc2)c1N; C(c1ncn(c1N)c2ccncc2)(N)=O    		 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide
    38471
    UG2    		 1 C16 H14 N2 O InChI=1S/C16H14N2O/c19-12
    -13-6-8-15(9-7-13)18-11-1
    0-17-16(18)14-4-2-1-3-5-1
    4/h1-11,19H,12H2;
    SRMFZVQQLQNFMA-UHFFFAOYSA-N    		 OCc1ccc(cc1)n2ccnc2c3ccccc3; c1ccc(cc1)c
    2nccn2c3ccc(cc3)CO    		 [4-(2-phenylimidazol-1-yl)phenyl]methanol
    38472
    UG3    		 1 H7 O16 P5 InChI=1S/H7O16P5/c1-17(2,
    3)13-19(7,8)15-21(11,12)1
    6-20(9,10)14-18(4,5)6/h(H
    ,7,8)(H,9,10)(H,11,12)(H2
    ,1,2,3)(H2,4,5,6);
    QTPILKSJIOLICA-UHFFFAOYSA-N    		 OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)O; O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O[P](O)(=O)O[P](O)(O)=O    		 bis[oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate
    38473
    UG4
    ZINC000098209728    		 0 C9 H9 N5 O InChI=1S/C9H9N5O/c10-8-7(
    9(11)15)13-5-14(8)6-2-1-3
    -12-4-6/h1-5H,10H2,(H2,11
    ,15);
    WZVCHXNAUQIDJM-UHFFFAOYSA-N    		 c1cc(cnc1)n2cnc(c2N)C(=O)N; c1(cccnc1)n2
    c(c(nc2)C(N)=O)N; NC(=O)c1ncn(c2cccnc2)c
    1N    		 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide
    38474
    UG5    		 1 C11 H7 F3 N2 O InChI=1S/C11H7F3N2O/c12-1
    1(13,14)10-5-16(7-15-10)9
    -3-1-8(6-17)2-4-9/h1-7H;
    CZOGMUWEFPDSOJ-UHFFFAOYSA-N    		 FC(F)(F)c1cn(cn1)c2ccc(C=O)cc2; c1cc(ccc
    1C=O)n2cc(nc2)C(F)(F)F    		 4-[4-(trifluoromethyl)imidazol-1-yl]benzaldehyde
    38475
    UG6
    ZINC000004521105    		 1 C6 H11 N O3 S InChI=1S/C6H11NO3S/c1-4(8
    )7-5(3-11)6(9)10-2/h5,11H
    ,3H2,1-2H3,(H,7,8)/t5-/m0
    /s1;
    QTKAQJWFVXPIFV-YFKPBYRVSA-N    		 COC(=O)[CH](CS)NC(C)=O; COC(=O)[C@H](CS)
    NC(C)=O; COC(=O)C(NC(=O)C)CS; CC(=O)N[C@
    @H](CS)C(=O)OC; CC(=O)NC(CS)C(=O)OC    		 methyl N-acetyl-L-cysteinate
    38476
    UG7
    CHEMBL5077328    		 1 C26 H28 F3 N5 O3 S2 InChI=1S/C26H28F3N5O3S2/c
    27-26(28,29)39(36,37)33-8
    -6-20(7-9-33)34-15-22(17-
    2-1-3-18(11-17)24(30)38)2
    1-5-4-16(10-23(21)34)12-3
    2-25(35)19-13-31-14-19/h1
    -5,10-11,15,19-20,31H,6-9
    ,12-14H2,(H2,30,38)(H,32,
    35);
    WDQKQCWRQIVDBA-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=S)N)c2cn(c3c2ccc(c3)CNC(=O
    )C4CNC4)C5CCN(CC5)S(=O)(=O)C(F)(F)F; NC(
    =S)c1cccc(c1)c2cn(C3CCN(CC3)[S](=O)(=O)C
    (F)(F)F)c4cc(CNC(=O)C5CNC5)ccc24; c1cc(c
    c(c1)c5c2c(cc(cc2)CNC(C3CNC3)=O)n(C4CCN(
    CC4)S(C(F)(F)F)(=O)=O)c5)C(N)=S    		 N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide
    38477
    UG8
    ZINC000032501227    		 1 C12 H15 N O3 S InChI=1S/C12H15NO3S/c14-1
    0-11-4-6-12(7-5-11)17(15,
    16)13-8-2-1-3-9-13/h4-7,1
    0H,1-3,8-9H2;
    KUSDDEPOUVZOCG-UHFFFAOYSA-N    		 c1cc(ccc1C=O)S(=O)(=O)N2CCCCC2; O=Cc1ccc
    (cc1)[S](=O)(=O)N2CCCCC2    		 4-piperidin-1-ylsulfonylbenzaldehyde
    38478
    UG9    		 2 C15 H20 I N5 O5 S InChI=1S/C15H20IN5O5S/c16
    -6-3-21(13-9(6)12(18)19-5
    -20-13)14-11(23)10(22)8(2
    6-14)4-27-2-1-7(17)15(24)
    25/h3,5,7-8,10-11,14,22-2
    3H,1-2,4,17H2,(H,24,25)(H
    2,18,19,20)/t7-,8+,10+,11
    +,14+/m0/s1;
    KWPUSSSCXHTEIW-TWBCTODHSA-N    		 N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O)n2cc(I)c3c(N)ncnc23)C(O)=O; c1c(c2c(nc
    nc2n1C3C(C(C(O3)CSCCC(C(=O)O)N)O)O)N)I;
    c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)CSCC[C@@H](C(=O)O)N)O)O)N)I; N[CH](C
    CSC[CH]1O[CH]([CH](O)[CH]1O)n2cc(I)c3c(N
    )ncnc23)C(O)=O    		 (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-iodanyl-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid
    38479
    UGA
    CHEMBL228057
    DB03041
    ZINC000008215691    		 71 C15 H22 N2 O18 P2 InChI=1S/C15H22N2O18P2/c1
    8-5-1-2-17(15(26)16-5)12-
    9(22)6(19)4(32-12)3-31-36
    (27,28)35-37(29,30)34-14-
    10(23)7(20)8(21)11(33-14)
    13(24)25/h1-2,4,6-12,14,1
    9-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,16,18,26)/
    t4-,6-,7+,8+,9-,10-,11+,1
    2-,14-/m1/s1;
    HDYANYHVCAPMJV-LXQIFKJMSA-N    		 O=C(O)C3OC(OP(=O)(O)OP(=O)(O)OCC2OC(N1C(
    =O)NC(=O)C=C1)C(O)C2O)C(O)C(O)C3O; O[CH]
    1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[P](O)
    (=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2
    O)N3C=CC(=O)NC3=O; C1=CN(C(=O)NC1=O)[C@H
    ]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)O
    [P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@@H](
    [C@H](O3)C(=O)O)O)O)O)O)O; O[C@@H]1[C@@H
    ](O)[C@H](O[C@@H]([C@H]1O)C(O)=O)O[P@@](
