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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
    26201 KKX 3 C17 H28 N3 O10 P InChI=1S/C17H28N3O10P/c1-
    9-16(24)12(11(5-18-9)8-30
    -31(27,28)29)6-19-14(7-21
    )15(23)4-3-13(17(25)26)20
    -10(2)22/h5,13-15,19,21,2
    3-24H,3-4,6-8H2,1-2H3,(H,
    20,22)(H,25,26)(H2,27,28,
    29)/t13-,14-,15-/m0/s1;
    FNGADGGFBAIBRP-KKUMJFAQSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](CO)[C@
    H](CC[C@@H](C(=O)O)NC(=O)C)O)O; CC(=O)N[
    CH](CC[CH](O)[CH](CO)NCc1c(O)c(C)ncc1CO[
    P](O)(O)=O)C(O)=O; Cc1c(c(c(cn1)COP(=O)(
    O)O)CNC(CO)C(CCC(C(=O)O)NC(=O)C)O)O; CC(
    =O)N[C@@H](CC[C@H](O)[C@H](CO)NCc1c(O)c(
    C)ncc1CO[P](O)(O)=O)C(O)=O    		 (2~{S},5~{S},6~{S})-2-acetamido-6-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-5,7-bis(oxidanyl)heptanoic acid;
    PLP-(5S,6S)-N2-acetyl-DADH
    26202 KKY
    CHEMBL4521220    		 2 C21 H28 F N3 InChI=1S/C21H28FN3/c1-15-
    10-19(24-21(23)11-15)7-5-
    16-12-17(14-18(22)13-16)6
    -8-20-4-3-9-25(20)2/h10-1
    4,20H,3-9H2,1-2H3,(H2,23,
    24)/t20-/m1/s1;
    LLEZATCTDGWSJC-HXUWFJFHSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCC
    N3C; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC
    CN3C; CN1CCC[C@@H]1CCc2cc(F)cc(CCc3cc(C)
    cc(N)n3)c2; c3(cc(CCC1N(CCC1)C)cc(CCc2cc
    (cc(N)n2)C)c3)F; CN1CCC[CH]1CCc2cc(F)cc(
    CCc3cc(C)cc(N)n3)c2    		 6-[2-(3-fluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26203 KKZ
    CHEMBL5172358    		 4 C25 H21 Cl F3 N5 O2 InChI=1S/C25H21ClF3N5O2/c
    26-18-9-7-17(8-10-18)23-2
    0(34-11-2-1-5-21(34)31-23
    )16-32-12-14-33(15-13-32)
    24(35)19-4-3-6-22(30-19)3
    6-25(27,28)29/h1-11H,12-1
    6H2;
    SIFMANNOUHDCIV-UHFFFAOYSA-N    		 c1ccn2c(c1)nc(c2CN3CCN(CC3)C(=O)c4cccc(n
    4)OC(F)(F)F)c5ccc(cc5)Cl; FC(F)(F)Oc1ccc
    c(n1)C(=O)N2CCN(CC2)Cc3n4ccccc4nc3c5ccc(
    Cl)cc5    		 [4-[[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-[6-(trifluoromethyloxy)pyridin-2-yl]methanone
    26204 KL0
    CHEMBL5189279    		 9 C11 H19 N3 InChI=1S/C11H19N3/c1-9-7-
    10(13-11(12)8-9)5-4-6-14(
    2)3/h7-8H,4-6H2,1-3H3,(H2
    ,12,13);
    UOGCIQPLIAZGRO-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCCN(C)C; Cc1cc(CCCN(C)C)n
    c(N)c1; CN(C)CCCc1cc(C)cc(N)n1    		 6-[3-(dimethylamino)propyl]-4-methylpyridin-2-amine
    26205 KL1
    CHEMBL4440481    		 4 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -9-16(23-18(22)10-13)7-6-
    15-11-14(5-4-8-24(2)3)12-
    17(20)19(15)21/h9-12H,4-8
    H2,1-3H3,(H2,22,23);
    IOUZWWFXRZKIKT-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
    ; c2(CCc1cc(C)cc(n1)N)cc(CCCN(C)C)cc(c2F
    )F; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCCN(C
    )C    		 6-(2-{5-[3-(dimethylamino)propyl]-2,3-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    26206 KL2 1 C10 H14 N5 O7 V InChI=1S/C10H11N5O4.3H2O.
    V/c11-8-5-9(13-2-12-8)15(
    3-14-5)10-7(18)6(17)4(1-1
    6)19-10;;;;/h2-4,6-7,10,1
    6H,1H2,(H2,11,12,13);3*1H
    2;/q-2;;;;+5/p-3/t4-,6-,7
    -,10-;;;;/m1..../s1;
    VVVFQERUKYCTSH-KWIZKVQNSA-K    		 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@H]4O
    [V](O)(O)(O)O[C@@H]34; c1nc(c2c(n1)n(cn2
    )C3C4C(C(O3)CO)O[V](O4)(O)(O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@H]4[C@@H]([C@H](O3)
    CO)O[V](O4)(O)(O)O)N; Nc1ncnc2n(cnc12)[C
    H]3O[CH](CO)[CH]4O[V](O)(O)(O)O[CH]34    		 adenosine-2',3'-vanadate;
    [(1~{R},5~{R},6~{R},8~{R})-8-(6-aminopurin-9-yl)-3,3,3-tris(oxidanyl)-2,4,7-trioxa-3$l^{5}-vanadabicyclo[3.3.0]octan-6-yl]methanol
    26207 KL3 1 C17 H15 Cl O2 InChI=1S/C17H15ClO2/c18-1
    4-8-6-11(7-9-14)13-5-4-12
    -2-1-3-15(17(19)20)16(12)
    10-13/h4-10,15H,1-3H2,(H,
    19,20)/t15-/m1/s1;
    HMSUYCUFTVOQJG-OAHLLOKOSA-N    		 OC(=O)[CH]1CCCc2ccc(cc12)c3ccc(Cl)cc3; c
    1cc(ccc1c2ccc3c(c2)C(CCC3)C(=O)O)Cl; OC(
    =O)[C@H]1CCCc2ccc(cc12)c3ccc(Cl)cc3; Clc
    1ccc(cc1)c1ccc2CCCC(c2c1)C(=O)O; c1cc(cc
    c1c2ccc3c(c2)[C@H](CCC3)C(=O)O)Cl    		 (1R)-7-(4-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
    26208 KL4
    CHEMBL4562481    		 13 C20 H26 F N3 InChI=1S/C20H26FN3/c1-14-
    9-19(24-20(22)10-14)7-5-1
    6-11-15(12-17(21)13-16)4-
    6-18-3-2-8-23-18/h9-13,18
    ,23H,2-8H2,1H3,(H2,22,24)
    /t18-/m1/s1;
    PTOVOAJZRWYLQM-GOSISDBHSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@H]3CCC
    N3; Cc1cc(N)nc(CCc2cc(F)cc(CC[C@H]3CCCN3
    )c2)c1; c1(nc(cc(c1)C)CCc2cc(cc(c2)F)CCC
    3NCCC3)N; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C
    CC3CCCN3; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3
    CCCN3)c2)c1    		 6-[2-(3-fluoro-5-{2-[(2S)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26209 KL5 1 C15 H16 B N2 O3 S InChI=1S/C15H16BN2O3S/c19
    -16(20)14-8-13(7-6-12(14)
    10-21-16)18-15(22)17-9-11
    -4-2-1-3-5-11/h1-8,19-20H
    ,9-10H2,(H2,17,18,22)/q-1;
    PURMMQOEOOZDEQ-UHFFFAOYSA-N    		 [B-]1(c2cc(ccc2CO1)NC(=S)NCc3ccccc3)(O)O
    ; O[B-]1(O)OCc2ccc(NC(=S)NCc3ccccc3)cc12    		 1-[7,7-bis(oxidanyl)-8-oxa-7-boranuidabicyclo[4.3.0]nona-1(6),2,4-trien-4-yl]-3-(phenylmethyl)thiourea
    26210 KL6 1 C12 H19 N3 O4 S2 InChI=1S/C12H19N3O4S2/c1-
    20(16,17)14-6-8-15-7-2-3-
    10-4-5-11(9-12(10)15)21(1
    3,18)19/h4-5,9,14H,2-3,6-
    8H2,1H3,(H2,13,18,19);
    QNNCYWWAACHETJ-UHFFFAOYSA-N    		 CS(=O)(=O)NCCN1CCCc2c1cc(cc2)S(=O)(=O)N;
    C[S](=O)(=O)NCCN1CCCc2ccc(cc12)[S](N)(=
    O)=O; NS(=O)(=O)c1ccc2CCCN(CCNS(C)(=O)=O
    )c2c1    		 1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide
    26211 KL7
    CHEMBL4578540    		 8 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -11-15(23-18(22)12-13)7-8
    -16-17(20)9-6-14(19(16)21
    )5-4-10-24(2)3/h6,9,11-12
    H,4-5,7-8,10H2,1-3H3,(H2,
    22,23);
    MXQLPMXQTGKLHB-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2c(ccc(c2F)CCCN(C)C)F;
    CN(C)CCCc1ccc(F)c(CCc2cc(C)cc(N)n2)c1F;
    CN(C)CCCc1c(c(c(cc1)F)CCc2cc(cc(n2)N)C)F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,6-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    26212 KL8 3 C16 H16 B O5 S InChI=1S/C16H16BO5S/c18-1
    6(19)13-8-4-7-12-9-14(17(
    20,21)22-15(12)13)23-10-1
    1-5-2-1-3-6-11/h1-8,14,20
    -21H,9-10H2,(H,18,19)/q-1
    /t14-/m1/s1;
    NCOFNSDHLWCKKT-CQSZACIVSA-N    		 [B-]1([C@@H](Cc2cccc(c2O1)C(=O)O)SCc3ccc
    cc3)(O)O; OC(=O)c1cccc2C[C@@H](SCc3ccccc
    3)[B-](O)(O)Oc12; [B-]1(C(Cc2cccc(c2O1)C
    (=O)O)SCc3ccccc3)(O)O; OC(=O)c1cccc2C[CH
    ](SCc3ccccc3)[B-](O)(O)Oc12    		 (3~{S})-2,2-bis(oxidanyl)-3-(phenylmethylsulfanyl)-3,4-dihydro-1,2-benzoxaborinin-2-ium-8-carboxylic acid
    26213 KL9 2 C23 H27 N5 O S InChI=1S/C23H27N5OS/c1-13
    -12-26-20-19(24)21(30-23(
    20)27-13)22(29)25-9-8-14-
    2-4-15(5-3-14)16-10-17-6-
    7-18(11-16)28-17/h2-5,12,
    16-18,28H,6-11,24H2,1H3,(
    H,25,29)/t16-,17-,18+;
    HYCWFJHZOMDKSR-NNZMDNLPSA-N    		 Cc1nc2sc(c(N)c2nc1)C(=O)NCCc1ccc(cc1)C1C
    C2CCC(N2)C1; Cc1cnc2c(N)c(sc2n1)C(=O)NCC
    c3ccc(cc3)[C@H]4C[C@@H]5CC[C@H](C4)N5; C
    c1cnc2c(c(sc2n1)C(=O)NCCc3ccc(cc3)C4CC5C
    CC(C4)N5)N; Cc1cnc2c(c(sc2n1)C(=O)NCCc3c
    cc(cc3)C4C[C@H]5CC[C@@H](C4)N5)N; Cc1cnc
    2c(N)c(sc2n1)C(=O)NCCc3ccc(cc3)[CH]4C[CH
    ]5CC[CH](C4)N5    		 7-amino-N-(2-{4-[(1R,3s,5S)-8-azabicyclo[3.2.1]octan-3-yl]phenyl}ethyl)-3-methylthieno[2,3-b]pyrazine-6-carboxamide
    26214 KLA
    CHEMBL4446153    		 8 C20 H25 F2 N3 InChI=1S/C20H25F2N3/c1-13
    -6-19(25-20(23)7-13)5-3-1
    5-8-14(9-16(21)10-15)2-4-
    18-11-17(22)12-24-18/h6-1
    0,17-18,24H,2-5,11-12H2,1
    H3,(H2,23,25)/t17-,18+/m0
    /s1;
    PNHNZORGNQGMRR-ZWKOTPCHSA-N    		 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3C[C@H](F
    )CN3)c2)c1; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH
    ]3C[CH](F)CN3)c2)c1; Cc1cc(nc(c1)N)CCc2c
    c(cc(c2)F)CCC3CC(CN3)F; Cc1cc(nc(c1)N)CC
    c2cc(cc(c2)F)CC[C@@H]3C[C@@H](CN3)F; c1(
    N)nc(cc(c1)C)CCc2cc(cc(c2)F)CCC3CC(CN3)F    		 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoropyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26215 KLB
    CHEMBL4633331    		 2 C14 H12 N4 S InChI=1S/C14H12N4S/c15-14
    (16)12-6-10(9-4-2-1-3-5-9
    )13(19-12)11-7-17-8-18-11
    /h1-8H,(H3,15,16)(H,17,18
    );
    FXABOLLAJZFHEL-UHFFFAOYSA-N    		 c1ccc(cc1)c2cc(sc2c3cnc[nH]3)C(=N)N; [H]
    /N=C(\c1cc(c(s1)c2cnc[nH]2)c3ccccc3)/N;
    NC(=N)c1sc(c2[nH]cnc2)c(c1)c3ccccc3    		 5-(1~{H}-imidazol-5-yl)-4-phenyl-thiophene-2-carboximidamide
    26216 KLC 1 C24 H44 O8 InChI=1S/C24H44O8/c1-7-16
    (14-25)11-15(2)19-12-17(3
    0-5)13-21(27)24(3,4)20(26
    )10-8-9-18(31-6)22(28)23(
    29)32-19/h11,16-22,25-28H
    ,7-10,12-14H2,1-6H3/b15-1
    1-/t16-,17-,18-,19+,20+,2
    1+,22+/m1/s1;
    QYFLRYFPHHCRNA-WFGCVQBFSA-N    		 CCC(CO)C=C(C)C1CC(CC(C(C(CCCC(C(C(=O)O1)
    O)OC)O)(C)C)O)OC; CC[C@@H](CO)/C=C(/C)\[
    C@@H]1C[C@H](C[C@@H](C([C@H](CCC[C@H]([C
    @@H](C(=O)O1)O)OC)O)(C)C)O)OC; CC[CH](CO
    )C=C(C)[CH]1C[CH](C[CH](O)C(C)(C)[CH](O)
    CCC[CH](OC)[CH](O)C(=O)O1)OC; CC[C@@H](C
    O)\C=C(C)/[C@@H]1C[C@H](C[C@H](O)C(C)(C)
    [C@@H](O)CCC[C@@H](OC)[C@H](O)C(=O)O1)OC    		 (3~{S},4~{R},8~{S},10~{S},12~{S},14~{S})-14-[(~{Z},4~{R})-4-(hydroxymethyl)hex-2-en-2-yl]-4,12-dimethoxy-9,9-dimethyl-3,8,10-tris(oxidanyl)-1-oxacyclotetradecan-2-one
    26217 KLD
    CHEMBL4474392    		 8 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -7-19(25-21(24)8-14)5-3-1
    5-9-16(11-17(22)10-15)4-6
    -20-12-18(23)13-26(20)2/h
    7-11,18,20H,3-6,12-13H2,1
    -2H3,(H2,24,25)/t18-,20+/
    m0/s1;
    ASCMQTSVWSFRKT-AZUAARDMSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@H]3C[
    C@@H](CN3C)F; CN1C[CH](F)C[CH]1CCc2cc(F)
    cc(CCc3cc(C)cc(N)n3)c2; Cc1cc(nc(c1)N)CC
    c2cc(cc(c2)F)CCC3CC(CN3C)F; CN1C[C@@H](F
    )C[C@H]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3)c2;
    c1(cc(cc(c1)CCc2cc(cc(n2)N)C)CCC3CC(CN3
    C)F)F    		 6-[2-(3-fluoro-5-{2-[(2R,4S)-4-fluoro-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26218 KLE 1 C11 H10 N2 S InChI=1S/C11H10N2S/c12-11
    (13)10-7-6-9(14-10)8-4-2-
    1-3-5-8/h1-7H,(H3,12,13);
    YQGXFGCWUBMBNN-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(s2)C(=N)N; NC(=N)c1sc(cc
    1)c2ccccc2; [H]/N=C(\c1ccc(s1)c2ccccc2)/
    N    		 5-phenylthiophene-2-carboximidamide
    26219 KLF
    ZINC000082068168    		 0 C5 H10 N2 O2 InChI=1S/C5H10N2O2/c6-5(9
    )4-1-3(8)2-7-4/h3-4,7-8H,
    1-2H2,(H2,6,9)/t3-,4+/m1/
    s1;
    OJSXAYGYRGXDSQ-DMTCNVIQSA-N    		 C1C(CNC1C(=O)N)O; C1[C@H](CN[C@@H]1C(=O)
    N)O; NC(=O)[C@@H]1C[C@@H](O)CN1; NC(=O)[
    CH]1C[CH](O)CN1    		 (2~{S},4~{R})-4-oxidanylpyrrolidine-2-carboxamide
    26220 KLG
    CHEMBL2385480
    ZINC000095920859    		 1 C10 H14 N2 O4 S InChI=1S/C10H14N2O4S/c13-
    10(12-14)8-11-17(15,16)7-
    6-9-4-2-1-3-5-9/h1-5,11,1
    4H,6-8H2,(H,12,13);
    CWDYQHCEZVYJNX-UHFFFAOYSA-N    		 c1ccc(cc1)CCS(=O)(=O)NCC(=O)NO; ONC(=O)C
    N[S](=O)(=O)CCc1ccccc1; O=C(NO)CNS(=O)(=
    O)CCc1ccccc1    		 N-hydroxy-N~2~-[(2-phenylethyl)sulfonyl]glycinamide
    26221 KLH
    CHEMBL2385481
    ZINC000095920858    		 1 C13 H18 N2 O4 S InChI=1S/C13H18N2O4S/c16-
    13(14-17)12-7-4-9-15(12)2
    0(18,19)10-8-11-5-2-1-3-6
    -11/h1-3,5-6,12,17H,4,7-1
    0H2,(H,14,16)/t12-/m1/s1;
    FTQOZDRDOVWSBK-GFCCVEGCSA-N    		 O=C(NO)C2N(S(=O)(=O)CCc1ccccc1)CCC2; c1c
    cc(cc1)CCS(=O)(=O)N2CCCC2C(=O)NO; c1ccc(
    cc1)CCS(=O)(=O)N2CCC[C@@H]2C(=O)NO; ONC(
    =O)[CH]1CCCN1[S](=O)(=O)CCc2ccccc2; ONC(
    =O)[C@H]1CCCN1[S](=O)(=O)CCc2ccccc2    		 N-hydroxy-1-[(2-phenylethyl)sulfonyl]-D-prolinamide
    26222 KLI
    CHEMBL1933568
    ZINC000073222785    		 4 C31 H26 F5 N5 O2 InChI=1S/C31H26F5N5O2/c1-
    39-9-11-40(12-10-39)27-16
    -26-22(15-25(27)33)29(42)
    23(30-37-28(43-38-30)13-1
    9-5-3-2-4-6-19)18-41(26)1
    7-20-7-8-21(14-24(20)32)3
    1(34,35)36/h2-8,14-16,18H
    ,9-13,17H2,1H3;
    BZDUJTPAUCQOHN-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(c(F)c1)CN4c6c(C(=O)C(c2nc(
    on2)Cc3ccccc3)=C4)cc(F)c(N5CCN(C)CC5)c6;
    CN1CCN(CC1)c2cc3N(Cc4ccc(cc4F)C(F)(F)F)
    C=C(C(=O)c3cc2F)c5noc(Cc6ccccc6)n5; CN1C
    CN(CC1)c2cc3c(cc2F)C(=O)C(=CN3Cc4ccc(cc4
    F)C(F)(F)F)c5nc(on5)Cc6ccccc6    		 3-(5-benzyl-1,2,4-oxadiazol-3-yl)-6-fluoro-1-[2-fluoro-4-(trifluoromethyl)benzyl]-7-(4-methylpiperazin-1-yl)quinolin-4(1H)-one
    26223 KLJ
    CHEMBL2385482
    ZINC000095921326    		 1 C11 H16 N2 O5 S InChI=1S/C11H16N2O5S/c1-1
    8-10-4-2-9(3-5-10)6-7-19(
    16,17)12-8-11(14)13-15/h2
    -5,12,15H,6-8H2,1H3,(H,13
    ,14);
    LMKSZZKXCRCXFM-UHFFFAOYSA-N    		 COc1ccc(cc1)CCS(=O)(=O)NCC(=O)NO; COc1cc
    c(CC[S](=O)(=O)NCC(=O)NO)cc1; O=C(NO)CNS
    (=O)(=O)CCc1ccc(OC)cc1    		 N-hydroxy-N~2~-{[2-(4-methoxyphenyl)ethyl]sulfonyl}glycinamide
    26224 KLK
    CHEMBL4783790    		 1 C12 H16 N2 O2 InChI=1S/C12H16N2O2/c1-7-
    10-8(5-3-4-6-9(10)15)11(1
    4-7)12(16)13-2/h14H,3-6H2
    ,1-2H3,(H,13,16);
    PZYBAQLWKWXUON-UHFFFAOYSA-N    		 Cc1c2c(c([nH]1)C(=O)NC)CCCCC2=O; CNC(=O)
    c1[nH]c(C)c2C(=O)CCCCc12    		 ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide
    26225 KLM 1 C26 H28 N6 O4 InChI=1S/C26H28N6O4/c1-31
    (2)14-20(33)15-36-21-10-7
    -18(8-11-21)28-26-27-13-2
    2-23(30-26)32(25(35)24(34
    )29-22)19-9-6-16-4-3-5-17
    (16)12-19/h6-13,20,33H,3-
    5,14-15H2,1-2H3,(H,29,34)
    (H,27,28,30)/t20-/m0/s1;
    FIEBLYFIDPTHGZ-FQEVSTJZSA-N    		 CN(C)C[C@@H](COc1ccc(cc1)Nc2ncc3c(n2)N(C
    (=O)C(=O)N3)c4ccc5c(c4)CCC5)O; CN(C)CC(C
    Oc5ccc(Nc4ncc1c(N(C(C(N1)=O)=O)c3cc2CCCc
    2cc3)n4)cc5)O; CN(C)CC(COc1ccc(cc1)Nc2nc
    c3c(n2)N(C(=O)C(=O)N3)c4ccc5c(c4)CCC5)O;
    CN(C)C[CH](O)COc1ccc(Nc2ncc3NC(=O)C(=O)
    N(c4ccc5CCCc5c4)c3n2)cc1; CN(C)C[C@H](O)
    COc1ccc(Nc2ncc3NC(=O)C(=O)N(c4ccc5CCCc5c
    4)c3n2)cc1    		 8-(2,3-dihydro-1H-inden-5-yl)-2-({4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl}amino)-5,8-dihydropteridine-6,7-dione
    26226 KLN
    CHEMBL295698
    DB05667
    ZINC000000643153    		 9 C26 H28 Cl2 N4 O4 InChI=1S/C26H28Cl2N4O4/c1
    -19(33)31-10-12-32(13-11-
    31)21-3-5-22(6-4-21)34-15
    -23-16-35-26(36-23,17-30-
    9-8-29-18-30)24-7-2-20(27
    )14-25(24)28/h2-9,14,18,2
    3H,10-13,15-17H2,1H3/t23-
    ,26-/m1/s1;
    XMAYWYJOQHXEEK-ZEQKJWHPSA-N    		 CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4cc
    nc4)(O3)c5ccc(Cl)cc5Cl)cc2; CC(=O)N1CCN(
    CC1)c2ccc(cc2)OC[C@@H]3CO[C@@](O3)(Cn4cc
    nc4)c5ccc(cc5Cl)Cl; CC(=O)N1CCN(CC1)c2cc
    c(OC[C@@H]3CO[C@](Cn4ccnc4)(O3)c5ccc(Cl)
    cc5Cl)cc2; CC(=O)N1CCN(CC1)c2ccc(cc2)OCC
