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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 hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    27401
    LKD    		 1 C29 H28 Cl F2 N3 O2 S InChI=1S/C29H28ClF2N3O2S/
    c1-33-20-4-6-21(7-5-20)35
    (29(36)28-26(30)25-22(31)
    8-9-23(32)27(25)38-28)16-
    19-15-18(3-10-24(19)37-2)
    17-11-13-34-14-12-17/h3,8
    -15,20-21,33H,4-7,16H2,1-
    2H3/t20-,21-;
    YVIFQUJDZSAFKG-MEMLXQNLSA-N    		 CN[CH]1CC[CH](CC1)N(Cc2cc(ccc2OC)c3ccncc
    3)C(=O)c4sc5c(F)ccc(F)c5c4Cl; CNC1CCC(CC
    1)N(Cc2cc(ccc2OC)c3ccncc3)C(=O)c4c(c5c(c
    cc(c5s4)F)F)Cl; C5(NC)CCC(N(C(=O)c2c(Cl)
    c1c(c(ccc1F)F)s2)Cc3c(ccc(c3)c4ccncc4)OC
    )CC5; CN[C@H]1CC[C@@H](CC1)N(Cc2cc(ccc2O
    C)c3ccncc3)C(=O)c4sc5c(F)ccc(F)c5c4Cl    		 3-chloro-4,7-difluoro-N-{[2-methoxy-5-(pyridin-4-yl)phenyl]methyl}-N-[trans-4-(methylamino)cyclohexyl]-1-benzothiophene-2-carboxamide
    27402
    LKE    		 0 C13 H12 N6 O3 InChI=1S/C13H12N6O3/c14-6
    -11-16-10(13(22)19(11)7-1
    2(20)21)5-8-1-3-9(4-2-8)1
    7-18-15/h1-5H,6-7,14H2,(H
    ,20,21)/b10-5-;
    LLZZHPRLBAOKOQ-YHYXMXQVSA-N    		 c1cc(ccc1/C=C\2/C(=O)N(C(=N2)CN)CC(=O)O)
    N=[N+]=[N-]; c1cc(ccc1C=C2C(=O)N(C(=N2)C
    N)CC(=O)O)N=[N+]=[N-]; NCC1=NC(=Cc2ccc(c
    c2)N=[N+]=[N-])C(=O)N1CC(O)=O; NCC1=N\C(
    =C/c2ccc(cc2)N=[N+]=[N-])C(=O)N1CC(O)=O    		 2-[(4~{Z})-2-(aminomethyl)-4-[(4-azidophenyl)methylidene]-5-oxidanylidene-imidazol-1-yl]ethanoic acid
    27403
    LKF
    CHEMBL3262043
    ZINC000098209116    		 2 C18 H24 N6 O2 InChI=1S/C18H24N6O2/c1-13
    (25-3)11-23-12-15(10-20-2
    3)16-14(2)21-18-17(19-4-5
    -24(16)18)22-6-8-26-9-7-2
    2/h4-5,10,12-13H,6-9,11H2
    ,1-3H3/t13-/m0/s1;
    DPAWKOUFAHFNNS-ZDUSSCGKSA-N    		 Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)CC(C)
    OC; Cc1c(n2ccnc(c2n1)N3CCOCC3)c4cnn(c4)C
    [C@H](C)OC; CO[CH](C)Cn1cc(cn1)c2n3ccnc(
    N4CCOCC4)c3nc2C; CO[C@@H](C)Cn1cc(cn1)c2
    n3ccnc(N4CCOCC4)c3nc2C; n2ccn4c(c1cn(nc1
    )CC(OC)C)c(nc4c2N3CCOCC3)C    		 4-[3-[1-[(2S)-2-methoxypropyl]pyrazol-4-yl]-2-methyl-imidazo[1,2-a]pyrazin-8-yl]morpholine
    27404
    LKG
    CHEMBL495898
    DB08111
    ZINC000016052803    		 1 C18 H14 N4 O InChI=1S/C18H14N4O/c23-15
    -8-6-13(7-9-15)12-18-20-1
    9-17-11-10-16(21-22(17)18
    )14-4-2-1-3-5-14/h1-11,23
    H,12H2;
    ZGJYGQLGSXWEMY-UHFFFAOYSA-N    		 Oc1ccc(Cc2nnc3ccc(nn23)c4ccccc4)cc1; c1c
    cc(cc1)c2ccc3nnc(n3n2)Cc4ccc(cc4)O; n1c(
    ccc2nnc(n12)Cc3ccc(O)cc3)c4ccccc4    		 4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl]phenol
    27405
    LKH
    ZINC000001478068    		 2 C16 H11 Cl N4 O2 S InChI=1S/C16H11ClN4O2S/c1
    7-13-7-5-11(6-8-13)14-19-
    20-16(24)21(14)18-9-10-1-
    3-12(4-2-10)15(22)23/h1-9
    H,(H,20,24)(H,22,23)/b18-
    9+;
    CQVXUWVBXDJAGD-GIJQJNRQSA-N    		 c1cc(ccc1/C=N/N2C(=NNC2=S)c3ccc(cc3)Cl)C
    (=O)O; c1cc(ccc1C=NN2C(=NNC2=S)c3ccc(cc3
    )Cl)C(=O)O; OC(=O)c1ccc(cc1)\C=N\N2C(=S)
    NN=C2c3ccc(Cl)cc3; OC(=O)c1ccc(cc1)C=NN2
    C(=S)NN=C2c3ccc(Cl)cc3    		 4-[(~{E})-[3-(4-chlorophenyl)-5-sulfanylidene-1~{H}-1,2,4-triazol-4-yl]iminomethyl]benzoic acid
    27406
    LKI    		 1 C12 H11 Cl N2 O2 S InChI=1S/C12H11ClN2O2S/c1
    -9-5-6-14-8-12(9)15-18(16
    ,17)11-4-2-3-10(13)7-11/h
    2-8,15H,1H3;
    XFTYNEPZRSHDOA-UHFFFAOYSA-N    		 Cc1ccncc1NS(=O)(=O)c2cccc(c2)Cl; O=S(=O)
    (Nc1cnccc1C)c1cccc(Cl)c1; Cc1ccncc1N[S](
    =O)(=O)c2cccc(Cl)c2    		 3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide
    27407
    LKJ
    ZINC000150344446    		 3 C53 H60 N8 O6 InChI=1S/C53H60N8O6/c62-4
    9(54-33-36-14-11-19-39(28
    -36)37-15-3-1-4-16-37)44-
    29-40(31-46(55-44)51(64)6
    0-26-12-20-42(60)34-58-22
    -7-8-23-58)41-30-45(50(63
    )57-48(53(66)67)38-17-5-2
    -6-18-38)56-47(32-41)52(6
    5)61-27-13-21-43(61)35-59
    -24-9-10-25-59/h1,3-4,9-1
    1,14-16,19,24-25,28-32,38
    ,42-43,48H,2,5-8,12-13,17
    -18,20-23,26-27,33-35H2,(
    H,54,62)(H,57,63)(H,66,67
    )/t42-,43-,48-/m1/s1;
    OURBCKKEKMWLAJ-JYIFATIISA-N    		 O=C(O)C(NC(=O)c3nc(C(=O)N2C(Cn1cccc1)CCC
    2)cc(c3)c6cc(nc(C(=O)NCc5cccc(c4ccccc4)c
    5)c6)C(=O)N7CCCC7CN8CCCC8)C9CCCCC9; c1cc
    c(cc1)c2cccc(c2)CNC(=O)c3cc(cc(n3)C(=O)N
    4CCC[C@@H]4CN5CCCC5)c6cc(nc(c6)C(=O)N7CC
    C[C@@H]7Cn8cccc8)C(=O)N[C@H](C9CCCCC9)C(
    =O)O; OC(=O)[CH](NC(=O)c1cc(cc(n1)C(=O)N
    2CCC[CH]2Cn3cccc3)c4cc(nc(c4)C(=O)N5CCC[
    CH]5CN6CCCC6)C(=O)NCc7cccc(c7)c8ccccc8)C
    9CCCCC9; OC(=O)[C@H](NC(=O)c1cc(cc(n1)C(
    =O)N2CCC[C@@H]2Cn3cccc3)c4cc(nc(c4)C(=O)
    N5CCC[C@@H]5CN6CCCC6)C(=O)NCc7cccc(c7)c8
    ccccc8)C9CCCCC9; c1ccc(cc1)c2cccc(c2)CNC
    (=O)c3cc(cc(n3)C(=O)N4CCCC4CN5CCCC5)c6cc
    (nc(c6)C(=O)N7CCCC7Cn8cccc8)C(=O)NC(C9CC
    CCC9)C(=O)O    		 (2R)-{[(2'-[(biphenyl-3-ylmethyl)carbamoyl]-6'-{[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-6-{[(2R)-2-(1H-pyrrol-1-ylmethyl)pyrrolidin-1-yl]carbonyl}-4,4'-bipyridin-2-yl)carbonyl]amino}(cyclohexyl)ethanoic acid
    27408
    LKK    		 1 C16 H21 Br N4 O4 S InChI=1S/C16H21BrN4O4S/c1
    -3-16(4-2,26(23,24)25)15(
    22)18-9-14-11-21(20-19-14
    )10-12-5-7-13(17)8-6-12/h
    5-8,11H,3-4,9-10H2,1-2H3,
    (H,18,22)(H,23,24,25);
    XOALJRIEKUWYNB-UHFFFAOYSA-N    		 CCC(CC)(C(=O)NCc1cn(Cc2ccc(Br)cc2)nn1)[S
    ](O)(=O)=O; CCC(CC)(C(=O)NCc1cn(nn1)Cc2c
    cc(cc2)Br)S(=O)(=O)O    		 3-[[1-[(4-bromophenyl)methyl]-1,2,3-triazol-4-yl]methylcarbamoyl]pentane-3-sulfonic acid
    27409
    LKL
    CHEMBL4965335
    ZINC000086711404    		 1 C8 H10 Cl F N2 O InChI=1S/C8H10ClFN2O/c1-1
    2(2-3-13)8-7(10)4-6(9)5-1
    1-8/h4-5,13H,2-3H2,1H3;
    WBIQOAOWXPGYEU-UHFFFAOYSA-N    		 Fc1cc(Cl)cnc1N(C)CCO; CN(CCO)c1c(cc(cn1)
    Cl)F; CN(CCO)c1ncc(Cl)cc1F    		 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol
    27410
    LKM
    CHEMBL457526
    DB08112
    ZINC000040848762    		 1 C23 H19 F N2 O7 S InChI=1S/C23H19FN2O7S/c24
    -20-9-14(12-25)1-2-17(20)
    13-33-18-5-3-16-11-19(6-4
    -15(16)10-18)34(31,32)26-
    21(23(29)30)7-8-22(27)28/
    h1-6,9-11,21,26H,7-8,13H2
    ,(H,27,28)(H,29,30)/t21-/
    m1/s1;
    IRJUSGUHNFMVCK-OAQYLSRUSA-N    		 c1cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(
    =O)N[C@H](CCC(=O)O)C(=O)O; OC(=O)CC[C@@H
    ](N[S](=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)
    ccc2c1)C(O)=O; O=C(O)C(NS(=O)(=O)c1ccc3c
    (c1)ccc(OCc2ccc(C#N)cc2F)c3)CCC(=O)O; c1
    cc(c(cc1C#N)F)COc2ccc3cc(ccc3c2)S(=O)(=O
    )NC(CCC(=O)O)C(=O)O; OC(=O)CC[CH](N[S](=
    O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C
    (O)=O    		 N-({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)-D-GLUTAMIC ACID
    27411
    LKO    		 0 C27 H25 N2 O4 InChI=1S/C27H25N2O4/c1-30
    -23-6-5-19-20(4-3-17-7-10
    -28-11-8-17)26-21-14-25-2
    4(32-16-33-25)13-18(21)9-
    12-29(26)15-22(19)27(23)3
    1-2/h5-8,10-11,13-15H,3-4
    ,9,12,16H2,1-2H3/q+1;
    RNEIDRUOMNDERD-UHFFFAOYSA-N    		 COc1ccc2c(c1OC)c[n+]3c(c2CCc4ccncc4)-c5c
    c6c(cc5CC3)OCO6; COc1ccc2c(CCc3ccncc3)c4
    c5cc6OCOc6cc5CC[n+]4cc2c1OC    		 16,17-dimethoxy-21-(2-pyridin-4-ylethyl)-5,7-dioxa-13$l^{4}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaene
    27412
    LKP
    CHEMBL3989951
    DB15439    		 2 C18 H21 F N2 O2 InChI=1S/C18H21FN2O2/c19-
    14-3-1-2-13-16-9-20-10-21
    (16)15(18(13)14)8-17(23)1
    1-4-6-12(22)7-5-11/h1-3,9
    -12,15,17,22-23H,4-8H2/t1
    1-,12-,15-,17+/m0/s1;
    YGACXVRLDHEXKY-WXRXAMBDSA-N    		 c1cc-2c(c(c1)F)C(n3c2cnc3)CC(C4CCC(CC4)O
    )O; c23C(CC(O)C1CCC(CC1)O)n4c(c2cccc3F)c
    nc4; c1cc-2c(c(c1)F)[C@@H](n3c2cnc3)C[C@
    H](C4CCC(CC4)O)O; O[CH]1CC[CH](CC1)[CH](
    O)C[CH]2n3cncc3c4cccc(F)c24; O[C@H]1CC[C
    @@H](CC1)[C@H](O)C[C@@H]2n3cncc3c4cccc(F
    )c24    		 trans-4-{(1R)-2-[(5S)-6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-1-hydroxyethyl}cyclohexan-1-ol;
    Navoximod
    27413
    LKQ
    CHEMBL4441479    		 2 C25 H24 N8 O2 InChI=1S/C25H24N8O2/c1-14
    -11-28-25(30-20-13-33(3)3
    2-24(20)35-4)31-21(14)18-
    12-27-22-17(18)7-5-9-19(2
    2)29-23(34)16-8-6-10-26-1
    5(16)2/h5-13,27H,1-4H3,(H
    ,29,34)(H,28,30,31);
    VVOKUJIAOSWPTI-UHFFFAOYSA-N    		 Cc1cnc(nc1c2c[nH]c3c2cccc3NC(=O)c4cccnc4
    C)Nc5cn(nc5OC)C; COc1nn(C)cc1Nc2ncc(C)c(
    n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34    		 ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide
    27414
    LKR
    CHEMBL170405
    ZINC000004098600    		 2 C15 H10 O7 InChI=1S/C15H10O7/c16-7-1
    -2-8-11(5-7)22-15(14(21)1
    2(8)19)6-3-9(17)13(20)10(
    18)4-6/h1-5,16-18,20-21H;
    SOEDEYVDCDYMMH-UHFFFAOYSA-N    		 Oc1ccc2C(=O)C(=C(Oc2c1)c3cc(O)c(O)c(O)c3
    )O; c1cc2c(cc1O)OC(=C(C2=O)O)c3cc(c(c(c3
    )O)O)O    		 3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one;
    Robinetin
    27415
    LKS
    ZINC000006578984    		 1 C14 H20 N2 O4 S InChI=1S/C14H20N2O4S/c15-
    10(6-8-4-2-1-3-5-8)16-14-
    13(20)12(19)11(18)9(7-17)
    21-14/h1-5,9,11-14,17-20H
    ,6-7H2,(H2,15,16)/t9-,11-
    ,12+,13+,14+/m1/s1;
    WKJQYOUTPMBFSL-CYDRSHDDSA-N    		 OC[C@H]1S[C@H](NC(=N)Cc2ccccc2)[C@@H](O)
    [C@@H](O)[C@@H]1O; [N@H]=C(NC1SC(C(O)C(O
    )C1O)CO)Cc2ccccc2; OC[CH]1S[CH](NC(=N)Cc
    2ccccc2)[CH](O)[CH](O)[CH]1O; [H]/N=C(/C
    c1ccccc1)\N[C@@H]2[C@H]([C@H]([C@@H]([C@
    H](S2)CO)O)O)O; [H]N=C(Cc1ccccc1)NC2C(C(
    C(C(S2)CO)O)O)O    		 N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine;
    N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE;
    2-C-PHENYL-N-(5-THIO-A/B-D-MANNOPYRANOSYL)ACETAMIDINIUM;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannosylamine;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-D-mannosylamine;
    N-[(1Z)-2-phenylethanimidoyl]-5-thio-mannosylamine
    27416
    LKT    		 2 C23 H19 Cl N8 InChI=1S/C23H19ClN8/c24-1
    9-2-1-3-21(18(19)10-26)31
    -9-6-15(12-31)20(4-7-25)3
    2-13-16(11-30-32)22-17-5-
    8-27-23(17)29-14-28-22/h1
    -3,5,8,11,13-15,20H,4,6,9
    ,12H2,(H,27,28,29)/t15-,2
    0-/m0/s1;
    BKUZTJNOISYCFG-YWZLYKJASA-N    		 c1cc(c(c(c1)Cl)C#N)N2CCC(C2)C(CC#N)n3cc(
    cn3)c4c5cc[nH]c5ncn4; Clc1cccc(N2CC[C@@H
    ](C2)[C@H](CC#N)n3cc(cn3)c4ncnc5[nH]ccc4
    5)c1C#N; Clc1cccc(N2CC[CH](C2)[CH](CC#N)
    n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N; c1cc(c(
    c(c1)Cl)C#N)N2CC[C@@H](C2)[C@H](CC#N)n3c
    c(cn3)c4c5cc[nH]c5ncn4    		 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile
    27417
    LKU
    ZINC000000364992    		 1 C14 H12 F N O2 InChI=1S/C14H12FNO2/c1-9-
    5-6-12(8-13(9)17)16-14(18
    )10-3-2-4-11(15)7-10/h2-8
    ,17H,1H3,(H,16,18);
    HSWJYBWHEHPWSP-UHFFFAOYSA-N    		 Cc1ccc(cc1O)NC(=O)c2cccc(c2)F; Cc1ccc(NC
    (=O)c2cccc(F)c2)cc1O    		 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
    27418
    LKV    		 5 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-9(
    2)13(14(19)17-10(3)16(21)
    22)18-8-11-6-4-5-7-12(11)
    15(18)20/h4-7,9-10,13H,8H
    2,1-3H3,(H,17,19)(H,21,22
    )/t10-,13-/m0/s1;
    ZLJCDMXBPPBVSF-GWCFXTLKSA-N    		 CC(C)[C@H](N1Cc2ccccc2C1=O)C(=O)N[C@@H](
    C)C(O)=O; CC(C)C(C(=O)NC(C)C(=O)O)N1Cc2c
    cccc2C1=O; C[C@@H](C(=O)O)NC(=O)[C@H](C(
    C)C)N1Cc2ccccc2C1=O; CC(C)[CH](N1Cc2cccc
    c2C1=O)C(=O)N[CH](C)C(O)=O    		 (2~{S})-2-[[(2~{S})-3-methyl-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)butanoyl]amino]propanoic acid
    27419
    LKW
    ZINC000020492357    		 2 C22 H17 N3 O4 InChI=1S/C22H17N3O4/c1-2-
    12-3-5-14(6-4-12)19-18-16
    (22(28)29)11-17(23-20(18)
    25-24-19)13-7-9-15(10-8-1
    3)21(26)27/h3-11H,2H2,1H3
    ,(H,26,27)(H,28,29)(H,23,
    24,25);
    AJRMTRZJIPBKHX-UHFFFAOYSA-N    		 CCc1ccc(cc1)c2[nH]nc3nc(cc(C(O)=O)c23)c4
    ccc(cc4)C(O)=O; CCc1ccc(cc1)c2c3c(cc(nc3
    n[nH]2)c4ccc(cc4)C(=O)O)C(=O)O    		 6-(4-carboxyphenyl)-3-(4-ethylphenyl)-2~{H}-pyrazolo[3,4-b]pyridine-4-carboxylic acid
    27420
    LKX    		 1 C10 H9 Cl N4 O2 InChI=1S/C10H9ClN4O2/c11-
    8-3-1-2-7(4-8)5-9(16)14-1
    5-6-12-13-10(15)17/h1-4,6
    H,5H2,(H,13,17)(H,14,16);
    IADLNEMEFCQDCX-UHFFFAOYSA-N    		 c1cc(cc(c1)Cl)CC(=O)NN2C=NNC2=O; Clc1ccc
    c(CC(=O)NN2C=NNC2=O)c1; O=C1NN=CN1NC(=O)
    Cc1cccc(Cl)c1    		 2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide
    27421
    LKY
    CHEMBL5281816    		 3 C27 H31 F N4 O2 InChI=1S/C27H31FN4O2/c1-1
    8-16-31(10-11-32(18)27(34
    )21-7-3-4-8-21)17-23-13-2
    4(28)14-25(19(23)2)30-26(
    33)22-9-5-6-20(12-22)15-2
    9/h5-6,9,12-14,18,21H,3-4
    ,7-8,10-11,16-17H2,1-2H3,
    (H,30,33)/t18-/m0/s1;
    AQGBWBMWWNRWNU-SFHVURJKSA-N    		 C[CH]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc(NC(
    =O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC(=O)c
    2cccc(c2)C#N)F)CN3CCN(C(C3)C)C(=O)C4CCCC
    4; C[C@H]1CN(CCN1C(=O)C2CCCC2)Cc3cc(F)cc
    (NC(=O)c4cccc(c4)C#N)c3C; Cc1c(cc(cc1NC(
    =O)c2cccc(c2)C#N)F)CN3CCN([C@H](C3)C)C(=
    O)C4CCCC4; c1(c(cc(cc1CN2CC(C)N(CC2)C(C3
    CCCC3)=O)F)NC(=O)c4cc(ccc4)C#N)C    		 3-cyano-N-(3-{[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl}-5-fluoro-2-methylphenyl)benzamide
    27422
    LKZ    		 5 C12 H14 O6 InChI=1S/C12H14O6/c1-8(14
    )4-10(16)6-12(18)7-11(17)
    5-9(15)2-3-13/h3H,2,4-7H2
    ,1H3;
    PTGARLKYUIIZKU-UHFFFAOYSA-N    		 CC(=O)CC(=O)CC(=O)CC(=O)CC(=O)CC=O 3,5,7,9,11-pentakis(oxidanylidene)dodecanal
    27423
    LL0
    ZINC000036948432    		 6 C7 H7 F2 N O3 S InChI=1S/C7H7F2NO3S/c8-7(
    9)13-5-3-1-2-4-6(5)14(10,
    11)12/h1-4,7H,(H2,10,11,1
    2);
    XDODAVQVIOWLPT-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccccc1OC(F)F; O=S(N)(=O)c1
    ccccc1OC(F)F; c1ccc(c(c1)OC(F)F)S(=O)(=O
    )N    		 2-(difluoromethoxy)benzene-1-sulfonamide
    27424
    LL1
    CHEMBL1234032
    DB08113
    ZINC000039132370    		 1 C12 H9 N3 InChI=1S/C12H9N3/c1-2-4-1
    1-10(3-1)12(15-14-11)9-5-
    7-13-8-6-9/h1-8H,(H,14,15
    );
    MSRXUUDVRNWSTN-UHFFFAOYSA-N    		 n2c(c1ccccc1n2)c3ccncc3; [nH]1nc(c2ccncc
    2)c3ccccc13; c1ccc2c(c1)c(n[nH]2)c3ccncc
    3    		 3-pyridin-4-yl-1H-indazole
    27425
    LL2
    CHEMBL1234033
    DB08114
    ZINC000000063264    		 1 C10 H10 N2 S InChI=1S/C10H10N2S/c11-10
    -12-7-9(13-10)6-8-4-2-1-3
    -5-8/h1-5,7H,6H2,(H2,11,1
    2);
    FJIMLXBJUVLMMN-UHFFFAOYSA-N    		 n1cc(sc1N)Cc2ccccc2; Nc1sc(Cc2ccccc2)cn1
    ; c1ccc(cc1)Cc2cnc(s2)N    		 5-benzyl-1,3-thiazol-2-amine;
    5-Benzyl-thiazol-2-ylmaine
    27426
    LL3
    CHEMBL1773785    		 1 C19 H19 N3 O2 S InChI=1S/C19H19N3O2S/c23-
    17(13-14-5-2-1-3-6-14)22-
    10-8-15(9-11-22)19-20-18(
    21-24-19)16-7-4-12-25-16/
    h1-7,12,15H,8-11,13H2;
    FNAMKJFTCMWMKP-UHFFFAOYSA-N    		 c1ccc(cc1)CC(=O)N2CCC(CC2)c3nc(no3)c4ccc
    s4; O=C(Cc1ccccc1)N2CCC(CC2)c3onc(n3)c4s
    ccc4; O=C(N3CCC(c1onc(n1)c2sccc2)CC3)Cc4
    ccccc4    		 2-phenyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}ethanone
    27427
    LL4
    CHEMBL1773953
    ZINC000071329339    		 2 C17 H23 N3 O2 S InChI=1S/C17H23N3O2S/c1-1
    2(2)5-6-15(21)20-9-7-13(8
    -10-20)17-18-16(19-22-17)
    14-4-3-11-23-14/h3-4,11-1
    3H,5-10H2,1-2H3;
    QWPAQBJBWLSPSH-UHFFFAOYSA-N    		 CC(C)CCC(=O)N1CCC(CC1)c2nc(no2)c3cccs3;
    O=C(N3CCC(c1onc(n1)c2sccc2)CC3)CCC(C)C;
    CC(C)CCC(=O)N1CCC(CC1)c2onc(n2)c3sccc3    		 4-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one
    27428
    LL5
    CHEMBL1773955
    ZINC000071297061    		 1 C16 H22 N4 O2 S InChI=1S/C16H22N4O2S/c1-1
    0(2)13(17)16(21)20-7-5-11
    (6-8-20)15-18-14(19-22-15
    )12-4-3-9-23-12/h3-4,9-11
    ,13H,5-8,17H2,1-2H3/t13-/
    m0/s1;
    XUGKZTMKTMWUPY-ZDUSSCGKSA-N    		 CC(C)[C@H](N)C(=O)N1CC[C@H](CC1)c2onc(n2
    )c3sccc3; CC(C)[C@@H](C(=O)N1CCC(CC1)c2n
    c(no2)c3cccs3)N; CC(C)[CH](N)C(=O)N1CC[C
    H](CC1)c2onc(n2)c3sccc3; CC(C)C(C(=O)N1C
