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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
    32601 LTL
    DB03711    		 1 C8 H16 O2 InChI=1S/C8H16O2/c1-4-7(9
    )5-6-8(2,3)10/h10H,4-6H2,
    1-3H3;
    FGPMBONEKHYAHO-UHFFFAOYSA-N    		 CCC(=O)CCC(C)(C)O; O=C(CC)CCC(O)(C)C 6-HYDROXY-6-METHYL-HEPTAN-3-ONE
    32602 LTM
    ZINC000095920947    		 2 C8 H14 N2 O5 InChI=1S/C8H14N2O5/c1-3(1
    2)9-5-7(14)6(13)4(2-11)10
    -8(5)15/h4-7,11,13-14H,2H
    2,1H3,(H,9,12)(H,10,15)/t
    4-,5-,6-,7-/m1/s1;
    DLGBPZFGIMUEIM-DBRKOABJSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](NC1=O)C
    O)O)O; CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO
    )NC1=O; CC(=O)NC1C(C(C(NC1=O)CO)O)O; O=C
    1NC(CO)C(O)C(O)C1NC(=O)C; CC(=O)N[C@@H]1
    [C@@H](O)[C@H](O)[C@@H](CO)NC1=O    		 N-ACETYL GLUCONOLACTAM
    32603 LTN
    CHEMBL227123
    DB04537
    ZINC000000057505    		 7 C11 H13 N3 O InChI=1S/C11H13N3O/c12-9(
    11(13)15)5-7-6-14-10-4-2-
    1-3-8(7)10/h1-4,6,9,14H,5
    ,12H2,(H2,13,15)/t9-/m0/s
    1;
    JLSKPBDKNIXMBS-VIFPVBQESA-N    		 c1ccc2c(c1)c(c[nH]2)CC(C(=O)N)N; O=C(N)C
    (N)Cc2c1ccccc1nc2; N[C@@H](Cc1c[nH]c2ccc
    cc12)C(N)=O; N[CH](Cc1c[nH]c2ccccc12)C(N
    )=O; c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)N)
    N    		 L-TRYPTOPHANAMIDE
    32604 LTO
    CHEMBL5207713    		 1 C18 H23 N3 O2 InChI=1S/C18H23N3O2/c22-1
    8(20-23)6-5-14-7-10-21(11
    -8-14)12-9-15-13-19-17-4-
    2-1-3-16(15)17/h1-6,13-14
    ,19,23H,7-12H2,(H,20,22)/
    b6-5+;
    ULPMTANVOCUWOD-AATRIKPKSA-N    		 c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)C=CC(=O)
    NO; ONC(=O)/C=C/C1CCN(CCc2c[NH]c3ccccc23
    )CC1; c1ccc2c(c1)c(c[nH]2)CCN3CCC(CC3)/C
    =C/C(=O)NO; ONC(=O)\C=C\C1CCN(CC1)CCc2c[
    nH]c3ccccc23; ONC(=O)C=CC1CCN(CC1)CCc2c[
    nH]c3ccccc23    		 (2E)-N-hydroxy-3-{1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl}prop-2-enamide
    32605 LTP
    ZINC000013435046    		 2 C9 H15 N3 O10 P2 InChI=1S/C9H15N3O10P2/c10
    -7-1-2-12(9(14)11-7)8-3-5
    (13)6(21-8)4-20-24(18,19)
    22-23(15,16)17/h1-2,5-6,8
    ,13H,3-4H2,(H,18,19)(H2,1
    0,11,14)(H2,15,16,17)/t5-
    ,6+,8+/m1/s1;
    FTDHDKPUHBLBTL-CHKWXVPMSA-N    		 C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O
    )(O)O)O; C1[C@H]([C@@H](O[C@@H]1N2C=CC(=
    NC2=O)N)COP(=O)(O)OP(=O)(O)O)O; NC1=NC(=
    O)N(C=C1)[C@@H]2C[C@@H](O)[C@H](CO[P](O)
    (=O)O[P](O)(O)=O)O2; NC1=NC(=O)N(C=C1)[C
    H]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O
    )O2; O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C
    (N)C=C1)CC2O    		 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one
    32606 LTQ
    CHEMBL3770935
    ZINC000263621088    		 2 C16 H21 N5 O4 S2 InChI=1S/C16H21N5O4S2/c1-
    12-8-13(9-17)2-3-14(12)19
    -4-6-20(7-5-19)27(24,25)2
    1-11-26-10-15(21)16(22)18
    -23/h2-3,8,15,23H,4-7,10-
    11H2,1H3,(H,18,22)/t15-/m
    1/s1;
    UGVOWFLXYXPRQV-OAHLLOKOSA-N    		 Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N3CSCC3C(=O
    )NO)C#N; O=C(NO)C1CSCN1S(=O)(N2CCN(CC2)c
    3c(cc(cc3)C#N)C)=O; Cc1cc(ccc1N2CCN(CC2)
    [S](=O)(=O)N3CSC[C@@H]3C(=O)NO)C#N; Cc1c
    c(ccc1N2CCN(CC2)[S](=O)(=O)N3CSC[CH]3C(=
    O)NO)C#N; Cc1cc(ccc1N2CCN(CC2)S(=O)(=O)N
    3CSC[C@@H]3C(=O)NO)C#N    		 (4S)-3-{[4-(4-cyano-2-methylphenyl)piperazin-1-yl]sulfonyl}-N-hydroxy-1,3-thiazolidine-4-carboxamide
    32607 LTR
    CHEMBL54976
    DB00150    		 0 C11 H12 N2 O2 InChI=1/C11H12N2O2/c12-9(
    11(14)15)5-7-6-13-10-4-2-
    1-3-8(7)10/h1-4,6,9,13H,5
    ,12H2,(H,14,15)/t9-/m0/s1
    /f/h14H;
    QIVBCDIJIAJPQS-FKOBDKTLDJ    		 O=C(O)C(N)Cc2c1ccccc1nc2; c1ccc2c(c1)c(c
    [nH]2)C[C@@H](C(=O)O)N; c1ccc2c(c1)c(c[n
    H]2)CC(C(=O)O)N; N[CH](Cc1c[nH]c2ccccc12
    )C(O)=O; N[C@@H](Cc1c[nH]c2ccccc12)C(O)=
    O    		 L-TRYPTOPHAN
    32608 LTS
    CHEMBL3098609
    ZINC000095920724    		 2 C21 H16 F3 N5 O3 S InChI=1S/C21H16F3N5O3S/c2
    2-21(23,24)32-17-2-1-3-19
    (12-17)33(30,31)18-6-4-15
    (5-7-18)13-27-20(28-14-25
    )29-16-8-10-26-11-9-16/h1
    -12H,13H2,(H2,26,27,28,29
    );
    OSHZYJJYBZWSLR-UHFFFAOYSA-N    		 FC(F)(F)Oc1cccc(c1)[S](=O)(=O)c2ccc(CNC(
    Nc3ccncc3)=NC#N)cc2; c1cc(cc(c1)S(=O)(=O
    )c2ccc(cc2)CN/C(=N\C#N)/Nc3ccncc3)OC(F)(
    F)F; FC(F)(F)Oc1cc(ccc1)S(=O)(=O)c2ccc(c
    c2)CN/C(=N\C#N)Nc3ccncc3; c1cc(cc(c1)S(=
    O)(=O)c2ccc(cc2)CNC(=NC#N)Nc3ccncc3)OC(F
    )(F)F    		 2-cyano-1-pyridin-4-yl-3-(4-{[3-(trifluoromethoxy)phenyl]sulfonyl}benzyl)guanidine
    32609 LTT
    CHEMBL359164
    DB04961
    ZINC000001642845    		 2 C8 H11 N3 O4 InChI=1S/C8H11N3O4/c9-5-1
    -2-11(8(13)10-5)6-4-14-7(
    3-12)15-6/h1-2,6-7,12H,3-
    4H2,(H2,9,10,13)/t6-,7-/m
    0/s1;
    RXRGZNYSEHTMHC-BQBZGAKWSA-N    		 C1C(OC(O1)CO)N2C=CC(=NC2=O)N; O=C1N=C(N)
    C=CN1C2OC(OC2)CO; C1[C@H](O[C@H](O1)CO)N
    2C=CC(=NC2=O)N; NC1=NC(=O)N(C=C1)[C@@H]2
    CO[C@H](CO)O2; NC1=NC(=O)N(C=C1)[CH]2CO[
    CH](CO)O2    		 4-AMINO-1-[(2S,4S)-2-(HYDROXYMETHYL)-1,3-DIOXOLAN-4-YL]PYRIMIDIN-2(1H)-ONE;
    (-)-L-2',3'-DIDEOXY-3'-OXACYTIDINE;
    TROXACITABINE;
    TROXATYL
    32610 LTU 0 C16 H20 N2 O4 InChI=1S/C16H20N2O4/c1-16
    (2,12-8-22-12)18-7-10(14(
    19)13(17)15(20)21)9-5-3-4
    -6-11(9)18/h3-7,12-14,19H
    ,8,17H2,1-2H3,(H,20,21)/t
    12-,13+,14-/m1/s1;
    RPWCRDPTKUYOFA-HZSPNIEDSA-N    		 CC(C)([C@H]1CO1)n2cc(c3c2cccc3)[C@H]([C@
    @H](C(=O)O)N)O; CC(C)([CH]1CO1)n2cc([CH]
    (O)[CH](N)C(O)=O)c3ccccc23; CC(C)([C@H]1
    CO1)n2cc([C@@H](O)[C@H](N)C(O)=O)c3ccccc
    23; CC(C)(C1CO1)n2cc(c3c2cccc3)C(C(C(=O)
    O)N)O    		 2-Amino-3-hydroxy-3-[1-[2-(oxiran-2-yl)propan-2-yl]indol-3-yl]propanoic acid;
    (2~{S},3~{R})-2-azanyl-3-oxidanyl-3-[1-[2-[(2~{S})-oxiran-2-yl]propan-2-yl]indol-3-yl]propanoic acid
    32611 LTV 30 C46 H90 O5 InChI=1S/C46H90O5/c1-3-5-
    7-9-11-13-15-17-19-20-21-
    22-23-24-25-27-29-31-33-3
    5-37-39-41-46(49)51-43-44
    (47)42-50-45(48)40-38-36-
    34-32-30-28-26-18-16-14-1
    2-10-8-6-4-2/h44,47H,3-43
    H2,1-2H3/t44-/m0/s1;
    XHUXLZVWHLYNKB-SJARJILFSA-N    		 CCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COC
    (=O)CCCCCCCCCCCCCCCCC)O; CCCCCCCCCCCCCCC
    CCCCCCCCCC(=O)OC[C@@H](O)COC(=O)CCCCCCCC
    CCCCCCCCC; O=C(OCC(O)COC(=O)CCCCCCCCCCCC
    CCCCC)CCCCCCCCCCCCCCCCCCCCCCCC; CCCCCCCC
    CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC
    CCCCCCCCC)O; CCCCCCCCCCCCCCCCCCCCCCCCC(=
    O)OC[CH](O)COC(=O)CCCCCCCCCCCCCCCCC    		 2-hydroxy-3-(octadecanoyloxy)propyl pentacosanoate
    32612 LTW 1 C31 H31 N5 O6 InChI=1S/C31H31N5O6/c1-20
    (37)21-5-6-27(42-11-9-36-
    16-31(17-36)18-40-19-31)2
    6(15-21)33-29(38)23-12-22
    (25-7-8-35(2)34-25)13-24(
    14-23)32-30(39)28-4-3-10-
    41-28/h3-8,10,12-15H,9,11
    ,16-19H2,1-2H3,(H,32,39)(
    H,33,38);