    3COC(O3)(Cn4ccnc4)c5ccc(cc5Cl)Cl; O=C(N5
    CCN(c4ccc(OCC1OC(OC1)(c2ccc(Cl)cc2Cl)Cn3
    cncc3)cc4)CC5)C    		 1-ACETYL-4-(4-{[(2S,4R)-2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL]METHOXY}PHENYL)PIPERAZINE
    26227 KLO
    CHEMBL275965
    ZINC000001670654    		 2 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c14-1
    0-9(7-12-11(15)13-10)6-8-
    4-2-1-3-5-8/h1-5,7H,6H2,(
    H2,12,13,14,15);
    RPZOVLGFKOOIRP-UHFFFAOYSA-N    		 c1ccc(cc1)Cc2cnc(nc2O)O; Oc1ncc(Cc2ccccc
    2)c(O)n1    		 5-(phenylmethyl)pyrimidine-2,4-diol
    26228 KLP 1 C21 H22 N4 O3 S InChI=1S/C21H22N4O3S/c1-1
    2-6-5-7-13(2)17(12)11-22-
    21-16-8-14-9-18(25-29(4,2
    6)27)19(28-3)10-15(14)20(
    16)23-24-21/h5-10,25H,11H
    2,1-4H3,(H,22,24);
    YLMQFWXDIVNPGV-UHFFFAOYSA-N    		 Cc1cccc(c1CNC2=C3C=C4C=C(C(=CC4=C3N=N2)O
    C)NS(=O)(=O)C)C; COC1=CC2=C3N=NC(=C3C=C2
    C=C1N[S](C)(=O)=O)NCc4c(C)cccc4C; CS(=O)
    (=O)NC4=CC3=CC=1C(N=NC=1NCc2c(cccc2C)C)=
    C3C=C4OC    		 N-(3-{[(2,6-dimethylphenyl)methyl]amino}-7-methoxyindeno[1,2-c]pyrazol-6-yl)methanesulfonamide
    26229 KLQ
    CHEMBL3989866
    DB11799    		 7 C21 H18 F3 N3 O5 InChI=1S/C21H18F3N3O5/c22
    -9-3-14(23)12(15(24)4-9)6
    -25-20(30)13-7-26-8-16-27
    (10-1-2-11(5-10)32-16)21(
    31)17(26)19(29)18(13)28/h
    3-4,7,10-11,16,29H,1-2,5-
    6,8H2,(H,25,30)/t10-,11+,
    16+/m0/s1;
    SOLUWJRYJLAZCX-LYOVBCGYSA-N    		 c1c(cc(c(c1F)CNC(=O)C2=CN3CC4N(C5CCC(C5)
    O4)C(=O)C3=C(C2=O)O)F)F; OC1=C2N(C[C@H]3
    O[C@@H]4CC[C@@H](C4)N3C2=O)C=C(C(=O)NCc5
    c(F)cc(F)cc5F)C1=O; OC1=C2N(C[CH]3O[CH]4
    CC[CH](C4)N3C2=O)C=C(C(=O)NCc5c(F)cc(F)c
    c5F)C1=O; c1c(cc(c(c1F)CNC(=O)C2=CN3C[C@
    @H]4N([C@H]5CC[C@H](C5)O4)C(=O)C3=C(C2=O
    )O)F)F    		 Bictegravir
    26230 KLR 1 C20 H24 N4 O InChI=1S/C20H24N4O/c1-20(
    2,3)24-19(25)18(16-7-5-13
    -22-14-16)23-17-10-8-15(9
    -11-17)6-4-12-21/h5,7-11,
    13-14,18,23H,4,6H2,1-3H3,
    (H,24,25)/t18-/m0/s1;
    OUPPHPJHMDQSCE-SFHVURJKSA-N    		 CC(C)(C)NC(=O)C(c1cccnc1)Nc2ccc(cc2)CCC#
    N; CC(C)(C)NC(=O)[C@@H](Nc1ccc(CCC#N)cc1
    )c2cccnc2; CC(C)(C)NC(=O)[C@H](c1cccnc1)
    Nc2ccc(cc2)CCC#N; CC(C)(C)NC(=O)C(Nc1ccc
    (CCC#N)cc1)c1cccnc1; CC(C)(C)NC(=O)[CH](
    Nc1ccc(CCC#N)cc1)c2cccnc2    		 (2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide
    26231 KLS 2 C9 H12 N4 O InChI=1S/C9H12N4O/c1-11-9
    (14)13-8(10)12-7-5-3-2-4-
    6-7/h2-6H,1H3,(H4,10,11,1
    2,13,14);
    BBCGZOVGNWCXHT-UHFFFAOYSA-N    		 CNC(=O)NC(=N)Nc1ccccc1; O=C(NC)NC(=[N@H]
    )Nc1ccccc1    		 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA
    26232 KLT
    CHEMBL402262
    DB08046
    ZINC000000057255    		 2 C14 H11 Cl N2 O4 S InChI=1S/C14H11ClN2O4S/c1
    5-11-6-5-8(7-12(11)22(16,
    20)21)14(19)10-4-2-1-3-9(
    10)13(18)17-14/h1-7,19H,(
    H,17,18)(H2,16,20,21)/t14
    -/m0/s1;
    JIVPVXMEBJLZRO-AWEZNQCLSA-N    		 N[S](=O)(=O)c1cc(ccc1Cl)[C]2(O)NC(=O)c3c
    cccc23; c1ccc2c(c1)C(=O)NC2(c3ccc(c(c3)S
    (=O)(=O)N)Cl)O; N[S](=O)(=O)c1cc(ccc1Cl)
    [C@@]2(O)NC(=O)c3ccccc23; O=S(=O)(N)c1c(
    Cl)ccc(c1)C2(O)c3ccccc3C(=O)N2; c1ccc2c(
    c1)C(=O)N[C@@]2(c3ccc(c(c3)S(=O)(=O)N)Cl
    )O    		 2-chloro-5-[(1S)-1-hydroxy-3-oxo-2H-isoindol-1-yl]benzenesulfonamide;
    chlorthalidone
    26233 KLU
    ZINC000008939853    		 3 C11 H11 Cl N2 O3 InChI=1S/C11H11ClN2O3/c12
    -5-10(15)14-6-9(11(13)16)
    17-8-4-2-1-3-7(8)14/h1-4,
    9H,5-6H2,(H2,13,16)/t9-/m
    0/s1;
    ARXMOGIPJRHYNG-VIFPVBQESA-N    		 c1ccc2c(c1)N(CC(O2)C(=O)N)C(=O)CCl; NC(=
    O)[CH]1CN(C(=O)CCl)c2ccccc2O1; ClCC(=O)N
    1CC(Oc2ccccc21)C(N)=O; c1ccc2c(c1)N(C[C@
    H](O2)C(=O)N)C(=O)CCl; NC(=O)[C@@H]1CN(C
    (=O)CCl)c2ccccc2O1    		 (2S)-4-(chloroacetyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
    26234 KLV
    CHEMBL255305
    ZINC000001895413    		 1 C10 H9 O6 P InChI=1S/C10H9O6P/c1-6-4-
    10(11)15-9-5-7(2-3-8(6)9)
    16-17(12,13)14/h2-5H,1H3,
    (H2,12,13,14);
    BCHIXGBGRHLSBE-UHFFFAOYSA-N    		 O=P(O)(O)Oc2ccc1c(OC(=O)C=C1C)c2; CC1=CC
    (=O)Oc2c1ccc(c2)OP(=O)(O)O; CC1=CC(=O)Oc
    2cc(O[P](O)(O)=O)ccc12    		 4-methylumbelliferyl phosphate;
    4-methyl-2-oxo-2H-chromen-7-yl dihydrogen phosphate
    26235 KLW
    ZINC000000404206    		 1 C8 H7 N O3 InChI=1S/C8H7NO3/c9-7(10)
    5-3-1-2-4-6(5)8(11)12/h1-
    4H,(H2,9,10)(H,11,12);
    CYMRPDYINXWJFU-UHFFFAOYSA-N    		 NC(=O)c1ccccc1C(O)=O; O=C(O)c1ccccc1C(=O
    )N; c1ccc(c(c1)C(=O)N)C(=O)O    		 2-carbamoylbenzoic acid
    26236 KLX 1 C20 H21 Cl O4 InChI=1S/C20H21ClO4/c21-1
    5-5-4-8-17(12-15)24-13-14
    -11-18(9-10-19(14)20(22)2
    3)25-16-6-2-1-3-7-16/h1-8
    ,12,14,18-19H,9-11,13H2,(
    H,22,23)/t14-,18+,19-/m1/
    s1;
    IIMAZIDTCFIPHU-MDASCCDHSA-N    		 OC(=O)[CH]1CC[CH](C[CH]1COc2cccc(Cl)c2)O
    c3ccccc3; Clc1cccc(c1)OCC1CC(Oc2ccccc2)C
    CC1C(=O)O; c1ccc(cc1)O[C@H]2CC[C@H]([C@H
    ](C2)COc3cccc(c3)Cl)C(=O)O; OC(=O)[C@@H]
    1CC[C@@H](C[C@@H]1COc2cccc(Cl)c2)Oc3cccc
    c3; c1ccc(cc1)OC2CCC(C(C2)COc3cccc(c3)Cl
    )C(=O)O    		 (1R,2S,4S)-2-[(3-chlorophenoxy)methyl]-4-phenoxycyclohexane-1-carboxylic acid
    26237 KLY
    CHEMBL4588581    		 8 C18 H20 F N3 InChI=1S/C18H20FN3/c1-13-
    8-17(22-18(20)9-13)6-5-15
    -10-14(4-3-7-21-2)11-16(1
    9)12-15/h8-12,21H,5-7H2,1
    -2H3,(H2,20,22);
    YNFSNSWWKPMRND-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCNC; CNC
    C#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1; c2(cc(
    CCc1cc(C)cc(N)n1)cc(c2)F)C#CCNC    		 6-(2-{3-fluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    26238 KLZ 1 C10 H9 Cl N2 S2 InChI=1S/C10H9ClN2S2/c11-
    7-1-5(4-14)2-8-6(7)3-9(15
    -8)10(12)13/h1-3,14H,4H2,
    (H3,12,13);
    YFGWNQGNVJPWHQ-UHFFFAOYSA-N    		 c1c(cc(c2c1sc(c2)C(=N)N)Cl)CS; NC(=N)c1s
    c2cc(CS)cc(Cl)c2c1; [H]/N=C(\c1cc2c(s1)c
    c(cc2Cl)CS)/N    		 4-chloranyl-6-(sulfanylmethyl)-1-benzothiophene-2-carboximidamide
    26239 KM0
    ZINC000060705805    		 16 C16 H12 Cl N O InChI=1S/C16H12ClNO/c17-1
    4-8-9-15(16-13(14)7-4-10-
    18-16)19-11-12-5-2-1-3-6-
    12/h1-10H,11H2;
    LPPVIXWNCVGAJV-UHFFFAOYSA-N    		 Clc1ccc(OCc2ccccc2)c3ncccc13; c1ccc(cc1)
    COc2ccc(c3c2nccc3)Cl; Clc2ccc(OCc1ccccc1
    )c3ncccc23    		 8-(benzyloxy)-5-chloroquinoline
    26240 KM1
    ZINC000095920708    		 10 C16 H11 Cl2 N O InChI=1S/C16H11Cl2NO/c17-
    12-4-1-3-11(9-12)10-20-15
    -7-6-14(18)13-5-2-8-19-16
    (13)15/h1-9H,10H2;
    BIHPUIBBWFPTCY-UHFFFAOYSA-N    		 Clc1cccc(COc2ccc(Cl)c3cccnc23)c1; Clc1cc
    cc(c1)COc2ccc(Cl)c3cccnc23; c1cc(cc(c1)C
    l)COc2ccc(c3c2nccc3)Cl    		 5-chloro-8-[(3-chlorobenzyl)oxy]quinoline
    26241 KM2 1 C12 H16 N4 S InChI=1S/C12H16N4S/c1-7(6
    -13)16-9-4-2-3-8-5-10(12(
    14)15)17-11(8)9/h2-5,7,16
    H,6,13H2,1H3,(H3,14,15)/t
    7-/m0/s1;
    ZAZAVGHCOORPKF-ZETCQYMHSA-N    		 CC(CN)Nc1cccc2c1sc(c2)C(=N)N; C[CH](CN)N
    c1cccc2cc(sc12)C(N)=N; C[C@@H](CN)Nc1ccc
    c2cc(sc12)C(N)=N; [H]/N=C(\c1cc2cccc(c2s
    1)N[C@@H](C)CN)/N    		 7-[[(2~{S})-1-azanylpropan-2-yl]amino]-1-benzothiophene-2-carboximidamide
    26242 KM3 20 C26 H36 Fe N6 O2 S InChI=1S/C26H36N6O2S.Fe/c
    33-24(12-2-1-11-23-25-22(
    19-35-23)30-26(34)31-25)2
    9-15-7-8-16-32(17-20-9-3-
    5-13-27-20)18-21-10-4-6-1
    4-28-21;/h3-6,9-10,13-14,
    22-23,25H,1-2,7-8,11-12,1
    5-19H2,(H,29,33)(H2,30,31
    ,34);/q;+3/t22-,23-,25-;/
    m0./s1;
    BLSJCACNFKSTBA-LTWAPREQSA-N    		 c1cc[n+]2c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)
    CCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6; O=C(CC
    CC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NCCCCN3
    Cc4cccc[n+]4[Fe][n+]5ccccc5C3; c1cc[n+]2
    c(c1)C[N+]3([Fe]2[n+]4ccccc4C3)CCCCNC(=O
    )CCCC[C@H]5[C@@H]6[C@H](CS5)NC(=O)N6; O=
    C1NC2C(N1)C(SC2)CCCCC(NCCCC[N+]35[Fe]([n
    +]4ccccc4C3)[n+]6ccccc6C5)=O; O=C(CCCC[C
    H]1SC[CH]2NC(=O)N[CH]12)NCCCCN3Cc4cccc[n
    +]4[Fe][n+]5ccccc5C3    		 {N-(4-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}butyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)
    26243 KM5
    CHEMBL5180552    		 3 C23 H28 N8 O3 InChI=1S/C23H28N8O3/c1-3-
    30(13-16-12-26-20-18(27-1
    6)19(24)28-23(25)29-20)17
    -6-4-14(5-7-17)21(32)31-1
    0-8-15(9-11-31)22(33)34-2
    /h4-7,12,15H,3,8-11,13H2,
    1-2H3,(H4,24,25,26,28,29);
    OTZWZUHDCONCKN-UHFFFAOYSA-N    		 CCN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(
    =O)N4CCC(CC4)C(=O)OC; CCN(Cc1cnc2nc(N)nc
    (N)c2n1)c3ccc(cc3)C(=O)N4CCC(CC4)C(=O)OC    		 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-ethyl-amino]phenyl]carbonylpiperidine-4-carboxylate
    26244 KM6
    ZINC000019942701    		 1 C8 H5 Cl N2 O InChI=1S/C8H5ClN2O/c9-7-3
    -1-6(2-4-7)8-11-10-5-12-8
    /h1-5H;
    AYUDXVQMLKGODN-UHFFFAOYSA-N    		 c1cc(ccc1c2nnco2)Cl; Clc1ccc(cc1)c2ocnn2 2-(4-chlorophenyl)-1,3,4-oxadiazole
    26245 KM7
    CHEMBL4557453    		 4 C19 H22 F N3 InChI=1S/C19H22FN3/c1-14-
    9-18(22-19(21)10-14)7-6-1
    6-11-15(12-17(20)13-16)5-
    4-8-23(2)3/h9-13H,6-8H2,1
    -3H3,(H2,21,22);
    YSCHBYRLJPUGBG-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C#CCN(C)C;
    CN(C)CC#Cc1cc(F)cc(CCc2cc(C)cc(N)n2)c1;
    c2(cc(C)cc(CCc1cc(F)cc(c1)C#CCN(C)C)n2)N    		 6-(2-{3-[3-(dimethylamino)prop-1-yn-1-yl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
    26246 KM8 3 C14 H15 N3 O S InChI=1S/C14H15N3OS/c1-2-
    13(18)17-11-5-3-4-9(6-11)
    10-7-12(14(15)16)19-8-10/
    h3-8H,2H2,1H3,(H3,15,16)(
    H,17,18);
    GPXOTALYBUCFOP-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N; CCC(=
    O)Nc1cccc(c1)c2csc(c2)C(N)=N; [H]/N=C(\c
    1cc(cs1)c2cccc(c2)NC(=O)CC)/N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]propanamide
    26247 KMA
    CHEMBL4534409    		 12 C20 H26 F N3 InChI=1S/C20H26FN3/c1-14-
    9-19(24-20(22)10-14)7-5-1
    6-11-15(12-17(21)13-16)4-
    6-18-3-2-8-23-18/h9-13,18
    ,23H,2-8H2,1H3,(H2,22,24)
    /t18-/m0/s1;
    PTOVOAJZRWYLQM-SFHVURJKSA-N    		 Cc1cc(N)nc(CCc2cc(F)cc(CC[C@@H]3CCCN3)c2
    )c1; Fc1cc(cc(c1)CCC2CCCN2)CCc3cc(cc(n3)
    N)C; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CC[C@@
    H]3CCCN3; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)C
    CC3CCCN3; Cc1cc(N)nc(CCc2cc(F)cc(CC[CH]3
    CCCN3)c2)c1    		 6-[2-(3-fluoro-5-{2-[(2R)-pyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26248 KMB
    DB04239
    ZINC000012504238    		 1 C16 H16 N4 O S InChI=1S/C16H16N4OS/c17-8
    -10-6-11(9-22-12-4-2-1-3-
    5-12)14-13(7-10)15(21)20-
    16(18)19-14/h1-7H,8-9,17H
    2,(H3,18,19,20,21);
    CBFXRTSHUMEYKQ-UHFFFAOYSA-N    		 O=C1c2c(N=C(N1)N)c(cc(c2)CN)CSc3ccccc3;
    NCc1cc(CSc2ccccc2)c3N=C(N)NC(=O)c3c1; c1
    ccc(cc1)SCc2cc(cc3c2N=C(NC3=O)N)CN    		 2-AMINO-6-AMINOMETHYL-8-PHENYLSULFANYLMETHYL-3H-QUINAZOLIN-4-ONE
    26249 KMC
    CHEMBL309490
    ZINC000000120273    		 1 C15 H10 O5 InChI=1S/C15H10O5/c16-9-6
    -10(17)12-11(7-9)20-15(14
    (19)13(12)18)8-4-2-1-3-5-
    8/h1-7,16-17,19H;
    VCCRNZQBSJXYJD-UHFFFAOYSA-N    		 c1ccc(cc1)C2=C(C(=O)c3c(cc(cc3O2)O)O)O;
    Oc1cc(O)c2C(=O)C(=C(Oc2c1)c3ccccc3)O    		 galangin;
    3,5,7-tris(oxidanyl)-2-phenyl-chromen-4-one
    26250 KMD
    CHEMBL4467114    		 4 C21 H28 F N3 InChI=1S/C21H28FN3/c1-15-
    10-19(24-21(23)11-15)7-5-
    16-12-17(14-18(22)13-16)6
    -8-20-4-3-9-25(20)2/h10-1
    4,20H,3-9H2,1-2H3,(H2,23,
    24)/t20-/m0/s1;
    LLEZATCTDGWSJC-FQEVSTJZSA-N    		 CN1CCC[C@H]1CCc2cc(F)cc(CCc3cc(C)cc(N)n3
    )c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2)F)CCC3CC
    CN3C; c3(cc(C)cc(CCc1cc(F)cc(c1)CCC2CCCN
    2C)n3)N; CN1CCC[CH]1CCc2cc(F)cc(CCc3cc(C
    )cc(N)n3)c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2)
    F)CC[C@@H]3CCCN3C    		 6-[2-(3-fluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26251 KME
    ZINC000058649418    		 1 C12 H20 O8 InChI=1S/C12H20O8/c1-3-4-
    19-12(11(16)17)5-7(14)9(1
    5)10(20-12)8(6-13)18-2/h3
    -4,7-10,13-15H,5-6H2,1-2H
    3,(H,16,17)/b4-3+/t7-,8-,
    9-,10-,12-/m1/s1;
    HGSGCVUFLKROQP-PPCCDUSGSA-N    		 CO[CH](CO)[CH]1O[C](C[CH](O)[CH]1O)(OC=C
    C)C(O)=O; CO[C@H](CO)[C@H]1O[C@@](C[C@@H
    ](O)[C@H]1O)(O\C=C\C)C(O)=O; CC=COC1(CC(
    C(C(O1)C(CO)OC)O)O)C(=O)O; C/C=C/O[C@@]1
    (C[C@H]([C@H]([C@H](O1)[C@@H](CO)OC)O)O)
    C(=O)O; O=C(O)C1(O/C=C/C)OC(C(O)C(O)C1)C
    (OC)CO    		 (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulopyranosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-alpha-D-manno-oct-2-ulosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-D-manno-oct-2-ulosidonic acid;
    (1E)-prop-1-en-1-yl 3-deoxy-7-O-methyl-manno-oct-2-ulosidonic acid
    26252 KMF 1 C19 H23 N3 O2 InChI=1S/C19H23N3O2/c1-15
    (23)22-13-11-21(12-14-22)
    10-9-20-19(24)18-8-4-6-16
    -5-2-3-7-17(16)18/h2-8H,9
    -14H2,1H3,(H,20,24);
    FZEKPYMSMRNNKF-UHFFFAOYSA-N    		 CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc23)CC1;
    CC(=O)N1CCN(CCNC(=O)c2cccc3ccccc32)CC1;
    CC(=O)N1CCN(CC1)CCNC(=O)c2cccc3c2cccc3    		 N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide
    26253 KMG 1 C12 H17 N3 O2 S InChI=1S/C12H17N3O2S/c1-3
    -4-7-18(16,17)15-10-5-6-1
    2-11(8-10)9(2)13-14-12/h5
    -6,8,15H,3-4,7H2,1-2H3,(H
    ,13,14);
    KOCNIUOZWPMKDF-UHFFFAOYSA-N    		 CCCCS(=O)(=O)Nc1ccc2c(c1)c([nH]n2)C; CCC
    C[S](=O)(=O)Nc1ccc2n[nH]c(C)c2c1; Cc2c1c
    (ccc(c1)NS(CCCC)(=O)=O)nn2    		 N-(3-methyl-2H-indazol-5-yl)butane-1-sulfonamide
    26254 KMH 4 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(7)
    2-5(8)3-6(9)10/h4H,2-3,7H
    2,1H3,(H,9,10)/t4-/m0/s1;
    FAASBXNEOGMQHS-BYPYZUCNSA-N    		 C[C@@H](CC(=O)CC(=O)O)N; C[C@H](N)CC(=O)
    CC(O)=O; C[CH](N)CC(=O)CC(O)=O; CC(CC(=O
    )CC(=O)O)N    		 (5S)-5-AMINO-3-OXO-HEXANOIC ACID
    26255 KMI 9 C14 H17 N3 InChI=1S/C14H17N3/c1-10-6
    -13(17-14(15)7-10)12-5-3-
    4-11(8-12)9-16-2/h3-8,16H
    ,9H2,1-2H3,(H2,15,17);
    QVLCJJWOAMFHSP-UHFFFAOYSA-N    		 CNCc1cccc(c1)c2cc(C)cc(N)n2; Cc1cc(nc(c1
    )N)c2cccc(c2)CNC; Cc1cc(nc(N)c1)c1cccc(C
    NC)c1    		 4-methyl-6-{3-[(methylamino)methyl]phenyl}pyridin-2-amine
    26256 KMJ
    CHEMBL4528697    		 4 C19 H25 F2 N3 InChI=1S/C19H25F2N3/c1-13
    -9-17(23-18(22)10-13)7-6-
    15-12-16(20)11-14(19(15)2
    1)5-4-8-24(2)3/h9-12H,4-8
    H2,1-3H3,(H2,22,23);
    ZUJBVDNPPNRQBW-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)cc(CCc2cc(C)cc(N)n2)c1F;
    c2(cc(C)cc(CCc1c(F)c(cc(c1)F)CCCN(C)C)n2
    )N; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)CCCN(C)C
    )F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,5-difluorophenyl}ethyl)-4-methylpyridin-2-amine
    26257 KMK