    O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H](
    O)[C@@H]2O)N3C=CC(=O)NC3=O; C1=CN(C(=O)N
    C1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(
    C(C(C(O3)C(=O)O)O)O)O)O)O    		 URIDINE-5'-DIPHOSPHATE-GLUCURONIC ACID;
    UDP-GLUCURONIC ACID
    38480
    UGB
    ZINC000008551198    		 9 C15 H22 N2 O18 P2 InChI=1S/C15H22N2O18P2/c1
    8-5-1-2-17(15(26)16-5)12-
    9(22)6(19)4(32-12)3-31-36
    (27,28)35-37(29,30)34-14-
    10(23)7(20)8(21)11(33-14)
    13(24)25/h1-2,4,6-12,14,1
    9-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,16,18,26)/
    t4-,6-,7+,8-,9-,10-,11+,1
    2-,14-/m1/s1;
    HDYANYHVCAPMJV-GXNRKQDOSA-N    		 O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)O[
    P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)
    [CH]2O)N3C=CC(=O)NC3=O; O[C@@H]1[C@@H](O
    )[C@H](O[C@@H]([C@@H]1O)C(O)=O)O[P](O)(=
    O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@
    H]2O)N3C=CC(=O)NC3=O; C1=CN(C(=O)NC1=O)C
    2C(C(C(O2)COP(=O)(O)OP(=O)(O)OC3C(C(C(C(
    O3)C(=O)O)O)O)O)O)O; C1=CN(C(=O)NC1=O)[C
    @H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O
    )O[P@@](=O)(O)O[C@@H]3[C@@H]([C@H]([C@H]
    ([C@H](O3)C(=O)O)O)O)O)O)O; O=C1C=CN(C(=
    O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C
    (=O)O)C(O)C(O)C3O)O)O    		 (2S,3R,4S,5R,6R)-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4,5-trihydroxy-oxane-2-carboxylic acid
    38481
    UGC
    ZINC000094437740    		 4 C3 H6 N2 O4 InChI=1S/C3H6N2O4/c4-3(9)
    5-1(6)2(7)8/h1,6H,(H,7,8)
    (H3,4,5,9)/t1-/m0/s1;
    NWZYYCVIOKVTII-SFOWXEAESA-N    		 O=C(O)C(O)NC(=O)N; NC(=O)N[C@@H](O)C(O)=
    O; C(C(=O)O)(NC(=O)N)O; [C@H](C(=O)O)(NC
    (=O)N)O; NC(=O)N[CH](O)C(O)=O    		 (2S)-(carbamoylamino)(hydroxy)ethanoic acid;
    (S)-Ureidoglycolate
    38482
    UGD    		 1 C15 H14 N4 O3 InChI=1S/C15H14N4O3/c20-1
    3(4-10-7-16-9-17-8-10)18-
    11-2-1-3-12(5-11)22-15-6-
    14(21)19-15/h1-3,5,7-9,15
    H,4,6H2,(H,18,20)(H,19,21
    )/t15-/m1/s1;
    SGVQMOZIVBYLOT-OAHLLOKOSA-N    		 c1cc(cc(c1)OC2CC(=O)N2)NC(=O)Cc3cncnc3;
    c1cc(cc(c1)O[C@@H]2CC(=O)N2)NC(=O)Cc3cnc
    nc3; n1cncc(c1)CC(Nc3cccc(OC2NC(C2)=O)c3
    )=O; O=C1C[C@H](N1)Oc2cccc(NC(=O)Cc3cncn
    c3)c2; O=C1C[CH](N1)Oc2cccc(NC(=O)Cc3cnc
    nc3)c2    		 N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide
    38483
    UGE    		 1 C16 H15 N O3 S InChI=1S/C16H15NO3S/c18-1
    2-13-7-9-15(10-8-13)21(19
    ,20)17-11-3-5-14-4-1-2-6-
    16(14)17/h1-2,4,6-10,12H,
    3,5,11H2;
    DGDWAMQMUQVWBK-UHFFFAOYSA-N    		 c1ccc2c(c1)CCCN2S(=O)(=O)c3ccc(cc3)C=O;
    O=Cc1ccc(cc1)[S](=O)(=O)N2CCCc3ccccc23    		 4-(3,4-dihydro-2~{H}-quinolin-1-ylsulfonyl)benzaldehyde
    38484
    UGF    		 2 C15 H21 F N2 O17 P2 InChI=1S/C15H21FN2O17P2/c
    16-6-8(21)10(23)14(33-11(
    6)13(24)25)34-37(29,30)35
    -36(27,28)31-3-4-7(20)9(2
    2)12(32-4)18-2-1-5(19)17-
    15(18)26/h1-2,4,6-12,14,2
    0-23H,3H2,(H,24,25)(H,27,
    28)(H,29,30)(H,17,19,26)/
    t4-,6+,7-,8+,9-,10-,11+,1
    2-,14-/m1/s1;
    LVBLRZZISSCAOI-CTMYAEKBSA-N    		 C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)O[C@@H]3[C@@H](
    [C@H]([C@@H]([C@H](O3)C(=O)O)F)O)O)O)O;
    O[C@@H]1[C@@H](O)[C@H](O[C@@H]([C@H]1F)C
    (O)=O)O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@
    H]([C@H](O)[C@@H]2O)N3C=CC(=O)NC3=O; C1=
    CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O
    )(O)OC3C(C(C(C(O3)C(=O)O)F)O)O)O)O; O[CH
    ]1[CH](O)[CH](O[CH]([CH]1F)C(O)=O)O[P](O
    )(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]
    2O)N3C=CC(=O)NC3=O    		 (2~{R},3~{S},4~{R},5~{R},6~{R})-6-[[[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidany l)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3-fluoranyl-4,5-bis(oxidanyl)oxane-2-carboxylic acid;
    UDP-4-Deoxy-4-Fluoro-Glucuronic acid
    38485
    UGG    		 1 C17 H14 N2 O InChI=1S/C17H14N2O/c20-17
    (19-15-7-2-1-3-8-15)10-14
    -12-18-11-13-6-4-5-9-16(1
    3)14/h1-9,11-12H,10H2,(H,
    19,20);
    XBRJTBLYIAYTOZ-UHFFFAOYSA-N    		 O=C(Cc1cncc2ccccc12)Nc3ccccc3; N(c1ccccc
    1)C(=O)Cc2c3c(cnc2)cccc3; c1ccc(cc1)NC(=
    O)Cc2cncc3c2cccc3    		 2-(isoquinolin-4-yl)-N-phenylacetamide
    38486
    UGH
    CHEMBL1201382
    ZINC000004097420    		 1 C5 H14 N2 S InChI=1S/C5H14N2S/c6-2-1-
    3-7-4-5-8/h7-8H,1-6H2;
    YHPLKWQJMAYFCN-UHFFFAOYSA-N    		 NCCCNCCS; C(CN)CNCCS WR-1065
    38487
    UGI    		 2 C18 H21 F3 N6 O InChI=1S/C18H21F3N6O/c19-
    18(20,21)13-9-15(22)23-11
    -12(13)14-10-16(26-5-7-28