    VJMNNCAJWFIBNF-UHFFFAOYSA-N    		 CC(=O)c1ccc(c(c1)NC(=O)c2cc(cc(c2)NC(=O)
    c3ccco3)c4ccn(n4)C)OCCN5CC6(C5)COC6; Cn1
    ccc(n1)c2cc(NC(=O)c3occc3)cc(c2)C(=O)Nc4
    cc(ccc4OCCN5CC6(COC6)C5)C(C)=O    		 ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
    32613 LTX
    CHEMBL451509
    DB08855
    ZINC000004095814    		 15 C30 H47 N3 O9 S InChI=1S/C30H47N3O9S/c1-2
    -3-4-5-6-7-8-9-10-11-12-1
    3-16-25(24(34)15-14-17-27
    (36)37)43-21-23(29(40)32-
    20-28(38)39)33-26(35)19-1
    8-22(31)30(41)42/h6-7,9-1
    3,16,22-25,34H,2-5,8,14-1
    5,17-21,31H2,1H3,(H,32,40
    )(H,33,35)(H,36,37)(H,38,
    39)(H,41,42)/b7-6-,10-9-,
    12-11+,16-13+/t22-,23-,24
    -,25+/m0/s1;
    GWNVDXQDILPJIG-NXOLIXFESA-N    		 CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC
    (=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[
    C@@H](C(=O)O)N; CCCCC\C=C/C\C=C/C=C/C=C/
    [C@@H](SC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(
    =O)NCC(O)=O)[C@@H](O)CCCC(O)=O; CCCCCC=C
    CC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O
    )=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O; CCCC
    CC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(C(=O)N
    CC(=O)O)NC(=O)CCC(C(=O)O)N    		 (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-( 2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid;
    Leukotriene C4
    32614 LTY
    CHEMBL3950656    		 4 C22 H23 N7 O InChI=1S/C22H23N7O/c23-13
    -15-4-9-28(10-5-15)20-12-
    18-16(3-1-6-24-18)11-19(2
    0)27-22(30)17-14-26-29-8-
    2-7-25-21(17)29/h1-3,6-8,
    11-12,14-15H,4-5,9-10,13,
    23H2,(H,27,30);
    BFBOXYLGKAPSFY-UHFFFAOYSA-N    		 NCC1CCN(CC1)c2cc3ncccc3cc2NC(=O)c4cnn5cc
    cnc45; c4c(NC(c1c2n(nc1)cccn2)=O)c(N3CCC
    (CC3)CN)cc5c4cccn5; c1cc2cc(c(cc2nc1)N3C
    CC(CC3)CN)NC(=O)c4cnn5c4nccc5    		 N-{7-[4-(aminomethyl)piperidin-1-yl]quinolin-6-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
    32615 LTZ
    CHEMBL2398242
    ZINC000096908704    		 2 C36 H43 Cl2 N5 O3 S InChI=1S/C36H43Cl2N5O3S/c
    1-7-28-16-17-29(33(45)40-
    18-19-41(23(5)44)22(4)20-
    40)42(28)34(46)31-30(21(2
    )3)43-32(24-8-12-26(37)13
    -9-24)36(6,39-35(43)47-31
    )25-10-14-27(38)15-11-25/
    h8-15,21-22,28-29,32H,7,1
    6-20H2,1-6H3/t22-,28-,29+
    ,32-,36+/m1/s1;
    NYMONQQQYOURJF-GTVZXTIFSA-N    		 CCC1CCC(N1C(=O)C2=C(N3C(C(N=C3S2)(C)c4cc
    c(cc4)Cl)c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN(C
    (C6)C)C(=O)C; CC[C@@H]1CC[C@H](N1C(=O)C2
    =C(N3[C@@H]([C@](N=C3S2)(C)c4ccc(cc4)Cl)
    c5ccc(cc5)Cl)C(C)C)C(=O)N6CCN([C@@H](C6)
    C)C(=O)C; CC[CH]1CC[CH](N1C(=O)C2=C(C(C)
    C)N3[CH](c4ccc(Cl)cc4)[C](C)(N=C3S2)c5cc
    c(Cl)cc5)C(=O)N6CCN([CH](C)C6)C(C)=O; CC
    [C@@H]1CC[C@H](N1C(=O)C2=C(C(C)C)N3[C@H]
    (c4ccc(Cl)cc4)[C@@](C)(N=C3S2)c5ccc(Cl)c
    c5)C(=O)N6CCN([C@H](C)C6)C(C)=O; O=C(N6C
    (C)CN(C(=O)C5N(C(=O)C=3SC4=NC(c1ccc(Cl)c
    c1)(C(c2ccc(Cl)cc2)N4C=3C(C)C)C)C(CC)CC5
    )CC6)C    		 (5R,6S)-2-[((2S,5R)-2-{[(3R)-4-acetyl-3-methylpiperazin-1-yl]carbonyl}-5-ethylpyrrolidin-1-yl)carbonyl]-5,6-bis(4-chlorophenyl)-3-isopropyl-6-methyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
    32616 LU 1 Lu InChI=1S/Lu/q+3;
    PSDMOPINLDTFSZ-UHFFFAOYSA-N    		 [Lu+3] LUTETIUM (III) ION;
    LU
    32617 LU0 2 C6 H14 N2 O4 S InChI=1S/C6H14N2O4S/c1-4(
    2)3-5(6(9)10)8-13(7,11)12
    /h4-5,8H,3H2,1-2H3,(H,9,1
    0)(H2,7,11,12)/t5-/m0/s1;
    WYJHWWUFTZEBIK-YFKPBYRVSA-N    		 CC(C)C[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C[
    C@@H](C(=O)O)NS(=O)(=O)N; CC(C)CC(C(=O)O
    )NS(=O)(=O)N; CC(C)C[C@H](N[S](N)(=O)=O)
    C(O)=O    		 Sulphamoil Leucine
    32618 LU1
    ZINC000098209131    		 1 C26 H24 F N5 O5 InChI=1S/C26H24FN5O5/c1-1
    4-22-24(30-12-29-14)32(13
    -31-22)26-21(34)11-18(37-
    26)3-2-8-28-25(36)19-9-16
    (10-20(33)23(19)35)15-4-6
    -17(27)7-5-15/h2-7,9-10,1
    2-13,18,21,26,33-35H,8,11
    H2,1H3,(H,28,36)/b3-2+/t1
    8-,21-,26-/m1/s1;
    NFOSSDOJFGCEOO-DEAZYUCPSA-N    		 Cc1ncnc2n(cnc12)[C@@H]3O[C@@H](C[C@H]3O)
    \C=C\CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5; C
    c1c2c(ncn1)n(cn2)[C@H]3[C@@H](C[C@H](O3)
    /C=C/CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O;
    Fc1ccc(cc1)c2cc(c(O)c(O)c2)C(=O)NC/C=C/
    C5OC(n4cnc3c(ncnc34)C)C(O)C5; Cc1c2c(ncn
    1)n(cn2)C3C(CC(O3)C=CCNC(=O)c4cc(cc(c4O)
    O)c5ccc(cc5)F)O; Cc1ncnc2n(cnc12)[CH]3O[
    CH](C[CH]3O)C=CCNC(=O)c4cc(cc(O)c4O)c5cc
    c(F)cc5    		 4'-fluoro-4,5-dihydroxy-N-{(2E)-3-[(2S,4R,5R)-4-hydroxy-5-(6-methyl-9H-purin-9-yl)tetrahydrofuran-2-yl]prop-2-en-1-yl}biphenyl-3-carboxamide
    32619 LU2
    CHEMBL151
    DB15584
    ZINC000018185774    		 26 C15 H10 O6 InChI=1S/C15H10O6/c16-8-4
    -11(19)15-12(20)6-13(21-1
    4(15)5-8)7-1-2-9(17)10(18
    )3-7/h1-6,16-19H;
    IQPNAANSBPBGFQ-UHFFFAOYSA-N    		 Oc1cc(O)c2C(=O)C=C(Oc2c1)c3ccc(O)c(O)c3;
    c1cc(c(cc1C2=CC(=O)c3c(cc(cc3O2)O)O)O)O
    ; O=C1c3c(OC(=C1)c2ccc(O)c(O)c2)cc(O)cc3
    O    		 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one;
    Luteolin
    32620 LU3
    ZINC000002584866    		 0 C4 H6 N2 S InChI=1S/C4H6N2S/c5-3-4-6
    -1-2-7-4/h1-2H,3,5H2;
    JOZSYOPADROCMP-UHFFFAOYSA-N    		 c1csc(n1)CN; NCc1sccn1 1,3-thiazol-2-ylmethanamine
    32621 LU5 4 C23 H19 N5 O4 InChI=1S/C23H19N5O4/c1-13
    -9-18-19(5-3-6-20(18)28-2
    7-13)26-22(30)15-10-16(24
    -14(2)29)12-17(11-15)25-2
    3(31)21-7-4-8-32-21/h3-12
    H,1-2H3,(H,24,29)(H,25,31
    )(H,26,30);
    KNUFZYGMIQUYJP-UHFFFAOYSA-N    		 CC(=O)Nc1cc(NC(=O)c2occc2)cc(c1)C(=O)Nc3
    cccc4nnc(C)cc34; Cc1cc2c(cccc2NC(=O)c3cc
    (cc(c3)NC(=O)c4ccco4)NC(=O)C)nn1    		 ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide
    32622 LU7
    CHEMBL1098240
    ZINC000003934756    		 3 C29 H52 N10 O6 InChI=1S/C29H52N10O6/c30-
    22(7-4-15-38-29(32)33)27(
    44)36-16-6-13-35-12-5-11-
    34-10-2-1-3-14-37-28(45)2
    3(19-25(31)42)39-26(43)17
    -20-8-9-21(40)18-24(20)41
    /h8-9,18,22-23,34-35,40-4
    1H,1-7,10-17,19,30H2,(H2,
    31,42)(H,36,44)(H,37,45)(
    H,39,43)(H4,32,33,38)/t22
    -,23-/m0/s1;
    FTNICLJXPYLDAH-GOTSBHOMSA-N    		 [H]/N=C(\N)/NCCC[C@@H](C(=O)NCCCNCCCNCCC
    CCNC(=O)[C@H](CC(=O)N)NC(=O)Cc1ccc(cc1O)
    O)N; N[CH](CCCNC(N)=N)C(=O)NCCCNCCCNCCCC
    CNC(=O)[CH](CC(N)=O)NC(=O)Cc1ccc(O)cc1O;
    c1cc(c(cc1O)O)CC(=O)NC(CC(=O)N)C(=O)NCC
    CCCNCCCNCCCNC(=O)C(CCCNC(=N)N)N; N[C@@H]
    (CCCNC(N)=N)C(=O)NCCCNCCCNCCCCCNC(=O)[C@
    H](CC(N)=O)NC(=O)Cc1ccc(O)cc1O; Oc1cc(O)
    ccc1CC(=O)NC(CC(N)=O)C(=O)NCCCCCNCCCNCCC
    NC(=O)C(N)CCCN\C(=N)N    		 N~1~-{5-[(3-{[3-(L-arginylamino)propyl]amino}propyl)amino]pentyl}-N~2~-[(2,4-dihydroxyphenyl)acetyl]-L-aspartamide;
    Argiotoxin 636
    32623 LU8