    CHEMBL5171609    		 8 C24 H30 N8 O4 InChI=1S/C24H30N8O4/c1-36
    -23(35)16-7-10-31(11-8-16
    )22(34)15-3-5-18(6-4-15)3
    2(9-2-12-33)14-17-13-27-2
    1-19(28-17)20(25)29-24(26
    )30-21/h3-6,13,16,33H,2,7
    -12,14H2,1H3,(H4,25,26,27
    ,29,30);
    NKRKEQBTIYLTPA-UHFFFAOYSA-N    		 COC(=O)C1CCN(CC1)C(=O)c2ccc(cc2)N(CCCO)C
    c3cnc4c(n3)c(nc(n4)N)N; COC(=O)C1CCN(CC1
    )C(=O)c2ccc(cc2)N(CCCO)Cc3cnc4nc(N)nc(N)
    c4n3    		 methyl 1-[4-[[2,4-bis(azanyl)pteridin-6-yl]methyl-(3-oxidanylpropyl)amino]phenyl]carbonylpiperidine-4-carboxylate
    26258 KML
    CHEMBL399910
    ZINC000000073693    		 4 C15 H12 O4 InChI=1S/C15H12O4/c16-10-
    6-11(17)15-12(18)8-13(19-
    14(15)7-10)9-4-2-1-3-5-9/
    h1-7,13,16-17H,8H2/t13-/m
    0/s1;
    URFCJEUYXNAHFI-ZDUSSCGKSA-N    		 Oc1cc(O)c2C(=O)C[C@H](Oc2c1)c3ccccc3; Oc
    1cc(O)c2C(=O)C[CH](Oc2c1)c3ccccc3; c1ccc
    (cc1)C2CC(=O)c3c(cc(cc3O2)O)O; c1ccc(cc1
    )[C@@H]2CC(=O)c3c(cc(cc3O2)O)O    		 pinocembrin;
    (2~{S})-5,7-bis(oxidanyl)-2-phenyl-2,3-dihydrochromen-4-one
    26259 KMM
    CHEMBL4455796    		 10 C19 H24 F3 N3 InChI=1S/C19H24F3N3/c1-12
    -9-14(24-17(23)10-12)6-7-
    15-18(21)13(5-4-8-25(2)3)
    11-16(20)19(15)22/h9-11H,
    4-8H2,1-3H3,(H2,23,24);
    ZAJCMGYRPZNQGR-UHFFFAOYSA-N    		 CN(C)CCCc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1
    F; c2(CCc1cc(C)cc(n1)N)c(c(CCCN(C)C)cc(c
    2F)F)F; Cc1cc(nc(c1)N)CCc2c(c(cc(c2F)F)C
    CCN(C)C)F    		 6-(2-{3-[3-(dimethylamino)propyl]-2,5,6-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    26260 KMN
    ZINC000263621205    		 2 C27 H32 N2 O2 InChI=1S/C27H32N2O2/c1-4-
    23-19-22(11-10-18-31-26-1
    2-8-7-9-13-26)20-24(27(23
    )30)21-28-16-14-25(15-17-
    28)29(5-2)6-3/h1,7-9,12-1
    3,19-20,25,30H,5-6,14-18,
    21H2,2-3H3;
    WYIKILSZEONLKD-UHFFFAOYSA-N    		 CCN(CC)C1CCN(CC1)Cc2cc(cc(c2O)C#C)C#CCOc
    3ccccc3; CCN(CC)C1CCN(CC1)Cc2cc(cc(C#C)c
    2O)C#CCOc3ccccc3    		 2-[[4-(diethylamino)piperidin-1-yl]methyl]-6-ethynyl-4-(3-phenoxyprop-1-ynyl)phenol
    26261 KMP
    CHEMBL150
    DB01852
    ZINC000003869768    		 19 C15 H10 O6 InChI=1S/C15H10O6/c16-8-3
    -1-7(2-4-8)15-14(20)13(19
    )12-10(18)5-9(17)6-11(12)
    21-15/h1-6,16-18,20H;
    IYRMWMYZSQPJKC-UHFFFAOYSA-N    		 c1cc(ccc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O;
    Oc1ccc(cc1)C2=C(O)C(=O)c3c(O)cc(O)cc3O2
    ; O=C1c3c(OC(=C1O)c2ccc(O)cc2)cc(O)cc3O    		 3,5,7-TRIHYDROXY-2-(4-HYDROXYPHENYL)-4H-CHROMEN-4-ONE;
    KAEMPHEROL
    26262 KMQ 8 C19 H29 N5 O14 P2 InChI=1S/C19H29N5O14P2/c1
    -2-3-4-33-15-13(26)10(37-
    19(15)28)6-35-40(31,32)38
    -39(29,30)34-5-9-12(25)14
    (27)18(36-9)24-8-23-11-16
    (20)21-7-22-17(11)24/h2-3
    ,7-10,12-15,18-19,25-28H,
    4-6H2,1H3,(H,29,30)(H,31,
    32)(H2,20,21,22)/b3-2+/t9
    -,10-,12-,13-,14-,15-,18-
    ,19+/m1/s1;
    JOKNWQJJLFYBKK-YVAUJSGTSA-N    		 CC=CCOC1C(C(OC1O)COP(=O)(O)OP(=O)(O)OCC2
    C(C(C(O2)n3cnc4c3ncnc4N)O)O)O; C/C=C/CO[
    C@@H]1[C@@H]([C@H](O[C@@H]1O)COP(=O)(O)O
    P(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n
    3cnc4c3ncnc4N)O)O)O; CC=CCO[CH]1[CH](O)O
    [CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH]1O;
    C\C=C\CO[C@H]1[C@@H](O)O[C@H](CO[P](O)(=
    O)O[P](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@
    H]2O)n3cnc4c(N)ncnc34)[C@H]1O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{S})-4-[(~{E})-but-2-enoxy]-3,5-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    26263 KMR
    CHEMBL5204256    		 5 C14 H24 N4 InChI=1S/C14H24N4/c1-12-1
    0-13(16-14(15)11-12)4-3-5
    -18-8-6-17(2)7-9-18/h10-1
    1H,3-9H2,1-2H3,(H2,15,16);
    SJKIQNSRANOUEL-UHFFFAOYSA-N    		 Cc1cc(CCCN2CCN(C)CC2)nc(N)c1; Cc1cc(nc(c
    1)N)CCCN2CCN(CC2)C; CN1CCN(CCCc2cc(C)cc(
    N)n2)CC1    		 4-methyl-6-[3-(4-methylpiperazin-1-yl)propyl]pyridin-2-amine
    26264 KMS
    CHEMBL4548400    		 8 C19 H24 F3 N3 InChI=1S/C19H24F3N3/c1-12
    -9-15(24-16(23)10-12)7-6-
    14-11-13(5-4-8-25(2)3)17(
    20)19(22)18(14)21/h9-11H,
    4-8H2,1-3H3,(H2,23,24);
    QBZKHLSOLPLXGI-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)CCc2cc(c(c(c2F)F)F)CCCN(C)
    C; CN(C)CCCc1cc(CCc2cc(C)cc(N)n2)c(F)c(F
    )c1F; c2(cc(C)cc(CCc1c(F)c(F)c(c(c1)CCCN
    (C)C)F)n2)N    		 6-(2-{5-[3-(dimethylamino)propyl]-2,3,4-trifluorophenyl}ethyl)-4-methylpyridin-2-amine
    26265 KMT
    CHEMBL1233860
    DB02238
    ZINC000001532883    		 16 C5 H8 O3 S InChI=1S/C5H8O3S/c1-9-3-2
    -4(6)5(7)8/h2-3H2,1H3,(H,
    7,8);
    SXFSQZDSUWACKX-UHFFFAOYSA-N    		 O=C(O)C(=O)CCSC; CSCCC(=O)C(O)=O; CSCCC(
    =O)C(=O)O    		 4-(METHYLSULFANYL)-2-OXOBUTANOIC ACID
    26266 KMU 4 C22 H19 Cl N2 O2 InChI=1S/C22H19ClN2O2/c23
    -18-10-11-19-17(20(18)15-
    8-4-5-9-16(15)21(25)26)12
    -22(13-24,27-19)14-6-2-1-
    3-7-14/h1-11H,12-13,24H2,
    (H2,25,26)/t22-/m1/s1;
    CBDKNPCPJRZPOB-JOCHJYFZSA-N    		 NC[C@]1(Cc2c(O1)ccc(Cl)c2c3ccccc3C(N)=O)
    c4ccccc4; NC[C]1(Cc2c(O1)ccc(Cl)c2c3cccc
    c3C(N)=O)c4ccccc4; c1ccc(cc1)[C@@]2(Cc3c
    (ccc(c3c4ccccc4C(=O)N)Cl)O2)CN; c1ccc(cc
    1)C2(Cc3c(ccc(c3c4ccccc4C(=O)N)Cl)O2)CN    		 2-[(2~{S})-2-(aminomethyl)-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-4-yl]benzamide
    26267 KMV
    CHEMBL4454695    		 4 C18 H19 F2 N3 InChI=1S/C18H19F2N3/c1-12
    -8-15(23-17(21)9-12)6-5-1
    4-10-13(4-3-7-22-2)11-16(
    19)18(14)20/h8-11,22H,5-7
    H2,1-2H3,(H2,21,23);
    VPIZCATWBQGZCY-UHFFFAOYSA-N    		 CNCC#Cc1cc(F)c(F)c(CCc2cc(C)cc(N)n2)c1;
    Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C#CCNC; c2
    (cc(C)cc(CCc1c(F)c(F)cc(c1)C#CCNC)n2)N    		 6-(2-{2,3-difluoro-5-[3-(methylamino)prop-1-yn-1-yl]phenyl}ethyl)-4-methylpyridin-2-amine
    26268 KMW
    CHEMBL4126054    		 1 C14 H12 N2 O3 InChI=1S/C14H12N2O3/c15-1
    3(17)9-4-6-11(7-5-9)19-12
    -3-1-2-10(8-12)14(16)18/h
    1-8H,(H2,15,17)(H2,16,18);
    PMOXYDXLQIUWHL-UHFFFAOYSA-N    		 NC(=O)c1ccc(Oc2cccc(c2)C(N)=O)cc1; c1cc(
    cc(c1)Oc2ccc(cc2)C(=O)N)C(=O)N    		 3-(4-aminocarbonylphenoxy)benzamide
    26269 KMX 1 C17 H21 N3 O S InChI=1S/C17H21N3OS/c1-14
    (21)20-9-7-19(8-10-20)13-
    16-12-18-17(22-16)11-15-5
    -3-2-4-6-15/h2-6,12H,7-11
    ,13H2,1H3;
    CZSFWPWYLTWYHF-UHFFFAOYSA-N    		 CC(=O)N1CCN(CC1)Cc1cnc(Cc2ccccc2)s1; CC(
    =O)N1CCN(CC1)Cc2cnc(s2)Cc3ccccc3; CC(=O)
    N1CCN(CC1)Cc2sc(Cc3ccccc3)nc2    		 1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one
    26270 KMY
    CHEMBL2094337
    ZINC000000307965    		 8 C9 H6 Cl N O2 S InChI=1S/C9H6ClNO2S/c10-7
    -5-3-1-2-4-6(5)14-8(7)9(1
    2)11-13/h1-4,13H,(H,11,12
    );
    HRXULFWGEYSULN-UHFFFAOYSA-N    		 Clc1c2ccccc2sc1C(=O)NO; c1ccc2c(c1)c(c(s
    2)C(=O)NO)Cl; ONC(=O)c1sc2ccccc2c1Cl    		 3-chlorobenzothiophene-2-carbohydroxamic acid
    26271 KN0 4 C21 H15 F3 N2 O2 InChI=1S/C21H15F3N2O2/c22
    -21(23,24)17-8-4-7-16-19(
    15-10-9-14(27)11-18(15)28
    )25-26(20(16)17)12-13-5-2
    -1-3-6-13/h1-11,27-28H,12
    H2;
    LXPUCQLYLWGFLV-UHFFFAOYSA-N    		 c1ccc(cc1)Cn2c3c(cccc3C(F)(F)F)c(n2)c4cc
    c(cc4O)O; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)
    cc3O)Cc4ccccc4; Oc1ccc(c(O)c1)c2nn(Cc3cc
    ccc3)c4c2cccc4C(F)(F)F    		 4-[1-benzyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    26272 KN1
    CHEMBL222501
    DB08047    		 10 C17 H13 F3 N2 O2 InChI=1S/C17H13F3N2O2/c1-
    2-8-22-16-12(4-3-5-13(16)
    17(18,19)20)15(21-22)11-7
    -6-10(23)9-14(11)24/h2-7,
    9,23-24H,1,8H2;
    ZDUDMCQPFKPISO-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2nn(CC=C)c3c2cccc3C(F)(F)
    F; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3O)C\
    C=C; C=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(
    cc3O)O    		 4-[1-allyl-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    26273 KN2
    CHEMBL223026
    DB08048
    ZINC000013586321    		 2 C13 H10 N2 O3 InChI=1S/C13H10N2O3/c16-7
    -1-3-9-11(5-7)14-15-13(9)
    10-4-2-8(17)6-12(10)18/h1
    -6,16-18H,(H,14,15);
    WLDZDEMGKFWJNR-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2n[nH]c3cc(O)ccc23; n2c(c
    1ccc(O)cc1n2)c3ccc(O)cc3O; c1cc2c(cc1O)[
    nH]nc2c3ccc(cc3O)O    		 4-(6-HYDROXY-1H-INDAZOL-3-YL)BENZENE-1,3-DIOL
    26274 KN3 6 C19 H17 F3 N2 O2 InChI=1S/C19H17F3N2O2/c1-
    11(2)8-9-24-18-14(4-3-5-1
    5(18)19(20,21)22)17(23-24
    )13-7-6-12(25)10-16(13)26
    /h3-8,10,25-26H,9H2,1-2H3;
    DFKXJYQQWHKKOK-UHFFFAOYSA-N    		 CC(=CCn1c2c(cccc2C(F)(F)F)c(n1)c3ccc(cc3
    O)O)C; FC(F)(F)c1cccc2c1n(nc2c3ccc(O)cc3
    O)C/C=C(/C)C; CC(C)=CCn1nc(c2ccc(O)cc2O)
    c3cccc(c13)C(F)(F)F    		 4-[1-(3-methylbut-2-en-1-yl)-7-(trifluoromethyl)-1H-indazol-3-yl]benzene-1,3-diol
    26275 KN4
    CHEMBL4450896    		 4 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -10-17(25-20(24)11-14)7-6
    -16-12-15(13-19(22)21(16)
    23)5-8-18-4-3-9-26(18)2/h
    10-13,18H,3-9H2,1-2H3,(H2
    ,24,25)/t18-/m0/s1;
    DWIFPRVVASXUJK-SFHVURJKSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCCN3C
    ; CN1CCC[CH]1CCc2cc(F)c(F)c(CCc3cc(C)cc(
    N)n3)c2; CN1CCC[C@H]1CCc2cc(F)c(F)c(CCc3
    cc(C)cc(N)n3)c2; c1(F)c(F)cc(cc1CCc2cc(c
    c(n2)N)C)CCC3CCCN3C; Cc1cc(nc(c1)N)CCc2c
    c(cc(c2F)F)CC[C@@H]3CCCN3C    		 6-[2-(2,3-difluoro-5-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26276 KN9
    CHEMBL155333
    ZINC000053246208    		 3 C26 H29 Cl N2 O4 S InChI=1S/C26H29ClN2O4S/c1
    -28(17-5-6-21-9-11-23(27)
    12-10-21)20-22-7-3-4-8-26
    (22)29(18-19-30)34(31,32)
    25-15-13-24(33-2)14-16-25
    /h3-16,30H,17-20H2,1-2H3/
    b6-5+;
    LLLQTDSSHZREGW-AATRIKPKSA-N    		 CN(C/C=C/c1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=
    O)(=O)c3ccc(cc3)OC; COc1ccc(cc1)[S](=O)(
    =O)N(CCO)c2ccccc2CN(C)C\C=C\c3ccc(Cl)cc3
    ; CN(Cc1ccccc1N(CCO)S(c2ccc(OC)cc2)(=O)=
    O)C\C=C\c3ccc(cc3)Cl; COc1ccc(cc1)[S](=O
    )(=O)N(CCO)c2ccccc2CN(C)CC=Cc3ccc(Cl)cc3
    ; CN(CC=Cc1ccc(cc1)Cl)Cc2ccccc2N(CCO)S(=
    O)(=O)c3ccc(cc3)OC    		 N-[2-[[[3-(4'-Chlorophenyl)-2-propenyl]methylamino]methyl]phenyl]-N-(2-hydroxyethyl)-4'-methoxybenzenesulfonamide;
    N-[2-({[(2E)-3-(4-chlorophenyl)prop-2-en-1-yl](methyl)amino}methyl)phenyl]-N-(2-hydroxyethyl)-4-methoxybenzene-1-sulfonamide
    26277 KNA
    CHEMBL108436
    ZINC000001529234    		 23 C9 H18 O2 InChI=1S/C9H18O2/c1-2-3-4
    -5-6-7-8-9(10)11/h2-8H2,1
    H3,(H,10,11);
    FBUKVWPVBMHYJY-UHFFFAOYSA-N    		 O=C(O)CCCCCCCC; CCCCCCCCC(=O)O; CCCCCCCC
    C(O)=O    		 nonanoic acid
    26278 KNB
    ZINC000012153436    		 0 C4 H9 N O4 S InChI=1S/C4H9NO4S/c1-10(8
    ,9)2-3(5)4(6)7/h3H,2,5H2,
    1H3,(H,6,7)/t3-/m0/s1;
    AINYOQVNQVOYSR-VKHMYHEASA-N    		 CS(=O)(=O)C[C@@H](C(=O)O)N; C[S](=O)(=O)
    C[CH](N)C(O)=O; O=S(=O)(CC(C(=O)O)N)C; C
    S(=O)(=O)CC(C(=O)O)N; C[S](=O)(=O)C[C@H]
    (N)C(O)=O    		 3-(methylsulfonyl)-L-alanine
    26279 KNC
    ZINC000008217406    		 1 C18 H36 N4 O11 InChI=1S/C18H36N4O11/c19-
    4-1-5(20)16(33-18-13(28)8
    (21)10(25)6(2-23)31-18)14
    (29)15(4)32-17-9(22)12(27
    )11(26)7(3-24)30-17/h4-18
    ,23-29H,1-3,19-22H2/t4-,5
    +,6+,7+,8-,9+,10+,11+,12+
    ,13+,14-,15+,16-,17+,18+/
    m0/s1;
    WZDRWYJKESFZMB-FQSMHNGLSA-N    		 O(C2C(O)C(OC1OC(CO)C(O)C(O)C1N)C(N)CC2N)
    C3OC(C(O)C(N)C3O)CO; C1C(C(C(C(C1N)OC2C(
    C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CO)O)O
    )N)N; C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]
    1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)
    CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([
    C@H](O3)CO)O)O)N)N; N[CH]1C[CH](N)[CH](O
    [CH]2O[CH](CO)[CH](O)[CH](N)[CH]2O)[CH](
    O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]
    3N; N[C@H]1C[C@@H](N)[C@H](O[C@H]2O[C@H]
    (CO)[C@@H](O)[C@H](N)[C@H]2O)[C@@H](O)[C
    @@H]1O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[
    C@H]3N    		 KANAMYCIN C
    26280 KND
    CHEMBL4547754    		 4 C21 H27 F2 N3 O InChI=1S/C21H27F2N3O/c1-1
    4-9-17(25-20(24)10-14)5-4
    -16-11-15(12-19(22)21(16)
    23)3-6-18-13-27-8-7-26(18
    )2/h9-12,18H,3-8,13H2,1-2
    H3,(H2,24,25)/t18-/m0/s1;
    WLROZYRNCCIRPN-SFHVURJKSA-N    		 c1c(c(F)c(cc1CCC2COCCN2C)CCc3cc(cc(n3)N)
    C)F; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3C
    OCCN3C; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC
    [C@H]3COCCN3C; CN1CCOC[CH]1CCc2cc(F)c(F)
    c(CCc3cc(C)cc(N)n3)c2; CN1CCOC[C@@H]1CCc
    2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(3S)-4-methylmorpholin-3-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26281 KNE 6 C15 H14 Cl N O InChI=1S/C15H14ClNO/c16-1
    3-6-7-14-11(8-13)9-15(10-
    17,18-14)12-4-2-1-3-5-12/
    h1-8H,9-10,17H2/t15-/m1/s
    1;
    USNHZUDDFFMUDB-OAHLLOKOSA-N    		 c1ccc(cc1)C2(Cc3cc(ccc3O2)Cl)CN; c1ccc(c
    c1)[C@@]2(Cc3cc(ccc3O2)Cl)CN; NC[C@]1(Cc
    2cc(Cl)ccc2O1)c3ccccc3; NC[C]1(Cc2cc(Cl)
    ccc2O1)c3ccccc3    		 [(2~{S})-5-chloranyl-2-phenyl-3~{H}-1-benzofuran-2-yl]methanamine
    26282 KNF
    CHEMBL4175981
    DB14998    		 1 C18 H23 N5 O3 InChI=1S/C18H23N5O3/c1-18
    (2,3)13(9-24)20-17(25)15-
    12-7-10-6-11(10)16(12)23(
    21-15)14-8-22(26)5-4-19-1
    4/h4-5,8,10-11,13,24H,6-7
    ,9H2,1-3H3,(H,20,25)/t10-
    ,11-,13+/m0/s1;
    ACSQLTBPYZSGBA-GMXVVIOVSA-N    		 CC(C)(C)[C@@H](CO)NC(=O)c1c2c(n(n1)c3c[n
    +](ccn3)[O-])[C@H]4C[C@H]4C2; CC(C)(C)[C
    H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3[CH
    ]4C[CH]4Cc13; CC(C)(C)C(CO)NC(=O)c1c2c(n
    (n1)c3c[n+](ccn3)[O-])C4CC4C2; CC(C)(C)[
    C@@H](CO)NC(=O)c1nn(c2c[n+]([O-])ccn2)c3
    [C@H]4C[C@H]4Cc13    		 Olorinab;
    (2~{S},4~{S})-~{N}-[(2~{S})-3,3-dimethyl-1-oxidanyl-butan-2-yl]-9-(4-oxidanylpyrazin-2-yl)-8,9-diazatricyclo[4.3.0.0^{2,4}]nona-1(6),7-diene-7-carboxamide
    26283 KNG 4 C50 H67 N O19 InChI=1S/C50H67NO19/c1-21
    -13-12-14-29(26(6)67-48(6
    2)49(9,10)19-34(54)55)40(
    57)23(3)39(56)24(4)43(68-
    28(8)52)22(2)32(69-35-18-
    33-45(27(7)66-35)64-20-63
    -33)15-16-65-50(11)46(60)
    38-36-31(53)17-30(51-47(2
    1)61)42(59)37(36)41(58)25
    (5)44(38)70-50/h13,15-17,
    22-24,26-27,29,32-33,35,3
    9-40,43,45,53,56-59H,12,1
    4,18-20H2,1-11H3,(H,51,61
    )(H,54,55)/b16-15+,21-13-
    /t22-,23+,24-,26+,27-,29-
    ,32+,33+,35+,39-,40-,43-,
    45-,50+/m1/s1;
    RKRZBNCHQZDJPK-UAXKWEMASA-N    		 C[C@H]1O[C@H](C[C@@H]2OCO[C@H]12)O[C@H]3
    \C=C\O[C@@]4(C)Oc5c(C)c(O)c6c(O)c(NC(=O)
    \C(=C/CC[C@H]([C@H](C)OC(=O)C(C)(C)CC(O)
    =O)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C
    @H](OC(C)=O)[C@@H]3C)C)cc(O)c6c5C4=O; Cc
    1c(c2c3c(cc(c2O)NC(=O)/C(=C\CC[C@@H]([C@
    @H]([C@H]([C@H]([C@H]([C@@H]([C@@H]([C@H