    -8-6-26)25-17(24-14)27-3-
    1-2-4-27/h9-11H,1-8H2,(H2
    ,22,23);
    FOSBFIXEYMDXIL-UHFFFAOYSA-N    		 Nc1cc(c(cn1)c2cc(nc(n2)N3CCCC3)N4CCOCC4)
    C(F)(F)F; c1c(c(cnc1N)c2cc(nc(n2)N3CCCC3
    )N4CCOCC4)C(F)(F)F    		 5-(6-morpholin-4-yl-2-pyrrolidin-1-yl-pyrimidin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
    38488
    UGJ
    CHEMBL2313832
    ZINC000095595974    		 1 C15 H8 Cl N5 S InChI=1S/C15H8ClN5S/c16-9
    -4-2-1-3-7(9)11-8(5-17)14
    (20)21-15-12(11)13(19)10(
    6-18)22-15/h1-4H,19H2,(H2
    ,20,21);
    ZYCDWPCMXHYGRS-UHFFFAOYSA-N    		 Clc3ccccc3c1c(C#N)c(nc2sc(C#N)c(c12)N)N;
    c1ccc(c(c1)c2c(c(nc3c2c(c(s3)C#N)N)N)C#
    N)Cl; Nc1nc2sc(C#N)c(N)c2c(c3ccccc3Cl)c1
    C#N    		 3,6-Diamino-4-(2-chlorophenyl)thieno[2,3-b]pyridine-2,5-dicarbonitrile
    38489
    UGK
    CHEMBL5314413    		 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
    38490
    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
    38491
    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
    38492
    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
    38493
    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
    38494
    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
    38495
    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
    38496
    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
    38497
    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
    38498
    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
    38499
    UGU
    CHEMBL815
    DB12789
    ZINC000003830709    		 2 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
    38500
    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
    38501
    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
    38502
    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
    38503
    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
    38504
    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
    38505
    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
    38506
    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
    38507
    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
    38508
    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
    38509
    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
    38510
    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
    38511
    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
    38512
    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
    38513
    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
    38514
    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
    38515
    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
    38516
    UHB    		 25 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
    38517
    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
    38518
    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
    38519
    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
    38520
    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
    38521
    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
    38522
    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
    38523
    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
    38524
    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
    38525
    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
    38526
    UHL    		 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
    38527
    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
    38528
    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
    38529
    UHO    		 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
    38530
    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
    38531
    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
    38532
    UHR    		 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
    38533
    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
    38534
    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
    38535
    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
    38536
    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
    38537
    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
    38538
    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
    38539
    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
    38540
    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