    CHEMBL4633241    		 174 C27 H32 N2 O3 InChI=1S/C27H32N2O3/c1-18
    -23(21-8-6-19(7-9-21)20-1
    0-12-29(2)13-11-20)16-28-
    17-24(18)22-14-25(30-3)27
    (32-5)26(15-22)31-4/h6-9,
    14-17,20H,10-13H2,1-5H3;
    CNEAZWBYXISKKK-UHFFFAOYSA-N    		 Cc1c(cncc1c2cc(c(c(c2)OC)OC)OC)c3ccc(cc3
    )C4CCN(CC4)C; COc1cc(cc(OC)c1OC)c2cncc(c
    2C)c3ccc(cc3)C4CCN(C)CC4    		 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine
    32624 LU9 2 C93 H164 N2 O39 P2 InChI=1S/C93H168N2O39P2/c
    1-6-11-16-21-26-30-34-38-
    43-48-64(99)55-77(108)129
    -86-78(94-72(103)54-63(98
    )47-42-37-33-29-24-19-14-
    9-4)89(134-136(119,120)12
    1)126-70(82(86)111)61-123
    -88-79(95-73(104)56-65(49
    -44-39-35-31-27-22-17-12-
    7-2)125-75(106)51-46-41-3
    6-32-28-23-18-13-8-3)87(1
    28-76(107)52-53-122-74(10
    5)50-45-40-25-20-15-10-5)
    85(133-135(116,117)118)71
    (127-88)62-124-92(90(112)
    113)58-69(81(110)84(131-9
    2)68(102)60-97)130-93(91(
    114)115)57-66(100)80(109)
    83(132-93)67(101)59-96/h6
    3-71,78-89,96-102,109-111
    H,6-62H2,1-5H3,(H,94,103)
    (H,95,104)(H,112,113)(H,1
    14,115)(H2,116,117,118)(H
    2,119,120,121)/p-4/t63-,6
    4+,65-,66-,67-,68-,69-,70
    -,71-,78-,79-,80-,81-,82-
    ,83-,84-,85-,86-,87-,88-,
    89-,92-,93-/m1/s1;
    VKIJVPHKEVBYMR-HZMIYFLPSA-J    		 CCCCCCCCCCCC(CC(=O)OC1C(C(OC(C1O)COC2C(C
    (C(C(O2)COC3(CC(C(C(O3)C(CO)O)O)OC4(CC(C
    (C(O4)C(CO)O)O)O)C(=O)O)C(=O)O)OP(=O)([O
    -])[O-])OC(=O)CCOC(=O)CCCCCCCC)NC(=O)CC(
    CCCCCCCCCCC)OC(=O)CCCCCCCCCCC)OP(=O)([O-
    ])[O-])NC(=O)CC(CCCCCCCCCC)O)O; CCCCCCCC
    CCC[C@H](O)CC(=O)O[C@H]1[C@H](O)[C@@H](C
    O[C@@H]2O[C@H](CO[C@@]3(C[C@@H](O[C@@]4(
    C[C@@H](O)[C@@H](O)[C@H](O4)[C@H](O)CO)C
    (O)=O)[C@@H](O)[C@H](O3)[C@H](O)CO)C(O)=
    O)[C@@H](O[P]([O-])([O-])=O)[C@H](OC(=O)
    CCOC(=O)CCCCCCCC)[C@H]2NC(=O)C[C@@H](CCC
    CCCCCCCC)OC(=O)CCCCCCCCCCC)O[C@H](O[P]([
    O-])([O-])=O)[C@@H]1NC(=O)C[C@H](O)CCCCC
    CCCCC; CCCCCCCCCCC[C@@H](CC(=O)O[C@@H]1[
    C@H]([C@H](O[C@@H]([C@H]1O)CO[C@H]2[C@@H
    ]([C@H]([C@@H]([C@H](O2)CO[C@@]3(C[C@H](
    [C@H]([C@H](O3)[C@@H](CO)O)O)O[C@@]4(C[C
    @H]([C@H]([C@H](O4)[C@@H](CO)O)O)O)C(=O)
    O)C(=O)O)OP(=O)([O-])[O-])OC(=O)CCOC(=O)
    CCCCCCCC)NC(=O)C[C@@H](CCCCCCCCCCC)OC(=O
    )CCCCCCCCCCC)OP(=O)([O-])[O-])NC(=O)C[C@
    @H](CCCCCCCCCC)O)O; CCCCCCCCCCC[CH](O)CC
    (=O)O[CH]1[CH](O)[CH](CO[CH]2O[CH](CO[C]
    3(C[CH](O[C]4(C[CH](O)[CH](O)[CH](O4)[CH
    ](O)CO)C(O)=O)[CH](O)[CH](O3)[CH](O)CO)C
    (O)=O)[CH](O[P]([O-])([O-])=O)[CH](OC(=O
    )CCOC(=O)CCCCCCCC)[CH]2NC(=O)C[CH](CCCCC
    CCCCCC)OC(=O)CCCCCCCCCCC)O[CH](O[P]([O-]
    )([O-])=O)[CH]1NC(=O)C[CH](O)CCCCCCCCCC    		 [(2R,3S,4R,5R,6R)-2-[[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-4-[(2R,4R,5R,6R)-6-[(1R)-1,2-bis(oxidanyl)ethyl]-2-carboxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-2-carboxy-5-oxidanyl-oxan-2-yl]oxymethyl]-5-[[(3R)-3-dodecanoyloxytetradecanoyl]amino]-4-(3-nonanoyloxypropanoyloxy)-6-[[(2R,3S,4R,5R,6R)-3-oxidanyl-4-[(3S)-3-oxidanyltetradecanoyl]oxy-5-[[(3R)-3-oxidanyltridecanoyl]amino]-6-phosphonatooxy-oxan-2-yl]methoxy]oxan-3-yl] phosphate;
    LIPOPOLYSACCHARIDE
    32625 LUB 1 C9 H14 O4 InChI=1S/C9H14O4/c1-2-3-7
    -8(9(11)12)6(4-10)5-13-7/
    h7,10H,2-5H2,1H3,(H,11,12
    )/t7-/m0/s1;
    ZQVNOVXAPYHZNS-ZETCQYMHSA-N    		 CCC[C@H]1C(=C(CO1)CO)C(=O)O; CCC[C@@H]1O
    CC(=C1C(O)=O)CO; CCCC1C(=C(CO1)CO)C(=O)O
    ; CCC[CH]1OCC(=C1C(O)=O)CO    		 4-(Hydroxymethyl)-2-propylfuran-3-carboxylic acid
    32626 LUC 1 C17 H16 Cl N3 O3 InChI=1S/C17H16ClN3O3/c1-
    10-2-3-19-9-14(10)20-15(2
    2)6-11-4-12(18)7-13(5-11)
    24-17-8-16(23)21-17/h2-5,
    7,9,17H,6,8H2,1H3,(H,20,2
    2)(H,21,23)/t17-/m1/s1;
    JCZDGTYSQGAPDN-QGZVFWFLSA-N    		 Cc1ccncc1NC(=O)Cc2cc(Cl)cc(O[CH]3CC(=O)N
    3)c2; Cc1ccncc1NC(=O)Cc1cc(Cl)cc(OC2CC(=
    O)N2)c1; Cc1ccncc1NC(=O)Cc2cc(cc(c2)Cl)O
    C3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc(cc(c2)C
    l)O[C@@H]3CC(=O)N3; Cc1ccncc1NC(=O)Cc2cc
    (Cl)cc(O[C@@H]3CC(=O)N3)c2    		 2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide
    32627 LUD
    CHEMBL1233930    		 1 C20 H21 N7 O7 InChI=1S/C20H21N7O7/c21-1
    9-24-15-14(17(31)25-19)27
    -11(7-22-15)8-26(20(27)34
    )10-3-1-9(2-4-10)16(30)23
    -12(18(32)33)5-6-13(28)29
    /h1-4,11-12H,5-8H2,(H,23,
    30)(H,28,29)(H,32,33)(H4,
    21,22,24,25,31)/t11-,12+/
    m1/s1;
    JSNFRYBHBVDHSG-NEPJUHHUSA-N    		 c1cc(ccc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)N2
    C[C@H]3CNC4=C(N3C2=O)C(=O)NC(=N4)N; NC1=
    NC2=C(N3[CH](CN2)CN(C3=O)c4ccc(cc4)C(=O)
    N[CH](CCC(O)=O)C(O)=O)C(=O)N1; NC1=NC2=C
    (N3[C@H](CN2)CN(C3=O)c4ccc(cc4)C(=O)N[C@
    @H](CCC(O)=O)C(O)=O)C(=O)N1; N=4C2=C(N3C
    (N(c1ccc(cc1)C(NC(C(=O)O)CCC(O)=O)=O)CC3
    CN2)=O)C(=O)NC=4N; c1cc(ccc1C(=O)NC(CCC(
    =O)O)C(=O)O)N2CC3CNC4=C(N3C2=O)C(=O)NC(=
    N4)N    		 N-{4-[(6aR)-3-amino-1,9-dioxo-1,2,5,6,6a,7-hexahydroimidazo[1,5-f]pteridin-8(9H)-yl]benzene-1-carbonyl}-L-glutamic acid
    32628 LUE
    CHEMBL4753164    		 1 C22 H24 N10 O InChI=1S/C22H24N10O/c1-13
    -24-20(21-28-27-14(2)33-2
    1)19-10-15(7-9-32(13)19)2
    5-22-23-8-6-17(26-22)18-1
    1-16(12-30(3)4)31(5)29-18
    /h6-11H,12H2,1-5H3,(H,23,
    25,26);
    PAZNLQHSWVMGIW-UHFFFAOYSA-N    		 CN(C)Cc1cc(nn1C)c2ccnc(Nc3ccn4c(C)nc(c5o
    c(C)nn5)c4c3)n2; Cc1nc(c2n1ccc(c2)Nc3ncc
    c(n3)c4cc(n(n4)C)CN(C)C)c5nnc(o5)C    		 ~{N}-[4-[5-[(dimethylamino)methyl]-1-methyl-pyrazol-3-yl]pyrimidin-2-yl]-3-methyl-1-(5-methyl-1,3,4-oxadiazol-2-yl)imidazo[1,5-a]pyridin-7-amine
    32629 LUF
    ZINC000005766341    		 2 C25 H38 O3 InChI=1S/C25H38O3/c1-18(1
    1-7-13-21-17-23(26)28-24(
    21)27)9-6-10-19(2)14-15-2
    2-20(3)12-8-16-25(22,4)5/
    h10-11,17,24,27H,6-9,12-1
    6H2,1-5H3/b18-11+,19-10+/
    t24-/m0/s1;
    JPWPYTMXSXYUPG-XKILHPSWSA-N    		 CC1=C(C(CCC1)(C)C)CC/C(=C/CC/C(=C/CCC2=C
    C(=O)O[C@@H]2O)/C)/C; C\C(CC\C=C(C)\CCC1
    =C(C)CCCC1(C)C)=C/CCC2=CC(=O)O[C@@H]2O;
    CC1=C(C(CCC1)(C)C)CCC(=CCCC(=CCCC2=CC(=O
    )OC2O)C)C; CC(CCC=C(C)CCC1=C(C)CCCC1(C)C
    )=CCCC2=CC(=O)O[CH]2O; O=C1OC(O)C(=C1)CC
    /C=C(\C)CC\C=C(/C)CCC2=C(C)CCCC2(C)C    		 (5S)-4-[(3E,7E)-4,8-dimethyl-10-(2,6,6-trimethylcyclohex-1-en-1-yl)deca-3,7-dien-1-yl]-5-hydroxyfuran-2(5H)-one;
    Luffariellolide
    32630 LUG
    CHEMBL485945
    DB08130
    ZINC000034285190    		 1 C16 H13 F3 I N5 O InChI=1S/C16H13F3IN5O/c17
    -10-3-2-9(15-24-25-16(26-
    15)22-6-5-21)14(13(10)19)
    23-12-4-1-8(20)7-11(12)18
    /h1-4,7,23H,5-6,21H2,(H,2
    2,25);
    FPDWDLAITHFTTP-UHFFFAOYSA-N    		 Ic1ccc(c(F)c1)Nc3c(F)c(F)ccc3c2nnc(o2)NC
    CN; c1cc(c(cc1I)F)Nc2c(ccc(c2F)F)c3nnc(o
    3)NCCN; NCCNc1oc(nn1)c2ccc(F)c(F)c2Nc3cc
    c(I)cc3F    		 N-(5-{3,4-difluoro-2-[(2-fluoro-4-iodophenyl)amino]phenyl}-1,3,4-oxadiazol-2-yl)ethane-1,2-diamine