    ](/C=C/O[C@@]4(C(=O)c3c1O4)C)O[C@H]5C[C@
    H]6[C@@H]([C@H](O5)C)OCO6)C)OC(=O)C)C)O)
    C)O)[C@H](C)OC(=O)C(C)(C)CC(=O)O)/C)O)O;
    Cc1c(c2c3c(cc(c2O)NC(=O)C(=CCCC(C(C(C(C
    (C(C(C(C=COC4(C(=O)c3c1O4)C)OC5CC6C(C(O5
    )C)OCO6)C)OC(=O)C)C)O)C)O)C(C)OC(=O)C(C)
    (C)CC(=O)O)C)O)O; c1(c3c(c(c6c2C(C(C)(OC
    =CC(C(C(C(C(C(C(C(CCC=C(C(=O)Nc1cc(c23)O
    )C)C(OC(C(C)(C)CC(=O)O)=O)C)O)C)O)C)OC(C
    )=O)C)OC5CC4C(OCO4)C(C)O5)O6)=O)C)O)O; C
    [CH]1O[CH](C[CH]2OCO[CH]12)O[CH]3C=CO[C]
    4(C)Oc5c(C)c(O)c6c(O)c(NC(=O)C(=CCC[CH](
    [CH](C)OC(=O)C(C)(C)CC(O)=O)[CH](O)[CH](
    C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]3C)C)cc
    (O)c6c5C4=O    		 Kanglemycin A;
    4-{(1S)-1-[(1S,2S,12S,16S,17R,18S,19R,20R,21S,22R,23S,24E)-21-(acetyloxy)-23-[(2,6-dideoxy-3,4-O-methylidene-beta-D-ribo-hexopyranosyl)oxy]-1,5,6,9,17,19-hexahydroxy-2,4,12,18,20,22-hexamethyl-11-oxo-1,2-dihydro-2,7-(epoxypentadec[1]enoimino)naphtho[2,1-b]furan-16-yl]ethoxy}-3,3-dimethyl-4-oxobutanoic acid
    26284 KNH
    ZINC000169367835    		 1 C35 H61 N O8 InChI=1S/C35H61NO8/c1-6-1
    2-33-34(41)36-23-30(38)22
    -32(40)31(39)20-19-28(24-
    43-5)16-10-14-27(7-2)15-1
    1-18-29(37)17-9-8-13-25(3
    )21-26(4)35(42)44-33/h10,
    14,16,25-27,30-33,38-40H,
    6-9,11-13,15,17-24H2,1-5H
    3,(H,36,41)/b14-10-,28-16
    -/t25-,26+,27+,30+,31-,32
    +,33+/m1/s1;
    VQWNGCSUNKJFLW-ROEOKSPKSA-N    		 CCC[C@@H]1OC(=O)[C@@H](C)C[C@H](C)CCCCC(
    =O)CCC[C@@H](CC)/C=C\C=C(\CC[C@@H](O)[C@
    @H](O)C[C@H](O)CNC1=O)COC; CCC[CH]1OC(=O
    )[CH](C)C[CH](C)CCCCC(=O)CCC[CH](CC)C=CC
    =C(CC[CH](O)[CH](O)C[CH](O)CNC1=O)COC; C
    CCC1C(=O)NCC(CC(C(CCC(=CC=CC(CCCC(=O)CCC
    CC(CC(C(=O)O1)C)C)CC)COC)O)O)O; CCC[C@H]
    1C(=O)NC[C@H](C[C@@H]([C@@H](CC/C(=C/C=C
    \[C@@H](CCCC(=O)CCCC[C@H](C[C@@H](C(=O)O
    1)C)C)CC)/COC)O)O)O    		 Myxovirescin A
    26285 KNI
    CHEMBL414640    		 6 C33 H41 N5 O6 S2 InChI=1S/C33H41N5O6S2/c1-
    33(2,3)37-31(42)26-19-46-
    20-38(26)32(43)29(40)24(1
    5-21-9-6-5-7-10-21)36-30(
    41)25(18-45-4)35-28(39)17
    -44-27-12-8-11-22-16-34-1
    4-13-23(22)27/h5-14,16,24
    -26,29,40H,15,17-20H2,1-4
    H3,(H,35,39)(H,36,41)(H,3
    7,42)/t24-,25-,26-,29-/m0
    /s1;
    NJBBLOIWMSYVCQ-VZTVMPNDSA-N    		 CSC[CH](NC(=O)COc1cccc2cnccc12)C(=O)N[CH
    ](Cc3ccccc3)[CH](O)C(=O)N4CSC[CH]4C(=O)N
    C(C)(C)C; CC(C)(C)NC(=O)[C@@H]1CSCN1C(=O
    )[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CSC)N
    C(=O)COc3cccc4c3ccnc4)O; CC(C)(C)NC(=O)C
    1CSCN1C(=O)C(C(Cc2ccccc2)NC(=O)C(CSC)NC(
    =O)COc3cccc4c3ccnc4)O; CSC[C@H](NC(=O)CO
    c1cccc2cnccc12)C(=O)N[C@@H](Cc3ccccc3)[C
    @H](O)C(=O)N4CSC[C@H]4C(=O)NC(C)(C)C; O=
    C(NC(C)(C)C)C4N(C(=O)C(O)C(NC(=O)C(NC(=O
    )COc2c1ccncc1ccc2)CSC)Cc3ccccc3)CSC4    		 (4R)-N-tert-butyl-3-[(2S,3S)-2-hydroxy-3-({N-[(isoquinolin-5-yloxy)acetyl]-S-methyl-L-cysteinyl}amino)-4-phenylbutanoyl]-1,3-thiazolidine-4-carboxamide;
    KNI-272;
    (N-TERT-BUTYL-THIOPROLINE)-(5-ISOQUINOLYLOXYACETYL-METHYLTHIOALANINE)-ALLOPHENYLNORSTATINE
    26286 KNJ
    CHEMBL573975
    ZINC000003925732    		 2 C30 H40 N4 O5 S InChI=1S/C30H40N4O5S/c1-1
    8(2)15-32-28(37)27-30(5,6
    )40-17-34(27)29(38)25(36)
    23(14-21-10-8-7-9-11-21)3
    3-24(35)16-39-26-19(3)12-
    22(31)13-20(26)4/h7-13,23
    ,25,27,36H,1,14-17,31H2,2
    -6H3,(H,32,37)(H,33,35)/t
    23-,25-,27+/m0/s1;
    YCDHYYBDJVMMOY-SCTDOJESSA-N    		 Cc1cc(cc(c1OCC(=O)NC(Cc2ccccc2)C(C(=O)N3
    CSC(C3C(=O)NCC(=C)C)(C)C)O)C)N; Cc1cc(cc
    (c1OCC(=O)N[C@@H](Cc2ccccc2)[C@@H](C(=O)
    N3CSC([C@H]3C(=O)NCC(=C)C)(C)C)O)C)N; CC
    (=C)CNC(=O)[CH]1N(CSC1(C)C)C(=O)[CH](O)[
    CH](Cc2ccccc2)NC(=O)COc3c(C)cc(N)cc3C; C
    C(=C)CNC(=O)[C@H]1N(CSC1(C)C)C(=O)[C@@H]
    (O)[C@H](Cc2ccccc2)NC(=O)COc3c(C)cc(N)cc
    3C; O=C(NCC(=C)/C)C3N(C(=O)C(O)C(NC(=O)C
    Oc1c(cc(N)cc1C)C)Cc2ccccc2)CSC3(C)C    		 (4R)-3-[(2S,3S)-3-{[(4-amino-2,6-dimethylphenoxy)acetyl]amino}-2-hydroxy-4-phenylbutanoyl]-5,5-dimethyl-N-(2-methylprop -2-en-1-yl)-1,3-thiazolidine-4-carboxamide;
    KNI-1689
    26287 KNL
    CHEMBL361845
    ZINC000000123600    		 1 C8 H6 Cl2 O3 InChI=1S/C8H6Cl2O3/c9-5-2
    -1-3-6(10)8(5)13-4-7(11)1
    2/h1-3H,4H2,(H,11,12);
    KHZWIIFEFQBNKL-UHFFFAOYSA-N    		 OC(=O)COc1c(Cl)cccc1Cl; Clc1cccc(Cl)c1OC
    C(=O)O; c1cc(c(c(c1)Cl)OCC(=O)O)Cl    		 (2,6-dichlorophenoxy)acetic acid
    26288 KNM
    ZINC000263620290    		 6 C51 H92 N6 O8 S InChI=1S/C51H92N6O8S/c1-3
    6(2)26-42(21-25-66(7,64)6
    5)55-49(62)44(28-38(5)6)5
    7-50(63)43(27-37(3)4)56-4
    7(60)20-12-8-9-15-22-52-4
    5(58)18-13-10-16-23-53-46
    (59)19-14-11-17-24-54-48(
    61)35-51-32-39-29-40(33-5
    1)31-41(30-39)34-51/h36-4
    4H,8-35H2,1-7H3,(H,52,58)
    (H,53,59)(H,54,61)(H,55,6
    2)(H,56,60)(H,57,63)/t39?
    ,40?,41?,42-,43+,44+,51?/
    m1/s1;
    BVBBFBDIMMETKA-GNKIUVBNSA-N    		 CC(C)C[C@@H](CC[S](C)(=O)=O)NC(=O)[C@H](
    CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CCCCCCNC
    (=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C
    3)C1)C2; CC(C)CC(CCS(=O)(=O)C)NC(=O)C(CC
    (C)C)NC(=O)C(CC(C)C)NC(=O)CCCCCCNC(=O)CC
    CCCNC(=O)CCCCCNC(=O)CC12CC3CC(C1)CC(C3)C
    2; CC(C)C[CH](CC[S](C)(=O)=O)NC(=O)[CH](
    CC(C)C)NC(=O)[CH](CC(C)C)NC(=O)CCCCCCNC(
    =O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3CC(CC(C3
    )C1)C2; CC(C)C[C@@H](CCS(=O)(=O)C)NC(=O)
    [C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CC
    CCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CC12CC3C
    C(C1)CC(C3)C2    		 ADA-(AHX)3-(LEU)3-VINYL SULFONE
    26289 KNN
    CHEMBL268246
    ZINC000000967194    		 0 C8 H11 N InChI=1S/C8H11N/c1-7-4-2-
    3-5-8(7)6-9/h2-5H,6,9H2,1
    H3;
    CJAAPVQEZPAQNI-UHFFFAOYSA-N    		 NCc1ccccc1C; Cc1ccccc1CN 1-(2-methylphenyl)methanamine
    26290 KNP 0 C8 H6 F2 O3 InChI=1S/C8H6F2O3/c9-5-2-
    1-3-6(10)8(5)13-4-7(11)12
    /h1-3H,4H2,(H,11,12);
    OOTAWLNUYMHJOL-UHFFFAOYSA-N    		 OC(=O)COc1c(F)cccc1F; O=C(O)COc1c(F)cccc
    1F; c1cc(c(c(c1)F)OCC(=O)O)F    		 (2,6-difluorophenoxy)acetic acid
    26291 KNR 2 C30 H49 N9 O5 InChI=1S/C30H49N9O5/c1-2-
    3-11-22-27(42)34-15-7-5-1
    3-23(39-30(32)33)28(43)36
    -19-26(41)35-18-21-10-8-9
    -20(16-21)17-25(40)37-24(
    29(44)38-22)12-4-6-14-31/
    h8-10,16,22-24H,2-7,11-15
    ,17-19,31H2,1H3,(H,34,42)
    (H,35,41)(H,36,43)(H,37,4
    0)(H,38,44)(H4,32,33,39)/
    t22-,23+,24-/m0/s1;
    FYKKPXKNPQGZNM-VXNXHJTFSA-N    		 [H]/N=C(\N)/N[C@@H]1CCCCNC(=O)[C@@H](NC(
    =O)[C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O
    )CCCCN)CCCC; CCCCC1C(=O)NCCCCC(C(=O)NCC(
    =O)NCc2cccc(c2)CC(=O)NC(C(=O)N1)CCCCN)NC
    (=N)N; CCCC[CH]1NC(=O)[CH](CCCCN)NC(=O)C
    c2cccc(CNC(=O)CNC(=O)[CH](CCCCNC1=O)NC(N
    )=N)c2; CCCC[C@@H]1NC(=O)[C@H](CCCCN)NC(
    =O)Cc2cccc(CNC(=O)CNC(=O)[C@@H](CCCCNC1=
    O)NC(N)=N)c2    		 1-[(8~{R},15~{S},18~{S})-18-(4-azanylbutyl)-15-butyl-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(26),22,24-trien-8-yl]guanidine
    26292 KNS
    CHEMBL4530822    		 4 C23 H31 F2 N3 O InChI=1S/C23H31F2N3O/c1-4
    -29-20-13-19(28(3)14-20)8
    -5-16-11-17(23(25)21(24)1
    2-16)6-7-18-9-15(2)10-22(
    26)27-18/h9-12,19-20H,4-8
    ,13-14H2,1-3H3,(H2,26,27)
    /t19-,20+/m0/s1;
    JJRCJHDDDMVMGM-VQTJNVASSA-N    		 CCO[C@@H]1C[C@@H](N(C1)C)CCc2cc(c(c(c2)F
    )F)CCc3cc(cc(n3)N)C; CCOC1CC(N(C1)C)CCc2
    cc(c(c(c2)F)F)CCc3cc(cc(n3)N)C; CCO[CH]1
    C[CH](CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
    )N(C)C1; CCO[C@@H]1C[C@H](CCc2cc(F)c(F)c
    (CCc3cc(C)cc(N)n3)c2)N(C)C1; c1(F)c(F)cc
    (cc1CCc2cc(cc(n2)N)C)CCC3CC(CN3C)OCC    		 6-[2-(5-{2-[(2S,4R)-4-ethoxy-1-methylpyrrolidin-2-yl]ethyl}-2,3-difluorophenyl)ethyl]-4-methylpyridin-2-amine
    26293 KNT
    CHEMBL21333
    DB01411
    ZINC000001542146    		 1 C27 H23 N5 O4 InChI=1S/C27H23N5O4/c33-2
    3-17-24(26-29-31-32-30-26
    )36-25-21(23)10-6-11-22(2
    5)28-27(34)19-12-14-20(15
    -13-19)35-16-5-4-9-18-7-2
    -1-3-8-18/h1-3,6-8,10-15,
    17H,4-5,9,16H2,(H,28,34)(
    H,29,30,31,32);
    NBQKINXMPLXUET-UHFFFAOYSA-N    		 c1ccc(cc1)CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3
    OC(=CC4=O)c5[nH]nnn5; O=C(Nc1cccc2C(=O)C
    =C(Oc12)c3[nH]nnn3)c4ccc(OCCCCc5ccccc5)c
    c4    		 pranlukast
    26294 KNU 1 C10 H11 Cl F N O InChI=1S/C10H11ClFNO/c1-6
    (13-7(2)14)8-3-9(11)5-10(
    12)4-8/h3-6H,1-2H3,(H,13,
    14)/t6-/m0/s1;
    UITKLCSYIUGNOE-LURJTMIESA-N    		 CC(c1cc(cc(c1)Cl)F)NC(=O)C; C[CH](NC(C)=
    O)c1cc(F)cc(Cl)c1; C[C@H](NC(C)=O)c1cc(F
    )cc(Cl)c1; Fc1cc(cc(Cl)c1)C(C)NC(C)=O; C
    [C@@H](c1cc(cc(c1)Cl)F)NC(=O)C    		 N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
    26295 KNV
    CHEMBL4590333    		 8 C20 H25 F2 N3 InChI=1S/C20H25F2N3/c1-13
    -9-16(24-19(23)10-13)5-4-
    15-11-14(12-18(21)20(15)2
    2)3-6-17-7-8-25(17)2/h9-1
    2,17H,3-8H2,1-2H3,(H2,23,
    24)/t17-/m0/s1;
    STGWAFUVRUKRNW-KRWDZBQOSA-N    		 Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCC3CCN3C;
    Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CC[C@H]3C
    CN3C; c2(CCc1cc(cc(n1)N)C)c(F)c(F)cc(c2)
    CCC3CCN3C; CN1CC[C@@H]1CCc2cc(F)c(F)c(CC
    c3cc(C)cc(N)n3)c2; CN1CC[CH]1CCc2cc(F)c(
    F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylazetidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26296 KNW 2 C30 H30 Cl F N2 O7 InChI=1S/C30H30ClFN2O7/c3
    1-23-14-11-21(32)17-20(23
    )5-1-2-16-40-22-12-9-19(1
    0-13-22)29(37)33-24-6-3-7
    -25-28(24)41-26(30(38)39)
    18-34(25)15-4-8-27(35)36/
    h3,6-7,9-14,17,26H,1-2,4-
    5,8,15-16,18H2,(H,33,37)(
    H,35,36)(H,38,39)/t26-/m0
    /s1;
    JCUVQOJHURMRKB-SANMLTNESA-N    		 OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCc
    4cc(F)ccc4Cl)cc3)cccc12)C(O)=O; c1cc(c2c
    (c1)N(CC(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc
    (cc3)OCCCCc4cc(ccc4Cl)F; c1cc(c2c(c1)N(C
    [C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc
    3)OCCCCc4cc(ccc4Cl)F; OC(=O)CCCN1C[C@H](
    Oc2c(NC(=O)c3ccc(OCCCCc4cc(F)ccc4Cl)cc3)
    cccc12)C(O)=O    		 (2~{S})-8-[[4-[4-(2-chloranyl-5-fluoranyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3- dihydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2570366
    26297 KNX 3 C27 H36 Cl2 N8 O5 InChI=1S/C27H36Cl2N8O5/c2
    8-17-5-4-15-14(9-32-10-16
    (15)20(17)29)3-1-2-7-36(8
    -6-18(30)27(40)41)11-19-2
    2(38)23(39)26(42-19)37-13
    -35-21-24(31)33-12-34-25(
    21)37/h4-5,12-14,18-19,22
    -23,26,32,38-39H,1-3,6-11
    ,30H2,(H,40,41)(H2,31,33,
    34)/t14-,18-,19+,22+,23+,
    26+/m0/s1;
    VHXBLPZYVDYOPX-STPVDRQBSA-N    		 O=C(O)C(N)CCN(CCCCC1CNCc2c1ccc(Cl)c2Cl)C
    C1OC(n2cnc3c(N)ncnc32)C(O)C1O; c1cc(c(c2
    c1C(CNC2)CCCCN(CCC(C(=O)O)N)CC3C(C(C(O3)
    n4cnc5c4ncnc5N)O)O)Cl)Cl; N[CH](CCN(CCCC
    [CH]1CNCc2c(Cl)c(Cl)ccc12)C[CH]3O[CH]([C
    H](O)[CH]3O)n4cnc5c(N)ncnc45)C(O)=O; c1c
    c(c(c2c1[C@H](CNC2)CCCCN(CC[C@@H](C(=O)O
    )N)C[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c
    4ncnc5N)O)O)Cl)Cl; N[C@@H](CCN(CCCC[C@H]
    1CNCc2c(Cl)c(Cl)ccc12)C[C@H]3O[C@H]([C@H
    ](O)[C@@H]3O)n4cnc5c(N)ncnc45)C(O)=O    		 5'-([(3S)-3-amino-3-carboxypropyl]{4-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]butyl}amino)-5'-deoxyadenosine
    26298 KNZ 1 C30 H29 F3 N2 O8 InChI=1S/C30H29F3N2O8/c31
    -20-6-3-9-24(27(20)33)42-
    15-2-1-14-41-18-11-12-19(
    21(32)16-18)29(38)34-22-7
    -4-8-23-28(22)43-25(30(39
    )40)17-35(23)13-5-10-26(3
    6)37/h3-4,6-9,11-12,16,25
    H,1-2,5,10,13-15,17H2,(H,
    34,38)(H,36,37)(H,39,40)/
    t25-/m0/s1;
    FRDYFKGGRISGHW-VWLOTQADSA-N    		 OC(=O)CCCN1C[CH](Oc2c(NC(=O)c3ccc(OCCCCO
    c4cccc(F)c4F)cc3F)cccc12)C(O)=O; OC(=O)C
    CCN1C[C@H](Oc2c(NC(=O)c3ccc(OCCCCOc4cccc
    (F)c4F)cc3F)cccc12)C(O)=O; c1cc(c2c(c1)N
    (C[C@H](O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(
    cc3F)OCCCCOc4cccc(c4F)F; c1cc(c2c(c1)N(C
    C(O2)C(=O)O)CCCC(=O)O)NC(=O)c3ccc(cc3F)O
    CCCCOc4cccc(c4F)F    		 (2~{S})-8-[[4-[4-[2,3-bis(fluoranyl)phenoxy]butoxy]-2-fluoranyl-phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-but yl)-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2080365
    26299 KO0
    CHEMBL57485
    ZINC000013443766    		 2 C22 H35 N O2 InChI=1S/C22H35NO2/c1-14-
    7-6-9-17(23(14)3)11-12-19
    -18-10-5-4-8-16(18)13-20-
    21(19)15(2)25-22(20)24/h1
    1-12,14-21H,4-10,13H2,1-3
    H3/b12-11+/t14-,15-,16+,1
    7+,18+,19-,20-,21+/m0/s1;
    FMPNFDSPHNUFOS-YOASDKSVSA-N    		 C[CH]1CCC[CH](C=C[CH]2[CH]3CCCC[CH]3C[CH
    ]4[CH]2[CH](C)OC4=O)N1C; C[C@H]1CCC[C@H]
    (/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]4[C@
    @H]2[C@H](C)OC4=O)N1C; CC1CCCC(N1C)C=CC2
    C3CCCCC3CC4C2C(OC4=O)C; C[C@H]1CCC[C@@H]
    (N1C)/C=C/[C@H]2[C@@H]3CCCC[C@@H]3C[C@H]
    4[C@@H]2[C@@H](OC4=O)C    		 Himbacine;
    (3S,3aR,4S,4R,8aR,9aS)-4-[(E)-2-[(2R,6S)-1,6-dimethylpiperidin-2-yl]ethenyl]-3-methyl-3a,4,4a,5,6,7,8,8a,9,9a-decahydro-3H-benzo[f][2]benzofuran-1-one
    26300 KO1
    ZINC000058638802    		 2 C8 H14 O9 InChI=1S/C8H14O9/c9-1-2(1
    0)5-3(11)4(12)6(13)8(16,1
    7-5)7(14)15/h2-6,9-13,16H
    ,1H2,(H,14,15)/t2-,3-,4+,
    5-,6+,8-/m1/s1;
    GQQWVQCNFJXTNV-CXERMUKYSA-N    		 OC[C@@H](O)[C@H]1O[C@](O)([C@@H](O)[C@@H
    ](O)[C@H]1O)C(O)=O; C([C@H]([C@@H]1[C@@H
    ]([C@@H]([C@@H]([C@@](O1)(C(=O)O)O)O)O)O
    )O)O; O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O;
    OC[CH](O)[CH]1O[C](O)([CH](O)[CH](O)[CH]
    1O)C(O)=O; C(C(C1C(C(C(C(O1)(C(=O)O)O)O)
    O)O)O)O    		 D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid;
    D-glycero-alpha-D-talo-oct-2-ulosonic acid;
    D-glycero-D-talo-oct-2-ulosonic acid;
    D-glycero-talo-oct-2-ulosonic acid
    26301 KO2
    ZINC000058638803    		 11 C11 H18 O9 InChI=1S/C11H18O9/c1-2-3-
    19-11(10(17)18)9(16)7(15)
    6(14)8(20-11)5(13)4-12/h2
    ,5-9,12-16H,1,3-4H2,(H,17
    ,18)/t5-,6-,7+,8-,9+,11-/
    m1/s1;
    MJWRJGHIYDIAQR-RUEXUQCSSA-N    		 OC[CH](O)[CH]1O[C](OCC=C)([CH](O)[CH](O)
    [CH]1O)C(O)=O; OC[C@@H](O)[C@H]1O[C@](OC
    C=C)([C@@H](O)[C@@H](O)[C@H]1O)C(O)=O; C
    =CCO[C@@]1([C@H]([C@H]([C@H]([C@H](O1)[C
    @@H](CO)O)O)O)O)C(=O)O; C=CCOC1(C(C(C(C(
    O1)C(CO)O)O)O)O)C(=O)O; O=C(O)C1(OC\C=C)
    OC(C(O)CO)C(O)C(O)C1O    		 prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid;
    prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid;
    prop-2-en-1-yl D-glycero-D-talo-oct-2-ulosidonic acid;
    prop-2-en-1-yl D-glycero-talo-oct-2-ulosidonic acid
    26302 KO3
    CHEMBL2179724
    DB18076
    ZINC000003981939    		 1 C27 H42 O3 InChI=1S/C27H42O3/c1-8-9-