    CC(CC1)c2nc(no2)c3cccs3)N; O=C(N3CCC(c1o
    nc(n1)c2sccc2)CC3)C(N)C(C)C    		 (2S)-2-amino-3-methyl-1-{4-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}butan-1-one
    27429
    LL6    		 2 C20 H20 N2 O4 InChI=1S/C20H20N2O4/c1-13
    (20(25)26)21-18(23)17(11-
    14-7-3-2-4-8-14)22-12-15-
    9-5-6-10-16(15)19(22)24/h
    2-10,13,17H,11-12H2,1H3,(
    H,21,23)(H,25,26)/t13-,17
    -/m0/s1;
    UFEBTJRSHCOXAH-GUYCJALGSA-N    		 CC(C(=O)O)NC(=O)C(Cc1ccccc1)N2Cc3ccccc3C
    2=O; C[C@H](NC(=O)[C@H](Cc1ccccc1)N2Cc3c
    cccc3C2=O)C(O)=O; C[C@@H](C(=O)O)NC(=O)[
    C@H](Cc1ccccc1)N2Cc3ccccc3C2=O; C[CH](NC
    (=O)[CH](Cc1ccccc1)N2Cc3ccccc3C2=O)C(O)=
    O    		 (2~{S})-2-[[(2~{S})-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)-3-phenyl-propanoyl]amino]propanoic acid
    27430
    LL7    		 2 C25 H33 N3 O7 S InChI=1S/C25H33N3O7S/c1-3
    3-21-15-19(16-22(34-2)24(
    21)35-3)27-23(29)12-13-26
    -25(30)20-11-7-8-14-28(20
    )36(31,32)17-18-9-5-4-6-1
    0-18/h4-6,9-10,15-16,20H,
    7-8,11-14,17H2,1-3H3,(H,2
    6,30)(H,27,29)/t20-/m0/s1;
    WNVXSKRDYHCOMK-FQEVSTJZSA-N    		 COc1cc(NC(=O)CCNC(=O)[CH]2CCCCN2[S](=O)(
    =O)Cc3ccccc3)cc(OC)c1OC; COc1cc(cc(c1OC)
    OC)NC(=O)CCNC(=O)C2CCCCN2S(=O)(=O)Cc3ccc
    cc3; COc1cc(cc(c1OC)OC)NC(=O)CCNC(=O)[C@
    @H]2CCCCN2S(=O)(=O)Cc3ccccc3; COc1cc(NC(
    =O)CCNC(=O)[C@@H]2CCCCN2[S](=O)(=O)Cc3cc
    ccc3)cc(OC)c1OC    		 (2~{S})-~{N}-[3-oxidanylidene-3-[(3,4,5-trimethoxyphenyl)amino]propyl]-1-(phenylmethyl)sulfonyl-piperidine-2-carboxamide
    27431
    LL8    		 0 C15 H14 O3 InChI=1S/C15H14O3/c1-10(1
    6)7-15(17)13-4-3-12-9-14(
    18-2)6-5-11(12)8-13/h3-6,
    8-9H,7H2,1-2H3;
    HGXDFGVHMYOSDC-UHFFFAOYSA-N    		 COc1ccc2cc(ccc2c1)C(=O)CC(C)=O; CC(=O)CC
    (=O)c1ccc2cc(ccc2c1)OC; O=C(C)CC(=O)c1cc
    c2c(c1)ccc(OC)c2    		 1-(6-methoxynaphthalen-2-yl)butane-1,3-dione
    27432
    LL9
    ZINC000098209117    		 1 C10 H14 Cl N O4 S InChI=1S/C10H14ClNO4S/c1-
    16-10-3-2-8(6-9(10)11)7-1
    2-4-5-17(13,14)15/h2-3,6,
    12H,4-5,7H2,1H3,(H,13,14,
    15);
    BLSMHIDLTUGMQS-UHFFFAOYSA-N    		 Clc1cc(ccc1OC)CNCCS(=O)(=O)O; COc1ccc(cc
    1Cl)CNCCS(=O)(=O)O; COc1ccc(CNCC[S](O)(=
    O)=O)cc1Cl    		 2-[(3-chloro-4-methoxybenzyl)amino]ethanesulfonic acid
    27433
    LLA    		 0 C9 H10 O3 InChI=1/C9H10O3/c10-8(9(1
    1)12)6-7-4-2-1-3-5-7/h1-5
    ,8,10H,6H2,(H,11,12)/t8-/
    m0/s1/f/h11H;
    VOXXWSYKYCBWHO-KMJKUPBBDH    		 c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H]
    (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H](
    Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 L-2-HYDROXY-3-PHENYL-PROPIONIC ACID
    27434
    LLB
    ZINC000016052510    		 2 C29 H29 N O4 S InChI=1S/C29H29NO4S/c1-19
    -12-14-30(15-13-19)16-17-
    34-24-9-4-20(5-10-24)28(3
    3)27-25-11-8-23(32)18-26(
    25)35-29(27)21-2-6-22(31)
    7-3-21/h2-11,18-19,31-32H
    ,12-17H2,1H3;
    RLOZWABDAGQFIY-UHFFFAOYSA-N    		 CC1CCN(CCOc2ccc(cc2)C(=O)c3c(sc4cc(O)ccc
    34)c5ccc(O)cc5)CC1; CC1CCN(CC1)CCOc2ccc(
    cc2)C(=O)c3c4ccc(cc4sc3c5ccc(cc5)O)O; O=
    C(c1c3ccc(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN
    4CCC(C)CC4)cc5    		 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl]{4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl}methanone
    27435
    LLC
    CHEMBL10030    		 2 C27 H25 N O4 S InChI=1S/C27H25NO4S/c29-2
    0-7-3-19(4-8-20)27-25(23-
    12-9-21(30)17-24(23)33-27
    )26(31)18-5-10-22(11-6-18
    )32-16-15-28-13-1-2-14-28
    /h3-12,17,29-30H,1-2,13-1
    6H2;
    JLERVPBPJHKRBJ-UHFFFAOYSA-N    		 c1cc(ccc1c2c(c3ccc(cc3s2)O)C(=O)c4ccc(cc
    4)OCCN5CCCC5)O; Oc1ccc(cc1)c2sc3cc(O)ccc
    3c2C(=O)c4ccc(OCCN5CCCC5)cc4; O=C(c1c3cc
    c(O)cc3sc1c2ccc(O)cc2)c5ccc(OCCN4CCCC4)c
    c5    		 [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
    27436
    LLD
    CHEMBL3902318    		 5 C21 H25 N3 O5 S InChI=1S/C21H25N3O5S/c25-
    20(18-9-6-11-22-15-18)23-
    12-14-29-21(26)19-10-4-5-
    13-24(19)30(27,28)16-17-7
    -2-1-3-8-17/h1-3,6-9,11,1
    5,19H,4-5,10,12-14,16H2,(
    H,23,25)/t19-/m0/s1;
    YBYJEZJXJIOQAP-IBGZPJMESA-N    		 c1ccc(cc1)CS(=O)(=O)N2CCCCC2C(=O)OCCNC(=
    O)c3cccnc3; O=C(NCCOC(=O)[C@@H]1CCCCN1[S
    ](=O)(=O)Cc2ccccc2)c3cccnc3; c1ccc(cc1)C
    S(=O)(=O)N2CCCC[C@H]2C(=O)OCCNC(=O)c3ccc
    nc3; O=C(NCCOC(=O)[CH]1CCCCN1[S](=O)(=O)
    Cc2ccccc2)c3cccnc3    		 2-(pyridin-3-ylcarbonylamino)ethyl (2~{S})-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate
    27437
    LLE    		 8 C23 H39 N2 O13 P S InChI=1S/C23H39N2O13PS/c1
    -14(26)8-15(27)9-16(28)10
    -17(29)11-18(30)12-20(32)
    40-7-6-24-19(31)4-5-25-22
    (34)21(33)23(2,3)13-38-39
    (35,36)37/h9-11,20-21,27-
    29,32-33,35-37,39H,4-8,12
    -13H2,1-3H3,(H,24,31)(H,2
    5,34)/b15-9-,16-10-,17-11
    -/t20-,21+/m1/s1;
    FQZZDEAQTCCCMT-XOXVVNQZSA-N    		 CC(=O)C/C(=C/C(=C/C(=C/C(=O)C[C@H](O)SCC
    NC(=O)CCNC(=O)[C@@H](C(C)(C)COP(O)(O)O)O
    )/O)/O)/O; CC(=O)CC(O)=CC(O)=CC(O)=CC(=O
    )C[CH](O)SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)
    CO[PH](O)(O)O; CC(=O)CC(=CC(=CC(=CC(=O)C
    C(O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(O)(O)O
    )O)O)O)O; CC(=O)C/C(O)=C/C(O)=C/C(O)=C/C
    (=O)C[C@H](O)SCCNC(=O)CCNC(=O)[C@H](O)C(
    C)(C)CO[PH](O)(O)O    		 (2~{R})-3,3-dimethyl-2-oxidanyl-~{N}-[3-oxidanylidene-3-[2-[(1~{R},4~{Z},6~{Z},8~{Z})-1,5,7,9-tetrakis(oxidanyl)-3,11-bis(oxidanylidene)dodeca-4,6,8-trienyl]sulfanylethylamino]propyl]-4-[tris(oxidanyl)-$l^{5}-phosphanyl]oxy-butanamide
    27438
    LLF
    ZINC000036470925    		 1 C10 H13 F2 N2 O5 P InChI=1S/C10H13F2N2O5P/c1
    -6-10(15)8(3-13-4-9(11)12
    )7(2-14-6)5-19-20(16,17)1
    8/h2-3,9,15H,4-5H2,1H3,(H
    2,16,17,18)/b13-3+;
    OXVHZSPVJUCFDH-QLKAYGNNSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)C=NCC(F)F)O; FC
    (F)C/N=C/c1c(cnc(c1O)C)COP(=O)(O)O; Cc1n
    cc(CO[P](O)(O)=O)c(C=NCC(F)F)c1O    		 (4-{(E)-[(2,2-DIFLUOROETHYL)IMINO]METHYL}-5-HYDROXY-6-METHYLPYRIDIN-3-YL)METHYL DIHYDROGEN PHOSPHATE;
    (E)-N-(2,2-DIFLUOROETHYL)PYRIDOXIMINE-5'-PHOSPHATE
    27439
    LLG
    DB08115
    ZINC000053683366    		 2 C14 H15 N O2 InChI=1S/C14H15NO2/c15-8-
    9-17-14(16)10-12-6-3-5-11
    -4-1-2-7-13(11)12/h1-7H,8
    -10,15H2;
    PDCSQCHNOPNJMK-UHFFFAOYSA-N    		 NCCOC(=O)Cc1cccc2ccccc12; c1ccc2c(c1)ccc
    c2CC(=O)OCCN; O=C(OCCN)Cc2cccc1ccccc12    		 2-aminoethyl naphthalen-1-ylacetate
    27440
    LLH
    ZINC000002046851    		 10 C5 H9 N O7 InChI=1S/C5H9NO7/c7-1(3(9
    )5(11)12)2(8)4(10)6-13/h1
    -3,7-9,13H,(H,6,10)(H,11,
    12)/t1-,2+,3+/m0/s1;
    DMGBHBFPSRKPBV-ZVHKOUPVSA-N    		 ONC(=O)[CH](O)[CH](O)[CH](O)C(O)=O; ONC(
    =O)[C@H](O)[C@H](O)[C@@H](O)C(O)=O; [C@H
    ]([C@H](C(=O)NO)O)([C@H](C(=O)O)O)O; O=C
    (O)C(O)C(O)C(O)C(=O)NO; C(C(C(=O)NO)O)(C
    (C(=O)O)O)O    		 (2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID
    27441
    LLI    		 2 C27 H36 N4 O4 InChI=1S/C27H36N4O4/c1-34
    -23-13-12-19(18-24(23)35-
    17-16-30-15-14-28-27(30)3
    3)25-21-10-6-7-11-22(21)2
    6(32)31(29-25)20-8-4-2-3-
    5-9-20/h6-7,12-13,18,20-2
    2H,2-5,8-11,14-17H2,1H3,(
    H,28,33)/t21-,22+/m0/s1;
    YLCZKQRIIGKMHV-FCHUYYIVSA-N    		 COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)
    C(=O)[CH]5CC=CC[CH]35; COc1ccc(cc1OCCN2C
    CNC2=O)C3=NN(C(=O)[C@H]4[C@@H]3CC=CC4)C5
    CCCCCC5; COc1ccc(cc1OCCN2CCNC2=O)C3=NN(C
    4CCCCCC4)C(=O)[C@@H]5CC=CC[C@H]35; COc1c
    cc(cc1OCCN2CCNC2=O)C3=NN(C(=O)C4C3CC=CC4
    )C5CCCCCC5    		 (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-methoxy-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
    27442
    LLJ    		 0 C32 H44 N4 O2 InChI=1S/C32H40N4O2/c1-5-
    29-6-2-26-18-31(29)17-25(
    1)21-33-9-13-37-14-10-35-
    23-27-3-7-30-8-4-28(20-32
    (30)19-27)24-36-12-16-38-
    15-11-34-22-26/h1-8,17-20
    ,33-36H,9-16,21-24H2/p+4;
    GAVOKMJEFXZQJQ-UHFFFAOYSA-R    		 O4CC[NH2+]Cc2cc1cc(ccc1cc2)C[NH2+]CCOCC[
    NH2+]Cc5ccc3c(cc(cc3)C[NH2+]CC4)c5; c1cc
    2cc3c1ccc(c3)C[NH2+]CCOCC[NH2+]Cc4ccc5cc
    c(cc5c4)C[NH2+]CCOCC[NH2+]C2; C1COCC[NH2
    +]Cc2ccc3ccc(C[NH2+]CCOCC[NH2+]Cc4ccc5cc
    c(C[NH2+]1)cc5c4)cc3c2    		 6,22-dioxa-3,9,19,25-tetraazoniapentacyclo[25.5.3.3~11,17~.0~14,37~.0~30,34~]octatriaconta-1(33),11(38),12,14(37),15,17(36),27,29,31,34-decaene;
    2,8,19,25-tetraaza-5,22-dioxa-[9,9](2,7)naphthalenophane
    27443
    LLK    		 2 C15 H14 O2 InChI=1S/C15H14O2/c1-3-4-
    15(16)13-6-5-12-10-14(17-
    2)8-7-11(12)9-13/h3-10H,1
    -2H3/b4-3+;
    MDAHFYAQSIDRGG-ONEGZZNKSA-N    		 C/C=C/C(=O)c1ccc2cc(ccc2c1)OC; COc1ccc2c
    c(ccc2c1)C(=O)C=CC; COc1ccc2cc(ccc2c1)C(
    =O)/C=C/C; CC=CC(=O)c1ccc2cc(ccc2c1)OC;
    O=C(c1ccc2c(c1)ccc(OC)c2)/C=C/C    		 (2E)-1-(6-methoxynaphthalen-2-yl)but-2-en-1-one
    27444
    LLL
    CHEMBL194126
    DB04729
    ZINC000008216590    		 23 C19 H39 N5 O7 InChI=1S/C19H39N5O7/c1-19
    (27)7-28-18(13(26)16(19)2
    4-2)31-15-11(23)5-10(22)1
    4(12(15)25)30-17-9(21)4-3
    -8(6-20)29-17/h8-18,24-27
    H,3-7,20-23H2,1-2H3/t8-,9
    +,10-,11+,12-,13+,14+,15-
    ,16+,17+,18+,19-/m0/s1;
    VEGXETMJINRLTH-BOZYPMBZSA-N    		 CN[CH]1[CH](O)[CH](OC[C]1(C)O)O[CH]2[CH]
    (N)C[CH](N)[CH](O[CH]3O[CH](CN)CC[CH]3N)
    [CH]2O; O(C2C(O)C(OC1OC(CN)CCC1N)C(N)CC2
    N)C3OCC(O)(C(NC)C3O)C; CC1(COC(C(C1NC)O)
    OC2C(CC(C(C2O)OC3C(CCC(O3)CN)N)N)N)O; C[
    C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2
    [C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C
    @@H](CC[C@H](O3)CN)N)N)N)O; CN[C@@H]1[C@
    @H](O)[C@H](OC[C@]1(C)O)O[C@H]2[C@H](N)C
    [C@H](N)[C@@H](O[C@H]3O[C@H](CN)CC[C@H]3
    N)[C@@H]2O    		 (2R,3R,4R,5R)-2-((1S,2S,3R,4S,6R)-4,6-DIAMINO-3-((2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)-TETRAHYDRO-2H-PYRAN-2-YLOXY)-2-HYDR OXYCYCLOHEXYLOXY)-5-METHYL-4-(METHYLAMINO)-TETRAHYDRO-2H-PYRAN-3,5-DIOL;
    GENTAMICIN C1A
    27445
    LLM
    CHEMBL155405
    ZINC000043422573    		 2 C30 H42 O7 InChI=1S/C30H42O7/c1-19-1
    2-13-34-23(15-19)10-11-25
    (31)27-18-28-30(37-28)26(
    32)17-21(3)14-20(2)16-24-
    8-4-6-22(35-24)7-5-9-29(3
    3)36-27/h4-6,9-12,20,22-2
    8,30-32H,3,7-8,13-18H2,1-
    2H3/b9-5-,11-10+/t20-,22-
    ,23+,24-,25-,26-,27-,28-,
    30-/m0/s1;
    MSBQEQDLFWWWMV-XZZGLLCESA-N    		 CC1CC2CC=CC(O2)CC=CC(=O)OC(CC3C(O3)C(CC(
    =C)C1)O)C(C=CC4CC(=CCO4)C)O; C[C@@H]1C[C
    @@H]2CC=C[C@@H](C\C=C/C(=O)O[C@@H](C[C@@
    H]3O[C@H]3[C@@H](O)CC(=C)C1)[C@@H](O)/C=
    C/[C@@H]4CC(=CCO4)C)O2; O=C3OC(C(O)/C=C/
    C1OCC=C(C)C1)CC4OC4C(O)CC(=C)\CC(C)CC2OC
    (C=CC2)CC=C3; C[C@@H]1C[C@@H]2CC=C[C@H](
    O2)C/C=C\C(=O)O[C@@H](C[C@H]3[C@@H](O3)[
    C@H](CC(=C)C1)O)[C@H](/C=C/[C@@H]4CC(=CC
    O4)C)O; C[CH]1C[CH]2CC=C[CH](CC=CC(=O)O[
    CH](C[CH]3O[CH]3[CH](O)CC(=C)C1)[CH](O)C
    =C[CH]4CC(=CCO4)C)O2    		 Laulimalide;
    (1R,3S,7S,8S,10S,12S,15Z,18R)-7-hydroxy-12-{(1S,2E)-1-hydroxy-3-[(2S)-4-methyl-3,6-dihydro-2H-pyran-2-yl]prop-2-en-1-yl }-3-methyl-5-methylidene-9,13,22-trioxatricyclo[16.3.1.0~8,10~]docosa-15,19-dien-14-one
    27446
    LLN    		 2 C28 H38 N4 O5 InChI=1S/C28H38N4O5/c33-1
    6-18-37-24-12-11-20(19-25
    (24)36-17-15-31-14-13-29-
    28(31)35)26-22-9-5-6-10-2
    3(22)27(34)32(30-26)21-7-
    3-1-2-4-8-21/h5-6,11-12,1
    9,21-23,33H,1-4,7-10,13-1
    8H2,(H,29,35)/t22-,23+/m0
    /s1;
    NSRKPNKUYKBHPD-XZOQPEGZSA-N    		 OCCOc1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC
    4)C(=O)[CH]5CC=CC[CH]35; c1cc(c(cc1C2=NN
    (C(=O)C3C2CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)
    OCCO; c1cc(c(cc1C2=NN(C(=O)[C@H]3[C@@H]2
    CC=CC3)C4CCCCCC4)OCCN5CCNC5=O)OCCO; OCCO
    c1ccc(cc1OCCN2CCNC2=O)C3=NN(C4CCCCCC4)C(
    =O)[C@@H]5CC=CC[C@H]35    		 (4~{a}~{S},8~{a}~{R})-2-cycloheptyl-4-[4-(2-hydroxyethyloxy)-3-[2-(2-oxidanylideneimidazolidin-1-yl)ethoxy]phenyl]-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one
    27447
    LLO
    ZINC000066157029    		 0 C12 H26 N2 O3 InChI=1S/C12H26N2O3/c1-9(
    8-12(2,3)17)14-7-5-4-6-10
    (13)11(15)16/h9-10,14,17H
    ,4-8,13H2,1-3H3,(H,15,16)
    /t9-,10-/m0/s1;
    DFHXLOGIWRRFER-UWVGGRQHSA-N    		 CC(CC(C)(C)O)NCCCCC(C(=O)O)N; C[C@@H](CC
    (C)(C)O)NCCCC[C@@H](C(=O)O)N; C[C@@H](CC
    (C)(C)O)NCCCC[C@H](N)C(O)=O; O=C(O)C(N)C
    CCCNC(CC(O)(C)C)C; C[CH](CC(C)(C)O)NCCCC
    [CH](N)C(O)=O    		 N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine;
    4-Hydroxy-4-Methyl-2-Pentanone
    27448
    LLP
    DB04083
    ZINC000034150380    		 16 C14 H22 N3 O7 P InChI=1S/C14H22N3O7P/c1-9
    -13(18)11(10(6-17-9)8-24-
    25(21,22)23)7-16-5-3-2-4-
    12(15)14(19)20/h6-7,12,18
    H,2-5,8,15H2,1H3,(H,19,20
    )(H2,21,22,23)/b16-7+/t12
    -/m0/s1;
    YQSOQJORMNSDJL-QFULYMJESA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NCCCC[CH](N)C(O
    )=O)c1O; n1c(C)c(O)c(\C=N\CCCCC(N)C(=O)O
    )c(c1)COP(=O)(O)O; Cc1c(c(c(cn1)COP(=O)(
    O)O)/C=N/CCCCC(C(=O)O)N)O; Cc1ncc(CO[P](
    O)(O)=O)c(C=NCCCC[C@H](N)C(O)=O)c1O; Cc1
    c(c(c(cn1)COP(=O)(O)O)C=NCCCCC(C(=O)O)N)
    O    		 (2S)-2-amino-6-[[3-hydroxy-2-methyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]hexanoic acid;
    N'-PYRIDOXYL-LYSINE-5'-MONOPHOSPHATE
    27449
    LLQ
    ZINC000001603749    		 8 C3 H8 O5 S InChI=1S/C3H8O5S/c4-1-3(5
    )2-9(6,7)8/h3-5H,1-2H2,(H
    ,6,7,8)/t3-/m0/s1;
    YPFUJZAAZJXMIP-VKHMYHEASA-N    		 C(C(CS(=O)(=O)O)O)O; C([C@@H](CS(=O)(=O)
    O)O)O; OC[C@H](O)C[S](O)(=O)=O; OC[CH](O
    )C[S](O)(=O)=O    		 (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid
    27450
    LLR    		 4 C12 H21 Br N4 S InChI=1S/C12H21BrN4S/c1-3
    -17(4-2)11-6-5-9(7-10(11)
    13)8-15-16-12(14)18/h5-7,
    12,15-16,18H,3-4,8,14H2,1
    -2H3/t12-/m0/s1;
    RUDWDGHIPWUJQP-LBPRGKRZSA-N    		 CCN(CC)c1ccc(cc1Br)CNNC(N)S; CCN(CC)c1cc
    c(CNN[C@H](N)S)cc1Br; CCN(CC)c1ccc(cc1Br
    )CNN[C@H](N)S; CCN(CC)c1ccc(CNN[CH](N)S)
    cc1Br    		 (~{S})-azanyl-[2-[[3-bromanyl-4-(diethylamino)phenyl]methyl]hydrazinyl]methanethiol
    27451
    LLS    		 1 C19 H12 Cl2 N4 O3 InChI=1S/C19H12Cl2N4O3/c1
    -8-13(16-9-4-2-3-5-10(9)1
    8(27)28-16)17(26)25(24-8)
    19-22-12-7-6-11(20)14(21)
    15(12)23-19/h2-7,16,26H,1
    H3,(H,22,23)/t16-/m0/s1;
    VIQXILLOJLATEF-INIZCTEOSA-N    		 Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O)[
    C@@H]4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[CH]2
    OC(=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4
    ; Cc1c(c(n(n1)c2[nH]c3ccc(c(c3n2)Cl)Cl)O
    )C4c5ccccc5C(=O)O4; Cc1nn(c(O)c1[C@H]2OC
    (=O)c3ccccc23)c4[nH]c5ccc(Cl)c(Cl)c5n4    		 (3~{S})-3-[1-[4,5-bis(chloranyl)-1~{H}-benzimidazol-2-yl]-3-methyl-5-oxidanyl-pyrazol-4-yl]-3~{H}-2-benzofuran-1-one
    27452
    LLT
    CHEMBL374731
    DB01265
    ZINC000000002159    		 3 C10 H14 N2 O5 InChI=1S/C10H14N2O5/c1-5-
    3-12(10(16)11-9(5)15)8-2-
    6(14)7(4-13)17-8/h3,6-8,1
    3-14H,2,4H2,1H3,(H,11,15,
    16)/t6-,7+,8+/m1/s1;
    IQFYYKKMVGJFEH-CSMHCCOUSA-N    		 CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)O; CC1=CN
    ([CH]2C[CH](O)[CH](CO)O2)C(=O)NC1=O; O=C
    1NC(=O)N(C=C1C)C2OC(C(O)C2)CO; CC1=CN([C
    @@H]2C[C@@H](O)[C@H](CO)O2)C(=O)NC1=O; C
    C1=CN(C(=O)NC1=O)[C@@H]2C[C@H]([C@@H](O2
    )CO)O    		 L-deoxythymidine;
    L-thymidine;
    beta-L-thymidine;
    L-dT;
    2'-deoxy-L-thymidine;
    1-(2-deoxy-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
    27453
    LLU
    ZINC000006678532    		 1 C9 H9 F O3 InChI=1S/C9H9FO3/c1-6(9(1
    1)12)13-8-5-3-2-4-7(8)10/
    h2-6H,1H3,(H,11,12)/t6-/m
    0/s1;
    MMWXPDDADHYFFS-LURJTMIESA-N    		 C[C@@H](C(=O)O)Oc1ccccc1F; CC(C(=O)O)Oc1
    ccccc1F; C[C@H](Oc1ccccc1F)C(O)=O; CC(Oc
    1ccccc1F)C(=O)O; C[CH](Oc1ccccc1F)C(O)=O    		 (2S)-2-(2-fluorophenoxy)propanoic acid
    27454