    32631 LUH 4 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-7
    -12(20)9(8(2-16-7)4-28-29
    (23,24)25)3-17-27-6-11-14
    (22)18-10(5-26-15)13(21)1
    9-11/h2-3,10-11,20H,4-6,1
    5H2,1H3,(H,18,22)(H,19,21
    )(H2,23,24,25)/b17-3-/t10
    -,11-/m0/s1;
    HNXGFDLEQUEUAT-GAIAKETDSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[
    CH](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)(
    O)O)C=NOCC2C(=O)NC(C(=O)N2)CON)O; Cc1ncc
    (CO[P](O)(O)=O)c(\C=N/OC[C@@H]2NC(=O)[C@
    H](CON)NC2=O)c1O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N\OC[C@H]2C(=O)N[C@H](C(=O)N2)CON)
    O    		 [4-[(~{Z})-[(2~{S},5~{S})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    32632 LUI
    CHEMBL1851820
    ZINC000034575872    		 4 C22 H25 N3 O3 InChI=1S/C22H25N3O3/c1-14
    (2)12-25-19(11-23)21(15-6
    -4-3-5-7-15)18-10-16(28-1
    3-20(24)26)8-9-17(18)22(2
    5)27/h3-10,14H,11-13,23H2
    ,1-2H3,(H2,24,26);
    GODOFGUHKFCHSR-UHFFFAOYSA-N    		 CC(C)CN1C(=C(c2cc(ccc2C1=O)OCC(=O)N)c3cc
    ccc3)CN; CC(C)CN1C(=O)c2ccc(OCC(N)=O)cc2
    C(=C1CN)c3ccccc3; O=C(N)COc3ccc1c(C(=C(N
    (C1=O)CC(C)C)CN)c2ccccc2)c3    		 2-{[3-(aminomethyl)-2-(2-methylpropyl)-1-oxo-4-phenyl-1,2-dihydroisoquinolin-6-yl]oxy}acetamide;
    TAK-285
    32633 LUJ
    CHEMBL4538701    		 0 C26 H51 N5 O13 InChI=1S/C26H51N5O13/c1-2
    -3-8-12(6-32)40-24(14(30)
    16(8)34)42-21-10(29)4-9(2
    8)17(35)23(21)44-26-20(38
    )22(13(7-33)41-26)43-25-1
    5(31)19(37)18(36)11(5-27)
    39-25/h8-26,32-38H,2-7,27
    -31H2,1H3/t8-,9-,10+,11+,
    12-,13-,14-,15-,16+,17+,1
    8-,19-,20-,21-,22-,23-,24
    -,25-,26+/m1/s1;
    GSHRTHLCTXGYPA-RNNXBIGMSA-N    		 CCC[C@H]1[C@H](O)[C@@H](N)[C@H](O[C@@H]1
    CO)O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O)[C
    @H]2O[C@@H]3O[C@H](CO)[C@@H](O[C@H]4O[C@
    @H](CN)[C@@H](O)[C@H](O)[C@H]4N)[C@H]3O;
    CCCC1C(OC(C(C1O)N)OC2C(CC(C(C2OC3C(C(C(
    O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N)N)CO;
    CCC[CH]1[CH](O)[CH](N)[CH](O[CH]1CO)O[C
    H]2[CH](N)C[CH](N)[CH](O)[CH]2O[CH]3O[CH
    ](CO)[CH](O[CH]4O[CH](CN)[CH](O)[CH](O)[
    CH]4N)[CH]3O; CCCC1C(CO)OC(C(C1O)N)OC2C(
    N)CC(C(C2OC3OC(CO)C(C3O)OC4OC(CN)C(O)C(O
    )C4N)O)N; CCC[C@@H]1[C@H](O[C@@H]([C@@H]
    ([C@H]1O)N)O[C@@H]2[C@H](C[C@H]([C@@H]([
    C@H]2O[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O[
    C@@H]4[C@@H]([C@H]([C@@H]([C@@H](O4)CN)O
    )O)N)O)O)N)N)CO    		 (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxyc yclohexyl 2-amino-2,4-dideoxy-4-propyl-alpha-D-glucopyranoside;
    propylamycin
    32634 LUK 4 C14 H20 N5 O9 P InChI=1S/C14H20N5O9P/c1-7
    -12(20)9(8(2-16-7)4-28-29
    (23,24)25)3-17-27-6-11-14
    (22)18-10(5-26-15)13(21)1
    9-11/h2-3,10-11,20H,4-6,1
    5H2,1H3,(H,18,22)(H,19,21
    )(H2,23,24,25)/b17-3-/t10
    -,11-/m1/s1;
    HNXGFDLEQUEUAT-IZYPQUFVSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(C=NOC[CH]2NC(=O)[
    CH](CON)NC2=O)c1O; Cc1ncc(CO[P](O)(O)=O)
    c(\C=N/OC[C@H]2NC(=O)[C@@H](CON)NC2=O)c1
    O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NOCC2C(=O)
    NC(C(=O)N2)CON)O; Cc1c(c(c(cn1)COP(=O)(O
    )O)/C=N\OC[C@@H]2C(=O)N[C@@H](C(=O)N2)CO
    N)O    		 [4-[(~{Z})-[(2~{R},5~{R})-5-(azanyloxymethyl)-3,6-bis(oxidanylidene)piperazin-2-yl]methoxyiminomethyl]-6-methyl-5-oxidanyl-pyridin-3-yl]methyl dihydrogen phosphate
    32635 LUM
    CHEMBL1234101
    DB04345
    ZINC000012446789    		 15 C12 H10 N4 O2 InChI=1S/C12H10N4O2/c1-5-
    3-7-8(4-6(5)2)14-10-9(13-
    7)11(17)16-12(18)15-10/h3
    -4H,1-2H3,(H2,14,15,16,17
    ,18);
    ZJTJUVIJVLLGSP-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)nc3c(n2)C(=O)NC(=O)N3; Cc1c
    c2nc3NC(=O)NC(=O)c3nc2cc1C; O=C1c2nc3c(n
    c2NC(=O)N1)cc(c(c3)C)C    		 LUMICHROME;
    7,8-DIMETHYLALLOXAZINE;
    6,7-DIMETHYLALLOXAZINE
    32636 LUN
    ZINC000073224359    		 1 C25 H27 F N4 O InChI=1S/C25H27FN4O/c26-1
    8-7-8-21-17(12-18)13-22(2
    8-21)24(31)30-16-25(20-5-
    1-2-6-23(20)30)9-11-29(15
    -25)19-4-3-10-27-14-19/h1
    -2,5-8,12-13,19,27-28H,3-
    4,9-11,14-16H2/t19-,25-/m
    1/s1;
    ABNVVKAVWJYHCL-KBMIEXCESA-N    		 c1ccc2c(c1)C3(CCN(C3)C4CCCNC4)CN2C(=O)c5
    cc6cc(ccc6[nH]5)F; Fc1ccc2[nH]c(cc2c1)C(
    =O)N3C[C@]4(CCN(C4)[C@@H]5CCCNC5)c6ccccc
    36; c1ccc2c(c1)[C@@]3(CC[N@](C3)[C@@H]4C
    CCNC4)CN2C(=O)c5cc6cc(ccc6[nH]5)F; Fc1cc
    c2[nH]c(cc2c1)C(=O)N3C[C]4(CCN(C4)[CH]5C
    CCNC5)c6ccccc36; Fc1cc2cc(nc2cc1)C(=O)N4
    c3c(cccc3)C6(C4)CN(C5CCCNC5)CC6    		 (5-fluoro-1H-indol-2-yl)[(3R)-1'-[(3R)-piperidin-3-yl]spiro[indole-3,3'-pyrrolidin]-1(2H)-yl]methanone
    32637 LUO
    ZINC000095921160    		 3 C22 H22 N6 O3 InChI=1S/C22H22N6O3/c1-13
    -6-4-5-7-18(13)28-19-17(1
    2-23-28)21(30)27-22(26-19
    )24-14(2)20(29)25-15-8-10
    -16(31-3)11-9-15/h4-12,14
    H,1-3H3,(H,25,29)(H2,24,2
    6,27,30)/t14-/m0/s1;
    VHGPQZWYIWLLDA-AWEZNQCLSA-N    		 Cc1ccccc1n2c3c(cn2)C(=O)NC(=N3)N[C@@H](C
    )C(=O)Nc4ccc(cc4)OC; COc1ccc(NC(=O)[C@H]
    (C)NC2=Nc3n(ncc3C(=O)N2)c4ccccc4C)cc1; C
    Oc1ccc(NC(=O)[CH](C)NC2=Nc3n(ncc3C(=O)N2
    )c4ccccc4C)cc1; Cc1ccccc1n2c3c(cn2)C(=O)
    NC(=N3)NC(C)C(=O)Nc4ccc(cc4)OC; O=C(Nc1c
    cc(OC)cc1)C(NC2=Nc3c(C(=O)N2)cnn3c4ccccc
    4C)C    		 N-(4-methoxyphenyl)-N~2~-[1-(2-methylphenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]-L-alaninamide
    32638 LUP
    CHEMBL4460946    		 2 C23 H35 F3 N4 O4 S InChI=1S/C23H35F3N4O4S/c2
    4-23(25,26)10-1-11-27-18-
    6-2-16(3-7-18)15-35(32,33
    )30-12-8-19(9-13-30)28-22
    (31)20-14-21(34-29-20)17-
    4-5-17/h14,16-19,27H,1-13
    ,15H2,(H,28,31)/t16-,18-;
    VAYJCVQRMIULEM-SAABIXHNSA-N    		 FC(F)(F)CCCN[CH]1CC[CH](CC1)C[S](=O)(=O)
    N2CC[CH](CC2)NC(=O)c3cc(on3)C4CC4; c1c(o
    nc1C(=O)NC2CCN(CC2)S(=O)(=O)CC3CCC(CC3)N
    CCCC(F)(F)F)C4CC4; FC(F)(F)CCCN[C@H]1CC[
    C@@H](CC1)C[S](=O)(=O)N2CC[C@@H](CC2)NC(
    =O)c3cc(on3)C4CC4; C4C(NCCCC(F)(F)F)CCC(
    CS(N1CCC(CC1)NC(=O)c3cc(C2CC2)on3)(=O)=O
    )C4    		 5-cyclopropyl-N-{1-[({trans-4-[(4,4,4-trifluorobutyl)amino]cyclohexyl}methyl)sulfonyl]piperidin-4-yl}-1,2-oxazole-3-carboxamide
    32639 LUQ
    ZINC000001659811    		 2 C4 H10 N2 O4 S InChI=1S/C4H10N2O4S/c5-4(
    7)3-6-1-2-11(8,9)10/h6H,1
    -3H2,(H2,5,7)(H,8,9,10);
    DBXNUXBLKRLWFA-UHFFFAOYSA-N    		 NC(=O)CNCC[S](O)(=O)=O; C(CS(=O)(=O)O)NC
    C(=O)N    		 N-(2-acetamido)-2-aminoethanesulfonic acid;
    N-(Carbamoylmethyl)taurine
    32640 LUR
    CHEMBL404108
    DB01283
    ZINC000000007563    		 16 C15 H13 Cl F N O2 InChI=1S/C15H13ClFNO2/c1-
    9-5-6-13(10(7-9)8-14(19)2
    0)18-15-11(16)3-2-4-12(15
    )17/h2-7,18H,8H2,1H3,(H,1
    9,20);
    KHPKQFYUPIUARC-UHFFFAOYSA-N    		 Clc2cccc(F)c2Nc1ccc(cc1CC(=O)O)C; Cc1ccc