    10-11-12-26(2,3)19-14-23(
    29-6)25(24(15-19)30-7)20-
    13-18(17-28)21-16-22(20)2
    7(21,4)5/h13-15,20-22,28H
    ,8-12,16-17H2,1-7H3/t20-,
    21+,22-/m0/s1;
    CFMRIVODIXTERW-BDTNDASRSA-N    		 CCCCCCC(C)(C)c1cc(c(c(c1)OC)C2C=C(C3CC2C
    3(C)C)CO)OC; CCCCCCC(C)(C)c1cc(c(c(c1)OC
    )[C@H]2C=C([C@H]3C[C@@H]2C3(C)C)CO)OC; C
    CCCCCC(C)(C)c1cc(OC)c([C@H]2C=C(CO)[C@H]
    3C[C@@H]2C3(C)C)c(OC)c1; CCCCCCC(C)(C)c1
    cc(OC)c([CH]2C=C(CO)[CH]3C[CH]2C3(C)C)c(
    OC)c1    		 [(1~{S},4~{S},5~{S})-4-[2,6-dimethoxy-4-(2-methyloctan-2-yl)phenyl]-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
    26303 KO4 0 H8 K O4 InChI=1/K.4H2O/h;4*1H2/rH
    8KO4/c2-1(3,4)5/h2-5H2;
    WVFORMHKBFWUNT-KSNKIKJPAO    		 [OH2][K]([OH2])([OH2])[OH2]; O|[K](|O)(|
    O)|O    		 POTASSIUM ION, 4 WATERS COORDINATED
    26304 KO5 1 C31 H33 F N2 O7 InChI=1S/C31H33FN2O7/c1-2
    0-10-13-23(32)18-22(20)6-
    2-3-17-40-24-14-11-21(12-
    15-24)30(37)33-25-7-4-8-2
    6-29(25)41-27(31(38)39)19
    -34(26)16-5-9-28(35)36/h4
    ,7-8,10-15,18,27H,2-3,5-6
    ,9,16-17,19H2,1H3,(H,33,3
    7)(H,35,36)(H,38,39)/t27-
    /m0/s1;
    AXUGAYNPVSAVSA-MHZLTWQESA-N    		 Cc1ccc(cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4c3
    O[C@@H](CN4CCCC(=O)O)C(=O)O)F; Cc1ccc(F)
    cc1CCCCOc2ccc(cc2)C(=O)Nc3cccc4N(CCCC(O)
    =O)C[C@H](Oc34)C(O)=O; Cc1ccc(cc1CCCCOc2
    ccc(cc2)C(=O)Nc3cccc4c3OC(CN4CCCC(=O)O)C
    (=O)O)F; Cc1ccc(F)cc1CCCCOc2ccc(cc2)C(=O
    )Nc3cccc4N(CCCC(O)=O)C[CH](Oc34)C(O)=O    		 (2~{S})-8-[[4-[4-(5-fluoranyl-2-methyl-phenyl)butoxy]phenyl]carbonylamino]-4-(4-oxidanyl-4-oxidanylidene-butyl)-2,3-dih ydro-1,4-benzoxazine-2-carboxylic acid;
    ONO-2770372
    26305 KO8 1 C25 H31 F N4 O3 InChI=1S/C25H31FN4O3/c1-1
    7(2)14-30-24(31)16-29(25(
    30)32)15-18-3-5-19(6-4-18
    )22-8-7-21(26)23(28-22)13
    -27-20-9-11-33-12-10-20/h
    3-8,17,20,27H,9-16H2,1-2H
    3;
    XYXSWNWZKLEZLR-UHFFFAOYSA-N    		 CC(C)CN1C(=O)CN(C1=O)Cc2ccc(cc2)c3ccc(c(
    n3)CNC4CCOCC4)F; CC(C)CN1C(=O)CN(Cc2ccc(
    cc2)c3ccc(F)c(CNC4CCOCC4)n3)C1=O    		 1-[[4-[5-fluoranyl-6-[(oxan-4-ylamino)methyl]pyridin-2-yl]phenyl]methyl]-3-(2-methylpropyl)imidazolidine-2,4-dione
    26306 KO9 1 C13 H10 N4 O InChI=1S/C13H10N4O/c14-6-
    11-4-12(9-16-8-11)17-13(1
    8)5-10-2-1-3-15-7-10/h1-4
    ,7-9H,5H2,(H,17,18);
    NFHVZMZTKNOYHY-UHFFFAOYSA-N    		 O=C(Nc1cc(cnc1)C#N)Cc1cccnc1; O=C(Cc1ccc
    nc1)Nc2cncc(c2)C#N; c1cc(cnc1)CC(=O)Nc2c
    c(cnc2)C#N    		 N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide
    26307 KOB
    ZINC000004616533    		 1 C13 H10 F N5 O4 S InChI=1S/C13H10FN5O4S/c14
    -8-1-3-9(4-2-8)15-13(24)1
    7-16-11-6-5-10(18(20)21)7
    -12(11)19(22)23/h1-7,16H,
    (H2,15,17,24);
    XAWWYTYFOCONCK-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccc(NNC(=S)Nc2ccc(F)cc2)c(
    c1)[N+]([O-])=O; Fc1ccc(cc1)NC(=S)NNc2cc
    c(cc2[N+]([O-])=O)[N+]([O-])=O; c1cc(ccc
    1NC(=S)NNc2ccc(cc2[N+](=O)[O-])[N+](=O)[
    O-])F    		 2-(2,4-dinitrophenyl)-N-(4-fluorophenyl)hydrazinecarbothioamide
    26308 KOC 1 C35 H40 F2 N5 O7 P S2 InChI=1S/C35H40F2N5O7PS2/
    c1-34(2,3)29(39-30(44)27-
    20-22-19-23(10-13-26(22)5
    2-27)35(36,37)50(47,48)49
    )33(46)42-16-6-7-25(42)32
    (45)41(17-14-28(43)40(4)5
    )24-11-8-21(9-12-24)31-38
    -15-18-51-31/h8-13,15,18-
    20,25,29H,6-7,14,16-17H2,
    1-5H3,(H,39,44)(H2,47,48,
    49)/t25-,29+/m0/s1;
    KJJHAYNANYPNEE-ABYGYWHVSA-N    		 CC(C)(C)C(C(=O)N1CCCC1C(=O)N(CCC(=O)N(C)
    C)c2ccc(cc2)c3nccs3)NC(=O)c4cc5cc(ccc5s4
    )C(F)(F)P(=O)(O)O; CN(C)C(=O)CCN(C(=O)[C
    H]1CCCN1C(=O)[CH](NC(=O)c2sc3ccc(cc3c2)C
    (F)(F)[P](O)(O)=O)C(C)(C)C)c4ccc(cc4)c5s
    ccn5; CN(C)C(=O)CCN(C(=O)[C@@H]1CCCN1C(=
    O)[C@@H](NC(=O)c2sc3ccc(cc3c2)C(F)(F)[P]
    (O)(O)=O)C(C)(C)C)c4ccc(cc4)c5sccn5; O=P
    (O)(O)C(F)(F)c1cc2cc(sc2cc1)C(=O)NC(C(=O
    )N1CCCC1C(=O)N(CCC(=O)N(C)C)c1ccc(cc1)c1
    nccs1)C(C)(C)C; CC(C)(C)[C@@H](C(=O)N1CC
    C[C@H]1C(=O)N(CCC(=O)N(C)C)c2ccc(cc2)c3n
    ccs3)NC(=O)c4cc5cc(ccc5s4)C(F)(F)P(=O)(O
    )O    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N,N-dimethyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide;
    AK2305
    26309 KOE 1 C20 H17 Br F3 N3 O4 S InChI=1S/C20H17BrF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    SPFBQIPGOIBLKZ-DABHTEOTSA-N    		 c1cc(cc(c1)Br)SC2C(C(C(C(O2)CO)O)n3cc(nn
    3)c4cc(c(c(c4)F)F)F)O; c1cc(cc(c1)Br)S[C
    @@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3
    cc(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH]
    (Sc2cccc(Br)c2)[CH](O)[CH]([CH]1O)n3cc(n
    n3)c4cc(F)c(F)c(F)c4; OC[C@H]1O[C@H](Sc2
    cccc(Br)c2)[C@H](O)[C@H]([C@H]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    26310 KOF
    ZINC000064634206    		 8 C10 H21 O12 P InChI=1S/C10H21O12P/c11-1
    -6-8(15)9(16)10(22-6)20-2
    -4(12)7(14)5(13)3-21-23(1
    7,18)19/h4-16H,1-3H2,(H2,
    17,18,19)/t4-,5+,6+,7-,8+
    ,9+,10+/m0/s1;
    JWGOVVCXUKJSKW-DWMNMWHPSA-N    		 OC[CH]1O[CH](OC[CH](O)[CH](O)[CH](O)CO[P
    ](O)(O)=O)[CH](O)[CH]1O; C(C1C(C(C(O1)OC
    C(C(C(COP(=O)(O)O)O)O)O)O)O)O; C([C@@H]1
    [C@H]([C@H]([C@@H](O1)OC[C@@H]([C@@H]([C
    @@H](COP(=O)(O)O)O)O)O)O)O)O; OC[C@H]1O[
    C@@H](OC[C@H](O)[C@H](O)[C@H](O)CO[P](O)
    (O)=O)[C@H](O)[C@@H]1O    		 beta-D-ribosyl-(1->
    1)-D-ribitol-5-phosphate;
    (2R,3S,4S)-5-(((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)oxy)-2,3,4-trihydroxypentyl hydrogen phosphate
    26311 KOH
    ZINC000584905567    		 2 C12 H11 Cl N2 O3 InChI=1S/C12H11ClN2O3/c13
    -9-7-8(12-14-4-5-15-12)1-
    2-10(9)18-6-3-11(16)17/h1
    -2,4-5,7H,3,6H2,(H,14,15)
    (H,16,17);
    JDFUCVHWLSVLIA-UHFFFAOYSA-N    		 OC(=O)CCOc1ccc(cc1Cl)c2[nH]ccn2; c1cc(c(
    cc1c2[nH]ccn2)Cl)OCCC(=O)O    		 3-[2-chloranyl-4-(1~{H}-imidazol-2-yl)phenoxy]propanoic acid
    26312 KOI
    CHEMBL4745997
    ZINC000067797067    		 1 C13 H11 Cl N2 O InChI=1S/C13H11ClN2O/c14-
    11-4-1-3-10(7-11)8-13(17)
    16-12-5-2-6-15-9-12/h1-7,
    9H,8H2,(H,16,17);
    JXVSAHMJMLDNGG-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)Nc2cccnc2; Clc1cccc(
    CC(=O)Nc2cccnc2)c1; O=C(Nc1cccnc1)Cc1ccc
    c(Cl)c1    		 2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide
    26313 KOJ
    CHEMBL287556
    DB01759
    ZINC000013831818    		 16 C6 H6 O4 InChI=1S/C6H6O4/c7-2-4-1-
    5(8)6(9)3-10-4/h1,3,7,9H,
    2H2;
    BEJNERDRQOWKJM-UHFFFAOYSA-N    		 OCC1=CC(=O)C(=CO1)O; C1=C(OC=C(C1=O)O)CO
    ; O=C1C=C(OC=C1O)CO    		 5-HYDROXY-2-(HYDROXYMETHYL)-4H-PYRAN-4-ONE
    26314 KOK 2 C11 H10 N4 O InChI=1S/C11H10N4O/c16-11
    (15-8-6-12-13-15)14-7-5-9
    -3-1-2-4-10(9)14/h1-4,6,8
    H,5,7H2;
    YHDLKWQIQYNPEK-UHFFFAOYSA-N    		 c1ccc2c(c1)CCN2C(=O)n3ccnn3; O=C(n1ccnn1
    )N2CCc3ccccc23; O=C(n1ccnn1)N2c3c(CC2)cc
    cc3    		 (2,3-dihydro-1H-indol-1-yl)(1H-1,2,3-triazol-1-yl)methanone
    26315 KOL 0 C17 H27 N3 O5 S InChI=1S/C17H27N3O5S/c1-8
    -13(11(7-21)9(2)22)19-14(
    17(24)25)15(8)26-10-5-12(
    18-6-10)16(23)20(3)4/h7-1
    3,18-19,22H,5-6H2,1-4H3,(
    H,24,25)/t8-,9-,10+,11-,1
    2+,13-/m1/s1;
    DYQHXZPAIVAJRU-HTXLXMOSSA-N    		 CC1C(NC(=C1SC2CC(NC2)C(=O)N(C)C)C(=O)O)C
    (C=O)C(C)O; C[CH](O)[CH](C=O)[CH]1NC(=C(
    S[CH]2CN[CH](C2)C(=O)N(C)C)[CH]1C)C(O)=O
    ; C[C@@H](O)[C@@H](C=O)[C@@H]1NC(=C(S[C@
    @H]2CN[C@@H](C2)C(=O)N(C)C)[C@@H]1C)C(O)
    =O; O=C(O)C2=C(SC1CC(C(=O)N(C)C)NC1)C(C(
    N2)C(C=O)C(O)C)C; C[C@@H]1[C@@H](NC(=C1S
    [C@H]2C[C@H](NC2)C(=O)N(C)C)C(=O)O)[C@H]
    (C=O)[C@@H](C)O    		 (4R,5S)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid;
    Meropenem, open form
    26316 KOM
    CHEMBL1233867
    DB08049
    ZINC000000406883    		 1 C15 H10 O4 InChI=1S/C15H10O4/c16-12-
    7-6-10-11(9-4-2-1-3-5-9)8
    -13(17)19-15(10)14(12)18/
    h1-8,16,18H;
    JRVIIPJSVKTPBK-UHFFFAOYSA-N    		 c1ccc(cc1)C2=CC(=O)Oc3c2ccc(c3O)O; Oc1cc
    c2c(OC(=O)C=C2c3ccccc3)c1O; O=C2Oc1c(O)c
    (O)ccc1C(=C2)c3ccccc3    		 7,8-dihydroxy-4-phenyl-2H-chromen-2-one;
    4-phenyl-7,8-dihydroxycoumarine
    26317 KON 1 C20 H17 F3 I N3 O4 S InChI=1S/C20H17F3IN3O4S/c
    21-12-4-9(5-13(22)16(12)2
    3)14-7-27(26-25-14)17-18(
    29)15(8-28)31-20(19(17)30
    )32-11-3-1-2-10(24)6-11/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    IJLSMJUIROKJFU-DABHTEOTSA-N    		 OC[CH]1O[CH](Sc2cccc(I)c2)[CH](O)[CH]([C
    H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]
    1O[C@H](Sc2cccc(I)c2)[C@H](O)[C@H]([C@H]
    1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; c1cc(cc(c
    1)I)S[C@@H]2[C@@H]([C@H]([C@H]([C@H](O2)
    CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O; c1cc(
    cc(c1)I)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c4cc
    (c(c(c4)F)F)F)O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    26318 KOO 2 C52 H54 F2 N7 O10 P S2 InChI=1S/C52H54F2N7O10PS2
    /c1-51(2,3)44(57-46(65)41
    -29-33-28-34(16-20-40(33)
    74-41)52(53,54)72(69,70)7
    1)50(68)60-25-9-13-39(60)
    49(67)59(35-17-14-32(15-1
    8-35)47-55-23-27-73-47)26
    -22-43(63)58(4)24-7-5-6-1
    0-31-11-8-12-36-37(31)30-
    61(48(36)66)38-19-21-42(6
    2)56-45(38)64/h8,11-12,14
    -18,20,23,27-29,38-39,44H
    ,5,7,9,13,19,21-22,24-26,
    30H2,1-4H3,(H,57,65)(H,56
    ,62,64)(H2,69,70,71)/t38-
    ,39+,44-/m1/s1;
    LOPYPDQOHNOVBM-JUDNIGJXSA-N    		 CN(CCCC#Cc1cccc2C(=O)N(Cc12)[CH]3CCC(=O)
    NC3=O)C(=O)CCN(C(=O)[CH]4CCCN4C(=O)[CH](
    NC(=O)c5sc6ccc(cc6c5)C(F)(F)[P](O)(O)=O)
    C(C)(C)C)c7ccc(cc7)c8sccn8; CN(CCCC#Cc1c
    ccc2C(=O)N(Cc12)[C@@H]3CCC(=O)NC3=O)C(=O
    )CCN(C(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)
    c5sc6ccc(cc6c5)C(F)(F)[P](O)(O)=O)C(C)(C
    )C)c7ccc(cc7)c8sccn8; CC(C)(C)C(C(=O)N1C
    CCC1C(=O)N(CCC(=O)N(C)CCCC#Cc2cccc3c2CN(
    C3=O)C4CCC(=O)NC4=O)c5ccc(cc5)c6nccs6)NC
    (=O)c7cc8cc(ccc8s7)C(F)(F)P(=O)(O)O; CC(
    C)(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N(CCC(=
    O)N(C)CCCC#Cc2cccc3c2CN(C3=O)[C@@H]4CCC(
    =O)NC4=O)c5ccc(cc5)c6nccs6)NC(=O)c7cc8cc
    (ccc8s7)C(F)(F)P(=O)(O)O; O=P(O)(O)C(F)(
    F)c1cc2cc(sc2cc1)C(=O)NC(C(=O)N1CCCC1C(=
    O)N(CCC(=O)N(C)CCCC#Cc1cccc2C(=O)N(Cc21)
    C1CCC(=O)NC1=O)c1ccc(cc1)c1nccs1)C(C)(C)
    C    		 N-{5-[difluoro(phosphono)methyl]-1-benzothiophene-2-carbonyl}-3-methyl-L-valyl-L-prolyl-N-(5-{2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-4-yl}pent-4-yn-1-yl)-N-methyl-N~3~-[4-(1,3-thiazol-2-yl)phenyl]-beta-alaninamide;
    AK2292
    26319 KOP
    CHEMBL344340
    ZINC000043919916    		 1 C H5 O4 P InChI=1S/CH5O4P/c1-5-6(2,
    3)4/h1H3,(H2,2,3,4);
    CAAULPUQFIIOTL-UHFFFAOYSA-N    		 COP(=O)(O)O; CO[P](O)(O)=O; O=P(OC)(O)O methyl dihydrogen phosphate
    26320 KOQ 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-3-1-8(2-4-9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    GENRCHHKNABMLO-CPMKIQJPSA-N    		 c1cc(ccc1c2cn(nn2)[C@H]3[C@H]([C@H](O[C@
    H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([
    C@H](O4)CO)O)O)O)CO)O)F; c1cc(ccc1c2cn(n
    n2)C3C(C(OC(C3O)SC4C(C(C(C(O4)CO)O)O)O)C
    O)O)F; OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO
    )[C@H](O)[C@@H]([C@H]2O)n3cc(nn3)c4ccc(F
    )cc4)[C@H](O)[C@@H](O)[C@@H]1O; OC[CH]1O
    [CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O)n
    3cc(nn3)c4ccc(F)cc4)[CH](O)[CH](O)[CH]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(4-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    26321 KOR 0 C7 H15 N3 O5 S2 InChI=1S/C7H15N3O5S2/c8-4
    (6(11)12)1-2-16-10-17(15)
    3-5(9)7(13)14/h4-5,10H,1-
    3,8-9H2,(H,11,12)(H,13,14
    )/t4-,5-,17+/m0/s1;
    XTMCQXZWONKOFP-QJBRIOCBSA-N    		 C(CSN[S@](=O)C[C@@H](C(=O)O)N)[C@@H](C(=
    O)O)N; N[CH](CCSN[S](=O)C[CH](N)C(O)=O)C
    (O)=O; C(CSNS(=O)CC(C(=O)O)N)C(C(=O)O)N;
    N[C@@H](CCSN[S@](=O)C[C@H](N)C(O)=O)C(O
    )=O; O=S(NSCCC(N)C(=O)O)CC(C(=O)O)N    		 L-HOMOCYSTEINE-S-N-S-L-CYSTEINE;
    N-THIOSULFOXIMIDE
    26322 KOS
    CHEMBL383824
    DB12442
    ZINC000100030312    		 1 C32 H48 N4 O8 InChI=1S/C32H48N4O8/c1-18
    -14-22-27(34-12-13-36(5)6
    )24(37)17-23(29(22)39)35-
    31(40)19(2)10-9-11-25(42-
    7)30(44-32(33)41)21(4)16-
    20(3)28(38)26(15-18)43-8/
    h9-11,16-18,20,25-26,28,3
    0,34,38H,12-15H2,1-8H3,(H
    2,33,41)(H,35,40)/b11-9-,
    19-10+,21-16+/t18-,20+,25
    +,26+,28-,30+/m1/s1;
    KUFRQPKVAWMTJO-LMZWQJSESA-N    		 O=C1C(NCCN(C)C)=C2C(=O)C(=C1)NC(=O)C(=CC
    =CC(OC)C(OC(=O)N)C(=CC(C)C(O)C(OC)CC(C)C
    2)C)C; CO[C@H]1C[C@H](C)CC2=C(NCCN(C)C)C
    (=O)C=C(NC(=O)\C(=C\C=C/[C@H](OC)[C@@H](
    OC(N)=O)\C(=C\[C@H](C)[C@H]1O)C)C)C2=O;
    CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)
    C(=C(C1)C2=O)NCCN(C)C)C)OC)OC(=O)N)C)C)O
    )OC; CO[CH]1C[CH](C)CC2=C(NCCN(C)C)C(=O)
    C=C(NC(=O)C(=CC=C[CH](OC)[CH](OC(N)=O)C(
    =C[CH](C)[CH]1O)C)C)C2=O; C[C@H]1C[C@@H]
    ([C@@H]([C@H](\C=C(\[C@@H]([C@H](\C=C/C=
    C(/C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN(C)C)
    \C)OC)OC(=O)N)/C)C)O)OC    		 17-DESMETHOXY-17-N,N-DIMETHYLAMINOETHYLAMINO-GELDANAMYCIN;
    17-DMAG
    26323 KOT
    CHEMBL601227
    ZINC000035823861    		 1 C14 H17 N3 O5 InChI=1S/C14H17N3O5/c18-7
    -10-11(19)12(20)13(21)14(
    22-10)17-6-9(15-16-17)8-4
    -2-1-3-5-8/h1-6,10-14,18-
    21H,7H2/t10-,11-,12+,13-,
    14-/m1/s1;
    SLCZDPXCZLKLKY-RKQHYHRCSA-N    		 c1ccc(cc1)c2cn(nn2)[C@H]3[C@@H]([C@H]([C
    @@H]([C@H](O3)CO)O)O)O; OC[C@H]1O[C@H]([
    C@H](O)[C@@H](O)[C@@H]1O)n2cc(nn2)c3cccc
    c3; c1ccc(cc1)c2cn(nn2)C3C(C(C(C(O3)CO)O
    )O)O; n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)
    CO; OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)n2
    cc(nn2)c3ccccc3    		 1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole;
    1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole;
    1-D-glucosyl-4-phenyl-1H-1,2,3-triazole;
    1-glucosyl-4-phenyl-1H-1,2,3-triazole
    26324 KOU
    ZINC000058650511    		 31 C11 H15 N2 O8 P InChI=1S/C11H15N2O8P/c1-6
    -10(15)8(3-13-9(4-14)11(1
    6)17)7(2-12-6)5-21-22(18,
    19)20/h2-3,9,14-15H,4-5H2
    ,1H3,(H,16,17)(H2,18,19,2
    0)/b13-3+/t9-/m0/s1;
    ZTQZHYMXYBDMIL-BIMOUXMDSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=N[C@@H](CO)C(O)
    =O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)/C=N/C(
    CO)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)C=
    NC(CO)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)c(C
    =N[CH](CO)C(O)=O)c1O; O=C(O)C(/N=C/c1c(c
    nc(c1O)C)COP(=O)(O)O)CO    		 (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine
    26325 KOV
    CHEMBL1436
    DB01112