    LLV    		 2 C28 H24 Br F N2 O5 InChI=1S/C28H24BrFN2O5/c1
    -15(28(36)37)31-26(34)25(
    32-14-20-12-21(29)8-9-22(
    20)27(32)35)11-17-3-5-18(
    6-4-17)23-13-19(16(2)33)7
    -10-24(23)30/h3-10,12-13,
    15,25H,11,14H2,1-2H3,(H,3
    1,34)(H,36,37)/t15-,25-/m
    0/s1;
    OIZONSTWGHXIOF-MQNRADLISA-N    		 C[C@@H](C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2
    cc(ccc2F)C(=O)C)N3Cc4cc(ccc4C3=O)Br; C[C
    H](NC(=O)[CH](Cc1ccc(cc1)c2cc(ccc2F)C(C)
    =O)N3Cc4cc(Br)ccc4C3=O)C(O)=O; CC(C(=O)O
    )NC(=O)C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3
    Cc4cc(ccc4C3=O)Br; C[C@H](NC(=O)[C@H](Cc
    1ccc(cc1)c2cc(ccc2F)C(C)=O)N3Cc4cc(Br)cc
    c4C3=O)C(O)=O    		 (2S)-2-[[(2S)-2-(6-bromanyl-3-oxidanylidene-1H-isoindol-2-yl)-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]propanoyl]amino]propanoic acid
    27455
    LLX
    CHEMBL271741
    ZINC000029126954    		 3 C19 H16 N2 O InChI=1S/C19H16N2O/c20-17
    -12-11-16(14-7-3-1-4-8-14
    )13-18(17)21-19(22)15-9-5
    -2-6-10-15/h1-13H,20H2,(H
    ,21,22);
    ZWLFHHHQRUYIBT-UHFFFAOYSA-N    		 O=C(Nc1cc(ccc1N)c2ccccc2)c3ccccc3; Nc1cc
    c(cc1NC(=O)c2ccccc2)c3ccccc3; c1ccc(cc1)
    c2ccc(c(c2)NC(=O)c3ccccc3)N    		 N-(4-aminobiphenyl-3-yl)benzamide
    27456
    LLY
    DB01815
    ZINC000006360448    		 0 C9 H16 N2 O6 InChI=1S/C9H16N2O6/c10-5(
    7(12)13)3-1-2-4-11-6(8(14
    )15)9(16)17/h5-6,11H,1-4,
    10H2,(H,12,13)(H,14,15)(H
    ,16,17)/t5-/m0/s1;
    XINFXVVRMYBFMI-YFKPBYRVSA-N    		 C(CCNC(C(=O)O)C(=O)O)CC(C(=O)O)N; O=C(O)
    C(C(=O)O)NCCCCC(N)C(=O)O; N[C@@H](CCCCNC
    (C(O)=O)C(O)=O)C(O)=O; N[CH](CCCCNC(C(O)
    =O)C(O)=O)C(O)=O; C(CCNC(C(=O)O)C(=O)O)C
    [C@@H](C(=O)O)N    		 NZ-(DICARBOXYMETHYL)LYSINE
    27457
    LLZ
    ZINC000066157030    		 0 C21 H28 N2 O4 InChI=1S/C21H28N2O4/c1-14
    (23-10-4-3-5-19(22)21(25)
    26)11-20(24)17-7-6-16-13-
    18(27-2)9-8-15(16)12-17/h
    6-9,12-14,19,23H,3-5,10-1
    1,22H2,1-2H3,(H,25,26)/t1
    4-,19-/m0/s1;
    ITVGWHAQSRRMIM-LIRRHRJNSA-N    		 CC(CC(=O)c1ccc2cc(ccc2c1)OC)NCCCCC(C(=O)
    O)N; O=C(O)C(N)CCCCNC(C)CC(=O)c1ccc2c(c1
    )ccc(OC)c2; C[C@@H](CC(=O)c1ccc2cc(ccc2c
    1)OC)NCCCC[C@@H](C(=O)O)N; COc1ccc2cc(cc
    c2c1)C(=O)C[CH](C)NCCCC[CH](N)C(O)=O; CO
    c1ccc2cc(ccc2c1)C(=O)C[C@H](C)NCCCC[C@H]
    (N)C(O)=O    		 N~6~-[(1S)-3-(6-methoxynaphthalen-2-yl)-1-methyl-3-oxopropyl]-L-lysine
    27458
    LM0    		 1 C14 H17 N3 O3 InChI=1S/C14H17N3O3/c1-9(
    18)15-16-14(20)13-7-11-5-
    3-4-6-12(11)8-17(13)10(2)
    19/h3-6,13H,7-8H2,1-2H3,(
    H,15,18)(H,16,20)/t13-/m0
    /s1;
    SATVLGDJXZFYJA-ZDUSSCGKSA-N    		 CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C;
    CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C; CC(=O
    )NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O; CC(=O
    )NNC(=O)C1Cc2ccccc2CN1C(C)=O; CC(=O)NNC(
    =O)[CH]1Cc2ccccc2CN1C(C)=O    		 (3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
    27459
    LM2
    CHEMBL1234040
    ZINC000016051549    		 1 C19 H34 N2 O15 InChI=1S/C19H34N2O15/c1-3
    2-15-6(3-23)33-19(12(29)9
    (15)26)36-16-7(4-24)34-18
    (13(30)10(16)27)35-14-5(2
    -22)20-17(21-31)11(28)8(1
    4)25/h5-16,18-19,22-31H,2
    -4H2,1H3,(H,20,21)/t5-,6-
    ,7-,8-,9-,10-,11-,12-,13-
    ,14-,15-,16-,18-,19-/m1/s
    1;
    INFXBQXKGPGIEV-PXPLVWFRSA-N    		 CO[CH]1[CH](O)[CH](O)[CH](O[CH]1CO)O[CH]
    2[CH](O)[CH](O)[CH](O[CH]2CO)O[CH]3[CH](
    CO)NC(=NO)[CH](O)[CH]3O; O(C1C(O)C(O)C(=
    N\O)\NC1CO)C3OC(C(OC2OC(CO)C(OC)C(O)C2O)
    C(O)C3O)CO; COC1C(OC(C(C1O)O)OC2C(OC(C(C
    2O)O)OC3C(NC(=NO)C(C3O)O)CO)CO)CO; CO[C@
    H]1[C@H](O)[C@@H](O)[C@H](O[C@@H]1CO)O[C
    @H]2[C@H](O)[C@@H](O)[C@H](O[C@@H]2CO)O[
    C@@H]3[C@@H](CO)NC(=N\O)/[C@H](O)[C@H]3O
    ; CO[C@@H]1[C@H](O[C@@H]([C@@H]([C@H]1O)
    O)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O
    )O[C@@H]3[C@H](N/C(=N\O)/[C@@H]([C@H]3O)
    O)CO)CO)CO    		 4'-O-METHYL-MALTOSYL-ALPHA (1,4)-(Z, 3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-HYDROXYMETHYL-PIPERIDIN-2-ONE;
    4'-O-METHYL-MALTOSYL-ALPHA (1,4)-D-GLUCONHYDROXIMO-1,5-LACTAM
    27460
    LM3
    CHEMBL4646628
    ZINC000095921388    		 1 C21 H18 N4 InChI=1S/C21H18N4/c1-25(2
    )20-14-19(16-10-12-22-13-
    11-16)21(24-23-20)18-9-5-
    7-15-6-3-4-8-17(15)18/h3-
    14H,1-2H3;
    GEAPHVHHVPDTKQ-UHFFFAOYSA-N    		 CN(C)c1cc(c(nn1)c2cccc3c2cccc3)c4ccncc4;
    CN(C)c1cc(c2ccncc2)c(nn1)c3cccc4ccccc34
    ; n4ccc(c3cc(nnc3c1cccc2c1cccc2)N(C)C)cc
    4    		 N,N-dimethyl-6-(naphthalen-1-yl)-5-(pyridin-4-yl)pyridazin-3-amine
    27461
    LM4
    CHEMBL4648060
    ZINC000095921387    		 1 C21 H18 N4 InChI=1S/C21H18N4/c1-25(2
    )20-14-19(16-9-11-22-12-1
    0-16)21(24-23-20)18-8-7-1
    5-5-3-4-6-17(15)13-18/h3-
    14H,1-2H3;
    ODFGOBPLQKLCRM-UHFFFAOYSA-N    		 n4ccc(c3cc(nnc3c1ccc2c(c1)cccc2)N(C)C)cc
    4; CN(C)c1cc(c(nn1)c2ccc3ccccc3c2)c4ccnc
    c4; CN(C)c1cc(c2ccncc2)c(nn1)c3ccc4ccccc
    4c3    		 N,N-dimethyl-6-(naphthalen-2-yl)-5-(pyridin-4-yl)pyridazin-3-amine
    27462
    LM5
    ZINC000095920550    		 4 C13 H18 N2 O3 InChI=1S/C13H18N2O3/c1-8-
    11(16)12(17)10(15-8)13(18
    )14-7-9-5-3-2-4-6-9/h2-6,
    8,10-12,15-17H,7H2,1H3,(H
    ,14,18)/t8-,10+,11+,12-/m
    0/s1;
    RJAKCSBNEIOVPB-GMNPVEAJSA-N    		 C[CH]1N[CH]([CH](O)[CH]1O)C(=O)NCc2ccccc
    2; C[C@H]1[C@H]([C@H]([C@@H](N1)C(=O)NCc
    2ccccc2)O)O; CC1C(C(C(N1)C(=O)NCc2ccccc2
    )O)O; C[C@@H]1N[C@H]([C@H](O)[C@@H]1O)C(
    =O)NCc2ccccc2; O=C(NCc1ccccc1)C2NC(C)C(O
    )C2O    		 (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide
    27463
    LM6
    ZINC000000034156    		 1 C7 H13 N3 InChI=1S/C7H13N3/c1-3-10-
    7(6-8-2)4-5-9-10/h4-5,8H,
    3,6H2,1-2H3;
    IPBXAQNEXLMXRW-UHFFFAOYSA-N    		 CCn1c(ccn1)CNC; CCn1nccc1CNC 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine
    27464
    LM7    		 2 C14 H9 N3 O5 InChI=1S/C14H9N3O5/c18-12
    -6-5-8(7-11(12)17(21)22)1
    6-10-4-2-1-3-9(10)13(19)1
    5-14(16)20/h1-7,18H,(H,15
    ,19,20);
    YVQCKIRAVMSRGN-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)NC(=O)N2c3ccc(c(c3)[N+](
    =O)[O-])O; O=[N+]([O-])c1cc(ccc1O)N3c2cc
    ccc2C(NC3=O)=O; Oc1ccc(cc1[N+]([O-])=O)N
    2C(=O)NC(=O)c3ccccc23    		 1-(4-hydroxy-3-nitrophenyl)quinazoline-2,4(1H,3H)-dione
    27465
    LM8
    ZINC000215992109    		 4 C21 H34 O2 InChI=1S/C21H34O2/c1-3-4-
    5-11-14-17-20(2)18-15-12-
    9-7-6-8-10-13-16-19-21(22
    )23/h7-10,14-15,17-18,20H
    ,3-6,11-13,16,19H2,1-2H3,
    (H,22,23)/b9-7-,10-8-,17-
    14-,18-15-/t20-/m0/s1;
    PIZRMBAQQYSBSA-URRNNGNDSA-N    		 CCCCC/C=C\[C@H](C)/C=C\C/C=C\C/C=C\CCCC(
    =O)O; CCCCCC=C[CH](C)C=CCC=CCC=CCCCC(O)=
    O; CCCCCC=CC(C)C=CCC=CCC=CCCCC(=O)O; CCC
    CC\C=C/[C@H](C)/C=C\C\C=C/C\C=C/CCCC(O)=
    O; O=C(O)CCC\C=C/C\C=C/C\C=C/C(\C=C/CCCC
    C)C    		 (5Z,8Z,11Z,13S,14Z)-13-methylicosa-5,8,11,14-tetraenoic acid;
    (5Z,8Z,11Z,14Z)-13S-methyl-5,8,11,14-eicosatetraenoic acid
    27466
    LM9
    ZINC000000142524    		 1 C13 H8 Cl2 N4 O InChI=1S/C13H8Cl2N4O/c14-
    8-5-6-12(10(15)7-8)20-11-
    4-2-1-3-9(11)13-16-18-19-
    17-13/h1-7H,(H,16,17,18,1
    9);
    NUYWOTGHOXXCLV-UHFFFAOYSA-N    		 Clc1ccc(Oc2ccccc2c3n[nH]nn3)c(Cl)c1; c1c
    cc(c(c1)c2n[nH]nn2)Oc3ccc(cc3Cl)Cl; Clc1
    ccc(Oc2ccccc2c2n[NH]nn2)c(Cl)c1    		 (5P)-5-[2-(2,4-dichlorophenoxy)phenyl]-2H-tetrazole
    27467
    LMA
    ZINC000263620420    		 0 C43 H74 O15 InChI=1S/C43H74O15/c1-20-
    18-42(13,49)38(47)26(7)36
    (54-30(11)45)25(6)35(22(3
    )28(9)44)57-40(48)27(8)37
    (24(5)34(20)58-41-23(4)32
    (50-15)17-21(2)52-41)56-3
    3-19-43(14,51-16)39(29(10
    )53-33)55-31(12)46/h20-29
    ,32-37,39,41,44,49H,17-19
    H2,1-16H3/t20-,21+,22+,23
    +,24+,25-,26+,27+,28+,29-
    ,32-,33-,34-,35+,36-,37-,
    39+,41-,42-,43+/m0/s1;
    FIYJFVCGASKYLV-QDYGBMDYSA-N    		 CC1CC(C(C(O1)OC2C(CC(C(=O)C(C(C(C(OC(=O)
    C(C(C2C)OC3CC(C(C(O3)C)OC(=O)C)(C)OC)C)C
    (C)C(C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO[CH]
    1C[CH](C)O[CH](O[CH]2[CH](C)C[C](C)(O)C(
    =O)[CH](C)[CH](OC(C)=O)[CH](C)[CH](OC(=O
    )[CH](C)[CH](O[CH]3C[C](C)(OC)[CH](OC(C)
    =O)[CH](C)O3)[CH]2C)[CH](C)[CH](C)O)[CH]
    1C; O=C3OC(C(C)C(O)C)C(C)C(OC(=O)C)C(C(=
    O)C(O)(C)CC(C)C(OC1OC(C)CC(OC)C1C)C(C(OC
    2OC(C(OC(=O)C)C(OC)(C2)C)C)C3C)C)C; C[C@
    @H]1C[C@@H]([C@H]([C@@H](O1)O[C@H]2[C@H]
    (C[C@](C(=O)[C@@H]([C@H]([C@H]([C@H](OC(
    =O)[C@@H]([C@H]([C@@H]2C)O[C@H]3C[C@@]([
    C@@H]([C@@H](O3)C)OC(=O)C)(C)OC)C)[C@H](
    C)[C@@H](C)O)C)OC(=O)C)C)(C)O)C)C)OC; CO
    [C@H]1C[C@@H](C)O[C@@H](O[C@H]2[C@@H](C)
    C[C@](C)(O)C(=O)[C@H](C)[C@@H](OC(C)=O)[
    C@@H](C)[C@H](OC(=O)[C@H](C)[C@@H](O[C@H
    ]3C[C@@](C)(OC)[C@H](OC(C)=O)[C@H](C)O3)
    [C@@H]2C)[C@H](C)[C@@H](C)O)[C@@H]1C    		 Lankamycin;
    [(2S,3R,4R,6R)-6-[[(1S,2R,3S,4S,6S,8R,9S,10S,11R,14R)-9-acetyloxy-6-hydroxy-11-[(2R,3R)-3-hydroxybutan-2-yl]-3-[(2S,3R, 4S,6R)-4-methoxy-3,6-dimethyl-oxan-2-yl]oxy-2,4,6,8,10,14-hexamethyl-7,13-dioxo-12-oxacyclotetradec-1-yl]oxy]-4-methoxy- 2,4-dimethyl-oxan-3-yl] ethanoate
    27468
    LMB
    ZINC000098209119    		 5 C33 H52 O7 InChI=1S/C33H52O7/c1-9-28
    (14-15-29(34)24(5)13-16-3
    0(35)36)19-22(3)12-10-11-
    21(2)17-25(6)32(39)27(8)3
    3(40)26(7)18-23(4)20-31(3
    7)38/h10-11,14-15,17,19-2
    0,22,24-27,29,33-34,40H,9
    ,12-13,16,18H2,1-8H3,(H,3
    5,36)(H,37,38)/b11-10+,15
    -14+,21-17+,23-20+,28-19-
    /t22-,24+,25-,26+,27-,29+
    ,33-/m1/s1;
    GCBBLAVMGONVHO-XYERBDPFSA-N    		 O=C(O)CCC(C)C(O)/C=C/C(=C\C(C)C/C=C/C(=C
    /C(C(=O)C(C)C(O)C(C)CC(=C\C(=O)O)\C)C)C)
    CC; CCC(C=C[CH](O)[CH](C)CCC(O)=O)=C[CH]
    (C)CC=CC(C)=C[CH](C)C(=O)[CH](C)[CH](O)[
    CH](C)CC(C)=CC(O)=O; CCC(/C=C/[C@H](O)[C
    @@H](C)CCC(O)=O)=C/[C@H](C)C/C=C/C(C)=C/
    [C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)
    CC(/C)=C/C(O)=O; CCC(=CC(C)CC=CC(=CC(C)C
    (=O)C(C)C(C(C)CC(=CC(=O)O)C)O)C)C=CC(C(C
    )CCC(=O)O)O; CC/C(=C/[C@H](C)C/C=C/C(=C/
    [C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C
    /C(=C/C(=O)O)/C)O)/C)/C=C/[C@@H]([C@@H](
    C)CCC(=O)O)O    		 Leptomycin B, bound form
    27469
    LMC
    ZINC000058649899    		 4 C18 H21 N O InChI=1S/C18H21NO/c1-14(1
    2-13-20)8-7-11-17-18(2,3)
    15-9-5-6-10-16(15)19(17)4
    /h5-13H,1-4H3/b8-7+,14-12
    +,17-11+;
    UGINWNVBXWWHCS-RZZAMGAFSA-N    		 CN1c2ccccc2C(C)(C)/C1=C\C=C\C(/C)=C/C=O;
    C/C(=C\C=O)/C=C/C=C/1\C(c2ccccc2N1C)(C)
    C; O=C\C=C(\C=C\C=C2\N(c1ccccc1C2(C)C)C)
    C; CC(=CC=O)C=CC=C1C(c2ccccc2N1C)(C)C; C
    N1c2ccccc2C(C)(C)C1=CC=CC(C)=CC=O    		 (2E,4E,6E)-3-methyl-6-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)hexa-2,4-dienal;
    (2E,4E,6Z)-3-methyl-6-(1,3,3-trimethylindolin-2-ylidene)hexa-2,4-dienal
    27470
    LMD
    ZINC000098209120    		 19 C26 H50 O11 InChI=1S/C26H50O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-13-
    14-34-25-23(33)21(31)24(1
    8(16-28)36-25)37-26-22(32
    )20(30)19(29)17(15-27)35-
    26/h17-33H,2-16H2,1H3/t17
    -,18-,19-,20+,21-,22-,23-
    ,24-,25-,26-/m1/s1;
    UKPROSIGWJBJGA-IWODYCRQSA-N    		 CCCCCCCCCCCCCCOC1C(C(C(C(O1)CO)OC2C(C(C(
    C(O2)CO)O)O)O)O)O; CCCCCCCCCCCCCCO[C@H]1
    [C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2
    [C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)
    O; CCCCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H
    ](O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H
    ]2O)[C@H](O)[C@H]1O; O(CCCCCCCCCCCCCC)C2
    OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO; CC
    CCCCCCCCCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[
    CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH]1
    O    		 tetradecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside;
    n-Tetradecyl-b-D-maltopyranosid
    27471
    LME
    CHEMBL290744
    DB03810
    ZINC000001672629    		 0 C6 H11 N O4 InChI=1S/C6H11NO4/c1-3(2-
    4(8)9)5(7)6(10)11/h3,5H,2
    ,7H2,1H3,(H,8,9)(H,10,11)
    /t3-,5+/m1/s1;
    FHJNAFIJPFGZRI-WUJLRWPWSA-N    		 C[C@H](CC(=O)O)[C@@H](C(=O)O)N; C[CH](CC
    (O)=O)[CH](N)C(O)=O; CC(CC(=O)O)C(C(=O)O
    )N; O=C(O)C(N)C(CC(=O)O)C; C[C@H](CC(O)=
    O)[C@H](N)C(O)=O    		 (2S,3R)-2-azanyl-3-methyl-pentanedioic acid;
    (3R)-3-methyl-L-glutamic acid
    27472
    LMF    		 0 C8 H17 N3 O2 S InChI=1S/C8H17N3O2S/c1-10
    -8(14)11-5-3-2-4-6(9)7(12
    )13/h6H,2-5,9H2,1H3,(H,12
    ,13)(H2,10,11,14);
    ZRPGWKQIWAUACK-UHFFFAOYSA-N    		 CNC(=S)NCCCCC(N)C(O)=O; CNC(=S)NCCCCC(C(
    =O)O)N; CNC(=S)NCCCC[C@@H](C(=O)O)N    		 NZ(N-METHYL THIOFORMAMIDE) LYSINE
    27473
    LMG
    ZINC000085591647    		 0 C45 H86 O10 InChI=1S/C45H86O10/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-31-33-40(47)52-
    36-38(37-53-45-44(51)43(5
    0)42(49)39(35-46)55-45)54
    -41(48)34-32-30-28-26-24-
    22-20-18-16-14-12-10-8-6-
    4-2/h38-39,42-46,49-51H,3
    -37H2,1-2H3/t38-,39-,42+,
    43+,44-,45-/m1/s1;
    DCLTVZLYPPIIID-CVELTQQQSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OCC(COC1C(C(C(C(O1
    )CO)O)O)O)OC(=O)CCCCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCCCC(=O)OC[CH](CO[CH]1O[CH](CO)
    [CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCCCCCCC
    CCCC; O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)CO
    C1OC(C(O)C(O)C1O)CO)CCCCCCCCCCCCCCCCC; C
    CCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[C@H]1[C@
    @H]([C@H]([C@H]([C@H](O1)CO)O)O)O)OC(=O)
    CCCCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCCCC(=O
    )OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H
    ](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCCCC    		 1,2-DISTEAROYL-MONOGALACTOSYL-DIGLYCERIDE
    27474
    LMH    		 2 C31 H55 O9 P InChI=1S/C31H55O9P/c1-22(
    2)11-7-12-23(3)13-8-14-24
    (4)15-9-16-25(5)17-10-18-
    26(6)19-20-38-41(36,37)40
    -31-30(35)29(34)28(33)27(
    21-32)39-31/h11,13,15,17,
    26-35H,7-10,12,14,16,18-2
    1H2,1-6H3,(H,36,37)/b23-1
    3+,24-15-,25-17-/t26-,27+
    ,28+,29-,30+,31-/m0/s1;
    AGLXCEGQRIYVRV-HAYNYTLHSA-N    		 CC(CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)CCO
    P(=O)(O)OC1C(C(C(C(O1)CO)O)O)O; C[CH](CC
    O[P](O)(=O)O[CH]1O[CH](CO)[CH](O)[CH](O)
    [CH]1O)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C
    ; C[C@H](CCO[P](O)(=O)O[C@@H]1O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]1O)CC\C=C(C)/CC\C=
    C(C)/CC\C=C(C)\CCC=C(C)C; C[C@@H](CC/C=C
    (/C)\CC/C=C(/C)\CC/C=C(\C)/CCC=C(C)C)CCO
    P(=O)(O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O)O)O    		 glucosyl-dolichol phosphate
    27475
    LMI
    ZINC000408515053    		 1 C16 H23 N3 O5 InChI=1S/C16H23N3O5/c1-16
    (2,3)24-15(22)17-9-8-13(2
    0)18-10-11-4-6-12(7-5-11)
    14(21)19-23/h4-7,23H,8-10
    H2,1-3H3,(H,17,22)(H,18,2
    0)(H,19,21);
    XZBWQLIYDNHHJF-UHFFFAOYSA-N    		 CC(C)(C)OC(=O)NCCC(=O)NCc1ccc(cc1)C(=O)N
    O    		 tert-butyl N-[3-[[4-(oxidanylcarbamoyl)phenyl]methylamino]-3-oxidanylidene-propyl]carbamate
    27476
    LMJ    		 1 C21 H23 Br Cl N3 O InChI=1S/C21H23BrClN3O/c1
    -19(2)16-9-21-4-3-5-26(21
    )10-20(16,25-18(21)27)8-1
    2-11-6-14(23)13(22)7-15(1
    1)24-17(12)19/h6-7,16,24H
    ,3-5,8-10H2,1-2H3,(H,25,2
    7)/t16-,20+,21-/m0/s1;
    HGDDRCCRXJDDLU-DQLDELGASA-N    		 CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)CC45C1CC6(
    CCCN6C4)C(=O)N5)C; CC1(C)[CH]2C[C]34CCCN
    3C[C]2(Cc5c1[nH]c6cc(Br)c(Cl)cc56)NC4=O;
    CC1(C)[C@@H]2C[C@]34CCCN3C[C@@]2(Cc5c1[
    nH]c6cc(Br)c(Cl)cc56)NC4=O; C5(C)(C1CC32
    C(NC1(CN2CCC3)Cc6c4c(cc(c(c4)Cl)Br)nc56)
    =O)C; CC1(c2c(c3cc(c(cc3[nH]2)Br)Cl)C[C@
    ]45[C@H]1C[C@@]6(CCCN6C4)C(=O)N5)C    		 (5aS,12aS,13aS)-9-bromo-8-chloro-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7 ,6-b]carbazol-14-one;
