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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    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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