    ZINC000003871978    		 1 C16 H16 N4 O8 S InChI=1S/C16H16N4O8S/c1-2
    6-19-9(8-3-2-4-27-8)12(21
    )18-10-13(22)20-11(15(23)
    24)7(5-28-16(17)25)6-29-1
    4(10)20/h2-4,10,14H,5-6H2
    ,1H3,(H2,17,25)(H,18,21)(
    H,23,24)/b19-9-/t10-,14-/
    m1/s1;
    JFPVXVDWJQMJEE-IZRZKJBUSA-N    		 CON=C(C(=O)N[CH]1[CH]2SCC(=C(N2C1=O)C(O)
    =O)COC(N)=O)c3occc3; O=C(O)C=2N3C(=O)C(N
    C(=O)C(=N\OC)/c1occc1)C3SCC=2COC(=O)N; C
    O/N=C(/c1ccco1)\C(=O)N[C@H]2[C@@H]3N(C2=
    O)C(=C(CS3)COC(=O)N)C(=O)O; CO/N=C(C(=O)
    N[C@H]1[C@H]2SCC(=C(N2C1=O)C(O)=O)COC(N)
    =O)/c3occc3; CON=C(c1ccco1)C(=O)NC2C3N(C
    2=O)C(=C(CS3)COC(=O)N)C(=O)O    		 (6R,7R)-3-[(carbamoyloxy)methyl]-7-{[(2Z)-2-(furan-2-yl)-2-(methoxyimino)acetyl]amino}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;
    Cefuroxime
    26326 KOW 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-3-1-2-8(4-9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    PZQVUALSHLQTOK-CPMKIQJPSA-N    		 OC[CH]1O[CH](S[CH]2O[CH](CO)[CH](O)[CH](
    [CH]2O)n3cc(nn3)c4cccc(F)c4)[CH](O)[CH](
    O)[CH]1O; c1cc(cc(c1)F)c2cn(nn2)C3C(C(OC
    (C3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O; c1cc(c
    c(c1)F)c2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]
    ([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@
    H](O4)CO)O)O)O)CO)O; OC[C@H]1O[C@@H](S[C
    @@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n3
    cc(nn3)c4cccc(F)c4)[C@H](O)[C@@H](O)[C@@
    H]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    26327 KOX 2 C11 H9 Cl N2 O S InChI=1S/C11H9ClN2OS/c12-
    9-4-2-1-3-8(9)7-16-10-5-6
    -13-11(15)14-10/h1-4,6H,5
    ,7H2;
    QZJFKUCKQQRGHU-UHFFFAOYSA-N    		 c1ccc(c(c1)CSC2=NC(=O)N=CC2)Cl; Clc1cccc
    c1CSC2=NC(=O)N=CC2    		 4-[(2-chlorophenyl)methylsulfanyl]-5~{H}-pyrimidin-2-one
    26328 KOY 1 C26 H25 N5 O7 InChI=1S/C26H25N5O7/c27-2
    3-20-24(29-12-28-23)31(13
    -30-20)25-22(34)21(33)19(
    38-25)11-37-15-5-3-4-14(1
    0-15)8-9-18(32)16-6-1-2-7
    -17(16)26(35)36/h1-7,10,1
    2-13,19,21-22,25,33-34H,8
    -9,11H2,(H,35,36)(H2,27,2
    8,29)/t19-,21-,22-,25-/m1
    /s1;
    GEMGRSMVWNUQGG-PTGPVQHPSA-N    		 c12n(cnc1c(ncn2)N)C5OC(COc4cc(CCC(c3c(C(
    O)=O)cccc3)=O)ccc4)C(O)C5O; c1ccc(c(c1)C
    (=O)CCc2cccc(c2)OCC3C(C(C(O3)n4cnc5c4ncn
    c5N)O)O)C(=O)O; Nc1ncnc2n(cnc12)[C@@H]3O
    [C@H](COc4cccc(CCC(=O)c5ccccc5C(O)=O)c4)
    [C@@H](O)[C@H]3O; c1ccc(c(c1)C(=O)CCc2cc
    cc(c2)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)C(=O)O; Nc1ncnc2n(cnc12)
    [CH]3O[CH](COc4cccc(CCC(=O)c5ccccc5C(O)=
    O)c4)[CH](O)[CH]3O    		 5'-O-{3-[3-(2-carboxyphenyl)-3-oxopropyl]phenyl}adenosine
    26329 KOZ 1 C20 H17 Cl F3 N3 O4 S InChI=1S/C20H17ClF3N3O4S/
    c21-10-2-1-3-11(6-10)32-2
    0-19(30)17(18(29)15(8-28)
    31-20)27-7-14(25-26-27)9-
    4-12(22)16(24)13(23)5-9/h
    1-7,15,17-20,28-30H,8H2/t
    15-,17+,18+,19-,20-/m1/s1;
    MJHCQQXAUYYTBY-DABHTEOTSA-N    		 OC[C@H]1O[C@H](Sc2cccc(Cl)c2)[C@H](O)[C@
    H]([C@H]1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; c
    1cc(cc(c1)Cl)S[C@@H]2[C@@H]([C@H]([C@H](
    [C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F
    )O; c1cc(cc(c1)Cl)SC2C(C(C(C(O2)CO)O)n3c
    c(nn3)c4cc(c(c(c4)F)F)F)O; OC[CH]1O[CH](
    Sc2cccc(Cl)c2)[CH](O)[CH]([CH]1O)n3cc(nn
    3)c4cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    26330 KP0 1 C20 H24 Cl N3 O InChI=1S/C20H24ClN3O/c21-
    17-8-4-10-19(14-17)24(13-
    11-16-6-2-1-3-7-16)20(25)
    23-18-9-5-12-22-15-18/h4-
    5,8-10,12,14-16H,1-3,6-7,
    11,13H2,(H,23,25);
    GCADPMUYKNHGSM-UHFFFAOYSA-N    		 Clc1cccc(c1)N(CCC2CCCCC2)C(=O)Nc3cccnc3;
    O=C(Nc1cccnc1)N(CCC1CCCCC1)c1cccc(Cl)c1
    ; c1cc(cc(c1)Cl)N(CCC2CCCCC2)C(=O)Nc3ccc
    nc3    		 N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea
    26331 KP1
    ZINC000000388623    		 1 C7 H16 O2 InChI=1S/C7H16O2/c1-6(2,8
    )5-7(3,4)9/h8-9H,5H2,1-4H
    3;
    DBTGFWMBFZBBEF-UHFFFAOYSA-N    		 CC(C)(O)CC(C)(C)O; CC(C)(CC(C)(C)O)O; OC
    (C)(C)CC(O)(C)C    		 2,4-dimethylpentane-2,4-diol
    26332 KP2
    CHEMBL3318803
    ZINC000038997834    		 4 C12 H11 N5 InChI=1S/C12H11N5/c13-10-
    9-8(7-4-2-1-3-5-7)6-15-11
    (9)17-12(14)16-10/h1-6H,(
    H5,13,14,15,16,17);
    LEOTWBKRAWDNPV-UHFFFAOYSA-N    		 Nc1nc(N)c2c([nH]cc2c3ccccc3)n1; c1ccc(cc
    1)c2c[nH]c3c2c(nc(n3)N)N; n1c(c2c(nc1N)n
    cc2c3ccccc3)N    		 5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
    26333 KP3
    CHEMBL1170851
    ZINC000070672951    		 1 C28 H32 N8 O8 InChI=1S/C28H32N8O8/c1-13
    (4-5-16-21(37)19-17(9-43-
    28(19)40)14(2)24(16)41-3)
    6-35-7-15(33-34-35)8-42-1
    0-18-22(38)23(39)27(44-18
    )36-12-32-20-25(29)30-11-
    31-26(20)36/h4,7,11-12,18
    ,22-23,27,37-39H,5-6,8-10
    H2,1-3H3,(H2,29,30,31)/b1
    3-4+/t18-,22-,23-,27-/m1/
    s1;
    KHAINKCXZBTBIV-WDLZNNHFSA-N    		 COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)Cn3cc(
    COC[C@H]4O[C@H]([C@H](O)[C@@H]4O)n5cnc6c
    (N)ncnc56)nn3; O=C2c1c(O)c(c(c(c1CO2)C)O
    C)C\C=C(/C)Cn3cc(nn3)COCC6C(O)C(C(n4cnc5
    c4ncnc5N)O6)O; Cc1c2c(c(c(c1OC)C/C=C(\C)
    /Cn3cc(nn3)COC[C@@H]4[C@H]([C@H]([C@@H](
    O4)n5cnc6c5ncnc6N)O)O)O)C(=O)OC2; Cc1c2c
    (c(c(c1OC)CC=C(C)Cn3cc(nn3)COCC4C(C(C(O4
    )n5cnc6c5ncnc6N)O)O)O)C(=O)OC2; COc1c(C)
    c2COC(=O)c2c(O)c1CC=C(C)Cn3cc(COC[CH]4O[
    CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)nn3    		 5'-O-({1-[(2E)-4-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-2-benzofuran-5-yl)-2-methylbut-2-en-1-yl]-1H-1,2,3-triazol-4-yl}methyl)adenosine
    26334 KP5 1 C20 H26 F N3 O9 S InChI=1S/C20H26FN3O9S/c21
    -9-4-2-1-3-8(9)10-5-24(23
    -22-10)13-14(27)11(6-25)3
    2-19(16(13)29)34-20-18(31
    )17(30)15(28)12(7-26)33-2
    0/h1-5,11-20,25-31H,6-7H2
    /t11-,12-,13+,14+,15-,16-
    ,17+,18-,19+,20+/m1/s1;
    YTGURWPREJHRAC-CPMKIQJPSA-N    		 c1ccc(c(c1)c2cn(nn2)[C@H]3[C@H]([C@H](O[
    C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]
    ([C@H](O4)CO)O)O)O)CO)O)F; OC[C@H]1O[C@@
    H](S[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H
    ]2O)n3cc(nn3)c4ccccc4F)[C@H](O)[C@@H](O)
    [C@@H]1O; c1ccc(c(c1)c2cn(nn2)C3C(C(OC(C
    3O)SC4C(C(C(C(O4)CO)O)O)O)CO)O)F; OC[CH]
    1O[CH](S[CH]2O[CH](CO)[CH](O)[CH]([CH]2O
    )n3cc(nn3)c4ccccc4F)[CH](O)[CH](O)[CH]1O    		 (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(2-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)oxane-3,4,5-triol
    26335 KP6
    ZINC000019090604    		 12 C8 H14 N2 O InChI=1S/C8H14N2O/c1-6-8(
    4-5-11)7(2)10(3)9-6/h11H,
    4-5H2,1-3H3;
    QESMYIFDOLAREQ-UHFFFAOYSA-N    		 OCCc1c(nn(c1C)C)C; Cn1nc(C)c(CCO)c1C; Cc
    1c(c(n(n1)C)C)CCO    		 2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanol
    26336 KP8 1 C20 H18 F3 N3 O4 S InChI=1S/C20H18F3N3O4S/c2
    1-12-6-10(7-13(22)16(12)2
    3)14-8-26(25-24-14)17-18(
    28)15(9-27)30-20(19(17)29
    )31-11-4-2-1-3-5-11/h1-8,
    15,17-20,27-29H,9H2/t15-,
    17+,18+,19-,20-/m1/s1;
    QOSVQZAABZLGFI-DABHTEOTSA-N    		 c1ccc(cc1)S[C@@H]2[C@@H]([C@H]([C@H]([C@
    H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O;
    OC[CH]1O[CH](Sc2ccccc2)[CH](O)[CH]([CH]
    1O)n3cc(nn3)c4cc(F)c(F)c(F)c4; OC[C@H]1O
    [C@H](Sc2ccccc2)[C@H](O)[C@H]([C@H]1O)n3
    cc(nn3)c4cc(F)c(F)c(F)c4; c1ccc(cc1)SC2C
    (C(C(C(O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)
    F)O    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    26337 KP9 20 C33 H36 N4 O6 InChI=1S/C33H36N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8-9,11,14-15,26,35H,2
    ,7,10,12-13H2,1,3-6H3,(H,
    36,43)(H,37,42)(H,38,39)(
    H,40,41)/b11-9+,27-14-,28
    -15-/t26-/m1/s1;
    DWOKJMXOEBXRPB-ZHKKBVGESA-N    		 CCC\1=C(C(=O)N/C1=C\c2c(c(c([nH]2)/C=C\3
    /C(=C(C(=N3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C
    )/C=C/C(=O)O)CCC(=O)O)C)C; CCC1=C(C(=O)N
    C1=Cc2c(c(c([nH]2)C=C3C(=C(C(=N3)CC4C(=C
    (C(=O)N4)C=C)C)C)C=CC(=O)O)CCC(=O)O)C)C;
    O=C(O)CCc1c(C)c(/C=C2\NC(=O)C(C)=C2CC)[
    NH]c1/C=C1\N=C(CC2NC(=O)C(C=C)=C2C)C(C)=
    C1/C=C/C(=O)O; CCC1=C(C)C(=O)NC1=Cc2[nH]
    c(C=C3N=C(C[CH]4NC(=O)C(=C4C)C=C)C(=C3C=
    CC(O)=O)C)c(CCC(O)=O)c2C; CCC/1=C(C)C(=O
    )NC/1=C/c2[nH]c(/C=C/3N=C(C[C@H]4NC(=O)C
    (=C4C)C=C)C(=C/3/C=C/C(O)=O)C)c(CCC(O)=O
    )c2C    		 Bilin 618 (single linked);
    (1R,4S,5R)-3-(BENZO[B]THIOPHEN-2-YL)METHOXY-1,4,5-TRIHYDROXY-2-(THIEN-2-YL)METHYLCYCLOHEX-2-EN-1-CARBOXYLATE
    26338 KPA
    ZINC000024687891    		 1 C5 H9 O6 P InChI=1S/C5H9O6P/c6-4(5(7
    )8)2-1-3-12(9,10)11/h1-3H
    2,(H,7,8)(H2,9,10,11);
    UFXCSKVWNXIICO-UHFFFAOYSA-N    		 C(CC(=O)C(=O)O)CP(=O)(O)O; OC(=O)C(=O)CC
    C[P](O)(O)=O; O=C(C(=O)O)CCCP(=O)(O)O    		 2-OXO-5-PHOSPHONOPENTANOIC ACID
    26339 KPB 1 C20 H17 F4 N3 O4 S InChI=1S/C20H17F4N3O4S/c2
    1-10-2-1-3-11(6-10)32-20-
    19(30)17(18(29)15(8-28)31
    -20)27-7-14(25-26-27)9-4-
    12(22)16(24)13(23)5-9/h1-
    7,15,17-20,28-30H,8H2/t15
    -,17+,18+,19-,20-/m1/s1;
    KBRYUNRFSOLXEK-DABHTEOTSA-N    		 c1cc(cc(c1)SC2C(C(C(C(O2)CO)O)n3cc(nn3)c
    4cc(c(c(c4)F)F)F)O)F; c1cc(cc(c1)S[C@@H]
    2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(n
    n3)c4cc(c(c(c4)F)F)F)O)F; OC[CH]1O[CH](S
    c2cccc(F)c2)[CH](O)[CH]([CH]1O)n3cc(nn3)
    c4cc(F)c(F)c(F)c4; OC[C@H]1O[C@H](Sc2ccc
    c(F)c2)[C@H](O)[C@H]([C@H]1O)n3cc(nn3)c4
    cc(F)c(F)c(F)c4    		 (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol
    26340 KPC
    DB03163
    ZINC000001532281    		 7 C5 H10 O4 S2 InChI=1S/C5H10O4S2/c1-5(6
    )4-10-2-3-11(7,8)9/h2-4H2
    ,1H3,(H,7,8,9);
    CRNXHFXAXBWIRH-UHFFFAOYSA-N    		 CC(=O)CSCCS(=O)(=O)O; CC(=O)CSCC[S](O)(=
    O)=O; O=S(=O)(O)CCSCC(=O)C    		 (2-[2-KETOPROPYLTHIO]ETHANESULFONATE
    26341 KPF
    ZINC000263621204    		 0 C9 H15 F N2 O4 InChI=1S/C9H15FN2O4/c10-5
    -7(9(15)16)12-4-2-1-3-6(1
    1)8(13)14/h6H,1-5,11H2,(H
    ,13,14)(H,15,16)/b12-7+/t
    6-/m0/s1;
    WXGQZGWULWCASD-AVIBYBNCSA-N    		 C(CC/N=C(\CF)/C(=O)O)C[C@@H](C(=O)O)N; N
    [CH](CCCCN=C(CF)C(O)=O)C(O)=O; N[C@@H](C
    CCCN=C(CF)C(O)=O)C(O)=O; C(CCN=C(CF)C(=O
    )O)CC(C(=O)O)N    		 N-(1-carboxy-2-fluoro-ethenyl) lysine
    26342 KPG
    ZINC000098209084    		 1 C6 H13 O10 P InChI=1S/C6H13O10P/c7-2(1
    -16-17(13,14)15)3(8)4(9)5
    (10)6(11)12/h3-6,8-12H,1H
    2,(H2,13,14,15)/t3-,4+,5+
    /m1/s1;
    GGBBRMAUDBKNLU-WISUUJSJSA-N    		 C(C(=O)[C@H]([C@@H]([C@@H](C(O)O)O)O)O)O
    P(=O)(O)O; C(C(=O)C(C(C(C(O)O)O)O)O)OP(=
    O)(O)O; OC(O)[CH](O)[CH](O)[CH](O)C(=O)C
    O[P](O)(O)=O; OC(O)[C@@H](O)[C@@H](O)[C@
    H](O)C(=O)CO[P](O)(O)=O    		 [(3S,4R,5S)-3,4,5,6,6-pentahydroxy-2-oxo-hexyl] dihydrogen phosphate
    26343 KPH
    ZINC000005410581    		 0 C5 H15 N2 O3 P InChI=1S/C5H15N2O3P/c6-4-
    2-1-3-5(7)11(8,9)10/h5H,1
    -4,6-7H2,(H2,8,9,10)/t5-/
    m1/s1;
    LKFHLBGDPDYWSG-RXMQYKEDSA-N    		 C(CCN)CC(N)P(=O)(O)O; C(CCN)C[C@H](N)P(=
    O)(O)O; O=P(O)(O)C(N)CCCCN; NCCCC[C@H](N
    )[P](O)(O)=O; NCCCC[CH](N)[P](O)(O)=O    		 [(1R)-1,5-diaminopentyl]phosphonic acid
    26344 KPI
    ZINC000058650743    		 0 C9 H16 N2 O4 InChI=1S/C9H16N2O4/c1-6(8
    (12)13)11-5-3-2-4-7(10)9(
    14)15/h7H,2-5,10H2,1H3,(H
    ,12,13)(H,14,15)/b11-6+/t
    7-/m0/s1;
    JXBWDTJQFXOTMZ-KEXZDQNZSA-N    		 CC(=NCCCC[CH](N)C(O)=O)C(O)=O; CC(=NCCCC
    [C@H](N)C(O)=O)C(O)=O; C/C(=N\CCCC[C@@H]
    (C(=O)O)N)/C(=O)O; CC(=NCCCCC(C(=O)O)N)C
    (=O)O; OC(C(N)CCCC\N=C(/C)C(O)=O)=O    		 (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid
    26345 KPJ
    CHEMBL4532683    		 4 C21 H27 F2 N3 InChI=1S/C21H27F2N3/c1-14
    -10-17(25-20(24)11-14)7-6
    -16-12-15(13-19(22)21(16)
    23)5-8-18-4-3-9-26(18)2/h
    10-13,18H,3-9H2,1-2H3,(H2
    ,24,25)/t18-/m1/s1;
    DWIFPRVVASXUJK-GOSISDBHSA-N    		 CN1CCC[C@@H]1CCc2cc(F)c(F)c(CCc3cc(C)cc(
    N)n3)c2; Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)C
    C[C@H]3CCCN3C; c3(CCc1cc(cc(N)n1)C)cc(CC
    C2CCCN2C)cc(c3F)F; Cc1cc(nc(c1)N)CCc2cc(
    cc(c2F)F)CCC3CCCN3C; CN1CCC[CH]1CCc2cc(F
    )c(F)c(CCc3cc(C)cc(N)n3)c2    		 6-[2-(2,3-difluoro-5-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}phenyl)ethyl]-4-methylpyridin-2-amine
    26346 KPK
    CHEMBL1807642
    ZINC000034608219    		 1 C21 H20 N2 O2 S2 InChI=1S/C21H20N2O2S2/c1-
    14-6-4-9-18-20(14)15(13-2
    7-18)12-23-17-8-3-2-7-16(
    17)22-21(23)26-11-5-10-19
    (24)25/h2-4,6-9,13H,5,10-
    12H2,1H3,(H,24,25);
    YSOMBHFITHOMPW-UHFFFAOYSA-N    		 Cc1cccc2scc(Cn3c(SCCCC(O)=O)nc4ccccc34)c
    12; Cc1cccc2c1c(cs2)Cn3c4ccccc4nc3SCCCC(
    =O)O; O=C(O)CCCSc2nc1ccccc1n2Cc3c4c(cccc
    4sc3)C    		 4-({1-[(4-methyl-1-benzothiophen-3-yl)methyl]-1H-benzimidazol-2-yl}sulfanyl)butanoic acid
    26347 KPL
    DB03795
    ZINC000001532800    		 14 C6 H10 O4 InChI=1S/C6H10O4/c1-6(2,3
    -7)4(8)5(9)10/h7H,3H2,1-2
    H3,(H,9,10);
    PKVVTUWHANFMQC-UHFFFAOYSA-N    		 CC(C)(CO)C(=O)C(=O)O; O=C(O)C(=O)C(C)(C)
    CO; CC(C)(CO)C(=O)C(O)=O    		 KETOPANTOATE;
    2-DEHYDROPANTOATE
    26348 KPM 1 C19 H30 N2 O13 InChI=1S/C19H30N2O13/c1-6
    (23)20-10-12(25)14(8(4-22
    )31-16(10)27)33-17-11(21-
    7(2)24)13(26)15-9(32-17)5
    -30-19(3,34-15)18(28)29/h
    8-17,22,25-27H,4-5H2,1-3H
    3,(H,20,23)(H,21,24)(H,28
    ,29)/t8-,9-,10-,11+,12-,1
    3-,14-,15-,16-,17+,19+/m1
    /s1;
    ZDEWQEOMIIQXJL-JRZDJGMASA-N    		 CC(=O)NC1C(C(C(OC1O)CO)OC2C(C(C3C(O2)COC
    (O3)(C)C(=O)O)O)NC(=O)C)O; CC(=O)N[C@@H]
    1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O[C@H]2[
    C@H]([C@H]([C@H]3[C@H](O2)CO[C@](O3)(C)C
    (=O)O)O)NC(=O)C)O; CC(=O)N[C@H]1[C@H](O)
    O[C@H](CO)[C@@H](O[C@@H]2O[C@@H]3CO[C@@]
    (C)(O[C@H]3[C@H](O)[C@@H]2NC(C)=O)C(O)=O
    )[C@@H]1O; CC(=O)NC1C(C(C(OC1O)CO)OC3OC2
    COC(C(O)=O)(C)OC2C(O)C3NC(C)=O)O; CC(=O)
    N[CH]1[CH](O)O[CH](CO)[CH](O[CH]2O[CH]3C
    O[C](C)(O[CH]3[CH](O)[CH]2NC(C)=O)C(O)=O
    )[CH]1O    		 2-(acetylamino)-4-O-{2-(acetylamino)-4,6-O-[(1S)-1-carboxyethylidene]-2-deoxy-beta-D-mannopyranosyl}-2-deoxy-beta-D-glucopyranose
    26349 KPN
    ZINC000064746691    		 0 C16 H18 N4 O3 InChI=1S/C16H18N4O3/c17-6
    -8-20(11-16(22)23)15(21)9
    -12-4-5-14(19-10-12)13-3-
    1-2-7-18-13/h1-5,7,10H,6,
    8-9,11,17H2,(H,22,23);
    AYWFQSXGKGSEHN-UHFFFAOYSA-N    		 O=C(O)CN(C(=O)Cc2cnc(c1ncccc1)cc2)CCN; c
    1ccnc(c1)c2ccc(cn2)CC(=O)N(CCN)CC(=O)O;
    NCCN(CC(O)=O)C(=O)Cc1ccc(nc1)c2ccccn2    		 N-(2-aminoethyl)-N-(2,2'-bipyridin-5-ylacetyl)glycine
    26350 KPO 1 C37 H49 N9 O5 InChI=1S/C37H49N9O5/c38-1
    6-5-3-12-29-34(49)41-17-6
    -4-13-30(46-37(39)40)35(5
    0)43-23-33(48)42-22-26-9-
    7-8-24(18-26)21-32(47)44-