    (c(c1)CC(=O)O)Nc2c(cccc2Cl)F; Cc1ccc(Nc2
    c(F)cccc2Cl)c(CC(O)=O)c1    		 {2-[(2-chloro-6-fluorophenyl)amino]-5-methylphenyl}acetic acid;
    Lumiracoxib
    32641 LUS 1 C12 H23 N O InChI=1S/C12H23NO/c1-2-11
    -3-5-12(6-4-11)13-7-9-14-
    10-8-13/h11-12H,2-10H2,1H
    3/t11-,12-;
    UXPACUHPXVTRQE-HAQNSBGRSA-N    		 CCC1CCC(CC1)N2CCOCC2; CC[CH]1CC[CH](CC1)
    N2CCOCC2; CC[C@H]1CC[C@@H](CC1)N2CCOCC2    		 4-(4-ethylcyclohexyl)morpholine
    32642 LUT
    ZINC000014879961    		 4 C40 H56 O2 InChI=1S/C40H56O2/c1-29(1
    7-13-19-31(3)21-23-37-33(
    5)25-35(41)27-39(37,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-38-34(6)26-36(
    42)28-40(38,9)10/h11-25,3
    5-37,41-42H,26-28H2,1-10H
    3/b12-11+,17-13+,18-14+,2
    3-21+,24-22+,29-15+,30-16
    +,31-19+,32-20+/t35-,36-,
    37-/m0/s1;
    KBPHJBAIARWVSC-NSIPBSJQSA-N    		 CC(=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)C
    [C@H](O)CC1(C)C)\C=C\C=C(C)\C=C\[C@H]2C(
    =C[C@H](O)CC2(C)C)C; CC1=C(C(C[C@H](C1)O
    )(C)C)\C=C\C(=C\C=C\C(=C\C=C\C=C(/C)\C=C
    \C=C(/C)\C=C\[C@H]2C(=C[C@@H](CC2(C)C)O)
    C)\C)\C; CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(
    C)C[CH](O)CC1(C)C)C=CC=C(C)C=C[CH]2C(=C[
    CH](O)CC2(C)C)C; OC2CC(=C(\C=C\C(=C\C=C\
    C(=C\C=C\C=C(\C=C\C=C(\C=C\C1C(=CC(O)CC1
    (C)C)C)C)C)C)C)C(C)(C)C2)C; CC1=C(C(CC(C
    1)O)(C)C)C=CC(=CC=CC(=CC=CC=C(C)C=CC=C(C
    )C=CC2C(=CC(CC2(C)C)O)C)C)C    		 (3R,3'R,6S)-4,5-DIDEHYDRO-5,6-DIHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL;
    (3R,3'R)-BETA,BETA-CAROTENE-3,3'-DIOL;
    LUTEIN
    32643 LUU
    CHEMBL5093963
    ZINC000002021900    		 1 C9 H10 N2 InChI=1S/C9H10N2/c10-6-7-
    1-2-9-8(5-7)3-4-11-9/h1-5
    ,11H,6,10H2;
    UAYYSAPJTRVEQA-UHFFFAOYSA-N    		 c1cc2c(cc[nH]2)cc1CN; NCc1ccc2[nH]ccc2c1 1~{H}-indol-5-ylmethanamine
    32644 LUV
    ZINC000098209132    		 2 C31 H34 N4 O3 S InChI=1S/C31H34N4O3S/c36-
    27(17-8-7-16-26-29-25(20-
    39-26)34-31(38)35-29)32-1
    8-19-33-30(37)28-23(21-10
    -3-1-4-11-21)14-9-15-24(2
    8)22-12-5-2-6-13-22/h1-6,
    9-15,25-26,29H,7-8,16-20H
    2,(H,32,36)(H,33,37)(H2,3
    4,35,38)/t25-,26-,29-/m0/
    s1;
    HDCOHCMVDIFBPR-ZEZDXWPOSA-N    		 c1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCC[C@
    H]3[C@@H]4[C@H](CS3)NC(=O)N4)c5ccccc5; c
    1ccc(cc1)c2cccc(c2C(=O)NCCNC(=O)CCCCC3C4
    C(CS3)NC(=O)N4)c5ccccc5; O=C(CCCC[CH]1SC
    [CH]2NC(=O)N[CH]12)NCCNC(=O)c3c(cccc3c4c
    cccc4)c5ccccc5; O=C(CCCC[C@@H]1SC[C@@H]2
    NC(=O)N[C@H]12)NCCNC(=O)c3c(cccc3c4ccccc
    4)c5ccccc5; O=C1NC2C(SCC2N1)CCCCC(=O)NCC
    NC(=O)c5c(c3ccccc3)cccc5c4ccccc4    		 (3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4- d]imidazolidin-4-yl]-N-{2-[(2,6- diphenylphenyl)formamido]ethyl}pentanamide
    32645 LUW 2 C21 H17 N5 O3 InChI=1S/C21H17N5O3/c27-1
    9(18-14-23-21(25-20(18)28
    )26-12-4-11-24-26)22-13-1
    5-7-9-17(10-8-15)29-16-5-
    2-1-3-6-16/h1-12,14H,13H2
    ,(H,22,27)(H,23,25,28);
    WBANHLSPTRNPCR-UHFFFAOYSA-N    		 Oc1nc(ncc1C(=O)NCc2ccc(Oc3ccccc3)cc2)n4c
    ccn4; c1ccc(cc1)Oc2ccc(cc2)CNC(=O)c3cnc(
    nc3O)n4cccn4    		 4-oxidanyl-~{N}-[(4-phenoxyphenyl)methyl]-2-pyrazol-1-yl-pyrimidine-5-carboxamide
    32646 LUX 6 C40 H72 O2 InChI=1S/C40H72O2/c1-29(1
    7-13-19-31(3)21-23-37-33(
    5)25-35(41)27-39(37,7)8)1
    5-11-12-16-30(2)18-14-20-
    32(4)22-24-38-34(6)26-36(
    42)28-40(38,9)10/h21,23,2
    6,29-32,35-36,38,41-42H,1
    1-20,22,24-25,27-28H2,1-1
    0H3/b23-21+/t29-,30+,31-,
    32?,35+,36-,38?/m1/s1;
    OXVWOOPFXSSEKV-SQYYBNMASA-N    		 OC2CC(=C(/C=C/C(C)CCCC(C)CCCCC(C)CCCC(C)
    CCC1C(=CC(O)CC1(C)C)C)C(C)(C)C2)C; C[CH]
    (CCCC[CH](C)CCC[CH](C)C=CC1=C(C)C[CH](O)
    CC1(C)C)CCC[CH](C)CC[CH]2C(=C[CH](O)CC2(
    C)C)C; CC1=C(C(C[C@H](C1)O)(C)C)\C=C\C(C
    )CCCC(C)CCCCC(C)CCCC(C)CCC2C(=C[C@H](CC2
    (C)C)O)C; C[C@@H](CCCC[C@@H](C)CCC[C@@H]
    (C)/C=C/C1=C(C)C[C@H](O)CC1(C)C)CCC[C@@H
    ](C)CC[C@H]2C(=C[C@@H](O)CC2(C)C)C; CC1=
    C(C(CC(C1)O)(C)C)C=CC(C)CCCC(C)CCCCC(C)C
    CCC(C)CCC2C(=CC(CC2(C)C)O)C    		 (3R,3'R,6'S,9R,9'R,13R,13'S)-4',5'-DIDEHYDRO-5',6',7',8',9,9',10,10',11,11',12,12',13,13',14,14',15,15'-OCTADECAHYDRO-BETA,BETA-CAROTENE-3,3'-DIOL
    32647 LUY
    ZINC000000513006    		 5 C15 H15 N3 InChI=1S/C15H15N3/c1-2-6-
    12(7-3-1)10-11-16-15-17-1
    3-8-4-5-9-14(13)18-15/h1-
    9H,10-11H2,(H2,16,17,18);
    OWETVOGOOABRTJ-UHFFFAOYSA-N    		 c1ccc(cc1)CCNc2[nH]c3ccccc3n2; C(Cc1cccc
    c1)Nc2[nH]c3ccccc3n2    		 ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine
    32648 LUZ
    CHEMBL1234104
    ZINC000000155664    		 5 C6 H4 N4 O2 InChI=1S/C6H4N4O2/c11-5-3
    -4(8-2-1-7-3)9-6(12)10-5/
    h1-2H,(H2,8,9,10,11,12);
    UYEUUXMDVNYCAM-UHFFFAOYSA-N    		 O=C1NC(=O)c2nccnc2N1; O=C2c1nccnc1NC(=O)
    N2; c1cnc2c(n1)C(=O)NC(=O)N2    		 pteridine-2,4(1H,3H)-dione;
    Lumazine;
    2,4-dihydroxypteridine;
    2,4-pteridinediol
    32649 LV0 1 C21 H21 N3 O3 S InChI=1S/C21H21N3O3S/c25-
    19(21(27)23-14-18-22-11-1
    2-28-18)17(13-15-7-3-1-4-
    8-15)24-20(26)16-9-5-2-6-
    10-16/h1-12,17,19,25H,13-
    14H2,(H,23,27)(H,24,26)/t
    17-,19+/m1/s1;
    UFZXDNQNUPUWBP-MJGOQNOKSA-N    		 O[C@@H]([C@@H](Cc1ccccc1)NC(=O)c2ccccc2)
    C(=O)NCc3sccn3; c1ccc(cc1)CC(C(C(=O)NCc2
    nccs2)O)NC(=O)c3ccccc3; c1ccc(cc1)C[C@H]
    ([C@@H](C(=O)NCc2nccs2)O)NC(=O)c3ccccc3;
    O[CH]([CH](Cc1ccccc1)NC(=O)c2ccccc2)C(=
    O)NCc3sccn3    		 ~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide
    32650 LV1
    ZINC000000399805    		 1 C13 H11 F N2 O2 InChI=1S/C13H11FN2O2/c14-
    9-4-6-10(7-5-9)15-13(18)1
    6-11-2-1-3-12(17)8-11/h1-
    8,17H,(H2,15,16,18);
    BASVXNNPMBRKEP-UHFFFAOYSA-N    		 c1cc(cc(c1)O)NC(=O)Nc2ccc(cc2)F; Oc1cccc
    (NC(=O)Nc2ccc(F)cc2)c1    		 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea
    32651 LV2 0 C11 H18 N3 O8 P InChI=1S/C11H18N3O8P/c1-1
    3(2)7-3-4-14(11(17)12-7)1
    0-9(16)8(15)6(22-10)5-21-
    23(18,19)20/h3-4,6,8-10,1
    5-16H,5H2,1-2H3,(H2,18,19
    ,20)/t6-,8-,9-,10-/m1/s1;
    PGVGGVCCRBGELR-PEBGCTIMSA-N    		 CN(C)C1=NC(=O)N(C=C1)C2C(C(C(O2)COP(=O)(
    O)O)O)O; CN(C)C1=NC(=O)N(C=C1)[C@H]2[C@@
    H]([C@@H]([C@H](O2)COP(=O)(O)O)O)O; CN(C
    )C1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(
    O)=O)[C@@H](O)[C@H]2O; CN(C)C1=NC(=O)N(C
    =C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]
    2O    		 [(2~{R},3~{S},4~{R},5~{R})-5-[4-(dimethylamino)-2-oxidanylidene-pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate
    32652 LV4
    ZINC000000102765    		 14 C8 H7 F3 N2 O S InChI=1S/C8H7F3N2OS/c9-8(
    10,11)14-6-4-2-1-3-5(6)13
    -7(12)15/h1-4H,(H3,12,13,
    15);
    HYKOSRYWIURWQI-UHFFFAOYSA-N    		 NC(=S)Nc1ccccc1OC(F)(F)F; c1ccc(c(c1)NC(