    isomalbrancheamide D
    27477
    LMK    		 22 C46 H94 N O7 InChI=1S/C46H93NO7/c1-6-8
    -10-12-14-16-18-20-22-24-
    26-28-30-32-34-36-44(48)5
    3-41-42(40-52-39-38-43(46
    (50)51)47(3,4)5)54-45(49)
    37-35-33-31-29-27-25-23-2
    1-19-17-15-13-11-9-7-2/h4
    2-45,48-49H,6-41H2,1-5H3/
    p+1/t42-,43+,44+,45-/m0/s
    1;
    BUXLRCGOLVGJEI-LHQLQFMZSA-O    		 CCCCCCCCCCCCCCCCC[CH](O)OC[CH](COCC[CH](
    C(O)=O)[N+](C)(C)C)O[CH](O)CCCCCCCCCCCCC
    CCCC; CCCCCCCCCCCCCCCCCC(O)OCC(COCCC(C(=
    O)O)[N+](C)(C)C)OC(CCCCCCCCCCCCCCCCC)O;
    CCCCCCCCCCCCCCCCC[C@H](O)OC[C@H](COCC[C@
    H](C(=O)O)[N+](C)(C)C)O[C@@H](CCCCCCCCCC
    CCCCCCC)O; CCCCCCCCCCCCCCCCC[C@H](O)OC[C
    @H](COCC[C@H](C(O)=O)[N+](C)(C)C)O[C@H](
    O)CCCCCCCCCCCCCCCCC    		 trimethyl-[(2~{R})-1-oxidanyl-1-oxidanylidene-4-[(2~{S})-2-[(1~{S})-1-oxidanyloctadecoxy]-3-[(1~{R})-1-oxidanyloctadecoxy]propoxy]butan-2-yl]azanium
    27478
    LML
    ZINC000001716647    		 1 C7 H12 O4 InChI=1S/C7H12O4/c1-4(2)3
    -5(6(8)9)7(10)11/h4-5H,3H
    2,1-2H3,(H,8,9)(H,10,11);
    FTKIARCSSZWRFJ-UHFFFAOYSA-N    		 CC(C)CC(C(O)=O)C(O)=O; CC(C)CC(C(=O)O)C(
    =O)O; O=C(O)C(C(=O)O)CC(C)C    		 ISOBUTYL MALONIC ACID
    27479
    LMM
    CHEMBL3116056
    ZINC000095921166    		 2 C17 H17 F N8 S InChI=1S/C17H17FN8S/c1-9-
    7-27-14-13(9)24-17(22-10(
    2)15-19-4-11(18)5-20-15)2
    5-16(14)23-12-6-26(3)8-21
    -12/h4-8,10H,1-3H3,(H2,22
    ,23,24,25)/t10-/m0/s1;
    DVWTWOHVDUVPJV-JTQLQIEISA-N    		 C[C@H](Nc1nc(Nc2cn(C)cn2)c3scc(C)c3n1)c4
    ncc(F)cn4; Cc1csc2c1nc(nc2Nc3cn(cn3)C)NC
    (C)c4ncc(cn4)F; Fc1cnc(nc1)C(Nc2nc(c3scc
    (c3n2)C)Nc4ncn(c4)C)C; C[CH](Nc1nc(Nc2cn
    (C)cn2)c3scc(C)c3n1)c4ncc(F)cn4; Cc1csc2
    c1nc(nc2Nc3cn(cn3)C)N[C@@H](C)c4ncc(cn4)
    F    		 N2-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-7-methyl-N4-(1-methylimidazol-4-yl)thieno[3,2-d]pyrimidine-2,4-diamine
    27480
    LMN    		 136 C47 H88 O22 InChI=1S/C47H88O22/c1-3-5
    -7-9-11-13-15-17-19-47(20
    -18-16-14-12-10-8-6-4-2,2
    5-62-43-39(60)35(56)41(29
    (23-50)66-43)68-45-37(58)
    33(54)31(52)27(21-48)64-4
    5)26-63-44-40(61)36(57)42
    (30(24-51)67-44)69-46-38(
    59)34(55)32(53)28(22-49)6
    5-46/h27-46,48-61H,3-26H2
    ,1-2H3/t27-,28-,29-,30-,3
    1-,32-,33+,34+,35-,36-,37
    -,38-,39-,40+,41-,42-,43-
    ,44-,45-,46-/m0/s1;
    MADJBYLAYPCCOO-XYPZXBMFSA-N    		 O(CC(CCCCCCCCCC)(CCCCCCCCCC)COC2OC(CO)C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)C4OC(C(OC3O
    C(CO)C(O)C(O)C3O)C(O)C4O)CO; CCCCCCCCCCC
    (CCCCCCCCCC)(CO[CH]1O[CH](CO)[CH](O[CH]2
    O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH
    ]1O)CO[CH]3O[CH](CO)[CH](O[CH]4O[CH](CO)
    [CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O; CCCC
    CCCCCCC(CCCCCCCCCC)(CO[C@H]1O[C@@H](CO)[
    C@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O
    )[C@@H]2O)[C@@H](O)[C@@H]1O)CO[C@H]3O[C@
    @H](CO)[C@H](O[C@@H]4O[C@@H](CO)[C@H](O)
    [C@@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; CCCC
    CCCCCCC(CCCCCCCCCC)(COC1C(C(C(C(O1)CO)OC
    2C(C(C(C(O2)CO)O)O)O)O)O)COC3C(C(C(C(O3)
    CO)OC4C(C(C(C(O4)CO)O)O)O)O)O; CCCCCCCCC
    CC(CCCCCCCCCC)(CO[C@@H]1[C@@H]([C@@H]([C
    @H]([C@@H](O1)CO)O[C@H]2[C@H]([C@@H]([C@
    H]([C@@H](O2)CO)O)O)O)O)O)CO[C@@H]3[C@H]
    ([C@@H]([C@H]([C@@H](O3)CO)O[C@H]4[C@H](
    [C@@H]([C@H]([C@@H](O4)CO)O)O)O)O)O    		 Lauryl Maltose Neopentyl Glycol;
    2,2-didecylpropane-1,3-bis-b-D-maltopyranoside
    27481
    LMO    		 2 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(30)20(29)18(27)16(3
    5-23)14-33-24-22(31)19(28
    )17(26)15(13-25)34-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17+,18-,19+,20+,21-,22-,2
    3-,24+/m1/s1;
    HBVAWIPMNSJELA-RWNQQKCBSA-N    		 CCCCCCCCCCCCOC1C(C(C(C(O1)COC2C(C(C(C(O2
    )CO)O)O)O)O)O)O; CCCCCCCCCCCCO[CH]1O[CH]
    (CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[C
    H](O)[CH](O)[CH]1O; C(OC1C(C(C(C(CO)O1)O
    )O)O)C2C(C(O)C(C(O2)OCCCCCCCCCCCC)O)O; C
    CCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C
    @H](O1)CO[C@@H]2[C@@H]([C@H]([C@H]([C@H]
    (O2)CO)O)O)O)O)O)O; CCCCCCCCCCCCO[C@@H]1
    O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O
    )[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O    		 dodecyl 6-O-alpha-D-galactopyranosyl-beta-D-glucopyranoside;
    DDMB;
    dodecyl melibioside
    27482
    LMP
    ZINC000034104691    		 11 C17 H27 N3 O6 S InChI=1S/C17H27N3O6S/c1-7
    -12(11(8(2)21)16(23)24)19
    -13(17(25)26)14(7)27-9-5-
    10(18-6-9)15(22)20(3)4/h7
    -12,14,18,21H,5-6H2,1-4H3
    ,(H,23,24)(H,25,26)/t7-,8
    -,9+,10+,11-,12-,14+/m1/s
    1;
    CDYPSIIDXKMBLV-CFINEGTKSA-N    		 CC1C(C(=NC1C(C(C)O)C(=O)O)C(=O)O)SC2CC(N
    C2)C(=O)N(C)C; C[C@@H](O)[C@H]([C@@H]1N=
    C([C@@H](S[C@@H]2CN[C@@H](C2)C(=O)N(C)C)
    [C@@H]1C)C(O)=O)C(O)=O; C[CH](O)[CH]([CH
    ]1N=C([CH](S[CH]2CN[CH](C2)C(=O)N(C)C)[C
    H]1C)C(O)=O)C(O)=O; C[C@H]1[C@@H](C(=N[C
    @H]1[C@@H]([C@@H](C)O)C(=O)O)C(=O)O)S[C@
    H]2C[C@H](NC2)C(=O)N(C)C    		 (2~{S},3~{R},4~{S})-2-[(2~{S},3~{R})-1,3-bis(oxidanyl)-1-oxidanylidene-butan-2-yl]-4-[(3~{S},5~{S})-5-(dimethylcarbamoy l)pyrrolidin-3-yl]sulfanyl-3-methyl-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid;
    Hydrolyzed Meropenem
    27483
    LMQ    		 0 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-3(2
    -4(7)9)5(8)6(10)11/h3,5H,
    2,8H2,1H3,(H2,7,9)(H,10,1
    1)/t3-,5-/m0/s1;
    RWBLYSWJMSKZAL-UCORVYFPSA-N    		 C[C@@H](CC(=O)N)[C@@H](C(=O)O)N; C[CH](C
    C(N)=O)[CH](N)C(O)=O; C[C@@H](CC(N)=O)[C
    @H](N)C(O)=O; CC(CC(=O)N)C(C(=O)O)N; O=C
    (N)CC(C)C(N)C(=O)O    		 (3S)-3-methyl-L-glutamine;
    beta-methylglutamine
    27484
    LMR
    CHEMBL1234046
    ZINC000000895074    		 20 C4 H6 O5 InChI=1S/C4H6O5/c5-2(4(8)
    9)1-3(6)7/h2,5H,1H2,(H,6,
    7)(H,8,9)/t2-/m0/s1;
    BJEPYKJPYRNKOW-REOHCLBHSA-N    		 O[CH](CC(O)=O)C(O)=O; C(C(C(=O)O)O)C(=O)
    O; O[C@@H](CC(O)=O)C(O)=O; C([C@@H](C(=O
    )O)O)C(=O)O; O=C(O)CC(O)C(=O)O    		 (2S)-2-hydroxybutanedioic acid;
    L-Malate
    27485
    LMS
    CHEMBL471144
    DB02916    		 15 C10 H14 N6 O6 S InChI=1S/C10H14N6O6S/c11-
    8-5-9(14-2-13-8)16(3-15-5
    )10-7(18)6(17)4(22-10)1-2
    1-23(12,19)20/h2-4,6-7,10
    ,17-18H,1H2,(H2,11,13,14)
    (H2,12,19,20)/t4-,6-,7-,1
    0-/m1/s1;
    GNZLUJQJDPRUTD-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)COS(=O)(=O)N)O)O)N; Nc1ncnc2n(cnc
    12)[CH]3O[CH](CO[S](N)(=O)=O)[CH](O)[CH]
    3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](
    N)(=O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n1)n
    (cn2)C3C(C(C(O3)COS(=O)(=O)N)O)O)N; O=S(
    =O)(OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)N    		 [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDRO-2-FURANYL]METHYL SULFAMATE
    27486
    LMT
    CHEMBL1234047
    ZINC000016051829    		 0 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(31)19(29)22(16(14-2
    6)34-23)35-24-20(30)18(28
    )17(27)15(13-25)33-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17-,18+,19-,20-,21-,22-,2
    3-,24-/m1/s1;
    NLEBIOOXCVAHBD-QKMCSOCLSA-N    		 CCCCCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O[C
    @H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[
    C@H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O
    1)CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCC
    CCCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)
    [CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCC
    CCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)O)O; O(CCCCCCCCCCCC)C2OC(C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO    		 DODECYL-BETA-D-MALTOSIDE
    27487
    LMU
    CHEMBL1234048
    DB03279
    ZINC000014253923    		 0 C24 H46 O11 InChI=1S/C24H46O11/c1-2-3
    -4-5-6-7-8-9-10-11-12-32-
    23-21(31)19(29)22(16(14-2
    6)34-23)35-24-20(30)18(28
    )17(27)15(13-25)33-24/h15
    -31H,2-14H2,1H3/t15-,16-,
    17-,18+,19-,20-,21-,22-,2
    3+,24-/m1/s1;
    NLEBIOOXCVAHBD-YHBSTRCHSA-N    		 CCCCCCCCCCCCO[C@H]1O[C@H](CO)[C@@H](O[C@
    H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C
    @H](O)[C@H]1O; CCCCCCCCCCCCOC1C(C(C(C(O1
    )CO)OC2C(C(C(C(O2)CO)O)O)O)O)O; CCCCCCCC
    CCCCO[CH]1O[CH](CO)[CH](O[CH]2O[CH](CO)[
    CH](O)[CH](O)[CH]2O)[CH](O)[CH]1O; CCCCC
    CCCCCCCO[C@@H]1[C@@H]([C@H]([C@@H]([C@H]
    (O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H]
    (O2)CO)O)O)O)O)O; O(CCCCCCCCCCCC)C2OC(C(
    OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO    		 DODECYL-ALPHA-D-MALTOSIDE
    27488
    LMV    		 2 C24 H28 Cl2 N2 O4 S InChI=1S/C24H28Cl2N2O4S/c
    1-15(2)14-33(30,31)27-24(
    29)17-6-9-22-21(10-17)28(
    12-16-4-3-5-16)13-23(32-2
    2)19-8-7-18(25)11-20(19)2
    6/h6-11,15-16,23H,3-5,12-
    14H2,1-2H3,(H,27,29)/t23-
    /m1/s1;
    UHSJMFUMFQAOOO-HSZRJFAPSA-N    		 CC(C)CS(=O)(=O)NC(=O)c1ccc2c(c1)N(CC(O2)
    c3ccc(cc3Cl)Cl)CC4CCC4; CC(C)C[S](=O)(=O
    )NC(=O)c1ccc2O[CH](CN(CC3CCC3)c2c1)c4ccc
    (Cl)cc4Cl; CC(C)CS(=O)(=O)NC(=O)c1ccc2c(
    c1)N(C[C@@H](O2)c3ccc(cc3Cl)Cl)CC4CCC4;
    CC(C)C[S](=O)(=O)NC(=O)c1ccc2O[C@H](CN(C
    C3CCC3)c2c1)c4ccc(Cl)cc4Cl    		 (2~{S})-4-(cyclobutylmethyl)-2-(2,4-dichlorophenyl)-~{N}-(2-methylpropylsulfonyl)-2,3-dihydro-1,4-benzoxazine-6-carboxamide
    27489
    LMW
    ZINC000000404661    		 2 C10 H16 N2 O InChI=1S/C10H16N2O/c1-2-1
    2(7-8-13)10-5-3-9(11)4-6-
    10/h3-6,13H,2,7-8,11H2,1H
    3;
    WFXLRLQSHRNHCE-UHFFFAOYSA-N    		 CCN(CCO)c1ccc(N)cc1; CCN(CCO)c1ccc(cc1)N 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol
    27490
    LMY    		 1 C32 H35 F3 N8 O S InChI=1S/C32H35F3N8OS/c1-
    19-20(3-4-26-24(19)9-22(1
    2-36)43(26)17-30-14-31(15
    -30,16-30)38-18-44)13-42-
    7-5-21(6-8-42)39-27-25-10
    -23(11-32(33,34)35)45-28(
    25)41-29(37-2)40-27/h3-4,
    9-10,18,21H,5-8,11,13-17H
    2,1-2H3,(H,38,44)(H2,37,3
    9,40,41)/t30-,31+;
    MBFYNGBMAACLAT-QRRGNZNSSA-N    		 Cc1c(ccc2c1cc(n2CC34CC(C3)(C4)NC=O)C#N)C
    N5CCC(CC5)Nc6c7cc(sc7nc(n6)NC)CC(F)(F)F;
    CNc1nc(NC2CCN(CC2)Cc3ccc4n(CC56CC(C5)(C
    6)NC=O)c(cc4c3C)C#N)c7cc(CC(F)(F)F)sc7n1    		 ~{N}-[3-[[2-cyano-4-methyl-5-[[4-[[2-(methylamino)-6-[2,2,2-tris(fluoranyl)ethyl]thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]indol-1-yl]methyl]-1-bicyclo[1.1.1]pentanyl]methanamide
    27491
    LMZ
    DB04128
    ZINC000003871157    		 70 C9 H14 N4 O7 InChI=1S/C9H14N4O7/c14-2-
    4(16)6(17)3(15)1-10-7-5(1
    3-20)8(18)12-9(19)11-7/h3
    -4,6,14-17H,1-2H2,(H3,10,
    11,12,18,19)/t3-,4+,6-/m0
    /s1;
    YMWIHKCBRFEJMH-RPDRRWSUSA-N    		 OC[CH](O)[CH](O)[CH](O)CNC1=C(N=O)C(=O)N
    C(=O)N1; O=C1NC(NCC(O)C(O)C(O)CO)=C(N=O)
    C(=O)N1; C([C@@H]([C@@H]([C@@H](CO)O)O)O
    )NC1=C(C(=O)NC(=O)N1)N=O; OC[C@@H](O)[C@
    @H](O)[C@@H](O)CNC1=C(N=O)C(=O)NC(=O)N1;
    C(C(C(C(CO)O)O)O)NC1=C(C(=O)NC(=O)N1)N=
    O    		 5-NITROSO-6-RIBITYL-AMINO-2,4(1H,3H)-PYRIMIDINEDIONE
    27492
    LN0
    ZINC000095921191    		 0 C18 H32 N2 O6 S InChI=1S/C18H32N2O6S/c1-5
    -6-10-7-11(20(3)8-10)17(2
    5)19-12(9(2)21)16-14(23)1
    3(22)15(24)18(26-16)27-4/
    h10-16,18,22-24H,5-8H2,1-
    4H3,(H,19,25)/t10-,11+,12
    -,13+,14-,15-,16-,18-/m1/
    s1;
    YZRHYYDECCEWRG-DWVYNAINSA-N    		 CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@@H]([C@
    H]2O[C@H](SC)[C@H](O)[C@@H](O)[C@H]2O)C(
    C)=O; CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@
    H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)S
    C)O)O)O)C(=O)C; CCCC1CC(N(C1)C)C(=O)NC(C
    2C(C(C(C(O2)SC)O)O)O)C(=O)C; CCC[CH]1C[C
    H](N(C)C1)C(=O)N[CH]([CH]2O[CH](SC)[CH](
    O)[CH](O)[CH]2O)C(C)=O; O=C(C)C(NC(=O)C1
    N(C)CC(CCC)C1)C2OC(SC)C(O)C(O)C2O    		 methyl 6,8-dideoxy-6-{[(4R)-1-methyl-4-propyl-L-prolyl]amino}-1-thio-D-glycero-alpha-D-galacto-octopyranosid-7-ulose;
    lincomycin, oxidized form
    27493
    LN1
    DB08116
    ZINC000058639150    		 1 C22 H22 N2 O9 S InChI=1S/C22H22N2O9S/c1-2
    2(34(31)32,12-33-18(28)9-
    13-5-6-16(26)17(27)8-13)1
    9(21(29)30)23-20-14(11-25
    )10-15-4-2-3-7-24(15)20/h
    2-8,10-11,19,23,26-27H,9,
    12H2,1H3,(H,29,30)(H,31,3
    2)/t19-,22-/m0/s1;
    DEOZLEGRVHDNKC-UGKGYDQZSA-N    		 C[C](COC(=O)Cc1ccc(O)c(O)c1)([CH](Nc2n3c
    cccc3cc2C=O)C(O)=O)[S](O)=O; C[C@](COC(=
    O)Cc1ccc(c(c1)O)O)([C@H](C(=O)O)Nc2c(cc3
    n2cccc3)C=O)[S@@](=O)O; O=C(OCC(S(=O)O)(
    C)C(C(=O)O)Nc2c(cc1ccccn12)C=O)Cc3ccc(O)
    c(O)c3; CC(COC(=O)Cc1ccc(c(c1)O)O)(C(C(=
    O)O)Nc2c(cc3n2cccc3)C=O)S(=O)O; C[C@](CO
    C(=O)Cc1ccc(O)c(O)c1)([C@@H](Nc2n3ccccc3
    cc2C=O)C(O)=O)[S@](O)=O    		 (3R)-4-{[(3,4-dihydroxyphenyl)acetyl]oxy}-N-(2-formylindolizin-3-yl)-3-sulfino-D-valine
    27494
    LN2    		 2 C28 H25 F N2 O5 InChI=1S/C28H25FN2O5/c1-1
    6(28(35)36)30-26(33)25(31
    -15-21-5-3-4-6-22(21)27(3
    1)34)13-18-7-9-19(10-8-18
    )23-14-20(17(2)32)11-12-2
    4(23)29/h3-12,14,16,25H,1
    3,15H2,1-2H3,(H,30,33)(H,
    35,36)/t16-,25-/m0/s1;
    TXGHAFIFHKHLOM-LMKMVOKYSA-N    		 C[C@H](NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F
    )C(C)=O)N3Cc4ccccc4C3=O)C(O)=O; C[C@@H](
    C(=O)O)NC(=O)[C@H](Cc1ccc(cc1)c2cc(ccc2F
    )C(=O)C)N3Cc4ccccc4C3=O; CC(C(=O)O)NC(=O
    )C(Cc1ccc(cc1)c2cc(ccc2F)C(=O)C)N3Cc4ccc
    cc4C3=O; C[CH](NC(=O)[CH](Cc1ccc(cc1)c2c
    c(ccc2F)C(C)=O)N3Cc4ccccc4C3=O)C(O)=O    		 (2~{S})-2-[[(2~{S})-3-[4-(5-ethanoyl-2-fluoranyl-phenyl)phenyl]-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanoyl]amino]propanoic acid
    27495
    LN3    		 2 C40 H52 N6 O17 S InChI=1S/C40H52N6O17S/c47
    -29(42-25(18-32(50)51)36(
    58)43-26(19-33(52)53)37(5
    9)44-27(39(62)63)20-34(54
    )55)10-8-6-4-2-1-3-5-7-9-
    17-46(22-35(56)57)31(49)1
    6-15-30(48)45-40-41-21-28
    (64-40)23-11-13-24(14-12-
    23)38(60)61/h11-14,21,25-
    27H,1-10,15-20,22H2,(H,42
    ,47)(H,43,58)(H,44,59)(H,
    50,51)(H,52,53)(H,54,55)(
    H,56,57)(H,60,61)(H,62,63
    )(H,41,45,48)/t25-,26-,27
    -/m0/s1;
    GSTABKNLIUJVNF-QKDODKLFSA-N    		 c1cc(ccc1c2cnc(s2)NC(=O)CCC(=O)N(CCCCCCC
    CCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC
    (=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)CC(=O)
    O)C(=O)O; OC(=O)C[C@H](NC(=O)[C@H](CC(O)
    =O)NC(=O)[C@H](CC(O)=O)NC(=O)CCCCCCCCCCC
    N(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2ccc(cc
    2)C(O)=O)C(O)=O; OC(=O)C[CH](NC(=O)[CH](
    CC(O)=O)NC(=O)[CH](CC(O)=O)NC(=O)CCCCCCC
    CCCCN(CC(O)=O)C(=O)CCC(=O)Nc1sc(cn1)c2cc
    c(cc2)C(O)=O)C(O)=O; c1cc(ccc1c2cnc(s2)N
    C(=O)CCC(=O)N(CCCCCCCCCCCC(=O)NC(CC(=O)O
    )C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)O)
    CC(=O)O)C(=O)O    		 (2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[12-[[4-[[5-(4-carboxyphenyl)-1,3-thiazol-2-yl]amino]-4-oxidanylidene-butanoyl]-(2-hydroxy-2-oxoethyl)amino]dodecanoylamino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]amino]butanedioic acid
    27496
    LN4
    CHEMBL189354
    ZINC000014945139    		 1 C25 H21 F4 N7 O3 S InChI=1S/C25H21F4N7O3S/c1
    -36(22-11-12-31-23(35-22)
    32-17-3-2-4-19(14-17)40(3
    0,38)39)18-8-6-16(7-9-18)
    33-24(37)34-21-13-15(25(2
    7,28)29)5-10-20(21)26/h2-
    14H,1H3,(H2,30,38,39)(H,3
    1,32,35)(H2,33,34,37);
    PPTQWMQTXBVAHT-UHFFFAOYSA-N    		 CN(c1ccc(cc1)NC(=O)Nc2cc(ccc2F)C(F)(F)F)
    c3ccnc(n3)Nc4cccc(c4)S(=O)(=O)N; CN(c1cc
    c(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1)c3ccnc(
    Nc4cccc(c4)[S](N)(=O)=O)n3    		 1-[2-fluoranyl-5-(trifluoromethyl)phenyl]-3-[4-[methyl-[2-[(3-sulfamoylphenyl)amino]pyrimidin-4-yl]amino]phenyl]urea
    27497
    LN5
    CHEMBL507472
    ZINC000040380536    		 2 C8 H17 N3 O2 InChI=1S/C8H17N3O2/c1-2-7