    31(36(51)45-29)20-25-14-1
    5-27-10-1-2-11-28(27)19-2
    5/h1-2,7-11,14-15,18-19,2
    9-31H,3-6,12-13,16-17,20-
    23,38H2,(H,41,49)(H,42,48
    )(H,43,50)(H,44,47)(H,45,
    51)(H4,39,40,46)/t29-,30+
    ,31-/m0/s1;
    NLCKEQZZDLBRBR-YPKYBTACSA-N    		 c1ccc2cc(ccc2c1)CC3C(=O)NC(C(=O)NCCCCC(C
    (=O)NCC(=O)NCc4cccc(c4)CC(=O)N3)NC(=N)N)
    CCCCN; NCCCC[CH]1NC(=O)[CH](Cc2ccc3ccccc
    3c2)NC(=O)Cc4cccc(CNC(=O)CNC(=O)[CH](CCC
    CNC1=O)NC(N)=N)c4; NCCCC[C@@H]1NC(=O)[C@
    H](Cc2ccc3ccccc3c2)NC(=O)Cc4cccc(CNC(=O)
    CNC(=O)[C@@H](CCCCNC1=O)NC(N)=N)c4; [H]/
    N=C(/N)\N[C@@H]1CCCCNC(=O)[C@@H](NC(=O)[
    C@@H](NC(=O)Cc2cccc(c2)CNC(=O)CNC1=O)Cc3
    ccc4ccccc4c3)CCCCN    		 1-[(8~{R},15~{S},18~{S})-15-(4-azanylbutyl)-18-(naphthalen-2-ylmethyl)-4,7,14,17,20-pentakis(oxidanylidene)-3,6,13,16,19-pentazabicyclo[20.3.1]hexacosa-1(25),22(26),23-trien-8-yl]guanidine
    26351 KPQ
    CHEMBL1076850
    ZINC000049672458    		 1 C4 H2 F9 N O2 S InChI=1S/C4H2F9NO2S/c5-1(
    6,3(9,10)11)2(7,8)4(12,13
    )17(14,15)16/h(H2,14,15,1
    6);
    FUVKFLJWBHVMHX-UHFFFAOYSA-N    		 N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)
    F; C(C(C(F)(F)S(=O)(=O)N)(F)F)(C(F)(F)F)
    (F)F    		 1,1,2,2,3,3,4,4,4-nonakis(fluoranyl)butane-1-sulfonamide
    26352 KPR
    ZINC000584905595    		 8 C5 H10 N O5 P InChI=1S/C5H10NO5P/c1-4(6
    )5(7)2-3-11-12(8,9)10/h2-
    4H,6H2,1H3,(H2,8,9,10)/b3
    -2+/t4-/m0/s1;
    RTVKPJRIOVZREZ-ZPYNKGFJSA-N    		 C[C@H](N)C(=O)\C=C\O[P](O)(O)=O; C[C@@H]
    (C(=O)/C=C/OP(=O)(O)O)N; C[CH](N)C(=O)C=
    CO[P](O)(O)=O; CC(C(=O)C=COP(=O)(O)O)N    		 [(~{E},4~{S})-4-azanyl-3-oxidanylidene-pent-1-enyl] dihydrogen phosphate
    26353 KPS
    ZINC000098209085    		 3 C9 H15 N2 O9 P InChI=1S/C9H15N2O9P/c12-5
    (1-4-2-10-9(16)11-8(4)15)
    7(14)6(13)3-20-21(17,18)1
    9/h2,5-7,12-14H,1,3H2,(H2
    ,17,18,19)(H2,10,11,15,16
    )/t5-,6+,7-/m0/s1;
    GIMVKTFECLUQAU-XVMARJQXSA-N    		 C1=C(C(=O)NC(=O)N1)CC(C(C(COP(=O)(O)O)O)
    O)O; O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)C
    C1=CNC(=O)NC1=O; O=C1C(=CNC(=O)N1)CC(O)C
    (O)C(O)COP(=O)(O)O; C1=C(C(=O)NC(=O)N1)C
    [C@@H]([C@@H]([C@@H](COP(=O)(O)O)O)O)O;
    O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@@H](O)C
    C1=CNC(=O)NC1=O    		 pseudouridine 5'-phosphate, linear;
    1-deoxy-1-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-5-O-phosphono-D-ribitol
    26354 KPT
    CHEMBL362071
    ZINC000001709414    		 0 C19 H14 N O4 InChI=1S/C19H14NO4/c1-2-1
    6-19(24-10-21-16)14-8-20-
    4-3-12-6-17-18(23-9-22-17
    )7-13(12)15(20)5-11(1)14/
    h1-2,5-8H,3-4,9-10H2/q+1;
    XYHOBCMEDLZUMP-UHFFFAOYSA-N    		 c1cc2c(c3c1cc-4[n+](c3)CCc5c4cc6c(c5)OCO
    6)OCO2; O1c3c(OC1)c2c[n+]6c(cc2cc3)c5cc4
    OCOc4cc5CC6; C1Oc2cc3CC[n+]4cc5c6OCOc6cc
    c5cc4c3cc2O1    		 6,7-dihydro[1,3]dioxolo[4,5-g][1,3]dioxolo[7,8]isoquino[3,2-a]isoquinolin-5-ium;
    Coptisine
    26355 KPU 1 C12 H19 N2 O8 P InChI=1S/C12H19N2O8P/c1-7
    -11(16)9(5-14-10(2-3-15)1
    2(17)18)8(4-13-7)6-22-23(
    19,20)21/h4,10,14-16H,2-3
    ,5-6H2,1H3,(H,17,18)(H2,1
    9,20,21)/t10-/m0/s1;
    GLDZRPISEAFFFS-JTQLQIEISA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCO)C(=O)O)
    O; Cc1ncc(CO[P](O)(O)=O)c(CN[C@@H](CCO)C
    (O)=O)c1O; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C
    @@H](CCO)C(=O)O)O; Cc1ncc(CO[P](O)(O)=O)
    c(CN[CH](CCO)C(O)=O)c1O    		 (2~{S})-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-oxidanyl-butanoic acid
    26356 KPV
    DB08050    		 6 C11 H12 O3 InChI=1S/C11H12O3/c12-10(
    11(13)14)8-4-7-9-5-2-1-3-
    6-9/h1-3,5-6H,4,7-8H2,(H,
    13,14);
    MJXXAPORLGKVLB-UHFFFAOYSA-N    		 OC(=O)C(=O)CCCc1ccccc1; c1ccc(cc1)CCCC(=
    O)C(=O)O; O=C(O)C(=O)CCCc1ccccc1    		 5-PHENYL-2-KETO-VALERIC ACID;
    2-OXO-5-PHENYLPENTANOIC ACID
    26357 KPW
    CHEMBL4292491    		 1 C25 H26 N6 O2 S InChI=1S/C25H26N6O2S/c1-1
    6-5-4-6-20(28-16)24-23(21
    -14-25(2,3)15-31(21)30-24
    )17-11-12-27-22(13-17)29-
    18-7-9-19(10-8-18)34(26,3
    2)33/h4-13H,14-15H2,1-3H3
    ,(H,27,29)(H2,26,32,33);
    MOQLTEFWRJQFEZ-UHFFFAOYSA-N    		 Cc1cccc(n1)c2c(c3n(n2)CC(C3)(C)C)c4ccnc(
    c4)Nc5ccc(cc5)S(=O)(=O)N; Cc1cccc(n1)c2n
    n3CC(C)(C)Cc3c2c4ccnc(Nc5ccc(cc5)[S](N)(
    =O)=O)c4    		 4-[[4-[5,5-dimethyl-2-(6-methylpyridin-2-yl)-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]pyridin-2-yl]amino]benzenesulfonamide;
    I39LT379
    26358 KPX 16 C33 H38 N4 O6 InChI=1S/C33H38N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h8-9,11,14-15,19-20,26
    ,34H,2,7,10,12-13H2,1,3-6
    H3,(H,36,43)(H,37,42)(H,3
    8,39)(H,40,41)/b11-9+,27-
    14-,29-15-/t19-,20-,26-/m
    1/s1;
    DELSVXYVYXKOJW-GUEBWASOSA-N    		 CC[C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3
    c(c(c([nH]3)C[C@@H]4C(=C(C(=O)N4)C=C)C)C
    )/C=C/C(=O)O)/C(=C2C)CCC(=O)O)C; CCC1C(C
    (=O)NC1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C
    (=O)N4)C=C)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O
    )C; CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[n
    H]c(C[CH]4NC(=O)C(=C4C)C=C)c(C)c3C=CC(O)
    =O)C(=C2C)CCC(O)=O; O=C(O)CCC1=C(C)C(/C=
    C2\NC(=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(
    =O)C(C=C)=C2C)c(C)c1/C=C/C(=O)O; CC[C@@H
    ]/1[C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]
    c(C[C@H]4NC(=O)C(=C4C)C=C)c(C)c3/C=C/C(O
    )=O)C(=C2C)CCC(O)=O    		 Bilin 584 (single linked);
    (2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
    26359 KPY
    ZINC000098209086    		 0 C8 H14 N2 O4 S InChI=1S/C8H14N2O4S/c1-5(
    7(11)12)10-2-3-15-4-6(9)8
    (13)14/h6H,2-4,9H2,1H3,(H
    ,11,12)(H,13,14)/b10-5+/t
    6-/m0/s1;
    GXEFLMSEGCZSFI-UEEORIODSA-N    		 C/C(=N\CCSC[C@@H](C(=O)O)N)/C(=O)O; CC(=
    NCCSC[CH](N)C(O)=O)C(O)=O; CC(=NCCSCC(C(
    =O)O)N)C(=O)O; CC(=NCCSC[C@H](N)C(O)=O)C
    (O)=O; O=C(O)C(N)CSCC/N=C(/C(=O)O)C    		 (2R)-2-AZANYL-3-[2-[(E)-(1-OXIDANYL-1-OXIDANYLIDENE-PROPAN-2-YLIDENE)AMINO]ETHYLSULFANYL]PROPANOIC ACID;
    PYRUVOYL-L-THIALYSINE
    26360 KQ0
    ZINC000012117037    		 2 C18 H19 N3 O S InChI=1S/C18H19N3OS/c1-22
    -15-6-4-14(5-7-15)18(8-9-
    18)19-11-13-12-20-21-17(1
    3)16-3-2-10-23-16/h2-7,10
    ,12,19H,8-9,11H2,1H3,(H,2
    0,21);
    CXRMCTBDMZVPNE-UHFFFAOYSA-N    		 COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4cccs4;
    COc1ccc(cc1)C2(CC2)NCc3c[nH]nc3c4sccc4    		 1-(4-methoxyphenyl)-~{N}-[(3-thiophen-2-yl-1~{H}-pyrazol-4-yl)methyl]cyclopropan-1-amine
    26361 KQ3 1 C18 H21 Cl N4 O2 InChI=1S/C18H21ClN4O2/c19
    -15-3-1-5-17(13-15)23(8-7
    -22-9-11-25-12-10-22)18(2
    4)21-16-4-2-6-20-14-16/h1
    -6,13-14H,7-12H2,(H,21,24
    );
    MLWZGJVGRRIOOY-UHFFFAOYSA-N    		 Clc1cccc(c1)N(CCN2CCOCC2)C(=O)Nc3cccnc3;
    Clc1cccc(c1)N(CCN1CCOCC1)C(=O)Nc1cccnc1
    ; c1cc(cc(c1)Cl)N(CCN2CCOCC2)C(=O)Nc3ccc
    nc3    		 N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea
    26362 KQ6 15 C33 H40 N4 O6 InChI=1S/C33H40N4O6/c1-7-
    20-19(6)32(42)37-27(20)14
    -25-18(5)23(10-12-31(40)4
    1)29(35-25)15-28-22(9-11-
    30(38)39)17(4)24(34-28)13
    -26-16(3)21(8-2)33(43)36-
    26/h9,11,14-15,19-20,26,3
    4H,7-8,10,12-13H2,1-6H3,(
    H,36,43)(H,37,42)(H,38,39
    )(H,40,41)/b11-9+,27-14-,
    29-15-/t19-,20-,26-/m1/s1;
    KXOMFZIVZHIPRO-GUEBWASOSA-N    		 CC[CH]1[CH](C)C(=O)NC1=CC2=NC(=Cc3[nH]c(
    C[CH]4NC(=O)C(=C4C)CC)c(C)c3C=CC(O)=O)C(
    =C2C)CCC(O)=O; O=C(O)CCC1=C(C)C(/C=C2\NC
    (=O)C(C)C2CC)=N/C1=C\c1[NH]c(CC2NC(=O)C(
    CC)=C2C)c(C)c1/C=C/C(=O)O; CCC1C(C(=O)NC
    1=CC2=NC(=Cc3c(c(c([nH]3)CC4C(=C(C(=O)N4
    )CC)C)C)C=CC(=O)O)C(=C2C)CCC(=O)O)C; CC[
    C@@H]\1[C@H](C(=O)N/C1=C\C2=N/C(=C\c3c(c
    (c([nH]3)C[C@@H]4C(=C(C(=O)N4)CC)C)C)/C=
    C/C(=O)O)/C(=C2C)CCC(=O)O)C; CC[C@@H]/1[
    C@@H](C)C(=O)NC/1=C/C2=N\C(=C/c3[nH]c(C[
    C@H]4NC(=O)C(=C4C)CC)c(C)c3/C=C/C(O)=O)C
    (=C2C)CCC(O)=O    		 Bilin 584 (doubly linked);
    (2E)-3-(2-{(Z)-[3-(2-carboxyethyl)-5-{(Z)-[(3R,4R)-3-ethyl-4-methyl-5-oxopyrrolidin-2-ylidene]methyl}-4-methyl-2H-pyrrol-2-ylidene]methyl}-5-{[(2R)-4-ethyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]methyl}-4-methyl-1H-pyrrol-3-yl)prop-2-enoic acid
    26363 KQ7
    ZINC000014127956    		 1 C30 H37 N7 O3 InChI=1S/C30H37N7O3/c1-21
    -5-7-24(34-29(38)22-9-11-
    32-28(18-22)37-14-16-40-1
    7-15-37)19-26(21)35-30(39
    )23-6-8-27(33-20-23)31-12
    -10-25-4-3-13-36(25)2/h5-
    9,11,18-20,25H,3-4,10,12-
    17H2,1-2H3,(H,31,33)(H,34
    ,38)(H,35,39)/t25-/m0/s1;
    DVPVWRYIDHDOOO-VWLOTQADSA-N    		 Cc1ccc(cc1NC(=O)c2ccc(nc2)NCCC3CCCN3C)NC
    (=O)c4ccnc(c4)N5CCOCC5; Cc1ccc(cc1NC(=O)
    c2ccc(nc2)NCC[C@@H]3CCC[N@]3C)NC(=O)c4cc
    nc(c4)N5CCOCC5; CN1CCC[CH]1CCNc2ccc(cn2)
    C(=O)Nc3cc(NC(=O)c4ccnc(c4)N5CCOCC5)ccc3
    C; CN1CCC[C@H]1CCNc2ccc(cn2)C(=O)Nc3cc(N
    C(=O)c4ccnc(c4)N5CCOCC5)ccc3C    		 N-(2-methyl-5-{[(2-morpholin-4-ylpyridin-4-yl)carbonyl]amino}phenyl)-6-({2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}amino)py ridine-3-carboxamide;
    N-[4-methyl-3-(6-{[2-(1-methylpyrrolidin-2-yl)ethyl]amino}pyridine-3-amido)phenyl]-2-(morpholin-4-yl)pyridine-4-carboxa mide
    26364 KQ8 2 C15 H26 N4 O7 S2 InChI=1S/C15H26N4O7S2/c1-
    6-11(10(7(2)20)14(21)22)1
    9-12(15(23)24)13(6)27-9-3
    -8(17-5-9)4-18-28(16,25)2
    6/h6-11,17-20H,3-5H2,1-2H
    3,(H,21,22)(H,23,24)(H2,1
    6,25,26)/t6-,7-,8+,9+,10-
    ,11+/m1/s1;
    DGCDKVKIMXIBKA-ZBJKAAEASA-N    		 C[C@@H](O)[C@H]([C@H]1NC(=C(S[C@@H]2CN[C
    @H](CN[S](N)(=O)=O)C2)[C@@H]1C)C(O)=O)C(
    O)=O; C[CH](O)[CH]([CH]1NC(=C(S[CH]2CN[C
    H](CN[S](N)(=O)=O)C2)[CH]1C)C(O)=O)C(O)=
    O; CC1C(NC(=C1SC2CC(NC2)CNS(=O)(=O)N)C(=
    O)O)C(C(C)O)C(=O)O; C[C@@H]1[C@H](NC(=C1
    S[C@H]2C[C@H](NC2)CNS(=O)(=O)N)C(=O)O)[C
    @@H]([C@@H](C)O)C(=O)O    		 (2~{R},3~{R})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-3-methyl-4-[(3~{S},5~{S})-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-2,3-dihydro-1~{H}-pyrrole-5-carboxylic acid
    26365 KQ9
    ZINC000088051686    		 0 C7 H16 N2 InChI=1S/C7H16N2/c1-9(2)6
    -7(8)4-3-5-7/h3-6,8H2,1-2
    H3;
    OMTAOOUFJIYVKU-UHFFFAOYSA-N    		 CN(C)CC1(CCC1)N; CN(C)CC1(N)CCC1 1-[(dimethylamino)methyl]cyclobutan-1-amine
    26366 KQB 4 F3 Mg O InChI=1S/3FH.Mg.H2O/h3*1H
    ;;1H2/q;;;+4;/p-4;
    QUJZUQVZXBKESK-UHFFFAOYSA-J    		 O.F[Mg](F)F; [O][Mg](F)(F)F trifluoromagnesate monohydrate
    26367 KQC
    ZINC000003956764    		 1 C6 H11 F O5 InChI=1S/C6H11FO5/c7-3-2(
    1-8)12-6(11)5(10)4(3)9/h2
    -6,8-11H,1H2/t2-,3-,4+,5-
    ,6-/m1/s1;
    FIHYONSINSKFAH-VFUOTHLCSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)
    O)O)F)O; OC[CH]1O[CH](O)[CH](O)[CH](O)[C
    H]1F; C(C1C(C(C(C(O1)O)O)O)F)O; OC[C@H]1
    O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1F    		 (2R,3R,4R,5S,6R)-5-fluoranyl-6-(hydroxymethyl)oxane-2,3,4-triol
    26368 KQD
    CHEMBL4472879    		 8 C56 H56 N6 O6 InChI=1S/C56H56N6O6/c63-5
    1(57-47-25-39(47)33-13-5-
    1-6-14-33)43-29-61(30-44(
    43)52(64)58-48-26-40(48)3
    4-15-7-2-8-16-34)55(67)37
    -21-23-38(24-22-37)56(68)
    62-31-45(53(65)59-49-27-4
    1(49)35-17-9-3-10-18-35)4
    6(32-62)54(66)60-50-28-42
    (50)36-19-11-4-12-20-36/h
    1-24,39-50H,25-32H2,(H,57
    ,63)(H,58,64)(H,59,65)(H,
    60,66)/t39-,40-,41-,42-,4
    3-,44-,45-,46-,47+,48+,49
    +,50+/m1/s1;
    ABZBNXFGYUSVCJ-UYMKNZQYSA-N    		 c1ccc(cc1)C2CC2NC(=O)C3CN(CC3C(=O)NC4CC4
    c5ccccc5)C(=O)c6ccc(cc6)C(=O)N7CC(C(C7)C
    (=O)NC8CC8c9ccccc9)C(=O)NC1CC1c1ccccc1;
    c1ccc(cc1)[C@H]2C[C@@H]2NC(=O)[C@@H]3CN(
    C[C@H]3C(=O)N[C@H]4C[C@@H]4c5ccccc5)C(=O
    )c6ccc(cc6)C(=O)N7C[C@H]([C@@H](C7)C(=O)
    N[C@H]8C[C@@H]8c9ccccc9)C(=O)N[C@H]1C[C@
    @H]1c1ccccc1; O=C(N[C@H]1C[C@@H]1c2ccccc
    2)[C@@H]3CN(C[C@H]3C(=O)N[C@H]4C[C@@H]4c
    5ccccc5)C(=O)c6ccc(cc6)C(=O)N7C[C@H]([C@
    @H](C7)C(=O)N[C@H]8C[C@@H]8c9ccccc9)C(=O
    )N[C@H]%10C[C@@H]%10c%11ccccc%11; C(=O)(
    c1ccc(cc1)C(N6CC(C(=O)NC2CC2c3ccccc3)C(C
    (=O)NC4CC4c5ccccc5)C6)=O)N9CC(C(=O)NC7CC
    7c8ccccc8)C(C9)C(=O)NC%10CC%10c%11ccccc%
    11; O=C(N[CH]1C[CH]1c2ccccc2)[CH]3CN(C[C
    H]3C(=O)N[CH]4C[CH]4c5ccccc5)C(=O)c6ccc(
    cc6)C(=O)N7C[CH]([CH](C7)C(=O)N[CH]8C[CH
    ]8c9ccccc9)C(=O)N[CH]%10C[CH]%10c%11cccc
    c%11    		 (3S,4S,3'S,4'S)-1,1'-(1,4-phenylenedicarbonyl)bis{N~3~,N~4~-bis[(1S,2R)-2-phenylcyclopropyl]pyrrolidine-3,4-dicarboxami de};
    Diprovocim
    26369 KQE 2 C18 H11 F3 N4 O InChI=1S/C18H11F3N4O/c19-
    18(20,21)26-14-3-1-2-13(1
    0-14)16-11-23-17-5-4-15(2
    4-25(16)17)12-6-8-22-9-7-
    12/h1-11H;
    SFBZOJORTROAIE-UHFFFAOYSA-N    		 FC(F)(F)Oc1cccc(c1)c2cnc3ccc(nn23)c4ccnc
    c4; c1cc(cc(c1)OC(F)(F)F)c2cnc3n2nc(cc3)
    c4ccncc4    		 6-pyridin-4-yl-3-[3-(trifluoromethyloxy)phenyl]imidazo[1,2-b]pyridazine
    26370 KQF
    ZINC000002525624    		 1 C11 H8 O3 InChI=1S/C11H8O3/c12-11(1
    3)9-5-3-8(4-6-9)10-2-1-7-
    14-10/h1-7H,(H,12,13);
    FOJYVBSPOBUCMV-UHFFFAOYSA-N    		 c1cc(oc1)c2ccc(cc2)C(=O)O; O=C(O)c1ccc(c
    c1)c1ccco1; OC(=O)c1ccc(cc1)c2occc2    		 4-(furan-2-yl)benzoic acid
    26371 KQI 1 C19 H27 N5 O4 InChI=1S/C19H27N5O4/c1-14
    (26)17(13-25)23-19(28)16(
    12-15-8-4-2-5-9-15)22-18(
    27)10-6-3-7-11-21-24-20/h
    2,4-5,8-9,13-14,16-17,26H
    ,3,6-7,10-12H2,1H3,(H,22,
    27)(H,23,28)/t14-,16+,17-
    /m1/s1;
    JYMVTDPABCQINZ-HYVNUMGLSA-N    		 C[C@H]([C@@H](C=O)NC(=O)[C@H](Cc1ccccc1)
    NC(=O)CCCCCN=[N+]=[N-])O; C[CH](O)[CH](N
    C(=O)[CH](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N
    -])C=O; CC(C(C=O)NC(=O)C(Cc1ccccc1)NC(=O
    )CCCCCN=[N+]=[N-])O; C[C@@H](O)[C@H](NC(
    =O)[C@H](Cc1ccccc1)NC(=O)CCCCCN=[N+]=[N-
    ])C=O    		 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide;
    Beta-lactone antibacterial agent (open form)
    26372 KQK
    CHEMBL4848254    		 1 C12 H12 N6 InChI=1S/C12H12N6/c1-17(2
    )12-13-7-5-10(16-12)9-8-1
    5-18-11(9)4-3-6-14-18/h3-
    8H,1-2H3;
    IFLBFWBMAWIBBZ-UHFFFAOYSA-N    		 CN(C)c1nccc(n1)c2cnn3c2cccn3; CN(C)c1ncc
    c(n1)c2cnn3ncccc23    		 ~{N},~{N}-dimethyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    26373 KQL 1 C15 H13 F3 N2 O InChI=1S/C15H13F3N2O/c1-1
    0-5-6-19-9-13(10)20-14(21
    )8-11-3-2-4-12(7-11)15(16
    ,17)18/h2-7,9H,8H2,1H3,(H
    ,20,21);
    XYFCSWHALYQBPC-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)C(F)(F)F; O=C(
    Nc1cnccc1C)Cc1cccc(c1)C(F)(F)F    		 N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide
    26374 KQN 1 C13 H23 N5 O4 InChI=1S/C13H23N5O4/c1-9(
    13(22)17-11(8-19)10(2)20)
    16-12(21)6-4-3-5-7-15-18-