    =S)N)OC(F)(F)F    		 1-[2-(trifluoromethyloxy)phenyl]thiourea
    32653 LV5
    CHEMBL1319813
    ZINC000000157572    		 1 C6 H5 Cl2 N InChI=1S/C6H5Cl2N/c7-5-2-
    1-4(9)3-6(5)8/h1-3H,9H2;
    SDYWXFYBZPNOFX-UHFFFAOYSA-N    		 c1cc(c(cc1N)Cl)Cl; Nc1ccc(Cl)c(Cl)c1 3,4-Dichloroaniline
    32654 LV7
    ZINC000000144281    		 2 C9 H11 N3 O2 InChI=1S/C9H11N3O2/c1-6(1
    3)11-8-5-3-2-4-7(8)9(14)1
    2-10/h2-5H,10H2,1H3,(H,11
    ,13)(H,12,14);
    QECAIFFXHWSKAI-UHFFFAOYSA-N    		 CC(=O)Nc1ccccc1C(=O)NN ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide
    32655 LV8 0 C5 H10 N2 O3 InChI=1S/C5H10N2O3/c1-3(8
    )7-2-4(6)5(9)10/h4H,2,6H2
    ,1H3,(H,7,8)(H,9,10)/t4-/
    m0/s1;
    YSPAKPPINKSOKX-BYPYZUCNSA-N    		 CC(=O)NC[C@@H](C(=O)O)N; CC(=O)NCC(C(=O)
    O)N; CC(=O)NC[CH](N)C(O)=O; CC(=O)NC[C@H
    ](N)C(O)=O    		 (2~{S})-3-acetamido-2-azanyl-propanoic acid
    32656 LV9 1 C18 H21 N3 O2 InChI=1S/C18H21N3O2/c22-1
    7(20-16-7-4-10-19-14-16)2
    1-18(8-11-23-12-9-18)13-1
    5-5-2-1-3-6-15/h1-7,10,14
    H,8-9,11-13H2,(H2,20,21,2
    2);
    QJWPFRCAJGJSOH-UHFFFAOYSA-N    		 O=C(Nc1cccnc1)NC2(CCOCC2)Cc3ccccc3; c1cc
    c(cc1)CC2(CCOCC2)NC(=O)Nc3cccnc3; O=C(NC
    1(CCOCC1)Cc1ccccc1)Nc1cccnc1    		 N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea
    32657 LVA
    CHEMBL1201373
    DB03785
    ZINC000004134473    		 4 C24 H38 O6 InChI=1S/C24H38O6/c1-5-15
    (3)24(29)30-21-11-14(2)10
    -17-7-6-16(4)20(23(17)21)
    9-8-18(25)12-19(26)13-22(
    27)28/h6-7,10,14-16,18-21
    ,23,25-26H,5,8-9,11-13H2,
    1-4H3,(H,27,28)/t14-,15-,
    16-,18+,19+,20-,21-,23-/m
    0/s1;
    QLJODMDSTUBWDW-BXMDZJJMSA-N    		 CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[
    C@H]([C@H](C=C2)C)CC[C@H](C[C@H](CC(=O)O
    )O)O)C; CC[CH](C)C(=O)O[CH]1C[CH](C)C=C2
    C=C[CH](C)[CH](CC[CH](O)C[CH](O)CC(O)=O)
    [CH]12; CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)
    C)CCC(CC(CC(=O)O)O)O)C; CC[C@H](C)C(=O)O
    [C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[
    C@@H](O)C[C@@H](O)CC(O)=O)[C@@H]12; O=C(
    O)CC(O)CC(O)CCC2C(C=CC1=CC(CC(OC(=O)C(C)
    CC)C12)C)C    		 (3R,5R)-7-((1R,2R,6S,8R,8AS)-2,6-DIMETHYL-8-{[(2R)-2-METHYLBUTANOYL]OXY}-1,2,6,7,8,8A-HEXAHYDRONAPHTHALEN-1-YL)-3,5-DIHYDROXYHEPTANOIC ACID
    32658 LVB 2 C14 H11 N O4 InChI=1S/C14H11NO4/c1-9-2
    -4-10(5-3-9)14(17)11-6-7-
    13(16)12(8-11)15(18)19/h2
    -8,16H,1H3;
    OYCADSVKEVKERJ-UHFFFAOYSA-N    		 Cc1ccc(cc1)C(=O)c2ccc(c(c2)[N+](=O)[O-])
    O; Cc1ccc(cc1)C(=O)c2ccc(O)c(c2)[N+]([O-
    ])=O    		 3-deoxytolcapone
    32659 LVC
    ZINC000002561212    		 1 C10 H10 O3 InChI=1S/C10H10O3/c1-7(11
    )6-8-2-4-9(5-3-8)10(12)13
    /h2-5H,6H2,1H3,(H,12,13);
    FLZUYXUBDVKWPO-UHFFFAOYSA-N    		 CC(=O)Cc1ccc(cc1)C(=O)O; O=C(C)Cc1ccc(cc
    1)C(=O)O; CC(=O)Cc1ccc(cc1)C(O)=O    		 4-(2-oxopropyl)benzoic acid
    32660 LVD
    CHEMBL1867851
    ZINC000000084002    		 4 C8 H10 N2 O2 InChI=1S/C8H10N2O2/c9-8(1
    1)10-12-6-7-4-2-1-3-5-7/h
    1-5H,6H2,(H3,9,10,11);
    IXRIVZOKBPYSPK-UHFFFAOYSA-N    		 c1ccc(cc1)CONC(=O)N; NC(=O)NOCc1ccccc1 1-phenylmethoxyurea
    32661 LVE
    ZINC000077303491    		 2 C15 H13 N O5 InChI=1S/C15H13NO5/c1-9-3
    -5-10(6-4-9)14(17)11-7-12
    (16(19)20)15(18)13(8-11)2
    1-2/h3-8,18H,1-2H3;
    VCNSNEJUGBEWTA-UHFFFAOYSA-N    		 COc1cc(cc(c1O)[N+]([O-])=O)C(=O)c2ccc(C)
    cc2; Cc1ccc(cc1)C(=O)c2cc(c(c(c2)OC)O)[N
    +](=O)[O-]    		 3-O-methyltolcapone
    32662 LVF
    ZINC000016697555    		 5 C10 H7 Cl N2 InChI=1S/C10H7ClN2/c11-8-
    1-2-10-9(5-8)7(3-4-12)6-1
    3-10/h1-2,5-6,13H,3H2;
    UHFZUNGNGGEESB-UHFFFAOYSA-N    		 Clc1ccc2[nH]cc(CC#N)c2c1; c1cc2c(cc1Cl)c
    (c[nH]2)CC#N    		 2-(5-chloranyl-1H-indol-3-yl)ethanenitrile
    32663 LVG
    DB03214
    ZINC000001566185    		 2 C4 H7 N O2 InChI=1S/C4H7NO2/c1-2-3(5
    )4(6)7/h2-3H,1,5H2,(H,6,7
    )/t3-/m0/s1;
    RQVLGLPAZTUBKX-VKHMYHEASA-N    		 O=C(O)C(\C=C)N; N[CH](C=C)C(O)=O; N[C@@H
    ](C=C)C(O)=O; C=CC(C(=O)O)N; C=C[C@@H](C
    (=O)O)N    		 L-VINYLGLYCINE;
    (2S)-2-AMINO-3-BUTENOIC ACID;
    (2S)-2-AMINOBUT-3-ENOIC ACID
    32664 LVH
    CHEMBL4447306    		 2 C26 H27 F3 N2 O2 InChI=1S/C26H27F3N2O2/c1-
    15-11-18-17-7-5-6-8-21(17
    )30-24(18)26(4,31(15)14-2
    5(2,3)29)23-19(27)12-16(1
    3-20(23)28)9-10-22(32)33/
    h5-10,12-13,15,30H,11,14H
    2,1-4H3,(H,32,33)/b10-9+/
    t15-,26-/m1/s1;
    QGICMPFWBJJTDL-OEFSXXAWSA-N    		 C[C@@H]1Cc2c3ccccc3[nH]c2[C@@](N1CC(C)(C
    )F)(C)c4c(cc(cc4F)/C=C/C(=O)O)F; C[C@@H]
    1Cc2c([nH]c3ccccc23)[C@](C)(N1CC(C)(C)F)
    c4c(F)cc(/C=C/C(O)=O)cc4F; CC1Cc2c3ccccc
    3[nH]c2C(N1CC(C)(C)F)(C)c4c(cc(cc4F)C=CC
    (=O)O)F; C[CH]1Cc2c([nH]c3ccccc23)[C](C)
    (N1CC(C)(C)F)c4c(F)cc(C=CC(O)=O)cc4F    		 (~{E})-3-[3,5-bis(fluoranyl)-4-[(1~{R},3~{R})-2-(2-fluoranyl-2-methyl-propyl)-1,3-dimethyl-4,9-dihydro-3~{H}-pyrido[3,4-b]indol-1-yl]phenyl]prop-2-enoic acid
    32665 LVJ
    ZINC000098209137    		 2 C27 H32 Cl2 F3 N5 O4 InChI=1S/C27H32Cl2F3N5O4/
    c1-25(2,3)23(39)33-11-14-
    7-8-16(28)21(20(14)29)36-
    24-35-17-9-15(22(38)34-12
    -27(30,31)32)19(10-18(17)
    37(24)6)41-13-26(4,5)40/h
    7-10,40H,11-13H2,1-6H3,(H
    ,33,39)(H,34,38)(H,35,36);
    CHFOASGROVVRSK-UHFFFAOYSA-N    		 Cn1c(Nc2c(Cl)ccc(CNC(=O)C(C)(C)C)c2Cl)nc
    3cc(C(=O)NCC(F)(F)F)c(OCC(C)(C)O)cc13; F
    C(F)(F)CNC(=O)c2cc3nc(Nc1c(Cl)c(ccc1Cl)C
    NC(=O)C(C)(C)C)n(c3cc2OCC(O)(C)C)C; CC(C
    )(C)C(=O)NCc1ccc(c(c1Cl)Nc2nc3cc(c(cc3n2
    C)OCC(C)(C)O)C(=O)NCC(F)(F)F)Cl    		 2-[[2,6-bis(chloranyl)-3-[(2,2-dimethylpropanoylamino)methyl]phenyl]amino]-1-methyl-6-(2-methyl-2-oxidanyl-propoxy)-N-[2,2,2-tris(fluoranyl)ethyl]benzimidazole-5-carboxamide
    32666 LVK
    ZINC000002038006    		 1 C10 H10 O3 InChI=1S/C10H10O3/c1-2-9(
    11)7-3-5-8(6-4-7)10(12)13
    /h3-6H,2H2,1H3,(H,12,13);
    MQZBJHMHKZVYHB-UHFFFAOYSA-N    		 CCC(=O)c1ccc(cc1)C(O)=O; OC(=O)c1ccc(cc1
    )C(=O)CC; CCC(=O)c1ccc(cc1)C(=O)O    		 4-propanoylbenzoic acid
    32667 LVL 1 C11 H7 F3 N2 InChI=1S/C11H7F3N2/c12-11
    (13,14)8-1-2-10-9(5-8)7(3
    -4-15)6-16-10/h1-2,5-6,16
    H,3H2;
    RLNKXFUKNFUIHO-UHFFFAOYSA-N    		 c1cc2c(cc1C(F)(F)F)c(c[nH]2)CC#N; FC(F)(
    F)c1ccc2[nH]cc(CC#N)c2c1    		 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile
    32668 LVM 1 C14 H18 N2 O InChI=1S/C14H18N2O/c1-10-
    2-5-15-9-12(10)16-13(17)6
    -11-7-14(8-11)3-4-14/h2,5
    ,9,11H,3-4,6-8H2,1H3,(H,1
    6,17);
    BEZLDJLMZNYTJV-UHFFFAOYSA-N    		 O=C(Nc1cnccc1C)CC1CC2(CC2)C1; Cc1ccncc1N
    C(=O)CC2CC3(C2)CC3; Cc1ccncc1NC(=O)CC2CC
    3(CC3)C2    		 N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide
    32669 LVN 0 C5 H9 N O3 InChI=1S/C5H9NO3/c1-3(2-7
    )4(6)5(8)9/h2-4H,6H2,1H3,
    (H,8,9)/t3-,4+/m1/s1;
    JHWQDNUTTOUUKV-DMTCNVIQSA-N    		 CC(C=O)C(C(=O)O)N; C[CH](C=O)[CH](N)C(O)