    (10)11-5-3-4-6(9)8(12)13/
    h6H,2-5,9H2,1H3,(H2,10,11
    )(H,12,13)/t6-/m0/s1;
    ZYIBCZWVLDODOL-LURJTMIESA-N    		 [H]N=C(CC)NCCCC(C(=O)O)N; CCC(=N)NCCC[C@
    H](N)C(O)=O; [H]/N=C(/CC)\NCCC[C@@H](C(=
    O)O)N; O=C(O)C(N)CCCNC(=[N@H])CC; CCC(=N
    )NCCC[CH](N)C(O)=O    		 N5-(1-iminopropyl)-L-ornithine;
    (2S)-2-azanyl-5-(propanimidoylamino)pentanoic acid
    27498
    LN6
    ZINC000038812736    		 2 C10 H21 N3 O2 InChI=1S/C10H21N3O2/c1-2-
    3-6-9(12)13-7-4-5-8(11)10
    (14)15/h8H,2-7,11H2,1H3,(
    H2,12,13)(H,14,15)/t8-/m0
    /s1;
    YJYNJYPKPDAGPU-QMMMGPOBSA-N    		 CCCCC(=N)NCCC[C@H](N)C(O)=O; O=C(O)C(N)C
    CCNC(=[N@H])CCCC; CCCCC(=N)NCCC[CH](N)C(
    O)=O; CCCCC(=N)NCCCC(C(=O)O)N; [H]/N=C(\
    CCCC)/NCCC[C@@H](C(=O)O)N    		 N~5~-[(1E)-pentanimidoyl]-L-ornithine;
    N5-(1-iminopentyl)-L-ornithine
    27499
    LN7
    ZINC000058649375    		 2 C10 H23 N3 O2 InChI=1S/C10H23N3O2/c1-2-
    3-6-9(12)13-7-4-5-8(11)10
    (14)15/h8-9,13H,2-7,11-12
    H2,1H3,(H,14,15)/t8-,9-/m
    0/s1;
    RLYDQIKERMGUOF-IUCAKERBSA-N    		 CCCC[CH](N)NCCC[CH](N)C(O)=O; O=C(O)C(N)
    CCCNC(N)CCCC; CCCCC(N)NCCCC(C(=O)O)N; CC
    CC[C@@H](N)NCCC[C@@H](C(=O)O)N; CCCC[C@@
    H](N)NCCC[C@H](N)C(O)=O    		 N~5~-[(1S)-1-aminopentyl]-L-ornithine
    27500
    LN8    		 0 C6 H14 Cl2 N2 Pt InChI=1S/C6H14N2.2ClH.Pt/
    c7-5-1-2-6(8)4-3-5;;;/h5-
    6H,1-4,7-8H2;2*1H;/q;;;+4
    /p-2/t5-,6+;;;;
    CPGREGRXVKABHL-UOXVPMNTSA-L    		 C1CC2CCC1[NH2+][Pt]([NH2+]2)(Cl)Cl; NC1C
    CC(N)CC1.Cl[Pt]Cl    		 Kiteplatin
    27501
    LN9
    CHEMBL245067
    DB16771
    ZINC000003875408    		 1 C21 H24 O10 InChI=1S/C21H24O10/c22-9-
    16-18(27)19(28)20(29)21(3
    1-16)30-15-8-12(24)7-14(2
    6)17(15)13(25)6-3-10-1-4-
    11(23)5-2-10/h1-2,4-5,7-8
    ,16,18-24,26-29H,3,6,9H2/
    t16-,18-,19+,20-,21-/m1/s
    1;
    IOUVKUPGCMBWBT-QNDFHXLGSA-N    		 c1cc(ccc1CCC(=O)c2c(cc(cc2OC3C(C(C(C(O3)
    CO)O)O)O)O)O)O; OC[CH]1O[CH](Oc2cc(O)cc(
    O)c2C(=O)CCc3ccc(O)cc3)[CH](O)[CH](O)[CH
    ]1O; c1cc(ccc1CCC(=O)c2c(cc(cc2O[C@H]3[C
    @@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)
    O; OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)C
    Cc3ccc(O)cc3)[C@H](O)[C@@H](O)[C@@H]1O    		 1-[2-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,6-bis(oxidanyl)phenyl]-3-(4-hydroxyphenyl)propan-1-one;
    Phlorizin
    27502
    LNA
    ZINC000004654921    		 2 C18 H31 N O4 InChI=1S/C18H31NO4/c1-2-3
    -4-5-8-11-14-17(19(22)23)
    15-12-9-6-7-10-13-16-18(2
    0)21/h8,11,15H,2-7,9-10,1
    2-14,16H2,1H3,(H,20,21)/b
    11-8-,17-15+;
    LELVHAQTWXTCLY-XYWKCAQWSA-N    		 CCCCC\C=C/CC(=C/CCCCCCCC(O)=O)\[N+]([O-]
    )=O; CCCCC\C=C/C/C(=C\CCCCCCCC(=O)O)/[N+
    ](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(=O)O)[N
    +](=O)[O-]; CCCCCC=CCC(=CCCCCCCCC(O)=O)[
    N+]([O-])=O; [O-][N+](=O)/C(=C/CCCCCCCC(
    =O)O)C\C=C/CCCCC    		 (9E,12Z)-10-nitrooctadeca-9,12-dienoic acid
    27503
    LNB
    CHEMBL554608    		 2 C18 H31 N O4 InChI=1S/C18H31NO4/c1-2-3
    -4-11-14-17(19(22)23)15-1
    2-9-7-5-6-8-10-13-16-18(2
    0)21/h9,12,14H,2-8,10-11,
    13,15-16H2,1H3,(H,20,21)/
    b12-9-,17-14+;
    ZYFTUIURWQWFKQ-QIAGQCQHSA-N    		 O=C(O)CCCCCCC/C=C\CC(=C/CCCCC)\[N+]([O-]
    )=O; CCCCCC=C(CC=CCCCCCCCC(=O)O)[N+](=O)
    [O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(=O)O)\[N
    +](=O)[O-]; CCCCC\C=C(/C\C=C/CCCCCCCC(O)
    =O)[N+]([O-])=O; CCCCCC=C(CC=CCCCCCCCC(O
    )=O)[N+]([O-])=O    		 (9Z,12E)-12-nitrooctadeca-9,12-dienoic acid
    27504
    LNC    		 2 C25 H33 N7 O17 P2 InChI=1S/C25H33N7O17P2/c2
    6-20-15-22(29-8-28-20)32(
    9-30-15)24-19(37)17(35)14
    (48-24)7-46-51(43,44)49-5
    0(41,42)45-6-13-16(34)18(
    36)23(47-13)31-4-10(1-2-1
    2(33)25(39)40)3-11(5-31)2
    1(27)38/h3-5,8-9,12-14,16
    -19,23-24,33-37H,1-2,6-7H
    2,(H6-,26,27,28,29,38,39,
    40,41,42,43,44)/t12-,13+,
    14+,16+,17+,18+,19+,23+,2
    4+/m0/s1;
    PLMTVPOYALSQOL-AMUFZZJCSA-N    		 c1c(c[n+](cc1C(=O)N)[C@H]2[C@@H]([C@@H](
    [C@H](O2)CO[P@](=O)(O)O[P@](=O)([O-])OC[
    C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc
    5N)O)O)O)O)CC[C@@H](C(=O)O)O; NC(=O)c1cc
    (CC[C@H](O)C(O)=O)c[n+](c1)[C@@H]2O[C@H]
    (CO[P@@](O)(=O)O[P]([O-])(=O)OC[C@H]3O[C
    @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C
    @@H](O)[C@H]2O; c1c(c[n+](cc1C(=O)N)C2C(
    C(C(O2)COP(=O)(O)OP(=O)([O-])OCC3C(C(C(O
    3)n4cnc5c4ncnc5N)O)O)O)O)CCC(C(=O)O)O; N
    C(=O)c1cc(CC[CH](O)C(O)=O)c[n+](c1)[CH]2
    O[CH](CO[P](O)(=O)O[P]([O-])(=O)OC[CH]3O
    [CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH]
    (O)[CH]2O    		 (3S)-5-(3-CARBOXY-3-HYDROXYPROPYL) NICOTINAMIDE-ADENINE-DINUCLEOTIDE;
    S-LAC-NAD+
    27505
    LND
    CHEMBL3139900
    ZINC000103254401    		 10 C13 H16 N5 O2 InChI=1S/C13H15N5O2/c14-1
    3(19)11-2-7-17(8-3-11)5-1
    -6-18-9-4-15-12(18)10-16-
    20/h2-4,7-10H,1,5-6H2,(H2
    -,14,15,19,20)/p+1;
    AEYBMKVDFNSVJO-UHFFFAOYSA-O    		 c1c[n+](ccc1C(=O)N)CCCn2ccnc2/C=N/O; c1[
    n+](ccc(c1)C(N)=O)CCCn2c(ncc2)\C=N\O; NC
    (=O)c1cc[n+](CCCn2ccnc2C=NO)cc1; c1c[n+]
    (ccc1C(=O)N)CCCn2ccnc2C=NO; NC(=O)c1cc[n
    +](CCCn2ccnc2\C=N\O)cc1    		 4-carbamoyl-1-(3-{2-[(E)-(hydroxyimino)methyl]-1H-imidazol-1-yl}propyl)pyridin-1-ium
    27506
    LNE
    ZINC000019426329    		 0 C8 H18 N2 O InChI=1S/C8H18N2O/c1-4-10
    -8(11)7(9)5-6(2)3/h6-7H,4
    -5,9H2,1-3H3,(H,10,11)/t7
    -/m0/s1;
    ODAKRYUDLXZGCT-ZETCQYMHSA-N    		 CCNC(=O)[C@H](CC(C)C)N; CCNC(=O)C(CC(C)C
    )N; CCNC(=O)[C@@H](N)CC(C)C; CCNC(=O)[CH
    ](N)CC(C)C; O=C(NCC)C(N)CC(C)C    		 N-ethyl-L-leucinamide
    27507
    LNF    		 0 C32 H38 N4 O InChI=1S/C32H36N4O/c1-6-3
    6(7-2)20-10-19-33-32(37)2
    4-17-15-23(16-18-24)27-25
    -13-9-12-22(4)30(25)35(5)
    31-26-14-8-11-21(3)28(26)
    34-29(27)31/h8-9,11-18H,6
    -7,10,19-20H2,1-5H3,(H,33
    ,37)/p+2;
    WLKGFBFIAFQINR-UHFFFAOYSA-P    		 CC[NH+](CC)CCCNC(=O)c1ccc(cc1)c2c3cccc(c
    3[n+](c4c2[nH]c5c4cccc5C)C)C; CC[NH+](CC
    )CCCNC(=O)c1ccc(cc1)c2c3[nH]c4c(C)cccc4c
    3[n+](C)c5c(C)cccc25    		 diethyl-[3-[[4-(4,5,9-trimethyl-10H-indolo[3,2-b]quinolin-5-ium-11-yl)phenyl]carbonylamino]propyl]azanium;
    4,N5,9-Trimethyl-11-(4-((3-diethylaminopropyl)carbamoyl)phenyl-10H-indolo[3,2-b]quinolinium
    27508
    LNG
    ZINC000098209123    		 0 C14 H26 O2 InChI=1S/C14H26O2/c1-13(2
    )11-9-7-5-3-4-6-8-10-12-1
    4(15)16/h8,10,13H,3-7,9,1
    1-12H2,1-2H3,(H,15,16)/b1
    0-8-;
    CPJZLQGGCFWOAA-NTMALXAHSA-N    		 CC(C)CCCCCCCC=CCC(=O)O; CC(C)CCCCCCCC=CC
    C(O)=O; O=C(O)C\C=C/CCCCCCCC(C)C; CC(C)C
    CCCCCC/C=C\CC(=O)O; CC(C)CCCCCCC\C=C/CC(
    O)=O    		 Delta-3isotetradecenoic acid
    27509
    LNH
    CHEMBL2062585
    ZINC000084652413    		 1 C23 H21 N7 O3 InChI=1S/C23H21N7O3/c1-13
    (31)26-16-4-5-20-17(8-16)
    18(12-29(20)7-6-22(32)33)
    19-9-21(27-15-2-3-15)30-2
    3(28-19)14(10-24)11-25-30
    /h4-5,8-9,11-12,15,27H,2-
    3,6-7H2,1H3,(H,26,31)(H,3
    2,33);
    FXZDYVDTIVZZCX-UHFFFAOYSA-N    		 O=C(O)CCn5c1ccc(NC(=O)C)cc1c(c2nc4c(C#N)
    cnn4c(c2)NC3CC3)c5; CC(=O)Nc1ccc2c(c1)c(
    cn2CCC(=O)O)c3cc(n4c(n3)c(cn4)C#N)NC5CC5
    ; CC(=O)Nc1ccc2n(CCC(O)=O)cc(c3cc(NC4CC4
    )n5ncc(C#N)c5n3)c2c1    		 3-{5-(acetylamino)-3-[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]-1H-indol-1-yl}propanoic acid
    27510
    LNI    		 4 C5 H11 O3 S InChI=1S/C5H10O3S/c1-9(2,
    8)4-3-5(6)7/h3-4H2,1-2H3/
    p+1;
    LEKODCUQHSSNES-UHFFFAOYSA-O    		 C[S+](=O)(C)CCC(=O)O; C[S+](C)(=O)CCC(O)
    =O    		 3-[dimethyl(oxidanyl)-$l^{4}-sulfanyl]propanoic acid;
    Dimethylsulfoxonium propionate
    27511
    LNJ
    CHEMBL4476527    		 3 C17 H16 N2 O S InChI=1S/C17H16N2OS/c1-20
    -15-8-4-13(5-9-15)10-12-2
    -6-14(7-3-12)16-11-21-17(
    18)19-16/h2-9,11H,10H2,1H
    3,(H2,18,19);
    GGCCOFFVKJCRKJ-UHFFFAOYSA-N    		 c2cc(c1nc(sc1)N)ccc2Cc3ccc(cc3)OC; COc1c
    cc(Cc2ccc(cc2)c3csc(N)n3)cc1; COc1ccc(cc
    1)Cc2ccc(cc2)c3csc(n3)N    		 4-{4-[(4-methoxyphenyl)methyl]phenyl}-1,3-thiazol-2-amine
    27512
    LNK
    CHEMBL16102
    ZINC000001698513    		 2 C5 H12 InChI=1S/C5H12/c1-3-5-4-2
    /h3-5H2,1-2H3;
    OFBQJSOFQDEBGM-UHFFFAOYSA-N    		 CCCCC PENTANE
    27513
    LNL
    CHEMBL8739
    DB00132
    ZINC000003802189    		 13 C18 H30 O2 InChI=1S/C18H30O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18(19)20/h3-4,
    6-7,9-10H,2,5,8,11-17H2,1
    H3,(H,19,20)/b4-3-,7-6-,1
    0-9-;
    DTOSIQBPPRVQHS-PDBXOOCHSA-N    		 O=C(O)CCCCCCC\C=C/C\C=C/C\C=C/CC; CCC=CC
    C=CCC=CCCCCCCCC(O)=O; CC\C=C/C/C=C\C\C=C
    /CCCCCCCC(O)=O; CCC=CCC=CC\C=C/CCCCCCCC(
    =O)O; CCC=CCC=CCC=CCCCCCCCC(=O)O    		 ALPHA-LINOLENIC ACID
    27514
    LNM
    ZINC000019509929    		 0 C7 H16 N2 O InChI=1S/C7H16N2O/c1-5(2)
    4-6(8)7(10)9-3/h5-6H,4,8H
    2,1-3H3,(H,9,10)/t6-/m0/s
    1;
    LIBDTAYIDBPBRN-LURJTMIESA-N    		 CC(C)CC(C(=O)NC)N; CNC(=O)[CH](N)CC(C)C;
    CNC(=O)[C@@H](N)CC(C)C; O=C(NC)C(N)CC(C
    )C; CC(C)C[C@@H](C(=O)NC)N    		 N-methyl-L-leucinamide
    27515
    LNN
    CHEMBL3809271
    ZINC000062720064    		 1 C14 H12 O3 InChI=1S/C14H12O3/c15-13-
    7-6-10(9-14(16)17)8-12(13
    )11-4-2-1-3-5-11/h1-8,15H
    ,9H2,(H,16,17);
    QSTRNCHHKMCZKJ-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(O)c(c1)c2ccccc2; c1ccc(cc1)
    c2cc(ccc2O)CC(=O)O; c1(ccc(CC(O)=O)cc1c2
    ccccc2)O    		 (6-hydroxybiphenyl-3-yl)acetic acid
    27516
    LNO
    CHEMBL303296
    DB03308
    ZINC000002522572    		 1 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c1-4(2
    )3-5(7)6(9)8-10/h4-5,10H,
    3,7H2,1-2H3,(H,8,9)/t5-/m
    0/s1;
    UJJHPFLWSVFLBE-YFKPBYRVSA-N    		 CC(C)C[CH](N)C(=O)NO; CC(C)CC(C(=O)NO)N;
    CC(C)C[C@@H](C(=O)NO)N; O=C(NO)C(N)CC(C
    )C; CC(C)C[C@H](N)C(=O)NO    		 L-LEUCYL-HYDROXYLAMINE
    27517
    LNP
    ZINC000095920578    		 4 C33 H54 O InChI=1S/C33H54O/c1-22(2)
    9-8-10-23(3)25-16-20-33(2
    1-24-11-12-24)27-13-14-28
    -30(4,5)29(34)17-18-31(28
    ,6)26(27)15-19-32(25,33)7
    /h13,21-23,25-26,28-29,34
    H,8-12,14-20H2,1-7H3/t23-
    ,25-,26-,28-,29+,31-,32-,
    33-/m1/s1;
    JMJLBCGVSMHFQK-SIDBGHOXSA-N    		 CC(C)CCCC(C)C1CCC2(C1(CCC3C2=CCC4C3(CCC(
    C4(C)C)O)C)C)C=C5CC5; OC5C(C1C(C3C(=CC1)
    C4(\C=C2/CC2)C(CC3)(C)C(C(C)CCCC(C)C)CC4
    )(C)CC5)(C)C; CC(C)CCC[CH](C)[CH]1CC[C]2
    (C=C3CC3)C4=CC[CH]5C(C)(C)[CH](O)CC[C]5(
    C)[CH]4CC[C]12C; CC(C)CCC[C@@H](C)[C@H]1
    CC[C@@]2(C=C3CC3)C4=CC[C@@H]5C(C)(C)[C@@
    H](O)CC[C@]5(C)[C@@H]4CC[C@]12C; C[C@H](
    CCCC(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@H]3
    C2=CC[C@H]4[C@@]3(CC[C@@H](C4(C)C)O)C)C)
    C=C5CC5    		 (3alpha,9beta,10alpha,13alpha)-30-cyclopropylidenelanost-7-en-3-ol
    27518
    LNQ
    DB03077
    ZINC000100032834    		 3 C14 H24 N2 O5 InChI=1S/C14H24N2O5/c1-2-
    5-19-7-9-21-10-8-20-6-3-4
    -16-12-11(15)13(17)14(12)
    18/h16H,2-10,15H2,1H3;
    ZUVPNXOKAPTNLU-UHFFFAOYSA-N    		 CCCOCCOCCOCCCNC1=C(N)C(=O)C1=O; CCCOCCOC
    COCCCNC1=C(C(=O)C1=O)N; O=C1C(N)=C(NCCCO
    CCOCCOCCC)C1=O    		 3-AMINO-4-{3-[2-(2-PROPOXY-ETHOXY)-ETHOXY]-PROPYLAMINO}-CYCLOBUT-3-ENE-1,2-DIONE
    27519
    LNR
    CHEMBL1437
    DB00368
    ZINC000000057624    		 15 C8 H11 N O3 InChI=1S/C8H11NO3/c9-4-8(
    12)5-1-2-6(10)7(11)3-5/h1
    -3,8,10-12H,4,9H2/t8-/m0/
    s1;
    SFLSHLFXELFNJZ-QMMMGPOBSA-N    		 c1cc(c(cc1[C@H](CN)O)O)O; NC[CH](O)c1ccc
    (O)c(O)c1; c1cc(c(cc1C(CN)O)O)O; Oc1ccc(
    cc1O)C(O)CN; NC[C@H](O)c1ccc(O)c(O)c1    		 L-NOREPINEPHRINE;
    NORADRENALINE
    27520
    LNS
    ZINC000036756677    		 1 C8 H8 N2 O3 InChI=1S/C8H8N2O3/c1-9-7(
    11)5-3-2-4-6(10-5)8(12)13
    /h2-4H,1H3,(H,9,11)(H,12,
    13);
    NPBRDFPBRHOBAK-UHFFFAOYSA-N    		 CNC(=O)c1cccc(n1)C(O)=O; CNC(=O)c1cccc(n
    1)C(=O)O; OC(=O)c1cccc(n1)C(=O)NC    		 6-(methylcarbamoyl)pyridine-2-carboxylic acid
    27521
    LNT
    ZINC000058649584    		 0 C10 H22 N2 O5 InChI=1S/C10H22N2O5/c1-5(
    2)4-7(11)10(16,17)12-8(6(
    3)13)9(14)15/h5-8,12-13,1
    6-17H,4,11H2,1-3H3,(H,14,
    15)/t6-,7+,8+/m1/s1;
    JUVAHRIWFDXYGV-CSMHCCOUSA-N    		 CC(C)C[C@H](N)C(O)(O)N[C@@H]([C@@H](C)O)
    C(O)=O; C[C@H]([C@@H](C(=O)O)NC([C@H](CC
    (C)C)N)(O)O)O; O=C(O)C(NC(O)(O)C(N)CC(C)
    C)C(O)C; CC(C)C[CH](N)C(O)(O)N[CH]([CH](
    C)O)C(O)=O; CC(C)CC(C(NC(C(C)O)C(=O)O)(O
    )O)N    		 N-[(2S)-2-amino-1,1-dihydroxy-4-methylpentyl]-L-threonine
    27522
    LNU
    CHEMBL4747905    		 2 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c1-4-
    28-22(25)19-10-15-6-5-7-1
    6-12-23-29-21(16)20(15)24
    (19)13-14-8-17(26-2)11-18
    (9-14)27-3/h8-12H,4-7,13H
    2,1-3H3;
    YNGBQIFIRITUMH-UHFFFAOYSA-N    		 CCOC(=O)c1cc2c(n1Cc3cc(cc(c3)OC)OC)-c4c(
    cno4)CCC2; CCOC(=O)c1cc2CCCc3cnoc3c2n1Cc
    4cc(OC)cc(OC)c4    		 ethyl 13-[(3,5-dimethoxyphenyl)methyl]-3-oxa-4,13-diazatricyclo[8.3.0.0^{2,6}]trideca-1(10),2(6),4,11-tetraene-12-carboxylate
    27523
    LNV
    CHEMBL466246
    DB12791
    ZINC000003985629    		 13 C13 H22 N4 O7 InChI=1S/C13H22N4O7/c1-5(
    19)16-9-6(17-13(14)15)3-8
    (12(21)22)24-11(9)10(23-2
    )7(20)4-18/h3,6-7,9-11,18
    ,20H,4H2,1-2H3,(H,16,19)(
    H,21,22)(H4,14,15,17)/t6-
    ,7+,9+,10+,11+/m0/s1;
    QNRRHYPPQFELSF-CNYIRLTGSA-N    		 CC(=O)NC1C(C=C(OC1C(C(CO)O)OC)C(=O)O)NC(
    =N)N; O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)
    C(C=1)NC(=[N@H])N; CO[CH]([CH](O)CO)[CH]
    1OC(=C[CH](NC(N)=N)[CH]1NC(C)=O)C(O)=O;
    [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(
    =O)C)[C@@H]([C@@H](CO)O)OC)C(=O)O; CO[C@
    H]([C@H](O)CO)[C@@H]1OC(=C[C@H](NC(N)=N)
    [C@H]1NC(C)=O)C(O)=O    		 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
    5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid;
    Laninamivir
    27524
    LNW
    CHEMBL3808465
    ZINC000584905621    		 2 C16 H14 O4 InChI=1S/C16H14O4/c17-15(
    18)9-11-6-12(10-16(19)20)
    8-14(7-11)13-4-2-1-3-5-13
    /h1-8H,9-10H2,(H,17,18)(H
    ,19,20);
    VAGQJIBPPQRDCK-UHFFFAOYSA-N    		 OC(=O)Cc1cc(CC(O)=O)cc(c1)c2ccccc2; c1cc
    c(cc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; C(C(O)
    =O)c1cc(CC(=O)O)cc(c1)c2ccccc2    		 2,2'-biphenyl-3,5-diyldiacetic acid
    27525
    LNX
    CHEMBL3809104
    ZINC000584905618    		 2 C14 H12 O4 S InChI=1S/C14H12O4S/c15-13
    (16)7-9-4-10(8-14(17)18)6
    -11(5-9)12-2-1-3-19-12/h1
    -6H,7-8H2,(H,15,16)(H,17,
    18);
    KZPRFEGRESQBAV-UHFFFAOYSA-N    		 c1cc(sc1)c2cc(cc(c2)CC(=O)O)CC(=O)O; OC(
    =O)Cc1cc(CC(O)=O)cc(c1)c2sccc2; C(C(O)=O
    )c1cc(cc(c1)c2cccs2)CC(=O)O    		 2,2'-(5-(thiophen-2-yl)-1,3-phenylene)diacetic acid
    27526
    LNY
    CHEMBL3810161
    ZINC000584905616    		 1 C17 H14 O5 S InChI=1S/C17H14O5S/c18-5-
    1-2-14-3-4-15(23-14)13-7-
    11(9-16(19)20)6-12(8-13)1
    0-17(21)22/h3-4,6-8,18H,5
    ,9-10H2,(H,19,20)(H,21,22
    );
    GUHLJLFVRKYNRL-UHFFFAOYSA-N    		 OCC#Cc1sc(cc1)c2cc(CC(O)=O)cc(CC(O)=O)c2
    ; c1cc(sc1C#CCO)c2cc(cc(c2)CC(=O)O)CC(=O
    )O; C(C(=O)O)c1cc(cc(c1)c2ccc(s2)C#CCO)C
    C(O)=O    		 2,2'-(5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-1,3-phenylene)diacetic acid
    27527
    LNZ
    CHEMBL3808396
    ZINC000584905612    		 1 C17 H17 N O5 S2 InChI=1S/C17H17NO5S2/c1-1
    1-9-15(23-2)14(10-13(11)1
    7(20)18-25(3,21)22)16-7-6
    -12(24-16)5-4-8-19/h6-7,9
    -10,19H,8H2,1-3H3,(H,18,2
    0);
    BQEHLOAHCIMXML-UHFFFAOYSA-N    		 Cc1cc(c(cc1C(=O)NS(=O)(=O)C)c2ccc(s2)C#C
    CO)OC; c1c(C(=O)NS(C)(=O)=O)c(C)cc(c1c2c
    cc(s2)C#CCO)OC; COc1cc(C)c(cc1c2sc(cc2)C
    #CCO)C(=O)N[S](C)(=O)=O    		 5-(5-(3-hydroxyprop-1-yn-1-yl)thiophen-2-yl)-4-methoxy-2-methyl-N-(methylsulfonyl)benzamide
    27528
    LO0    		 1 C15 H16 N2 O4 InChI=1S/C15H16N2O4/c1-20
    -12-4-2-3-5-13(12)21-9-8-
