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

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