    38541
    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
    38542
    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
    38543
    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
    38544
    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
    38545
    UI4    		 6 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
    38546
    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
    38547
    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)
    38548
    UI7    		 9 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
    38549
    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
    38550
    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
    38551
    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
    38552
    UIC    		 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
    38553
    UID    		 6 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
    38554
    UIE    		 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
    38555
    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
    38556
    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
    38557
    UII    		 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
    38558
    UIJ    		 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
    38559
    UIK    		 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
    38560
    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
    38561
    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
    38562
    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
    38563
    UIO    		 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
    38564
    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
    38565
    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
    38566
    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
    38567
    UIS    		 3 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
    38568
    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
    38569
    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
    38570
    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
    38571
    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
    38572
    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
    38573
    UIY    		 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    		 1-[4-[2-[[5-(ethoxymethyl)-2-methyl-phenyl]amino]-1,3-oxazol-5-yl]phenyl]imidazolidin-2-one
    38574
    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
    38575
    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
    38576
    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
    38577
    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
    38578
    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
    38579
    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
    38580
    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
    38581
    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
    38582
    UJ7    		 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
    38583
    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
    38584
    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)
    38585
    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
    38586
    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
    38587
    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
    38588
    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
    38589
    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
    38590
    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
    38591
    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)
    38592
    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
    38593
    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
    38594
    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
    38595
    UJK
    ZINC000036666764    		 3 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
    38596
    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
    38597
    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
    38598
    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
    38599
    UJO    		 6 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
    38600
    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
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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