    17-15(19)11-6-7-16-14(18)
    10-11/h2-7H,8-10H2,1H3,(H
    ,17,19);
    NGQXLOHCACFSJS-UHFFFAOYSA-N    		 COc1ccccc1OCCNC(=O)C2=CC=NC(=O)C2; O=C(N
    CCOc1ccccc1OC)C1=CC=NC(=O)C1    		 N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide
    27529
    LO1
    CHEMBL426815
    DB02420    		 1 C9 H10 N2 O3 InChI=1S/C9H10N2O3/c10-5-
    6-1-3-7(4-2-6)11-8(12)9(1
    3)14/h1-4H,5,10H2,(H,11,1
    2)(H,13,14);
    RKILOCCSAVHHJT-UHFFFAOYSA-N    		 NCc1ccc(NC(=O)C(O)=O)cc1; O=C(Nc1ccc(cc1
    )CN)C(=O)O; c1cc(ccc1CN)NC(=O)C(=O)O    		 [[4-(AMINOMETHYL)PHENYL]AMINO]OXO-ACETIC ACID,
    27530
    LO2
    CHEMBL493033
    ZINC000013982505    		 2 C22 H24 Cl F6 N O3 InChI=1S/C22H24ClF6NO3/c1
    -4-5-10-30(13-14-11-17(23
    )19(33-3)18(12-14)32-2)16
    -8-6-15(7-9-16)20(31,21(2
    4,25)26)22(27,28)29/h6-9,
    11-12,31H,4-5,10,13H2,1-3
    H3;
    QKFWYOZIIUVZRC-UHFFFAOYSA-N    		 CCCC[N@](Cc1cc(c(c(c1)Cl)OC)OC)c2ccc(cc2
    )C(C(F)(F)F)(C(F)(F)F)O; CCCCN(Cc1cc(Cl)
    c(OC)c(OC)c1)c2ccc(cc2)C(O)(C(F)(F)F)C(F
    )(F)F; CCCCN(Cc1cc(c(c(c1)Cl)OC)OC)c2ccc
    (cc2)C(C(F)(F)F)(C(F)(F)F)O; Clc1cc(cc(O
    C)c1OC)CN(c2ccc(cc2)C(O)(C(F)(F)F)C(F)(F
    )F)CCCC    		 2-{4-[butyl(3-chloro-4,5-dimethoxybenzyl)amino]phenyl}-1,1,1,3,3,3-hexafluoropropan-2-ol;
    2-[4-(Butyl{[3-chloro-4,5-bis(methyloxy)phenyl]methyl}amino)phenyl]-1,1,1,3,3,3-hexafluoro-2-propanol
    27531
    LO3
    ZINC000098209124    		 4 C42 H70 O12 InChI=1S/C42H70O12/c1-25-
    14-17-39(44)54-41(29(5)40
    (45)26(2)15-16-32-20-33(4
    6-6)19-27(3)52-32)28(4)35
    (47-7)23-38(50-10)42(24-5
    1-42)37(49-9)22-31-13-11-
    12-30(53-31)21-36(48-8)34
    (43)18-25/h11-12,14,17-18
    ,26-38,40-41,43,45H,13,15
    -16,19-24H2,1-10H3/b17-14
    +,25-18+/t26-,27-,28-,29-
    ,30-,31-,32-,33+,34+,35+,
    36+,37-,38-,40-,41-,42-/m
    0/s1;
    YPLVKLZVFQFTLN-NNZJXHHNSA-N    		 CO[C@@H]1C[C@H](C)O[C@@H](CC[C@H](C)[C@H
    ](O)[C@H](C)[C@H]2OC(=O)\C=C\C(=C\[C@@H]
    (O)[C@@H](C[C@H]3O[C@@H](CC=C3)C[C@H](OC
    )[C@@]4(CO4)[C@H](C[C@@H](OC)[C@@H]2C)OC
    )OC)C)C1; C[C@H]1C[C@H](C[C@@H](O1)CC[C@
    H](C)[C@@H]([C@H](C)[C@@H]2[C@H]([C@@H](
    C[C@@H]([C@]3(CO3)[C@H](C[C@@H]4CC=C[C@H
    ](O4)C[C@H]([C@@H](/C=C(/C=C/C(=O)O2)\C)
    O)OC)OC)OC)OC)C)O)OC; CO[CH]1C[CH](C)O[C
    H](CC[CH](C)[CH](O)[CH](C)[CH]2OC(=O)C=C
    C(=C[CH](O)[CH](C[CH]3O[CH](CC=C3)C[CH](
    OC)[C]4(CO4)[CH](C[CH](OC)[CH]2C)OC)OC)C
    )C1; CC1CC(CC(O1)CCC(C)C(C(C)C2C(C(CC(C3
    (CO3)C(CC4CC=CC(O4)CC(C(C=C(C=CC(=O)O2)C
    )O)OC)OC)OC)OC)C)O)OC; O=C3OC(C(C)C(OC)C
    C(OC)C1(OC1)C(OC)CC2OC(C=CC2)CC(OC)C(O)C
    =C(C=C3)C)C(C)C(O)C(CCC4OC(CC(OC)C4)C)C    		 (1S,3S,4S,5S,7R,8S,9R,12E,14E,16R,17R,19R)-16-hydroxy-9-{(1S,2S,3S)-2-hydroxy-5-[(2S,4R,6S)-4-methoxy-6-methyltetrahydro-2H-pyran-2-yl]-1,3-dimethylpentyl}-3,5,7,17-tetramethoxy-8,14-dimethyl-11H-spiro[10,23-dioxabicyclo[17.3.1]tricosa-12,14,20-triene-4,2'-oxiran]-11-one
    27532
    LO4    		 1 C18 H23 N O3 S InChI=1S/C18H23NO3S/c1-18
    (9-3-2-4-10-18)12-22-14-7
    -5-13(6-8-14)11-15-16(20)
    19-17(21)23-15/h5-8,23H,2
    -4,9-12H2,1H3,(H,19,20,21
    );
    VYHNBSGGAFFFLO-UHFFFAOYSA-N    		 CC1(CCCCC1)COc2ccc(cc2)CC3=SC(=O)NC3=O;
    c2(OCC1(C)CCCCC1)ccc(cc2)CC=3C(NC(=O)S=3
    )=O; CC1(CCCCC1)COc2ccc(CC3=[SH]C(=O)NC3
    =O)cc2    		 Ciglitazone;
    5-({4-[(1-methylcyclohexyl)methoxy]phenyl}methyl)-2H-1lambda~4~,3-thiazole-2,4(3H)-dione
    27533
    LO5
    ZINC000000299710    		 3 C13 H17 N O3 InChI=1S/C13H17NO3/c1-2-1
    1(15-5-1)8-14-7-10-3-4-12
    -13(6-10)17-9-16-12/h3-4,
    6,11,14H,1-2,5,7-9H2/t11-
    /m1/s1;
    GSKKKMLEVJZIAD-LLVKDONJSA-N    		 C1CO[CH](C1)CNCc2ccc3OCOc3c2; c1cc2c(cc1
    CNCC3CCCO3)OCO2; c1cc2c(cc1CNC[C@H]3CCCO
    3)OCO2; C1CO[C@H](C1)CNCc2ccc3OCOc3c2    		 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine
    27534
    LO6
    ZINC000334254755    		 1 C9 H15 F2 N O3 InChI=1S/C9H15F2NO3/c1-6-
    3-12(4-7(2)15-6)8(13)5-14
    -9(10)11/h6-7,9H,3-5H2,1-
    2H3/t6-,7+;
    KVTKFHLTYQIGCM-KNVOCYPGSA-N    		 CC1CN(CC(O1)C)C(=O)COC(F)F; C[CH]1CN(C[C
    H](C)O1)C(=O)COC(F)F; O=C(COC(F)F)N1CC(C
    )OC(C)C1; C[C@@H]1CN(C[C@@H](O1)C)C(=O)C
    OC(F)F; C[C@@H]1CN(C[C@H](C)O1)C(=O)COC(
    F)F    		 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one
    27535
    LO7
    ZINC000001482950    		 1 C19 H18 N2 O4 S InChI=1S/C19H18N2O4S/c1-2
    -12-5-8-15(20-10-12)16(22
    )11-25-14-6-3-13(4-7-14)9
    -17-18(23)21-19(24)26-17/
    h3-8,10,17H,2,9,11H2,1H3,
    (H,21,23,24)/t17-/m0/s1;
    IRNJSRAGRIZIHD-KRWDZBQOSA-N    		 CCc1ccc(nc1)C(=O)COc2ccc(C[CH]3SC(=O)NC3
    =O)cc2; CCc1ccc(nc1)C(=O)COc2ccc(cc2)C[C
    @H]3C(=O)NC(=O)S3; CCc1ccc(nc1)C(=O)COc2
    ccc(C[C@@H]3SC(=O)NC3=O)cc2; c2(OCC(c1cc
    c(CC)cn1)=O)ccc(cc2)CC3SC(=O)NC3=O; CCc1
    ccc(nc1)C(=O)COc2ccc(cc2)CC3C(=O)NC(=O)S
    3    		 Mitoglitazone;
    (5S)-5-({4-[2-(5-ethylpyridin-2-yl)-2-oxoethoxy]phenyl}methyl)-1,3-thiazolidine-2,4-dione
    27536
    LO8    		 1 C16 H23 N3 O2 InChI=1S/C16H23N3O2/c1-16
    (12-19(8-7-18-16)14-10-21
    -11-14)15(20)17-9-13-5-3-
    2-4-6-13/h2-6,14,18H,7-12
    H2,1H3,(H,17,20)/t16-/m0/
    s1;
    IRKRQLZUELHGGZ-INIZCTEOSA-N    		 CC1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C]
    1(CN(CCN1)C2COC2)C(=O)NCc3ccccc3; C[C@]1
    (CN(CCN1)C2COC2)C(=O)NCc3ccccc3    		 (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide
    27537
    LO9    		 4 C18 H16 N2 O3 InChI=1S/C18H16N2O3/c1-21
    -15-5-12(6-16(7-15)22-2)9
    -20-10-14-4-3-13-8-19-23-
    18(13)17(14)11-20/h3-8,10
    -11H,9H2,1-2H3;
    GVTUEXALHVXNOH-UHFFFAOYSA-N    		 COc1cc(Cn2cc3ccc4cnoc4c3c2)cc(OC)c1; COc
    1cc(cc(c1)OC)Cn2cc3ccc4cnoc4c3c2    		 7-[(3,5-dimethoxyphenyl)methyl]pyrrolo[3,4-g][1,2]benzoxazole
    27538
    LOA
    CHEMBL272041
    ZINC000028536877    		 1 C26 H42 O4 InChI=1S/C26H42O4/c1-16(5
    -10-24(28)29)21-8-9-22-20
    -7-6-18-15-19(30-17(2)27)
    11-13-25(18,3)23(20)12-14
    -26(21,22)4/h16,18-23H,5-
    15H2,1-4H3,(H,28,29)/t16-
    ,18-,19-,20+,21-,22+,23+,
    25+,26-/m1/s1;
    FCQRLHQHKFKTQE-HCTDMSSWSA-N    		 C[C@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@]1(CC
    [C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)OC
    (=O)C)C)C; C[C@H](CCC(O)=O)[C@H]1CC[C@H]
    2[C@@H]3CC[C@@H]4C[C@@H](CC[C@]4(C)[C@H]
    3CC[C@]12C)OC(C)=O; CC(CCC(=O)O)C1CCC2C1
    (CCC3C2CCC4C3(CCC(C4)OC(=O)C)C)C; C[CH](
    CCC(O)=O)[CH]1CC[CH]2[CH]3CC[CH]4C[CH](C
    C[C]4(C)[CH]3CC[C]12C)OC(C)=O; O=C(O)CCC
    (C4C3(C(C2C(C1(CCC(OC(=O)C)CC1CC2)C)CC3)
    CC4)C)C    		 (3beta,5beta,9beta)-3-(acetyloxy)cholan-24-oic acid;
    Lithocholic acid acetate
    27539
    LOB
    ZINC000000156931    		 20 C22 H27 N O2 InChI=1S/C22H27NO2/c1-23-
    19(15-21(24)17-9-4-2-5-10
    -17)13-8-14-20(23)16-22(2
    5)18-11-6-3-7-12-18/h2-7,
    9-12,19-21,24H,8,13-16H2,
    1H3/t19-,20+,21-/m1/s1;
    MXYUKLILVYORSK-QHAWAJNXSA-N    		 C[N@@]1[C@H](CCC[C@H]1CC(=O)c2ccccc2)C[C
    @H](c3ccccc3)O; O=C(c1ccccc1)CC3N(C)C(CC
    (O)c2ccccc2)CCC3; CN1[C@H](CCC[C@H]1CC(=
    O)c2ccccc2)C[C@@H](O)c3ccccc3; CN1C(CCCC
    1CC(=O)c2ccccc2)CC(c3ccccc3)O; CN1[CH](C
    CC[CH]1CC(=O)c2ccccc2)C[CH](O)c3ccccc3    		 LOBELINE;
    2-{(2S,6R)-6-[(2R)-2-HYDROXY-2-PHENYLETHYL]-1-METHYLPIPERIDIN-2-YL}-1-PHENYLETHANONE
    27540
    LOC
    CHEMBL107
    DB01394
    ZINC000000621853    		 53 C22 H25 N O6 InChI=1S/C22H25NO6/c1-12(
    24)23-16-8-6-13-10-19(27-
    3)21(28-4)22(29-5)20(13)1
    4-7-9-18(26-2)17(25)11-15
    (14)16/h7,9-11,16H,6,8H2,
    1-5H3,(H,23,24)/t16-/m0/s
    1;
    IAKHMKGGTNLKSZ-INIZCTEOSA-N    		 O=C(NC3C1=CC(=O)C(OC)=CC=C1c2c(cc(OC)c(O
    C)c2OC)CC3)C; CC(=O)NC1CCc2cc(c(c(c2C3=C
    C=C(C(=O)C=C13)OC)OC)OC)OC; CC(=O)N[C@H]
    1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)O
    C)OC; COC1=CC=C2C(=CC1=O)[CH](CCc3cc(OC)
    c(OC)c(OC)c23)NC(C)=O; COC1=CC=C2C(=CC1=
    O)[C@H](CCc3cc(OC)c(OC)c(OC)c23)NC(C)=O    		 N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide;
    COLCHICINE
    27541
    LOD
    CHEMBL4449176    		 2 C23 H24 Cl N O3 InChI=1S/C23H24ClNO3/c24-
    18-5-6-19-16(10-18)8-9-23
    (19)13-25(12-15-2-1-3-15)
    20-11-17(22(26)27)4-7-21(
    20)28-14-23/h4-7,10-11,15
    H,1-3,8-9,12-14H2,(H,26,2
    7)/t23-/m0/s1;
    YLXRDIJLTBHLLJ-QHCPKHFHSA-N    		 c1cc2c(cc1C(=O)O)N(CC3(CCc4c3ccc(c4)Cl)C
    O2)CC5CCC5; c1cc2c(cc1C(=O)O)N(C[C@@]3(C
    Cc4c3ccc(c4)Cl)CO2)CC5CCC5; OC(=O)c1ccc2
    OC[C@]3(CCc4cc(Cl)ccc34)CN(CC5CCC5)c2c1;
    OC(=O)c1ccc2OC[C]3(CCc4cc(Cl)ccc34)CN(C
    C5CCC5)c2c1; c5c(Cl)cc4CCC2(COc1ccc(cc1N
    (C2)CC3CCC3)C(O)=O)c4c5    		 (3S)-5'-chloro-5-(cyclobutylmethyl)-2',3',4,5-tetrahydro-2H-spiro[1,5-benzoxazepine-3,1'-indene]-7-carboxylic acid
    27542
    LOE
    ZINC000000238636    		 1 C14 H25 N O2 InChI=1S/C14H25NO2/c1-3-7
    -14(8-4-1)16-12-13(17-14)
    11-15-9-5-2-6-10-15/h13H,
    1-12H2/t13-/m0/s1;
    QYPMYEBDZRSXPG-ZDUSSCGKSA-N    		 C1CCC2(CC1)OC[C@@H](O2)CN3CCCCC3; C1CCC2
    (CC1)OCC(O2)CN3CCCCC3; C1CCN(CC1)C[CH]2C
    OC3(CCCCC3)O2; C1CCN(CC1)C[C@H]2COC3(CCC
    CC3)O2    		 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine
    27543
    LOF    		 0 C9 H10 O3 InChI=1/C9H10O3/c10-8(9(1
    1)12)6-7-4-2-1-3-5-7/h1-5
    ,8,10H,6H2,(H,11,12)/t8-/
    m0/s1/f/h11H;
    VOXXWSYKYCBWHO-KMJKUPBBDH    		 c1ccc(cc1)CC(C(=O)O)O; c1ccc(cc1)C[C@@H]
    (C(=O)O)O; O=C(O)C(O)Cc1ccccc1; O[C@@H](
    Cc1ccccc1)C(O)=O; O[CH](Cc1ccccc1)C(O)=O    		 3-PHENYL-LACTIC ACID
    27544
    LOG
    CHEMBL402605
    ZINC000005167376    		 10 C8 H14 N2 O6 InChI=1S/C8H14N2O6/c1-3(1
    2)9-5-7(14)6(13)4(2-11)16
    -8(5)10-15/h4-7,11,13-15H
    ,2H2,1H3,(H,9,12)/b10-8-/
    t4-,5-,6-,7-/m1/s1;
    NJBKCLCEXIDHDR-OANDGCGGSA-N    		 CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=NO
    ; O=C(NC1C(=N\O)\OC(CO)C(O)C1O)C; CC(=O)
    N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\O)CO)
    O)O; CC(=O)N[C@@H]\1[C@@H](O)[C@H](O)[C@
    @H](CO)OC\1=N\O; CC(=O)NC1C(C(C(OC1=NO)C
    O)O)O    		 N-acetylglucosaminono-1,5-lactone (Z)-oxime;
    LOGNAC
    27545
    LOH    		 0 C6 H14 N2 O4 InChI=1S/C6H14N2O4/c7-2-1
    -3(9)5(10)4(8)6(11)12/h3-
    5,9-10H,1-2,7-8H2,(H,11,1
    2)/t3-,4-,5+/m0/s1;
    ALWBRQWTMGZSIM-VAYJURFESA-N    		 C(CN)[C@@H]([C@H]([C@@H](C(=O)O)N)O)O; N
    CC[CH](O)[CH](O)[CH](N)C(O)=O; NCC[C@H](
    O)[C@@H](O)[C@H](N)C(O)=O; C(CN)C(C(C(C(
    =O)O)N)O)O    		 3,4-dihydroxylysine
    27546
    LOI
    CHEMBL490961
    DB08118
    ZINC000039277809    		 1 C15 H16 N6 O S2 InChI=1S/C15H16N6OS2/c1-9
    -7-23-14(18-9)19-13(22)11
    -6-10(4-5-12(11)16-2)24-1
    5-20-17-8-21(15)3/h4-8,16
    H,1-3H3,(H,18,19,22);
    XRJAKERBMMBUGR-UHFFFAOYSA-N    		 Cc1csc(n1)NC(=O)c2cc(ccc2NC)Sc3nncn3C; C
    Nc1ccc(Sc2nncn2C)cc1C(=O)Nc3scc(C)n3; O=
    C(Nc1nc(cs1)C)c3cc(Sc2nncn2C)ccc3NC    		 2-(methylamino)-N-(4-methyl-1,3-thiazol-2-yl)-5-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]benzamide
    27547
    LOJ
    CHEMBL4533049    		 1 C21 H21 Cl2 N O3 InChI=1S/C21H21Cl2NO3/c22
    -16-5-6-17(18(23)9-16)15-
    11-24(10-13-2-1-3-13)19-8
    -14(21(25)26)4-7-20(19)27
    -12-15/h4-9,13,15H,1-3,10
    -12H2,(H,25,26)/t15-/m0/s
    1;
    FLTAOBQLOVJBJL-HNNXBMFYSA-N    		 c1cc2c(cc1C(=O)O)N(C[C@@H](CO2)c3ccc(cc3
    Cl)Cl)CC4CCC4; OC(=O)c1ccc2OC[C@H](CN(CC
    3CCC3)c2c1)c4ccc(Cl)cc4Cl; OC(=O)c1ccc2O
    C[CH](CN(CC3CCC3)c2c1)c4ccc(Cl)cc4Cl; c1
    cc2c(cc1C(=O)O)N(CC(CO2)c3ccc(cc3Cl)Cl)C
    C4CCC4; c4c(c(C1COc3ccc(cc3N(C1)CC2CCC2)
    C(O)=O)ccc4Cl)Cl    		 (3S)-5-(cyclobutylmethyl)-3-(2,4-dichlorophenyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine-7-carboxylic acid
    27548
    LOK
    ZINC000000476364    		 1 C10 H12 N2 O4 InChI=1S/C10H12N2O4/c1-15
    -9(13)11-7-4-3-5-8(6-7)12
    -10(14)16-2/h3-6H,1-2H3,(
    H,11,13)(H,12,14);
    BQFREXSKWBUSAP-UHFFFAOYSA-N    		 COC(=O)Nc1cccc(c1)NC(=O)OC; COC(=O)Nc1cc
    cc(NC(=O)OC)c1    		 methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate
    27549
    LOL    		 0 C6 H15 N O2 InChI=1S/C6H15NO2/c1-4(2)
    3-5(7)6(8)9/h4-6,8-9H,3,7
    H2,1-2H3/t5-/m0/s1;
    MUGBTWHZSATDPU-YFKPBYRVSA-N    		 CC(C)C[C@@H](C(O)O)N; CC(C)C[C@H](N)C(O)
    O; OC(O)C(N)CC(C)C; CC(C)CC(C(O)O)N; CC(
    C)C[CH](N)C(O)O    		 (2S)-2-amino-4-methylpentane-1,1-diol
    27550
    LOM
    CHEMBL15605
    ZINC000001484626    		 0 C3 H3 N S InChI=1S/C3H3NS/c1-2-5-3-
    4-1/h1-3H;
    FZWLAAWBMGSTSO-UHFFFAOYSA-N    		 s1ccnc1; c1cscn1; n1ccsc1 THIAZOLE
    27551
    LON
    CHEMBL312862
    DB13318
    ZINC000003872132    		 2 C21 H25 N O5 InChI=1S/C21H25NO5/c1-22-
    15-8-6-12-10-18(25-3)20(2
    6-4)21(27-5)19(12)13-7-9-
    17(24-2)16(23)11-14(13)15
    /h7,9-11,15,22H,6,8H2,1-5
    H3/t15-/m0/s1;
    NNJPGOLRFBJNIW-HNNXBMFYSA-N    		 CN[C@H]1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)
    OC)OC)OC)OC; CN[CH]1CCc2cc(OC)c(OC)c(OC)
    c2C3=CC=C(OC)C(=O)C=C13; CN[C@H]1CCc2cc(
    OC)c(OC)c(OC)c2C3=CC=C(OC)C(=O)C=C13; CN
    C1CCc2cc(c(c(c2C3=CC=C(C(=O)C=C13)OC)OC)
    OC)OC    		 (7S)-1,2,3,10-tetramethoxy-7-(methylamino)-6,7-dihydro-5H-benzo[a]heptalen-9-one
    27552
    LOO    		 2 C23 H23 F3 N2 O5 InChI=1S/C23H23F3N2O5/c1-
    13-9-15(10-14(2)19(13)33-
    22(3,4)20(30)31)11-28-18(
    29)12-27(21(28)32)17-7-5-
    16(6-8-17)23(24,25)26/h5-
    10H,11-12H2,1-4H3,(H,30,3
    1);
    BIIFAYFKMQRXPQ-UHFFFAOYSA-N    		 Cc1cc(CN2C(=O)CN(C2=O)c3ccc(cc3)C(F)(F)F
    )cc(C)c1OC(C)(C)C(O)=O; Cc1cc(cc(c1OC(C)
    (C)C(=O)O)C)CN2C(=O)CN(C2=O)c3ccc(cc3)C(
    F)(F)F    		 2-[4-[[2,5-bis(oxidanylidene)-3-[4-(trifluoromethyl)phenyl]imidazolidin-1-yl]methyl]-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
    27553
    LOP
    ZINC000064437180    		 65 C35 H68 N O8 P InChI=1S/C35H68NO8P/c1-3-
    5-7-9-11-13-14-15-16-17-1
    8-20-22-24-26-28-35(38)44
    -33(32-43-45(39,40)42-30-
    29-36)31-41-34(37)27-25-2
    3-21-19-12-10-8-6-4-2/h15
    -16,33H,3-14,17-32,36H2,1
    -2H3,(H,39,40)/b16-15-/t3
    3-/m1/s1;
    FUUNMZKPCMPCHT-ILGKRYBBSA-N    		 CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC
    N)OC(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCCCC
    CC(=O)OC[C@H](CO[P@@](O)(=O)OCCN)OC(=O)C
    CCCCCC\C=C/CCCCCCCC; CCCCCCCCCCCC(=O)OCC
    (COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
    ; O=C(OCC(OC(=O)CCCCCCC\C=C/CCCCCCCC)COP
    (=O)(OCCN)O)CCCCCCCCCCC; CCCCCCCCCCCC(=O
    )OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=
    CCCCCCCCC    		 (1R)-2-{[(R)-(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(DODECANOYLOXY)METHYL]ETHYL (9Z)-OCTADEC-9-ENOATE;
    LAURYL OLEYL PHOSPHATIDYL ETHANOLAMINE
    27554
    LOQ
    CHEMBL1078597
    ZINC000000069314    		 1 C11 H11 N O2 InChI=1S/C11H11NO2/c1-8-2
    -4-9(5-3-8)12-10(13)6-7-1
    1(12)14/h2-5H,6-7H2,1H3;
    IDSFKFXFMNGXCK-UHFFFAOYSA-N    		 Cc1ccc(cc1)N2C(=O)CCC2=O 1-(4-methylphenyl)pyrrolidine-2,5-dione
    27555
    LOR
    ZINC000015529318    		 2 C16 H18 Cl N3 O4 InChI=1S/C16H18ClN3O4/c17
    -10-6-7-11(19-14(10)16(23
    )24)12(8-21)20-15(22)13(1
    8)9-4-2-1-3-5-9/h1-5,8,10
    -13H,6-7,18H2,(H,20,22)(H
    ,23,24)/t10-,11+,12+,13+/
    m0/s1;
    DRTWKGBDHBOYMS-UMSGYPCISA-N    		 N[CH](C(=O)N[CH](C=O)[CH]1CC[CH](Cl)C(=N
    1)C(O)=O)c2ccccc2; c1ccc(cc1)C(C(=O)NC(C
    =O)C2CCC(C(=N2)C(=O)O)Cl)N; O=C(O)C2=NC(
    C(NC(=O)C(c1ccccc1)N)C=O)CCC2Cl; c1ccc(c
    c1)[C@H](C(=O)N[C@H](C=O)[C@H]2CCC(C(=N2
    )C(=O)O)Cl)N; N[C@@H](C(=O)N[C@H](C=O)[C
    @H]1CC[C@H](Cl)C(=N1)C(O)=O)c2ccccc2    		 LORACABEF (Open form);
    (3S,6R)-6-[(1S)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-3-chloro-3,4,5,6-tetrahydropyridine-2-carboxylic acid
    27556
    LOS
    DB03492    		 1 C23 H19 N6 Os InChI=1S/2C10H8N2.C3H3N2.