    =O; C[C@H](C=O)[C@H](N)C(O)=O; C[C@H](C=
    O)[C@@H](C(=O)O)N    		 (3S)-4-oxo-L-valine;
    (2S,3S)-2-amino-3-methyl-4-oxo-butanoic acid
    32670 LVO
    CHEMBL467058
    DB11888
    ZINC000014175798    		 6 C21 H36 N4 O8 InChI=1S/C21H36N4O8/c1-4-
    5-6-7-8-9-16(28)32-11-14(
    27)18(31-3)19-17(24-12(2)
    26)13(25-21(22)23)10-15(3
    3-19)20(29)30/h10,13-14,1
    7-19,27H,4-9,11H2,1-3H3,(
    H,24,26)(H,29,30)(H4,22,2
    3,25)/t13-,14+,17+,18+,19
    +/m0/s1;
    UKTIJASCFRNWCB-RMIBSVFLSA-N    		 [H]/N=C(\N)/N[C@H]1C=C(O[C@H]([C@@H]1NC(
    =O)C)[C@@H]([C@@H](COC(=O)CCCCCCC)O)OC)C
    (=O)O; CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)
    [C@@H]1OC(=C[C@H](NC(N)=N)[C@H]1NC(C)=O)
    C(O)=O; CCCCCCCC(=O)OCC(C(C1C(C(C=C(O1)C
    (=O)O)NC(=N)N)NC(=O)C)OC)O; CCCCCCCC(=O)
    OC[CH](O)[CH](OC)[CH]1OC(=C[CH](NC(N)=N)
    [CH]1NC(C)=O)C(O)=O; O=C(OCC(O)C(OC)C1OC
    (=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCC
    C    		 5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid;
    5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid;
    Laninamivir octanoate
    32671 LVP
    ZINC000000151485    		 3 C10 H8 F N3 O2 InChI=1S/C10H8FN3O2/c11-7
    -3-1-2-4-8(7)13-14-10(15)
    9-5-6-12-16-9/h1-6,13H,(H
    ,14,15);
    WLARYWMNUKSZGW-UHFFFAOYSA-N    		 c1ccc(c(c1)NNC(=O)c2ccno2)F; Fc1ccccc1NN
    C(=O)c2oncc2    		 ~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide
    32672 LVQ 20 C38 H37 As Na O25 S4 InChI=1S/C38H38AsO25S4.Na
    /c1-39(2,47)64-34(46)18-6
    3-38-25-5-23-11-28(66(51,
    52)53)9-21(36(23)61-16-32
    (42)43)3-19-7-27(65(48,49
    )50)8-20(35(19)60-15-31(4
    0)41)4-22-10-29(67(54,55)
    56)12-24(37(22)62-17-33(4
    4)45)6-26(38)14-30(13-25)
    68(57,58)59;/h7-14,47H,3-
    6,15-18H2,1-2H3,(H,40,41)
    (H,42,43)(H,44,45)(H,48,4
    9,50)(H,51,52,53)(H,54,55
    ,56)(H,57,58,59);/q-1;+6/
    p-1;
    DWJVHZAMZXSDQE-UHFFFAOYSA-M    		 C[As-](C)(O)OC1=[O+][Na]2345OC(=O)C[O+]2
    c6c7Cc8cc(cc(Cc9cc(cc(Cc%10cc(cc(Cc6cc(c
    7)[S](O)(=O)=O)c%10[O+]3CC(O)=O)[S](O)(=
    O)=O)c9[O+]4C1)[S](O)(=O)=O)c8[O+]5CC(O)
    =O)[S](O)(=O)=O; C[As-](C)(O)OC1=[O+][Na
    ]2345OC(=O)C[O+]2c6c7cc(cc6Cc8cc(cc(c8[O
    +]3CC(=O)O)Cc9cc(cc(c9[O+]4C1)Cc1cc(cc(c
    1[O+]5CC(=O)O)C7)S(=O)(=O)O)S(=O)(=O)O)S
    (=O)(=O)O)S(=O)(=O)O    		 octa-anionic calixarene
    32673 LVR 0 C22 H30 N5 O8 P InChI=1S/C22H30N5O8P/c23-
    5-8-26-15-1-2-16(20-19(15
    )21(30)13-3-6-25-11-14(13
    )22(20)31)27-10-9-24-7-4-
    17(28)18(29)12-35-36(32,3
    3)34/h1-3,6,11,17-18,24,2
    6-29H,4-5,7-10,12,23H2,(H
    2,32,33,34)/t17-,18-/m0/s
    1;
    BJAOHGRBCOQHHR-ROUUACIJSA-N    		 c1cc(c2c(c1NCCN)C(=O)c3ccncc3C2=O)NCCNCC
    [C@@H]([C@H](COP(=O)(O)O)O)O; NCCNc1ccc(
    NCCNCC[C@H](O)[C@@H](O)CO[P](O)(O)=O)c2C
    (=O)c3cnccc3C(=O)c12; O=P(O)(O)OCC(O)C(O
    )CCNCCNc1ccc(NCCN)c2c1C(=O)c1cnccc1C2=O;
    NCCNc1ccc(NCCNCC[CH](O)[CH](O)CO[P](O)(
    O)=O)c2C(=O)c3cnccc3C(=O)c12; c1cc(c2c(c
    1NCCN)C(=O)c3ccncc3C2=O)NCCNCCC(C(COP(=O
    )(O)O)O)O    		 1-{[2-({6-[(2-aminoethyl)amino]-5,10-dioxo-5,10-dihydrobenzo[g]isoquinolin-9-yl}amino)ethyl]amino}-1,2-dideoxy-5-O-(dihydroxyphosphanyl)-L-threo-pentitol
    32674 LVS 15 C28 H43 I N4 O8 S InChI=1S/C28H43IN4O8S/c1-
    16(2)10-20(8-9-42(7,40)41
    )30-27(36)23(12-18(5)6)32
    -28(37)22(11-17(3)4)31-25
    (34)15-19-13-21(29)26(35)
    24(14-19)33(38)39/h8-9,13
    -14,16-18,20,22-23,35H,10
    -12,15H2,1-7H3,(H,30,36)(
    H,31,34)(H,32,37)/t20-,22
    +,23+/m1/s1;
    RSYTXXARKSZDKY-PUHATCMVSA-N    		 CC(C)C[C@@H](C=CS(=O)(=O)C)NC(=O)[C@H](C
    C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1cc(c(c
    (c1)I)O)[N+](=O)[O-]; CC(C)CC(C=CS(=O)(=
    O)C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)
    Cc1cc(c(c(c1)I)O)[N+](=O)[O-]; O=[N+]([O
    -])c1cc(cc(I)c1O)CC(=O)NC(C(=O)NC(C(=O)N
    C(\C=C/S(=O)(=O)C)CC(C)C)CC(C)C)CC(C)C;
    CC(C)C[CH](NC(=O)[CH](CC(C)C)NC(=O)[CH](
    CC(C)C)NC(=O)Cc1cc(I)c(O)c(c1)[N+]([O-])
    =O)C=C[S](C)(=O)=O; CC(C)C[C@H](NC(=O)[C
    @H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)Cc1c
    c(I)c(O)c(c1)[N+]([O-])=O)\C=C/[S](C)(=O
    )=O    		 4-IODO-3-NITROPHENYL ACETYL-LEUCINYL-LEUCINYL-LEUCINYL-VINYLSULFONE
    32675 LVT 2 C36 H32 O24 S4 InChI=1S/C36H32O24S4/c37-
    29(38)13-57-33-17-1-18-6-
    26(62(48,49)50)8-20(34(18
    )58-14-30(39)40)3-22-10-2
    8(64(54,55)56)12-24(36(22
    )60-16-32(43)44)4-23-11-2
    7(63(51,52)53)9-21(35(23)
    59-15-31(41)42)2-19(33)7-
    25(5-17)61(45,46)47/h5-12
    H,1-4,13-16H2,(H,37,38)(H
    ,39,40)(H,41,42)(H,43,44)
    (H,45,46,47)(H,48,49,50)(
    H,51,52,53)(H,54,55,56);
    JUMSFKUQLZLREY-UHFFFAOYSA-N    		 c1c(cc2c(c1Cc3cc(cc(c3OCC(=O)O)Cc4cc(cc(
    c4OCC(=O)O)Cc5cc(cc(c5OCC(=O)O)C2)S(=O)(
    =O)O)S(=O)(=O)O)S(=O)(=O)O)OCC(=O)O)S(=O
    )(=O)O; OC(=O)COc1c2Cc3cc(cc(Cc4cc(cc(Cc
    5cc(cc(Cc1cc(c2)[S](O)(=O)=O)c5OCC(O)=O)
    [S](O)(=O)=O)c4OCC(O)=O)[S](O)(=O)=O)c3O
    CC(O)=O)[S](O)(=O)=O    		 octa-anionic calix[4]arene
    32676 LVU
    CHEMBL5198078    		 1 C9 H5 Br2 N3 InChI=1S/C9H5Br2N3/c10-6-
    3-5-8(1-2-12)13-14-9(5)4-
    7(6)11/h3-4H,1H2,(H,13,14
    );
    LIFGJTPUCFFUJO-UHFFFAOYSA-N    		 c1c2c(cc(c1Br)Br)[nH]nc2CC#N; Brc1cc2[nH
    ]nc(CC#N)c2cc1Br    		 2-[5,6-bis(bromanyl)-1H-indazol-3-yl]ethanenitrile
    32677 LVV
    CHEMBL1419545
    ZINC000059601259    		 9 C12 H17 N O2 S InChI=1S/C12H17NO2S/c1-11
    -2-4-12(5-3-11)10-13-6-8-
    16(14,15)9-7-13/h2-5H,6-1
    0H2,1H3;
    PBEMXBVPRZGFNM-UHFFFAOYSA-N    		 Cc1ccc(CN2CC[S](=O)(=O)CC2)cc1; Cc1ccc(c
    c1)CN2CCS(=O)(=O)CC2    		 4-[(4-methylphenyl)methyl]-1,4-thiazinane 1,1-dioxide
    32678 LVW 2 C6 H12 O2 Se InChI=1S/C6H12O2Se/c1-2-3
    -8-4-6(7)5-9/h2,6-7,9H,1,
    3-5H2/t6-/m1/s1;
    YQCUFGFATQCBJJ-ZCFIWIBFSA-N    		 O[C@@H](C[SeH])COCC=C; C=CCOC[C@H](C[SeH
    ])O; O[CH](C[SeH])COCC=C; C=CCOCC(C[SeH]
    )O    		 (2~{R})-1-prop-2-enoxy-3-selanyl-propan-2-ol
    32679 LVX 3 C25 H32 F2 N4 O5 S InChI=1S/C25H32F2N4O5S/c1
    -36-15-19(31-22(33)17-8-5
    -9-25(26,27)13-17)23(34)3
    0-18(12-16-6-3-2-4-7-16)2
    1(32)24(35)29-14-20-28-10
    -11-37-20/h2-4,6-7,10-11,
    17-19,21,32H,5,8-9,12-15H
    2,1H3,(H,29,35)(H,30,34)(
    H,31,33)/t17-,18-,19-,21+
    /m1/s1;
    PYEYIJGOSSTTFY-XCJLJZCSSA-N    		 COC[CH](NC(=O)[CH]1CCCC(F)(F)C1)C(=O)N[C
    H](Cc2ccccc2)[CH](O)C(=O)NCc3sccn3; COC[
    C@@H](NC(=O)[C@@H]1CCCC(F)(F)C1)C(=O)N[C
    @H](Cc2ccccc2)[C@H](O)C(=O)NCc3sccn3; CO
    C[C@H](C(=O)N[C@H](Cc1ccccc1)[C@@H](C(=O
    )NCc2nccs2)O)NC(=O)[C@@H]3CCCC(C3)(F)F;
    COCC(C(=O)NC(Cc1ccccc1)C(C(=O)NCc2nccs2)
    O)NC(=O)C3CCCC(C3)(F)F    		 (1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide
    32680 LVY