    14/h8-11,20H,3-7H2,1-2H3,
    (H,16,21)(H,17,22)/t9-,10
    +,11+/m0/s1;
    QSZPURBQGQCCCA-HBNTYKKESA-N    		 C[CH](O)[CH](NC(=O)[CH](C)NC(=O)CCCCCN=[
    N+]=[N-])C=O; CC(C(C=O)NC(=O)C(C)NC(=O)C
    CCCCN=[N+]=[N-])O; C[C@@H](O)[C@H](NC(=O
    )[C@H](C)NC(=O)CCCCCN=[N+]=[N-])C=O; C[C
    @H]([C@@H](C=O)NC(=O)[C@H](C)NC(=O)CCCCC
    N=[N+]=[N-])O    		 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]propan-2-yl]hexanamide;
    Beta-lactone antibacterial agent (open form)
    26375 KQO 2 C25 H28 F N5 O3 InChI=1S/C25H28FN5O3/c1-3
    4-18-7-5-16(6-8-18)25(11-
    3-2-4-12-25)24(33)31-15-1
    7(26)13-21(31)23(32)29-22
    -10-9-19-20(28-22)14-27-3
    0-19/h5-10,14,17,21H,2-4,
    11-13,15H2,1H3,(H,27,30)(
    H,28,29,32)/t17-,21-/m1/s
    1;
    CCRMEUSDGNVQDG-DYESRHJHSA-N    		 COc1ccc(cc1)C2(CCCCC2)C(=O)N3CC(CC3C(=O)
    Nc4ccc5c(n4)cn[nH]5)F; COc1ccc(cc1)C2(CC
    CCC2)C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc4ccc
    5[nH]ncc5n4; COc1ccc(cc1)C2(CCCCC2)C(=O)
    N3C[C@@H](C[C@@H]3C(=O)Nc4ccc5c(n4)cn[nH
    ]5)F; COc1ccc(cc1)C2(CCCCC2)C(=O)N3C[CH]
    (F)C[CH]3C(=O)Nc4ccc5[nH]ncc5n4    		 (2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
    26376 KQP
    CHEMBL4459279    		 1 C20 H23 Cl N2 O InChI=1S/C20H23ClN2O/c1-1
    9(2,24)15-6-4-13(5-7-15)1
    4-10-16(12-17(21)11-14)20
    (18(22)23)8-3-9-20/h4-7,1
    0-12,24H,3,8-9H2,1-2H3,(H
    3,22,23);
    VORBWTOFIFETCY-UHFFFAOYSA-N    		 [H]/N=C(/C1(CCC1)c2cc(cc(c2)Cl)c3ccc(cc3
    )C(C)(C)O)\N; c3c(C(C)(C)O)ccc(c1cc(cc(c
    1)Cl)C2(CCC2)\C(=N)N)c3; CC(C)(O)c1ccc(c
    c1)c2cc(Cl)cc(c2)C3(CCC3)C(N)=N; CC(C)(c
    1ccc(cc1)c2cc(cc(c2)Cl)C3(CCC3)C(=N)N)O    		 1-[5-chloro-4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]cyclobutane-1-carboximidamide
    26377 KQQ
    CHEMBL463931
    ZINC000044386931    		 1 C27 H32 N8 O3 S InChI=1S/C27H32N8O3S/c1-2
    7(2)8-10-35(21(36)14-34(3
    )4)19-13-18(20(38-5)12-16
    (19)27)31-26-32-24-15(6-9
    -29-24)25(33-26)30-17-7-1
    1-39-22(17)23(28)37/h6-7,
    9,11-13H,8,10,14H2,1-5H3,
    (H2,28,37)(H3,29,30,31,32
    ,33);
    YNSCKPCDFIDINW-UHFFFAOYSA-N    		 COc1cc2c(cc1Nc3nc4[nH]ccc4c(Nc5ccsc5C(N)
    =O)n3)N(CCC2(C)C)C(=O)CN(C)C; CC1(CCN(c2
    c1cc(c(c2)Nc3nc4c(cc[nH]4)c(n3)Nc5ccsc5C
    (=O)N)OC)C(=O)CN(C)C)C; O=C(N2c1cc(c(OC)
    cc1C(C)(C)CC2)Nc4nc(Nc3c(scc3)C(=O)N)c5c
    cnc5n4)CN(C)C    		 3-[(2-{[1-(N,N-dimethylglycyl)-6-methoxy-4,4-dimethyl-1,2,3,4-tetrahydroquinolin-7-yl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]thiophene-2-carboxamide
    26378 KQR
    CHEMBL1922555
    ZINC000000158700    		 1 C11 H8 O2 S InChI=1S/C11H8O2S/c12-11(
    13)9-5-3-8(4-6-9)10-2-1-7
    -14-10/h1-7H,(H,12,13);
    CVDUBQJEQNRCIZ-UHFFFAOYSA-N    		 O=C(O)c1ccc(cc1)c1cccs1; OC(=O)c1ccc(cc1
    )c2sccc2; c1cc(sc1)c2ccc(cc2)C(=O)O    		 4-(thiophen-2-yl)benzoic acid
    26379 KQS 4 C18 H18 F N3 O2 InChI=1S/C18H18FN3O2/c1-1
    1(13-4-2-3-5-14(13)19)8-1
    7(23)20-10-12-6-7-15-16(9
    -12)22-18(24)21-15/h2-7,9
    ,11H,8,10H2,1H3,(H,20,23)
    (H2,21,22,24)/t11-/m0/s1;
    JYQMTEASQYBLAO-NSHDSACASA-N    		 CC(CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3ccccc3F
    ; C[C@@H](CC(=O)NCc1ccc2c(c1)NC(=O)N2)c3
    ccccc3F; C[C@@H](CC(=O)NCc1ccc2NC(=O)Nc2
    c1)c3ccccc3F; C[CH](CC(=O)NCc1ccc2NC(=O)
    Nc2c1)c3ccccc3F    		 (3S)-3-(2-fluorophenyl)-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)butanamide)
    26380 KQT
    CHEMBL4637310    		 0 C28 H27 N2 O4 InChI=1S/C28H27N2O4/c1-31
    -24-7-6-20-21(5-3-4-18-8-
    11-29-12-9-18)27-22-15-26
    -25(33-17-34-26)14-19(22)
    10-13-30(27)16-23(20)28(2
    4)32-2/h6-9,11-12,14-16H,
    3-5,10,13,17H2,1-2H3/q+1;
    QVKHJFYKHMGTFF-UHFFFAOYSA-N    		 COc1ccc2c(c1OC)c[n+]3c(c2CCCc4ccncc4)-c5
    cc6c(cc5CC3)OCO6; COc1ccc2c(CCCc3ccncc3)
    c4c5cc6OCOc6cc5CC[n+]4cc2c1OC    		 Berberine
    26381 KQU 1 C13 H21 N O3 S Se2 InChI=1S/C13H21NO3SSe2/c1
    -2-3-8-19-9-11(15)10-20-1
    3-6-4-12(5-7-13)18(14,16)
    17/h4-7,11,15H,2-3,8-10H2
    ,1H3,(H2,14,16,17)/t11-/m
    1/s1;
    OQEKMFRBPRHRCV-LLVKDONJSA-N    		 CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O;
    CCCC[Se]C[C@H](C[Se]c1ccc(cc1)S(=O)(=O)N
    )O; CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](N
    )(=O)=O; CCCC[Se]C[C@@H](O)C[Se]c1ccc(cc
    1)[S](N)(=O)=O    		 4-[(2R)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide;
    4-((3-(butylselanyl)-2-hydroxypropyl)selanyl)benzenesulfonamide
    26382 KQV
    CHEMBL4575382    		 2 C40 H44 F2 N7 O9 P InChI=1S/C40H44F2N7O9P/c1
    -23(50)48-19-18-28-13-16-
    33(38(54)45-30(15-17-34(4
    3)51)36(52)47-35(24-8-4-2
    -5-9-24)25-10-6-3-7-11-25
    )49(28)39(55)32(22-48)46-
    37(53)31-21-26-20-27(12-1
    4-29(26)44-31)40(41,42)59
    (56,57)58/h2-12,14,20-21,
    28,30,32-33,35,44H,13,15-
    19,22H2,1H3,(H2,43,51)(H,
    45,54)(H,46,53)(H,47,52)(
    H2,56,57,58)/t28-,30+,32+
    ,33+/m1/s1;
    HBICZHLVBCLHSV-VUCLUUCHSA-N    		 CC(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)
    NC(=O)c3[nH]c4ccc(cc4c3)C(F)(F)[P](O)(O)
    =O)C(=O)N[C@@H](CCC(N)=O)C(=O)NC(c5ccccc
    5)c6ccccc6; c1(C(F)(P(=O)(O)O)F)cc2c(cc1
    )nc(c2)C(NC4C(=O)N3C(CCC3CCN(C4)C(=O)C)C
    (NC(C(=O)NC(c5ccccc5)c6ccccc6)CCC(=O)N)=
    O)=O; CC(=O)N1CCC2CCC(N2C(=O)C(C1)NC(=O)
    c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)C(=O)
    NC(CCC(=O)N)C(=O)NC(c5ccccc5)c6ccccc6; C
    C(=O)N1CC[C@H]2CC[C@H](N2C(=O)[C@H](C1)N
    C(=O)c3cc4cc(ccc4[nH]3)C(F)(F)P(=O)(O)O)
    C(=O)N[C@@H](CCC(=O)N)C(=O)NC(c5ccccc5)c
    6ccccc6; CC(=O)N1CC[CH]2CC[CH](N2C(=O)[C
    H](C1)NC(=O)c3[nH]c4ccc(cc4c3)C(F)(F)[P]
    (O)(O)=O)C(=O)N[CH](CCC(N)=O)C(=O)NC(c5c
    cccc5)c6ccccc6    		 [(2-{[(5S,8S,10aR)-3-acetyl-8-({(2S)-5-amino-1-[(diphenylmethyl)amino]-1,5-dioxopentan-2-yl}carbamoyl)-6-oxodecahydropyrrolo[1,2-a][1,5]diazocin-5-yl]carbamoyl}-1H-indol-5-yl)(difluoro)methyl]phosphonic acid (non-preferred name)
    26383 KQW
    CHEMBL4848696    		 1 C14 H14 N6 InChI=1S/C14H14N6/c1-19(1
    0-4-5-10)14-15-8-6-12(18-
    14)11-9-17-20-13(11)3-2-7
    -16-20/h2-3,6-10H,4-5H2,1
    H3;
    OAIXSJCARVACKE-UHFFFAOYSA-N    		 CN(C1CC1)c2nccc(n2)c3cnn4ncccc34; CN(c1n
    ccc(n1)c2cnn3c2cccn3)C4CC4    		 ~{N}-cyclopropyl-~{N}-methyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    26384 KQX 1 C15 H16 N2 O InChI=1S/C15H16N2O/c1-11-
    3-5-13(6-4-11)9-15(18)17-
    14-10-16-8-7-12(14)2/h3-8
    ,10H,9H2,1-2H3,(H,17,18);
    ADHDKMXDJWXBNY-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)Cc1ccc(C)cc1; Cc1ccc(cc1)
    CC(=O)Nc2cnccc2C; Cc1ccc(CC(=O)Nc2cnccc2
    C)cc1    		 2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide
    26385 KQY
    ZINC000001706703    		 3 C6 H14 N2 O InChI=1S/C6H14N2O/c7-5-3-
    1-2-4-6(8)9/h1-5,7H2,(H2,
    8,9);
    ZLHYDRXTDZFRDZ-UHFFFAOYSA-N    		 C(CCC(=O)N)CCN; O=C(CCCCCN)N; NCCCCCC(N)
    =O    		 6-aminohexanamide
    26386 KQZ
    CHEMBL4852953    		 1 C13 H13 N5 InChI=1S/C13H13N5/c1-18(2
    )13-15-7-5-11(17-13)10-8-
    16-12-9(10)4-3-6-14-12/h3
    -8H,1-2H3,(H,14,16);
    JQRPUUYNOCHMQZ-UHFFFAOYSA-N    		 CN(C)c1nccc(n1)c2c[nH]c3ncccc23; CN(C)c1
    nccc(n1)c2c[nH]c3c2cccn3    		 ~{N},~{N}-dimethyl-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
    26387 KR
    CHEMBL1233877    		 37 Kr InChI=1S/Kr;
    DNNSSWSSYDEUBZ-UHFFFAOYSA-N    		 [Kr] KRYPTON
    26388 KR0
    ZINC000165308908    		 6 C23 H44 O4 InChI=1S/C23H44O4/c1-3-5-
    7-9-11-13-15-18-22(24)26-
    20-17-21-27-23(25)19-16-1
    4-12-10-8-6-4-2/h3-21H2,1
    -2H3;
    PXVAQENAIBBOHT-UHFFFAOYSA-N    		 CCCCCCCCCC(=O)OCCCOC(=O)CCCCCCCCC 3-decanoyloxypropyl decanoate
    26389 KR1
    CHEMBL1081651
    ZINC000049036301    		 1 C22 H20 F N5 O3 InChI=1S/C22H20FN5O3/c1-1
    1(2)18-19(20(29)15-5-12(3
    )4-13(6-15)9-24)28(22(31)
    27-21(18)30)10-14-7-16(23
    )26-17(25)8-14/h4-8,11H,1
    0H2,1-3H3,(H2,25,26)(H,27
    ,30,31);
    SORPAQIMHXALKW-UHFFFAOYSA-N    		 CC(C)C1=C(N(Cc2cc(N)nc(F)c2)C(=O)NC1=O)C
    (=O)c3cc(C)cc(c3)C#N; Cc1cc(cc(c1)C(=O)C
    2=C(C(=O)NC(=O)N2Cc3cc(nc(c3)F)N)C(C)C)C
    #N    		 3-({3-[(2-amino-6-fluoropyridin-4-yl)methyl]-5-(1-methylethyl)-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl}carbonyl)-5-methylbenzonitrile
    26390 KR2
    CHEMBL513425
    DB08051
    ZINC000016052306    		 2 C22 H24 F3 N3 O2 InChI=1S/C22H24F3N3O2/c23
    -18-14-20(25)19(24)12-16(
    18)11-17(26)13-21(29)27-9
    -5-2-6-10-28(27)22(30)15-
    7-3-1-4-8-15/h1,3-4,7-8,1
    2,14,17H,2,5-6,9-11,13,26
    H2/t17-/m1/s1;
    XXRHRPGYYNOBHO-QGZVFWFLSA-N    		 c1ccc(cc1)C(=O)N2CCCCCN2C(=O)CC(Cc3cc(c(
    cc3F)F)F)N; N[C@@H](CC(=O)N1CCCCCN1C(=O)
    c2ccccc2)Cc3cc(F)c(F)cc3F; N[CH](CC(=O)N
    1CCCCCN1C(=O)c2ccccc2)Cc3cc(F)c(F)cc3F;
    O=C(N2N(C(=O)c1ccccc1)CCCCC2)CC(N)Cc3cc(
    F)c(F)cc3F; c1ccc(cc1)C(=O)N2CCCCCN2C(=O
    )C[C@@H](Cc3cc(c(cc3F)F)F)N    		 (2R)-4-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-OXO-1-(2,4,5-TRIFLUOROPHENYL)BUTAN-2-AMINE;
    (R)-3-AMINO-1-(2-BENZOYL-1,2-DIAZEPAN-1-YL)-4-(2,4,5-TRIFLUOROPHENYL)BUTAN-1-ONE
    26391 KR3
    ZINC000002041390    		 0 C9 H18 N2 O4 InChI=1S/C9H18N2O4/c1-2-1
    5-9(14)11-6-4-3-5-7(10)8(
    12)13/h7H,2-6,10H2,1H3,(H
    ,11,14)(H,12,13)/t7-/m0/s
    1;
    XMVZHEKLZHYPQS-ZETCQYMHSA-N    		 CCOC(=O)NCCCC[C@H](N)C(O)=O; O=C(NCCCCC(
    N)C(=O)O)OCC; CCOC(=O)NCCCC[CH](N)C(O)=O
    ; CCOC(=O)NCCCC[C@@H](C(=O)O)N; CCOC(=O)
    NCCCCC(C(=O)O)N    		 N~6~-(ethoxycarbonyl)-L-lysine
    26392 KR4
    CHEMBL4570605    		 2 C19 H19 Cl N4 O InChI=1S/C19H19ClN4O/c1-2
    -17-22-18(14-4-3-5-15(20)
    12-14)24-19(23-17)21-16-8
    -6-13(7-9-16)10-11-25/h3-
    9,12,25H,2,10-11H2,1H3,(H
    ,21,22,23,24);
    WKMVCRJLJVVRHA-UHFFFAOYSA-N    		 CCc1nc(nc(n1)Nc2ccc(cc2)CCO)c3cccc(c3)Cl
    ; CCc1nc(Nc2ccc(CCO)cc2)nc(n1)c3cccc(Cl)
    c3; c2(nc(CC)nc(c1cc(Cl)ccc1)n2)Nc3ccc(c
    c3)CCO    		 2-(4-{[4-(3-chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
    26393 KR5
    ZINC000219082714    		 1 C14 H18 N4 O3 S InChI=1S/C14H18N4O3S/c1-1
    0-9-11(2)18(17-10)14(19)7
    -8-16-12-3-5-13(6-4-12)22
    (15,20)21/h3-6,9,16H,7-8H
    2,1-2H3,(H2,15,20,21);
    SQGUOOCGLKRFBU-UHFFFAOYSA-N    		 Cc1cc(n(n1)C(=O)CCNc2ccc(cc2)S(=O)(=O)N)
    C; O=C(n1nc(cc1C)C)CCNc2ccc(cc2)S(=O)(=O
    )N; Cc1cc(C)n(n1)C(=O)CCNc2ccc(cc2)[S](N
    )(=O)=O    		 4-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)-3-oxopropyl]amino}benzenesulfonamide
    26394 KR6 1 C13 H21 N O3 S Se2 InChI=1S/C13H21NO3SSe2/c1
    -2-3-8-19-9-11(15)10-20-1
    3-6-4-12(5-7-13)18(14,16)
    17/h4-7,11,15H,2-3,8-10H2
    ,1H3,(H2,14,16,17)/t11-/m
    0/s1;
    OQEKMFRBPRHRCV-NSHDSACASA-N    		 CCCC[Se]CC(C[Se]c1ccc(cc1)S(=O)(=O)N)O;
    CCCC[Se]C[C@@H](C[Se]c1ccc(cc1)S(=O)(=O)
    N)O; CCCC[Se]C[CH](O)C[Se]c1ccc(cc1)[S](
    N)(=O)=O; CCCC[Se]C[C@H](O)C[Se]c1ccc(cc
    1)[S](N)(=O)=O    		 4-[(2S)-3-butylselanyl-2-oxidanyl-propyl]selanylbenzenesulfonamide
    26395 KR7
    CHEMBL4541964
    DB14790    		 4 C21 H15 Cl F3 N O2 InChI=1S/C21H15ClF3NO2/c2
    2-17-3-1-2-16(12-17)18-9-
    15(10-19(26-18)21(23,24)2
    5)8-13-4-6-14(7-5-13)11-2
    0(27)28/h1-7,9-10,12H,8,1
    1H2,(H,27,28);
    LTSUMTMGJHPGFX-UHFFFAOYSA-N    		 C(c2cc(C(F)(F)F)nc(c1cccc(c1)Cl)c2)c3ccc
    (cc3)CC(=O)O; OC(=O)Cc1ccc(Cc2cc(nc(c2)C
    (F)(F)F)c3cccc(Cl)c3)cc1; c1cc(cc(c1)Cl)
    c2cc(cc(n2)C(F)(F)F)Cc3ccc(cc3)CC(=O)O    		 (4-{[2-(3-chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl]methyl}phenyl)acetic acid
    26396 KR8
    CHEMBL360866
    ZINC000013582565    		 4 C17 H14 N6 InChI=1S/C17H14N6/c1-22(1
    3-6-3-2-4-7-13)17-18-11-9
    -15(21-17)14-12-20-23-16(
    14)8-5-10-19-23/h2-12H,1H
    3;
    XYEFJKRTJUALOK-UHFFFAOYSA-N    		 CN(c1ccccc1)c2nccc(n2)c3cnn4ncccc34; CN(
    c1ccccc1)c2nccc(n2)c3cnn4c3cccn4    		 ~{N}-methyl-~{N}-phenyl-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine
    26397 KR9 1 C29 H24 F3 N5 O4 InChI=1S/C29H24F3N5O4/c1-
    33-27(38)24(11-17-14-35-2
    2-6-4-3-5-19(17)22)37-28(
    39)23-9-7-16-13-34-15-21(
    26(16)36-23)20-12-18(41-2
    9(30,31)32)8-10-25(20)40-
    2/h3-10,12-15,24,35H,11H2
    ,1-2H3,(H,33,38)(H,37,39)
    /t24-/m0/s1;
    HXNJLYFKGOKJJR-DEOSSOPVSA-N    		 CNC(=O)[C@H](Cc1c[nH]c2c1cccc2)NC(=O)c3c
    cc4cncc(c4n3)c5cc(ccc5OC)OC(F)(F)F; CNC(
    =O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c3ccc4c
    ncc(c5cc(OC(F)(F)F)ccc5OC)c4n3; CNC(=O)C
    (Cc1c[nH]c2c1cccc2)NC(=O)c3ccc4cncc(c4n3
    )c5cc(ccc5OC)OC(F)(F)F; CNC(=O)[CH](Cc1c
    [nH]c2ccccc12)NC(=O)c3ccc4cncc(c5cc(OC(F
    )(F)F)ccc5OC)c4n3    		 ~{N}-[(2~{S})-3-(1~{H}-indol-3-yl)-1-(methylamino)-1-oxidanylidene-propan-2-yl]-8-[2-methoxy-5-(trifluoromethyloxy)phenyl]-1,6-naphthyridine-2-carboxamide
    26398 KRA
    CHEMBL1233878
    ZINC000006529331    		 0 C16 H14 O3 InChI=1S/C16H14O3/c17-14-
    8-6-13(7-9-14)11-16(19)15
    (18)10-12-4-2-1-3-5-12/h1
    -9,17H,10-11H2;
    PJJNUMKZYDTVRG-UHFFFAOYSA-N    		 O=C(C(=O)Cc1ccc(O)cc1)Cc2ccccc2; Oc1ccc(
    CC(=O)C(=O)Cc2ccccc2)cc1; c1ccc(cc1)CC(=
    O)C(=O)Cc2ccc(cc2)O    		 KURASOIN A;
    1-(4-HYDROXY-PHENYL)-4-PHENYL-BUTANE-2,3-DIONE
    26399 KRB
    CHEMBL1233879
    ZINC000006529329    		 0 C18 H15 N O2 InChI=1S/C18H15NO2/c20-17
    (10-13-6-2-1-3-7-13)18(21
    )11-14-12-19-16-9-5-4-8-1
    5(14)16/h1-9,12,19H,10-11
    H2;
    AWNMAACWZSNOOV-UHFFFAOYSA-N    		 O=C(Cc1ccccc1)C(=O)Cc2c[nH]c3ccccc23; c1
    ccc(cc1)CC(=O)C(=O)Cc2c[nH]c3c2cccc3; O=
    C(C(=O)Cc2c1ccccc1nc2)Cc3ccccc3    		 KURASOIN B;
    1-(2H-INDOL-3-YL)-4-PHENYL-BUTANE-2,3-DIONE
    26400 KRC
    CHEMBL2042803
    ZINC000101510955    		 1 C30 H27 N O7 InChI=1S/C30H27NO7/c1-5-1
    6-10-11-17-8-6-7-9-18(17)
    19(16)14-31-29(36)25-22(3
    7-4)12-21(34)26-27(25)38-
    23-13-20(33)24(15(2)32)28
    (35)30(23,26)3/h6-13,33-3
    4H,5,14H2,1-4H3,(H,31,36)
    /t30-/m1/s1;
    CCHJJXMWNNECOU-SSEXGKCCSA-N    		 CCc1ccc2ccccc2c1CNC(=O)c3c(cc(c4c3OC5=CC
    (=C(C(=O)[C@@]45C)C(=O)C)O)O)OC; O=C(NCc
    2c1ccccc1ccc2CC)c4c3OC5=CC(O)=C(C(=O)C5(
    c3c(O)cc4OC)C)C(=O)C; CCc1ccc2ccccc2c1CN
    C(=O)c3c(cc(c4c3OC5=CC(=C(C(=O)C45C)C(=O
    )C)O)O)OC; CCc1ccc2ccccc2c1CNC(=O)c3c(OC
    )cc(O)c4c3OC5=CC(=C(C(C)=O)C(=O)[C@@]45C
    )O; CCc1ccc2ccccc2c1CNC(=O)c3c(OC)cc(O)c
    4c3OC5=CC(=C(C(C)=O)C(=O)[C]45C)O    		 (9aS)-8-acetyl-N-[(2-ethylnaphthalen-1-yl)methyl]-1,7-dihydroxy-3-methoxy-9a-methyl-9-oxo-9,9a-dihydrodibenzo[b,d]furan-4-carboxamide
    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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