    Os/c2*1-3-7-11-9(5-1)10-6
    -2-4-8-12-10;1-2-5-3-4-1;
    /h2*1-8H;1-3H;/q;;-1;+3;
    LHAHECCJWGXHOW-UHFFFAOYSA-N    		 [Os++]|1|2(|n3ccccc3c4ccccn|14)(|n5ccccc
    5c6ccccn|26)n7ccnc7; n1ccn(c1)[Os+2]73(n
    4c(c2ccccn23)cccc4)n5ccccc5c6ccccn67; c1
    cn(cn1)[Os+2]23([N]4=C(C=CC=C4)C5=CC=CC=
    [N]52)[N]6=C(C=CC=C6)C7=CC=CC=[N]37    		 LAMBDA-BIS(2,2'-BIPYRIDINE)IMIDAZOLE OSMIUM (II)
    27557
    LOT    		 5 C9 H9 N3 O4 S InChI=1S/C9H9N3O4S/c10-17
    (15,16)6-1-2-7(11-5-6)12-
    8(13)3-4-9(12)14/h1-2,5H,
    3-4H2,(H2,10,15,16);
    LBSDOHDMKVMJLR-UHFFFAOYSA-N    		 c1cc(ncc1S(=O)(=O)N)N2C(=O)CCC2=O; N[S](
    =O)(=O)c1ccc(nc1)N2C(=O)CCC2=O    		 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide
    27558
    LOU    		 0 C13 H16 N2 O7 InChI=1S/C13H16N2O7/c14-5
    (12(20)21)3-13-2-1-6(22-1
    3)8-9(13)11(19)15(10(8)18
    )4-7(16)17/h5-6,8-9H,1-4,
    14H2,(H,16,17)(H,20,21)/t
    5-,6-,8+,9-,13-/m0/s1;
    IYFGLSSJYCLPBF-BNVRWGGXSA-N    		 C(CN1C(C2C(C1=O)C3OC2(CC(N)C(=O)O)CC3)=O
    )(=O)O; N[CH](C[C]12CC[CH](O1)[CH]3[CH]2
    C(=O)N(CC(O)=O)C3=O)C(O)=O; N[C@@H](C[C@
    ]12CC[C@H](O1)[C@@H]3[C@H]2C(=O)N(CC(O)=
    O)C3=O)C(O)=O; C1CC2(C3C(C1O2)C(=O)N(C3=
    O)CC(=O)O)CC(C(=O)O)N; C1C[C@@]2([C@H]3[
    C@@H]([C@H]1O2)C(=O)N(C3=O)CC(=O)O)C[C@@
    H](C(=O)O)N    		 3-[(3aR,4S,7S,7aS)-2-(carboxymethyl)-1,3-dioxooctahydro-4H-4,7-epoxyisoindol-4-yl]-L-alanine
    27559
    LOV
    ZINC000006364559    		 0 C12 H25 N O3 InChI=1S/C12H25NO3/c1-7(2
    )5-10(13)11(14)6-9(8(3)4)
    12(15)16/h7-11,14H,5-6,13
    H2,1-4H3,(H,15,16)/t9-,10
    -,11-/m0/s1;
    MDQDVSMXVRRCRT-DCAQKATOSA-N    		 CC(C)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)O)
    O)N; O=C(O)C(C(C)C)CC(O)C(N)CC(C)C; CC(C
    )C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(O)=O;
    CC(C)CC(C(CC(C(C)C)C(=O)O)O)N; CC(C)C[C
    H](N)[CH](O)C[CH](C(C)C)C(O)=O    		 5-AMINO-4-HYDROXY-2-ISOPROPYL-7-METHYL-OCTANOIC ACID
    27560
    LOW
    ZINC000100009324    		 4 C10 H17 N O InChI=1S/C10H17NO/c11-9-2
    -7-1-8(3-9)5-10(12,4-7)6-
    9/h7-8,12H,1-6,11H2/t7-,8
    +,9+,10-;
    DWPIPTNBOVJYAD-FIRGSJFUSA-N    		 C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)N; NC12C
    [CH]3C[CH](C1)CC(O)(C3)C2; C1C2CC3(CC1CC
    (C2)(C3)O)N; NC12C[C@@H]3C[C@H](C1)CC(O)
    (C3)C2    		 (5~{S},7~{R})-3-azanyladamantan-1-ol
    27561
    LOX
    DB01921
    ZINC000036766387    		 1 C5 H10 N2 O4 InChI=1S/C5H10N2O4/c8-2-1
    -6-5(7-11)4(10)3(2)9/h2-4
    ,8-11H,1H2,(H,6,7)/t2-,3+
    ,4-/m1/s1;
    JDBSITHMKSTORG-FLRLBIABSA-N    		 ON=C1NC[CH](O)[CH](O)[CH]1O; O/N=C/1NC[C
    @@H](O)[C@H](O)[C@H]/1O; C1C(C(C(C(=NO)N
    1)O)O)O; OC1C(=N\O)\NCC(O)C1O; C1[C@H]([
    C@@H]([C@H](/C(=N/O)/N1)O)O)O    		 (2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol;
    3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME
    27562
    LOY    		 0 C27 H44 N9 O11 P S2 InChI=1S/C27H44N9O11PS2/c
    1-27(2,12-46-48(42)43)22(
    40)25(41)31-7-5-18(37)30-
    8-9-49-17(15-4-3-6-29-15)
    11-50(44,45)35-10-16-20(3
    8)21(39)26(47-16)36-14-34
    -19-23(28)32-13-33-24(19)
    36/h13-17,20-22,26,29,35,
    38-40H,3-12H2,1-2H3,(H,30
    ,37)(H,31,41)(H2,28,32,33
    )/t15-,16-,17+,20-,21-,22
    +,26-/m1/s1;
    UUZQPBPCNSKBOR-NZQKSRFZSA-N    		 CC(C)(COP(=O)=O)C(C(=O)NCCC(=O)NCCSC(CS(
    =O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C
    4CCCN4)O; CC(C)(COP(=O)=O)[C@H](C(=O)NCC
    C(=O)NCCS[C@@H](CS(=O)(=O)NC[C@@H]1[C@H]
    ([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O)[C@H
    ]4CCCN4)O; CC(C)(CO[P](=O)=O)[CH](O)C(=O
    )NCCC(=O)NCCS[CH](C[S](=O)(=O)NC[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4C
    CCN4; N1C(CCC1)C(CS(=O)(=O)NCC4OC(n2cnc3
    c2ncnc3N)C(O)C4O)SCCNC(CCNC(C(C(COP(=O)=
    O)(C)C)O)=O)=O; CC(C)(CO[P](=O)=O)[C@@H]
    (O)C(=O)NCCC(=O)NCCS[C@@H](C[S](=O)(=O)N
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N
    )ncnc23)[C@H]4CCCN4    		 5'-deoxy-5'-[({(2R)-2-({2-[(N-{(2R)-4-[(dioxo-lambda~5~-phosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-beta-alanyl)amino]ethyl}sulfanyl)-2-[(2R)-pyrrolidin-2-yl]ethyl}sulfonyl)amino]adenosine
    27563
    LOZ
    ZINC000095920906    		 4 C22 H24 N2 O5 InChI=1S/C22H24N2O5/c23-9
    -3-6-19(25)24-17-11-13-4-
    1-2-5-15(13)16(17)10-14-7
    -8-18-21(29-12-28-18)20(1
    4)22(26)27/h1-2,4-5,7-8,1
    6-17H,3,6,9-12,23H2,(H,24
    ,25)(H,26,27)/t16-,17+/m0
    /s1;
    JAXONHRCCIOGKL-DLBZAZTESA-N    		 c1ccc2c(c1)C[C@H]([C@H]2Cc3ccc4c(c3C(=O)
    O)OCO4)NC(=O)CCCN; NCCCC(=O)N[C@@H]1Cc2c
    cccc2[C@@H]1Cc3ccc4OCOc4c3C(O)=O; c1ccc2
    c(c1)CC(C2Cc3ccc4c(c3C(=O)O)OCO4)NC(=O)C
    CCN; NCCCC(=O)N[CH]1Cc2ccccc2[CH]1Cc3ccc
    4OCOc4c3C(O)=O; O=C(NC2Cc1ccccc1C2Cc3ccc
    4OCOc4c3C(=O)O)CCCN    		 5-[[(1S,2R)-2-(4-azanylbutanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid
    27564
    LP0    		 4 C10 H16 B N4 O9 P S InChI=1S/C10H16BN4O9PS/c1
    -10(2,8(17)18)23-15-6(5-3
    -26-9(12)14-5)7(16)13-4-1
    1(19)24-25(20,21)22/h3,19
    H,4H2,1-2H3,(H2,12,14)(H,
    13,16)(H,17,18)(H2,20,21,
    22)/b15-6-;
    NLJWLRKAKQZXHE-UUASQNMZSA-N    		 B(CNC(=O)C(=NOC(C)(C)C(=O)O)c1csc(n1)N)(
    O)OP(=O)(O)O; B(CNC(=O)/C(=N\OC(C)(C)C(=
    O)O)/c1csc(n1)N)(O)OP(=O)(O)O; CC(C)(ON=
    C(C(=O)NCB(O)O[P](O)(O)=O)c1csc(N)n1)C(O
    )=O; CC(C)(O\N=C(/C(=O)NCB(O)O[P](O)(O)=
    O)c1csc(N)n1)C(O)=O; OP(O)(=O)OB(O)CNC(\
    C(=N/OC(C)(C(O)=O)C)c1csc(n1)N)=O    		 (7Z)-7-(2-amino-1,3-thiazol-4-yl)-1,1,3-trihydroxy-10,10-dimethyl-1,6-dioxo-2,9-dioxa-5,8-diaza-1lambda~5~-phospha-3-boraundec-7-en-11-oic acid
    27565
    LP1
    ZINC000085533286    		 4 C45 H58 N6 O7 InChI=1S/C45H58N6O7/c1-7-
    35(43(56)50-37(42(46)55)2
    3-31-18-12-16-29-14-8-10-
    20-33(29)31)48-40(54)25-3
    9(53)36(22-26(2)3)49-45(5
    8)41(27(4)5)51-44(57)38(4
    7-28(6)52)24-32-19-13-17-
    30-15-9-11-21-34(30)32/h8
    -21,26-27,35-39,41,53H,7,
    22-25H2,1-6H3,(H2,46,55)(
    H,47,52)(H,48,54)(H,49,58
    )(H,50,56)(H,51,57)/t35-,
    36-,37-,38-,39-,41-/m0/s1;
    ACPDNLLISIAERE-ZYWZKTPASA-N    		 CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O
    )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc
    cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@
    @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]
    ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C
    @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC
    (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O
    )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O
    )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N
    C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=
    O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c
    3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H
    ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc
    c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3
    cccc4ccccc34)C(N)=O    		 4-[2-(2-ACETYLAMINO-3-NAPHTALEN-1-YL-PROPIONYLAMINO)-4-METHYL-PENTANOYLAMINO]-3-HYDROXY-6-METHYL-HEPTANOIC ACID [1-(1-CARBAMOYL-2-NAPHTHALEN-1-YL-ETHYLCARBAMOYL)-PROPYL]-AMIDE
    27566
    LP2    		 0 C45 H58 N6 O7 InChI=1/C45H58N6O7/c1-7-3
    5(43(56)50-37(42(46)55)23
    -31-18-12-16-29-14-8-10-2
    0-33(29)31)48-40(54)25-39
    (53)36(22-26(2)3)49-45(58
    )41(27(4)5)51-44(57)38(47
    -28(6)52)24-32-19-13-17-3
    0-15-9-11-21-34(30)32/h8-
    21,26-27,35-39,41,53H,7,2
    2-25H2,1-6H3,(H2,46,55)(H
    ,47,52)(H,48,54)(H,49,58)
    (H,50,56)(H,51,57)/t35-,3
    6-,37-,38-,39-,41-/m0/s1/
    f/h47-51H,46H2;
    ACPDNLLISIAERE-GQSHMDMSDG    		 CCC(C(=O)NC(Cc1cccc2c1cccc2)C(=O)N)NC(=O
    )CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(Cc3cc
    cc4c3cccc4)NC(=O)C)O; CC[C@@H](C(=O)N[C@
    @H](Cc1cccc2c1cccc2)C(=O)N)NC(=O)C[C@@H]
    ([C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C
    @H](Cc3cccc4c3cccc4)NC(=O)C)O; CC[CH](NC
    (=O)C[CH](O)[CH](CC(C)C)NC(=O)[CH](NC(=O
    )[CH](Cc1cccc2ccccc12)NC(C)=O)C(C)C)C(=O
    )N[CH](Cc3cccc4ccccc34)C(N)=O; O=C(N)C(N
    C(=O)C(NC(=O)CC(O)C(NC(=O)C(NC(=O)C(NC(=
    O)C)Cc2cccc1ccccc12)C(C)C)CC(C)C)CC)Cc4c
    3ccccc3ccc4; CC[C@H](NC(=O)C[C@H](O)[C@H
    ](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc
    c2ccccc12)NC(C)=O)C(C)C)C(=O)N[C@@H](Cc3
    cccc4ccccc34)C(N)=O    		 N2-[[[3-NAPHTYL-N-METHYLCARBONYL-ALANINYL-VALINYL]-AMINO-[1-[2-METHYL-PROPANYL]-2-HYDROXY-PROPAN-3-YL]-CARBONYL]-3-METHYL-ALANYL]-3-NAPHTYL-ALANYL-AMINE
    27567
    LP3
    ZINC000032822175    		 12 C26 H55 N O7 P InChI=1S/C26H54NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-26(29)32-
    23-25(28)24-34-35(30,31)3
    3-22-21-27(2,3)4/h25,28H,
    5-24H2,1-4H3/p+1/t25-/m1/
    s1;
    IHNKQIMGVNPMTC-RUZDIDTESA-O    		 CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)
    (O)OCC[N+](C)(C)C)O; O=C(OCC(O)COP(=O)(O
    CC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC; CCCCC
    CCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OC
    C[N+](C)(C)C; CCCCCCCCCCCCCCCCCC(=O)OC[C
    @@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C; CCC
    CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+]
    (C)(C)C)O    		 (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE
    27568
    LP4
    ZINC000098209125    		 12 C34 H66 N O12 P InChI=1S/C34H66NO12P/c1-3
    -5-7-9-11-13-15-17-19-21-
    26(37)23-29(39)35-31-33(3
    2(47-48(42,43)44)28(25-36
    )45-34(31)41)46-30(40)24-
    27(38)22-20-18-16-14-12-1
    0-8-6-4-2/h26-28,31-34,36
    -38,41H,3-25H2,1-2H3,(H,3
    5,39)(H2,42,43,44)/t26-,2
    7-,28-,31-,32-,33-,34-/m1
    /s1;
    AJRPJFBMHCTNGK-XQJZMFRCSA-N    		 CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@
    @H]([C@H](O[C@H]1O)CO)OP(=O)(O)O)OC(=O)C
    [C@@H](CCCCCCCCCCC)O)O; CCCCCCCCCCC[C@@H
    ](O)CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H
    ](O[P](O)(O)=O)[C@@H]1OC(=O)C[C@H](O)CCC
    CCCCCCCC; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC
    1O)CO)OP(=O)(O)O)OC(=O)CC(CCCCCCCCCCC)O)
    O; CCCCCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O)
    O[CH](CO)[CH](O[P](O)(O)=O)[CH]1OC(=O)C[
    CH](O)CCCCCCCCCCC; O=P(O)(O)OC1C(OC(O)C(
    NC(=O)CC(O)CCCCCCCCCCC)C1OC(=O)CC(O)CCCC
    CCCCCCC)CO    		 2-deoxy-3-O-[(3R)-3-hydroxytetradecanoyl]-2-{[(3R)-3-hydroxytetradecanoyl]amino}-4-O-phosphono-beta-D-glucopyranose
    27569
    LP5
    ZINC000058650130    		 36 C34 H66 N O12 P InChI=1S/C34H66NO12P/c1-3
    -5-7-9-11-13-15-17-19-21-
    26(37)23-29(39)35-31-33(3
    2(41)28(25-36)45-34(31)47
    -48(42,43)44)46-30(40)24-
    27(38)22-20-18-16-14-12-1
    0-8-6-4-2/h26-28,31-34,36
    -38,41H,3-25H2,1-2H3,(H,3
    5,39)(H2,42,43,44)/t26-,2
    7-,28-,31-,32-,33-,34-/m1
    /s1;
    HEHQDWUWJVPREQ-XQJZMFRCSA-N    		 CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@H](O
    [C@H](CO)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)
    CCCCCCCCCCC)O[P](O)(O)=O; CCCCCCCCCCC[C@
    H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@
    @H]1OP(=O)(O)O)CO)O)OC(=O)C[C@@H](CCCCCC
    CCCCC)O)O; O=P(OC1OC(C(O)C(OC(=O)CC(O)CC
    CCCCCCCCC)C1NC(=O)CC(O)CCCCCCCCCCC)CO)(O
    )O; CCCCCCCCCCCC(CC(=O)NC1C(C(C(OC1OP(=O
    )(O)O)CO)O)OC(=O)CC(CCCCCCCCCCC)O)O; CCC
    CCCCCCCC[CH](O)CC(=O)N[CH]1[CH](O[CH](CO
    )[CH](O)[CH]1OC(=O)C[CH](O)CCCCCCCCCCC)O
    [P](O)(O)=O    		 (R)-((2R,3S,4R,5R,6R)-3-HYDROXY-2-(HYDROXYMETHYL)-5-((R)-3-HYDROXYTETRADECANAMIDO)-6-(PHOSPHONOOXY)TETRAHYDRO-2H-PYRAN-4-YL) 3-HYDROXYTETRADECANOATE
    27570
    LP6
    ZINC000058650291    		 0 C11 H22 N2 O2 InChI=1S/C11H22N2O2/c12-1
    0(11(14)15)6-2-5-9-13-7-3
    -1-4-8-13/h10H,1-9,12H2,(
    H,14,15)/t10-/m0/s1;
    UCDGEGRDGSSPQT-JTQLQIEISA-N    		 N[C@@H](CCCCN1CCCCC1)C(O)=O; C1CCN(CC1)C
    CCCC(C(=O)O)N; C1CCN(CC1)CCCC[C@@H](C(=O
    )O)N; N[CH](CCCCN1CCCCC1)C(O)=O; O=C(O)C
    (N)CCCCN1CCCCC1    		 6-piperidin-1-yl-L-norleucine
    27571
    LP7
    ZINC000058650134    		 1 C11 H12 N2 O5 InChI=1S/C11H12N2O5/c1-2-
    18-11(16)7-8(14)6-4-3-5-1
    2-9(6)13(17)10(7)15/h3-5,
    7-8,14,17H,2H2,1H3/t7-,8-
    /m0/s1;
    MTVPGFFXVTZGIM-YUMQZZPRSA-N    		 CCOC(=O)[C@H]1C(c2cccnc2N(C1=O)O)O; CCOC
    (=O)[C@H]1[C@@H](O)c2cccnc2N(O)C1=O; CCO
    C(=O)[CH]1[CH](O)c2cccnc2N(O)C1=O; CCOC(
    =O)C1C(c2cccnc2N(C1=O)O)O    		 ethyl 1,4-dihydroxy-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxylate
    27572
    LP8
    ZINC000103548756    		 1 C13 H14 N2 O3 InChI=1S/C13H14N2O3/c16-1
    1-9-6-3-7-14-12(9)15(18)1
    3(17)10(11)8-4-1-2-5-8/h3
    ,6-8,16,18H,1-2,4-5H2;
    QHMJHXXRZXAFLA-UHFFFAOYSA-N    		 c1cc2c(nc1)N(C(=O)C(=C2O)C3CCCC3)O; ON1C
    (=O)C(=C(O)c2cccnc12)C3CCCC3    		 3-cyclopentyl-1,4-dihydroxy-1,8-naphthyridin-2(1H)-one
    27573
    LP9
    ZINC000103548763    		 3 C21 H23 N3 O6 InChI=1S/C21H23N3O6/c1-4-
    23(5-2)13-7-9-14(10-8-13)
    30-15-11-16-18(25)17(21(2
    7)29-6-3)20(26)24(28)19(1
    6)22-12-15/h7-12,25,28H,4
    -6H2,1-3H3;
    ZAOGVQGDYHKJCT-UHFFFAOYSA-N    		 CCN(CC)c1ccc(cc1)Oc2cc3c(nc2)N(C(=O)C(=C
    3O)C(=O)OCC)O; CCOC(=O)C1=C(O)c2cc(Oc3cc
    c(cc3)N(CC)CC)cnc2N(O)C1=O    		 3-[4-(diethylamino)phenoxy]-6-(ethoxycarbonyl)-5,8-dihydroxy-7-oxo-7,8-dihydro-1,8-naphthyridin-1-ium
    27574
    LPA
    CHEMBL134342
    DB00166
    ZINC000001544807    		 15 C8 H14 O2 S2 InChI=1S/C8H14O2S2/c9-8(1
    0)4-2-1-3-7-5-6-11-12-7/h
    7H,1-6H2,(H,9,10)/t7-/m1/
    s1;
    AGBQKNBQESQNJD-SSDOTTSWSA-N    		 C1CSS[C@@H]1CCCCC(=O)O; OC(=O)CCCC[CH]1C
    CSS1; C1CSSC1CCCCC(=O)O; OC(=O)CCCC[C@@H
    ]1CCSS1; O=C(O)CCCCC1SSCC1    		 LIPOIC ACID;
    5-[(3R)-1,2-dithiolan-3-yl]pentanoic acid
    27575
    LPB
    CHEMBL1234071
    ZINC000001532729    		 1 C8 H14 O2 S2 InChI=1S/C8H14O2S2/c9-8(1
    0)4-2-1-3-7-5-6-11-12-7/h
    7H,1-6H2,(H,9,10)/t7-/m0/
    s1;
    AGBQKNBQESQNJD-ZETCQYMHSA-N    		 OC(=O)CCCC[CH]1CCSS1; C1CSSC1CCCCC(=O)O;
    C1CSS[C@H]1CCCCC(=O)O; OC(=O)CCCC[C@H]1
    CCSS1; O=C(O)CCCCC1SSCC1    		 5-[(3S)-1,2-dithiolan-3-yl]pentanoic acid
    27576
    LPC
    ZINC000015297567    		 21 C22 H47 N O7 P InChI=1S/C22H46NO7P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-22(25)28-19-21(24)20-
    30-31(26,27)29-18-17-23(2
    ,3)4/h21,24H,5-20H2,1-4H3
    /p+1/t21-/m1/s1;
    VXUOFDJKYGDUJI-OAQYLSRUSA-O    		 CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](
    C)(C)C)O; CCCCCCCCCCCCCC(=O)OC[C@@H](O)C
    O[P@@](O)(=O)OCC[N+](C)(C)C; CCCCCCCCCCC
    CCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C
    )C)O; CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O
    )(=O)OCC[N+](C)(C)C; O=C(OCC(O)COP(=O)(O
    CC[N+](C)(C)C)O)CCCCCCCCCCCCC    		 [1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
    27577
    LPD
    CHEMBL1222059
    ZINC000000391898    		 10 C5 H10 N2 O InChI=1S/C5H10N2O/c6-5(8)
    4-2-1-3-7-4/h4,7H,1-3H2,(
    H2,6,8)/t4-/m0/s1;
    VLJNHYLEOZPXFW-BYPYZUCNSA-N    		 NC(=O)[CH]1CCCN1; NC(=O)[C@@H]1CCCN1; C1
    CC(NC1)C(=O)N; C1C[C@H](NC1)C(=O)N; O=C(
    N)C1NCCC1    		 L-PROLINAMIDE
    27578
    LPE
    DB03633
    ZINC000008860508    		 201 C26 H57 N O6 P InChI=1S/C26H56NO6P/c1-5-
    6-7-8-9-10-11-12-13-14-15
    -16-17-18-19-20-22-31-24-
    26(28)25-33-34(29,30)32-2
    3-21-27(2,3)4/h26,28H,5-2
    5H2,1-4H3/p+1/t26-/m1/s1;
    XKBJVQHMEXMFDZ-AREMUKBSSA-O    		 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OCC[N+](
    C)(C)C)O; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P
    @@](=O)(O)OCC[N+](C)(C)C)O; O=P(OCC(O)CO
    CCCCCCCCCCCCCCCCCC)(OCC[N+](C)(C)C)O; CC
    CCCCCCCCCCCCCCCCOC[C@@H](O)CO[P@](O)(=O)
    OCC[N+](C)(C)C; CCCCCCCCCCCCCCCCCCOC[CH]
    (O)CO[P](O)(=O)OCC[N+](C)(C)C    		 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
    LPC-ETHER
    27579
    LPF
    DB08119    		 2 C18 H23 F3 N2 O3 InChI=1S/C18H23F3N2O3/c1-
    11(2)9-15(22-12(3)24)17(2
    6)23-14(16(25)18(19,20)21
    )10-13-7-5-4-6-8-13/h4-8,
    11,14-15H,9-10H2,1-3H3,(H
    ,22,24)(H,23,26)/t14-,15-
    /m0/s1;
    MZNXJCZDQRNGRC-GJZGRUSLSA-N    		 CC(C)CC(C(=O)NC(Cc1ccccc1)C(=O)C(F)(F)F)
    NC(=O)C; CC(C)C[CH](NC(C)=O)C(=O)N[CH](C
    c1ccccc1)C(=O)C(F)(F)F; FC(F)(F)C(=O)C(N
    C(=O)C(NC(=O)C)CC(C)C)Cc1ccccc1; CC(C)C[
    C@H](NC(C)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O
    )C(F)(F)F; CC(C)C[C@@H](C(=O)N[C@@H](Cc1
    ccccc1)C(=O)C(F)(F)F)NC(=O)C    		 1,1,1-TRIFLUORO-3-((N-ACETYL)-L-LEUCYLAMIDO)-4-PHENYL-BUTAN-2-ONE(N-ACETYL-L-LEUCYL-L-PHENYLALANYL TRIFLUOROMETHYL KETONE)
    27580
    LPG
    DB04217    		 1 C4 H5 N O2 InChI=1S/C4H5NO2/c1-2-3(5
    )4(6)7/h1,3H,5H2,(H,6,7)/
    t3-/m0/s1;
    DSUAJFIEKRKPEE-VKHMYHEASA-N    		 C#CC(C(=O)O)N; N[CH](C#C)C(O)=O; N[C@@H]
    (C#C)C(O)=O; C#C[C@@H](C(=O)O)N; C#CC(N)
    C(=O)O    		 (2S)-2-aminobut-3-ynoic acid;
    2-AMINO-BUT-3-YNOIC ACID;
    2-amino-3-butynoic acid
    27581
    LPH
    CHEMBL50483
    ZINC000002046243    		 1 C5 H7 N O2 InChI=1S/C5H7NO2/c1-2-3-4
    (6)5(7)8/h1,4H,3,6H2,(H,7
    ,8)/t4-/m0/s1;
    DGYHPLMPMRKMPD-BYPYZUCNSA-N    		 N[C@@H](CC#C)C(O)=O; N[CH](CC#C)C(O)=O;
    O=C(O)C(N)CC#C; C#CC[C@@H](C(=O)O)N; C#C
    CC(C(=O)O)N    		 L-Propargylglycine;
    (2S)-2-aminopent-4-ynoic acid
    27582
    LPI    		 4 C13 H21 N2 O7 P S InChI=1S/C13H21N2O7PS/c1-
    8-12(16)10(6-15-11(13(17)
    18)3-4-24-2)9(5-14-8)7-22
    -23(19,20)21/h5,11,15-16H
    ,3-4,6-7H2,1-2H3,(H,17,18
    )(H2,19,20,21)/t11-/m0/s1;
    TZGVKKRKUOYYOG-NSHDSACASA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CCSC)C(=O)O
    )O; O=P(O)(O)OCc1cnc(c(c1CNC(CCSC)C(O)=O
    )O)C; Cc1c(c(c(cn1)COP(=O)(O)O)CN[C@@H](
    CCSC)C(=O)O)O; CSCC[C@H](NCc1c(O)c(C)ncc
    1CO[P](O)(O)=O)C(O)=O; CSCC[CH](NCc1c(O)
    c(C)ncc1CO[P](O)(O)=O)C(O)=O    		 N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-methionine
    27583
    LPJ    		 4 Fe6 S7 InChI=1S/6Fe.7S;
    KLKIXVGTRIXICL-UHFFFAOYSA-N    		 S1[Fe]S[Fe](S[Fe]1)S[Fe]2S[Fe]S[Fe]S2; S
    1[Fe][S]2[Fe]1S[Fe]2[S]3[Fe]4S[Fe]5[S]4[
    Fe]3S5    		 FE(6)-S(7) CLUSTER
    27584
    LPK
    ZINC000005131823    		 1 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6+/
    m0/s1;
    BJHIKXHVCXFQLS-ZXEDONINSA-N    		 O=C(C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O
    )O)O)O; OC[C@H](O)[C@H](O)[C@H](O)C(=O)C
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO; C([C@
    @H]([C@@H]([C@@H](C(=O)CO)O)O)O)O    		 L-psicose
    27585
    LPL
    ZINC000058638979    		 0 C13 H27 N O3 InChI=1S/C13H27NO3/c1-8(2
    )5-10(13(16)17)7-12(15)11
    (14)6-9(3)4/h8-12,15H,5-7
    ,14H2,1-4H3,(H,16,17)/t10
    -,11+,12+/m1/s1;
    VQUMYZBNWKMCTB-WOPDTQHZSA-N    		 CC(C)C[C@H](N)[C@@H](O)C[C@@H](CC(C)C)C(
    O)=O; CC(C)CC(CC(C(CC(C)C)N)O)C(=O)O; CC
    (C)C[C@H](C[C@@H]([C@H](CC(C)C)N)O)C(=O)
    O; O=C(O)C(CC(C)C)CC(O)C(N)CC(C)C; CC(C)
    C[CH](N)[CH](O)C[CH](CC(C)C)C(O)=O    		 LEU-HYDROXYETHYLENE-LEU
    27586
    LPM
    DB08120
    ZINC000003869863    		 1 C8 H17 N O S2 InChI=1S/C8H17NOS2/c9-8(1
    0)4-2-1-3-7(12)5-6-11/h7,
    11-12H,1-6H2,(H2,9,10)/t7
    -/m1/s1;
    VLYUGYAKYZETRF-SSDOTTSWSA-N    		 NC(=O)CCCC[CH](S)CCS; O=C(N)CCCCC(S)CCS;
    C(CCC(=O)N)CC(CCS)S; C(CCC(=O)N)C[C@H](
    CCS)S; NC(=O)CCCC[C@@H](S)CCS    		 6,8-DIMERCAPTO-OCTANOIC ACID AMIDE
    27587
    LPN
    CHEMBL1269671
    ZINC000072147637    		 3 C35 H41 Cl3 N2 O4 InChI=1S/C35H41Cl3N2O4/c1
    -23-18-32(37)34(33(38)19-
    23)44-17-16-43-28-10-6-25
    (7-11-28)29-13-14-39-21-3
    0(29)35(41)40(27-8-9-27)2
    2-26-20-24(4-3-15-42-2)5-
    12-31(26)36/h5-7,10-12,18
    -20,27,29-30,39H,3-4,8-9,
    13-17,21-22H2,1-2H3/t29-,
    30+/m1/s1;
    RDCUZWVELSAOBC-IHLOFXLRSA-N    		 O=C(N(C1CC1)Cc2cc(ccc2Cl)CCCOC)C5C(c4ccc
    (OCCOc3c(Cl)cc(cc3Cl)C)cc4)CCNC5; Cc1cc(
    c(c(c1)Cl)OCCOc2ccc(cc2)C3CCNCC3C(=O)N(C
    c4cc(ccc4Cl)CCCOC)C5CC5)Cl; Cc1cc(c(c(c1
    )Cl)OCCOc2ccc(cc2)[C@H]3CCNC[C@@H]3C(=O)
    N(Cc4cc(ccc4Cl)CCCOC)C5CC5)Cl; COCCCc1cc
    c(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@@H]3c4
    ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1; COCCCc
    1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[CH]3c4
    ccc(OCCOc5c(Cl)cc(C)cc5Cl)cc4)c1    		 (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide
    27588
    LPO
    CHEMBL1234078
    ZINC000058638981    		 4 C33 H38 Cl3 N3 O5 InChI=1S/C33H38Cl3N3O5/c1
    -21-15-28(35)31(29(36)16-
    21)44-14-13-43-30-8-4-24(
    18-38-30)33(41)10-11-37-1
    9-26(33)32(40)39(25-5-6-2
    5)20-23-17-22(9-12-42-2)3
    -7-27(23)34/h3-4,7-8,15-1
    8,25-26,37,41H,5-6,9-14,1
    9-20H2,1-2H3/t26-,33+/m1/
    s1;
    ACRSSIRQZLKXJN-NYFMKLKXSA-N    		 Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3(CCNCC3C
    (=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl; Cc1c
    c(c(c(c1)Cl)OCCOc2ccc(cn2)[C@]3(CCNC[C@@
    H]3C(=O)N(Cc4cc(ccc4Cl)CCOC)C5CC5)O)Cl;
    COCCc1ccc(Cl)c(CN(C2CC2)C(=O)[CH]3CNCC[C
    ]3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1;
    O=C(N(C1CC1)Cc2cc(ccc2Cl)CCOC)C5C(O)(c4
    ccc(OCCOc3c(Cl)cc(cc3Cl)C)nc4)CCNC5; COC
    Cc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]3CNCC[C@]
    3(O)c4ccc(OCCOc5c(Cl)cc(C)cc5Cl)nc4)c1    		 (3S,4R)-N-[2-chloro-5-(2-methoxyethyl)benzyl]-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}-4-hydroxypiperidine-3-carboxamide;
    (3'S,4'R)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-4'-hydroxy-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid [2-chloro-5-(2-methoxy-ethyl)-benzyl]-cyclopropyl-amide
    27589
    LPP
    ZINC000008860533    		 0 C35 H69 O8 P InChI=1S/C35H69O8P/c1-3-5
    -7-9-11-13-15-17-19-21-23
    -25-27-29-34(36)41-31-33(
    32-42-44(38,39)40)43-35(3
    7)30-28-26-24-22-20-18-16
    -14-12-10-8-6-4-2/h33H,3-
    32H2,1-2H3,(H2,38,39,40)/
    t33-/m1/s1;
    PORPENFLTBBHSG-MGBGTMOVSA-N    		 CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)
    OC(=O)CCCCCCCCCCCCCCC; CCCCCCCCCCCCCCCC(
    =O)OC[C@H](CO[P](O)(O)=O)OC(=O)CCCCCCCCC
    CCCCCC; CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]
    (O)(O)=O)OC(=O)CCCCCCCCCCCCCCC; O=P(O)(O
    CC(OC(=O)CCCCCCCCCCCCCCC)COC(=O)CCCCCCCC
    CCCCCCC)O; CCCCCCCCCCCCCCCC(=O)OCC(COP(=
    O)(O)O)OC(=O)CCCCCCCCCCCCCCC    		 2-(HEXADECANOYLOXY)-1-[(PHOSPHONOOXY)METHYL]ETHYL HEXADECANOATE;
    1,2-DIPALMITOYL-SN-GLYCERO-3-PHOSPHATE;
    L-B,G-DIPALMITOYL-A-PHOSPHATIDIC ACID DISODIUM SALT;
    3-SN-PHOSPHATIDIC ACID;
    1,2-DIPALMITOYLDISODIUM SALT
    27590
    LPQ
    ZINC000058638984    		 4 C34 H39 Cl3 N4 O3 InChI=1S/C34H39Cl3N4O3/c1
    -21-14-30(36)33(31(37)15-
    21)44-13-12-43-32-9-3-23(
    18-40-32)27-10-11-38-19-2
    8(27)34(42)41(26-6-7-26)2
    0-24-16-22(2-8-29(24)35)1
    7-39-25-4-5-25/h2-3,8-9,1
    4-16,18,25-28,38-39H,4-7,
    10-13,17,19-20H2,1H3/t27-
    ,28+/m1/s1;
    MUNGQQYSICIEKG-IZLXSDGUSA-N    		 Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)[C@H]3CCNC
    [C@@H]3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6
    )Cl; Cc1cc(c(c(c1)Cl)OCCOc2ccc(cn2)C3CCN
    CC3C(=O)N(Cc4cc(ccc4Cl)CNC5CC5)C6CC6)Cl;
    Cc1cc(Cl)c(OCCOc2ccc(cn2)[C@H]3CCNC[C@@
    H]3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(C
    l)c1; O=C(N(C1CC1)Cc2cc(ccc2Cl)CNC3CC3)C
    6C(c5ccc(OCCOc4c(Cl)cc(cc4Cl)C)nc5)CCNC6
    ; Cc1cc(Cl)c(OCCOc2ccc(cn2)[CH]3CCNC[CH]
    3C(=O)N(Cc4cc(CNC5CC5)ccc4Cl)C6CC6)c(Cl)
    c1    		 (3R,4S)-N-{2-chloro-5-[(cyclopropylamino)methyl]benzyl}-N-cyclopropyl-4-{6-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]pyridin-3-yl}piperidine-3-carboxamide;
    (3'R,4'S)-6-[2-(2,6-Dichloro-4-methyl-phenoxy)-ethoxy]-1',2',3',4',5',6'-hexahydro-[3,4']bipyridinyl-3'-carboxylic acid (2-chloro-5-cyclopropylaminomethyl-benzyl)-cyclopropyl-amide
    27591
    LPR
    CHEMBL1237
    DB00722
    ZINC000003812863    		 6 C21 H31 N3 O5 InChI=1S/C21H31N3O5/c22-1
    3-5-4-9-16(19(25)24-14-6-
    10-18(24)21(28)29)23-17(2
    0(26)27)12-11-15-7-2-1-3-
    8-15/h1-3,7-8,16-18,23H,4
    -6,9-14,22H2,(H,26,27)(H,
    28,29)/t16-,17-,18-/m0/s1;
    RLAWWYSOJDYHDC-BZSNNMDCSA-N    		 NCCCC[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=
    O)N2CCC[C@H]2C(O)=O; NCCCC[CH](N[CH](CCc
    1ccccc1)C(O)=O)C(=O)N2CCC[CH]2C(O)=O; O=
    C(O)C2N(C(=O)C(NC(C(=O)O)CCc1ccccc1)CCCC
    N)CCC2; c1ccc(cc1)CC[C@@H](C(=O)O)N[C@@H
    ](CCCCN)C(=O)N2CCC[C@H]2C(=O)O; c1ccc(cc
    1)CCC(C(=O)O)NC(CCCCN)C(=O)N2CCCC2C(=O)O    		 [N2-[(S)-1-CARBOXY-3-PHENYLPROPYL]-L-LYSYL-L-PROLINE;
    LISINOPRIL
    27592
    LPS
    DB04136
    ZINC000038377594    		 2 C21 H44 N O9 P InChI=1S/C21H44NO9P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-20(24)29-15-18(23)16-
    30-32(27,28)31-17-19(22)2
    1(25)26/h18-20,23-24H,2-1
    7,22H2,1H3,(H,25,26)(H,27
    ,28)/t18-,19+,20-/m1/s1;
    RPZLJDFLPRHXGM-HSALFYBXSA-N    		 CCCCCCCCCCCCCC[CH](O)OC[CH](O)CO[P](O)(=
    O)OC[CH](N)C(O)=O; CCCCCCCCCCCCCC[C@H](O
    )OC[C@@H](O)CO[P@@](O)(=O)OC[C@H](N)C(O)
    =O; CCCCCCCCCCCCCCC(O)OCC(COP(=O)(O)OCC(
    C(=O)O)N)O; O=C(O)C(N)COP(=O)(OCC(O)COC(
    O)CCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC(O)OC
    [C@H](CO[P@](=O)(O)OC[C@@H](C(=O)O)N)O    		 O-{HYDROXY[((2R)-2-HYDROXY-3-{[(1S)-1-HYDROXYPENTADECYL]OXY}PROPYL)OXY]PHOSPHORYL}-L-SERINE;
    LYSOPHOSPHOTIDYLSERINE
    27593
    LPT    		 0 C6 H16 N2 Pt InChI=1S/C6H13N.H3N.Pt/c7
    -6-4-2-1-3-5-6;;/h6H,1-5,
    7H2;1H3;/q;;+2;
    QJZANKJSFCKQEM-UHFFFAOYSA-N    		 C1CCC(CC1)[NH2][Pt+2][NH3]; N.[Pt++].NC1
    CCCCC1    		 CIS-(AMMINE)(CYCLOHEXYLAMINE)PLATINUM(II) COMPLEX
    27594
    LPU
    ZINC000019780673    		 3 C6 H13 N O3 S InChI=1S/C6H13NO3S/c1-11(
    9,10)7-4-2-6(8)3-5-7/h6,8
    H,2-5H2,1H3;
    UPEFDWJLNXWMOW-UHFFFAOYSA-N    		 C[S](=O)(=O)N1CCC(O)CC1; CS(=O)(=O)N1CCC
    (CC1)O; OC1CCN(CC1)S(=O)(C)=O    		 1-(methanesulfonyl)piperidin-4-ol
    27595
    LPV    		 0 C24 H34 N2 O3 InChI=1S/C24H34N2O3/c1-3-
    4-8-19-11-13-22(14-12-19)
    29-16-15-21(17-20-9-6-5-7
    -10-20)26-24(28)23(27)18(
    2)25/h5-7,9-14,18,21,23,2
    7H,3-4,8,15-17,25H2,1-2H3
    ,(H,26,28)/t18-,21-,23+/m
    0/s1;
    NJJDDOXTSSONSJ-AVCGJXAMSA-N    		 CCCCc1ccc(OCC[CH](Cc2ccccc2)NC(=O)[CH](O
    )[CH](C)N)cc1; CCCCc1ccc(cc1)OCC[C@@H](C
    c2ccccc2)NC(=O)[C@@H]([C@H](C)N)O; CCCCc
    1ccc(OCC[C@@H](Cc2ccccc2)NC(=O)[C@H](O)[
    C@H](C)N)cc1; CCCCc1ccc(cc1)OCCC(Cc2cccc
    c2)NC(=O)C(C(C)N)O    		 (2~{R},3~{S})-3-azanyl-~{N}-[(2~{R})-4-(4-butylphenoxy)-1-phenyl-butan-2-yl]-2-oxidanyl-butanamide
    27596
    LPW
    CHEMBL584365
    ZINC000045321374    		 2 C21 H19 N O5 S InChI=1S/C21H19NO5S/c1-27
    -18-10-6-15(7-11-18)16-8-
    12-19(13-9-16)28(25,26)20
    -5-3-2-4-17(20)14-21(23)2
    2-24/h2-13,24H,14H2,1H3,(
    H,22,23);
    DJZNIZCARKSSDE-UHFFFAOYSA-N    		 COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)c3ccccc
    3CC(=O)NO; COc1ccc(cc1)c2ccc(cc2)S(=O)(=
    O)c3ccccc3CC(=O)NO    		 2-[2-[4-(4-methoxyphenyl)phenyl]sulfonylphenyl]-~{N}-oxidanyl-ethanamide
    27597
    LPX
    ZINC000032840705    		 28 C21 H44 N O7 P InChI=1S/C21H44NO7P/c1-2-
    3-4-5-6-7-8-9-10-11-12-13
    -14-15-21(24)27-18-20(23)
    19-29-30(25,26)28-17-16-2
    2/h20,23H,2-19,22H2,1H3,(
    H,25,26)/t20-/m0/s1;
    YVYMBNSKXOXSKW-FQEVSTJZSA-N    		 O=C(OCC(O)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC
    ; CCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@](=O
    )(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OCC(COP(
    =O)(O)OCCN)O; CCCCCCCCCCCCCCCC(=O)OC[C@H
    ](O)CO[P@@](O)(=O)OCCN; CCCCCCCCCCCCCCCC
    (=O)OC[CH](O)CO[P](O)(=O)OCCN    		 (2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-hydroxypropyl hexadecanoate
    27598
    LPY
    ZINC000263620935    		 2 C22 H43 O12 P InChI=1S/C22H43O12P/c1-2-
    3-4-5-6-7-8-9-10-11-12-16
    (24)32-13-15(23)14-33-35(
    30,31)34-22-20(28)18(26)1
    7(25)19(27)21(22)29/h15,1
    7-23,25-29H,2-14H2,1H3,(H
    ,30,31)/t15-,17-,18-,19+,
    20-,21-,22-/m1/s1;
    QGSQXOJTKFYHRK-FBYKMOGESA-N    		 CCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(
    C(C1O)O)O)O)O)O; CCCCCCCCCCCCC(=O)OC[C@@
    H](O)CO[P](O)(=O)O[C@H]1[C@H](O)[C@@H](O
    )[C@H](O)[C@@H](O)[C@H]1O; CCCCCCCCCCCCC
    (=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C(
    [C@H]([C@H]1O)O)O)O)O)O; CCCCCCCCCCCCC(=
    O)OC[CH](O)CO[P](O)(=O)O[CH]1[CH](O)[CH]
    (O)[CH](O)[CH](O)[CH]1O; P(OC1C(O)C(O)C(
    O)C(O)C1O)(O)(=O)OCC(O)COC(=O)CCCCCCCCCC
    CC    		 (2R)-2-hydroxy-3-{[(S)-hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl]oxy}propyl tridecanoate;
    sn-1-tridecanoyl-phosphatidylinositol
    27599
    LPZ    		 4 C14 H21 N2 O2 InChI=1S/C14H20N2O2/c1-12
    -3-5-13(6-4-12)18-11-14(1
    7)16-9-7-15(2)8-10-16/h3-
    6H,7-11H2,1-2H3/p+1;
    GIIIJZOPGUFGBF-UHFFFAOYSA-O    		 C[NH+]1CCN(CC1)C(=O)COc2ccc(C)cc2; Cc1cc
    c(cc1)OCC(=O)N2CC[NH+](CC2)C    		 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
    27600
    LQ0    		 1 C16 H14 Cl N3 O InChI=1S/C16H14ClN3O/c1-1
    1-4-6-18-9-14(11)19-16(21
    )10-20-7-5-12-2-3-13(17)8
    -15(12)20/h2-9H,10H2,1H3,
    (H,19,21);
    YPZKHKYPLKRQED-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cn2ccc3ccc(Cl)cc23; Cc1cc
    ncc1NC(=O)Cn2ccc3c2cc(cc3)Cl; Cc1ccncc1N
    C(=O)Cn1ccc2ccc(Cl)cc21    		 2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    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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