    ZINC000001997127    		 12 C13 H13 N3 O3 InChI=1S/C13H13N3O3/c14-9
    -3-1-2-7-8(9)6-16(13(7)19
    )10-4-5-11(17)15-12(10)18
    /h1-3,10H,4-6,14H2,(H,15,
    17,18)/t10-/m0/s1;
    GOTYRUGSSMKFNF-JTQLQIEISA-N    		 Nc1cccc2C(=O)N(Cc12)[C@H]3CCC(=O)NC3=O;
    c1cc2c(c(c1)N)CN(C2=O)C3CCC(=O)NC3=O; c1
    cc2c(c(c1)N)CN(C2=O)[C@H]3CCC(=O)NC3=O;
    O=C1NC(=O)CCC1N3C(=O)c2cccc(c2C3)N; Nc1c
    ccc2C(=O)N(Cc12)[CH]3CCC(=O)NC3=O    		 S-Lenalidomide
    32681 LVZ
    ZINC000098209139    		 1 C9 H19 N O11 S2 InChI=1S/C9H19NO11S2/c1-4
    (2)20-9-6(10-22(13,14)15)
    8(12)7(11)5(21-9)3-19-23(
    16,17)18/h4-12H,3H2,1-2H3
    ,(H,13,14,15)(H,16,17,18)
    /t5-,6-,7-,8-,9+/m1/s1;
    OLCFKZNXXBRVTA-OKNNCHMLSA-N    		 CC(C)O[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O
    1)COS(=O)(=O)O)O)O)NS(=O)(=O)O; CC(C)O[C
    H]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[C
    H]1N[S](O)(=O)=O; CC(C)O[C@H]1O[C@H](CO[
    S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](
    O)(=O)=O; CC(C)OC1C(C(C(C(O1)COS(=O)(=O)
    O)O)O)NS(=O)(=O)O; O=S(=O)(O)OCC1OC(OC(C
    )C)C(NS(=O)(=O)O)C(O)C1O    		 propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-D-glucoside;
    propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-glucoside
    32682 LW0
    ZINC000621430161    		 3 C17 H14 F N5 O InChI=1S/C17H14FN5O/c18-1
    1-5-3-4-10(8-11)17(24)19-
    15-9-14(16-20-22-23-21-16
    )12-6-1-2-7-13(12)15/h1-8
    ,14-15H,9H2,(H,19,24)(H,2
    0,21,22,23)/t14-,15+/m0/s
    1;
    AVOXPOBGAAXINB-LSDHHAIUSA-N    		 Fc1cccc(c1)C(=O)N[C@@H]2C[C@H](c3[nH]nnn
    3)c4ccccc24; c1ccc2c(c1)[C@H](C[C@H]2NC(
    =O)c3cccc(c3)F)c4[nH]nnn4; Fc1cccc(c1)C(
    =O)NC1CC(c2nnn[NH]2)c2ccccc12; c1ccc2c(c
    1)C(CC2NC(=O)c3cccc(c3)F)c4[nH]nnn4; Fc1
    cccc(c1)C(=O)N[CH]2C[CH](c3[nH]nnn3)c4cc
    ccc24    		 3-fluoro-N-[(1R,3S)-3-(1H-tetrazol-5-yl)-2,3-dihydro-1H-inden-1-yl]benzamide
    32683 LW1
    CHEMBL328441
    ZINC000000158751    		 7 C5 H4 O S InChI=1S/C5H4OS/c6-4-5-2-
    1-3-7-5/h1-4H;
    CNUDBTRUORMMPA-UHFFFAOYSA-N    		 O=Cc1sccc1; C(c1cccs1)=O; c1cc(sc1)C=O thiophene-2-carbaldehyde
    32684 LW2
    ZINC000209871790    		 9 C8 H10 O3 S InChI=1S/C8H10O3S/c1-5(9)
    7(10)8(11)6-3-2-4-12-6/h2
    -4,7-8,10-11H,1H3/t7-,8-/
    m1/s1;
    IGRSBLNSJJCYEW-HTQZYQBOSA-N    		 CC(C(C(c1sccc1)O)O)=O; CC(=O)[C@@H](O)[C
    @H](O)c1sccc1; CC(=O)C(C(c1cccs1)O)O; CC
    (=O)[C@H]([C@@H](c1cccs1)O)O; CC(=O)[CH]
    (O)[CH](O)c1sccc1    		 (3S,4S)-3,4-dihydroxy-4-(thiophen-2-yl)butan-2-one
    32685 LW3
    CHEMBL5201730    		 1 C9 H5 Br Cl N3 InChI=1S/C9H5BrClN3/c10-6
    -3-5-8(1-2-12)13-14-9(5)4
    -7(6)11/h3-4H,1H2,(H,13,1
    4);
    FAGVHGZPQSWXCE-UHFFFAOYSA-N    		 c1c2c(cc(c1Br)Cl)[nH]nc2CC#N; Clc1cc2[nH
    ]nc(CC#N)c2cc1Br    		 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile
    32686 LW4
    CHEMBL565612
    DB12369
    ZINC000003973984    		 3 C25 H22 N6 O2 InChI=1S/C25H22N6O2/c1-30
    -10-12-31(13-11-30)25-27-
    19-9-5-3-7-16(19)22(28-25
    )21-20(23(32)29-24(21)33)
    17-14-26-18-8-4-2-6-15(17
    )18/h2-9,14,26H,10-13H2,1
    H3,(H,29,32,33);
    OAVGBZOFDPFGPJ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC4
    =O)c5c[nH]c6c5cccc6; O=C3C(c2c1ccccc1nc2
    )=C(C(=O)N3)c5nc(nc4ccccc45)N6CCN(C)CC6;
    CN1CCN(CC1)c2nc3ccccc3c(n2)C4=C(C(=O)NC
    4=O)c5c[nH]c6ccccc56    		 3-(1H-indol-3-yl)-4-[2-(4-methylpiperazin-1-yl)quinazolin-4-yl]-1H-pyrrole-2,5-dione
    32687 LW5
    CHEMBL4636881    		 2 C23 H27 F N2 O4 InChI=1S/C23H27FN2O4/c1-1
    4(16-6-4-3-5-7-16)30-21-1
    3-17(12-20(24)22(21)25-15
    (2)27)23(29)26-18-8-10-19
    (28)11-9-18/h3-7,12-14,18
    -19,28H,8-11H2,1-2H3,(H,2
    5,27)(H,26,29)/t14-,18-,1
    9-/m0/s1;
    FRBRZGLUFOZRGD-JVPBZIDWSA-N    		 C[CH](Oc1cc(cc(F)c1NC(C)=O)C(=O)N[CH]2CC
    [CH](O)CC2)c3ccccc3; C[C@H](Oc1cc(cc(F)c
    1NC(C)=O)C(=O)N[C@H]2CC[C@H](O)CC2)c3ccc
    cc3; C[C@@H](c1ccccc1)Oc2cc(cc(c2NC(=O)C
    )F)C(=O)NC3CCC(CC3)O; CC(c1ccccc1)Oc2cc(
    cc(c2NC(=O)C)F)C(=O)NC3CCC(CC3)O    		 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide
    32688 LW6
    ZINC000001576624    		 1 C9 H7 N O InChI=1S/C9H7NO/c11-6-7-2
    -1-3-9-8(7)4-5-10-9/h1-6,
    10H;
    JFDDFGLNZWNJTK-UHFFFAOYSA-N    		 O=Cc1cccc2[nH]ccc12; c1cc(c2cc[nH]c2c1)C
    =O; O=Cc1cccc2[NH]ccc12    		 1H-indole-4-carbaldehyde
    32689 LW7 2 C17 H17 N InChI=1S/C17H17N/c1-2-6-1
    4(7-3-1)10-11-17-16-9-5-4
    -8-15(16)12-13-18-17/h1-9
    H,10-13H2;
    GDEYQNLNJXESFX-UHFFFAOYSA-N    		 c1ccc(cc1)CCC2=NCCc3c2cccc3; C1Cc2ccccc2
    C(=N1)CCc3ccccc3    		 1-(2-phenylethyl)-3,4-dihydroisoquinoline
    32690 LW8
    CHEMBL4303270
    ZINC000001530224    		 25 C9 H16 N3 O2 S InChI=1S/C9H15N3O2S/c1-12
    (2,3)7(8(13)14)4-6-5-10-9
    (15)11-6/h5,7H,4H2,1-3H3,
    (H2-,10,11,13,14,15)/p+1/
    t7-/m0/s1;
    SSISHJJTAXXQAX-ZETCQYMHSA-O    		 C[N+](C)(C)[C@@H](CC1=CNC(=S)N1)C(=O)O;
    C[N+](C)(C)C(CC1=CNC(=S)N1)C(=O)O; C[N+]
    (C)(C)[CH](CC1=CNC(=S)N1)C(O)=O; C[N+](C
    )(C)[C@@H](CC1=CNC(=S)N1)C(O)=O    		 trimethyl-[(2S)-1-oxidanyl-1-oxidanylidene-3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)propan-2-yl]azanium
    32691 LW9
    ZINC000001855981    		 1 C9 H20 InChI=1S/C9H20/c1-4-7-8-9
    (5-2)6-3/h9H,4-8H2,1-3H3;
    PSVQKOKKLWHNRP-UHFFFAOYSA-N    		 CCCCC(CC)CC 3-ethylheptane
    32692 LWA
    ZINC000000804618    		 7 C12 H14 N2 O3 InChI=1S/C12H14N2O3/c13-1
    1(15)8-3-5-9(6-4-8)14-12(
    16)10-2-1-7-17-10/h3-6,10
    H,1-2,7H2,(H2,13,15)(H,14
    ,16)/t10-/m0/s1;
    FSZYBIFIACXSAG-JTQLQIEISA-N    		 c1cc(ccc1C(=O)N)NC(=O)C2CCCO2; NC(=O)c1c
    cc(NC(=O)[C@@H]2CCCO2)cc1; c1cc(ccc1C(=O
    )N)NC(=O)[C@@H]2CCCO2; NC(=O)c1ccc(NC(=O
    )[CH]2CCCO2)cc1    		 (2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide
    32693 LWB
    CHEMBL4639128    		 2 C30 H33 N5 O3 InChI=1S/C30H33N5O3/c1-18
    -29(20(3)38-34-18)24-12-2
    5-23(13-27(24)37-16-21-10
    -11-31-14-21)30-26(15-32-
    25)33-28(17-36-4)35(30)19
    (2)22-8-6-5-7-9-22/h5-9,1
    2-13,15,19,21,31H,10-11,1
    4,16-17H2,1-4H3/t19-,21+/
    m1/s1;
    ZORLJXWXFABTPZ-CTNGQTDRSA-N    		 Cc1c(c(on1)C)c2cc3c(cc2OCC4CCNC4)c5c(cn3
    )nc(n5C(C)c6ccccc6)COC; COCc1nc2cnc3cc(c
    (OC[CH]4CCNC4)cc3c2n1[CH](C)c5ccccc5)c6c
    (C)onc6C; COCc1nc2cnc3cc(c(OC[C@H]4CCNC4
    )cc3c2n1[C@H](C)c5ccccc5)c6c(C)onc6C; Cc
    1c(c(on1)C)c2cc3c(cc2OC[C@H]4CCNC4)c5c(c
    n3)nc(n5[C@H](C)c6ccccc6)COC    		 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole
    32694 LWD
    CHEMBL1400038
    ZINC000000359137    		 4 C16 H12 N2 O InChI=1S/C16H12N2O/c19-16
    (12-5-2-1-3-6-12)18-14-8-
    9-15-13(11-14)7-4-10-17-1
    5/h1-11H,(H,18,19);
    WQBDHSKBYRWNNN-UHFFFAOYSA-N    		 c1ccc(cc1)C(=O)Nc2ccc3c(c2)cccn3; O=C(Nc
    1ccc2ncccc2c1)c3ccccc3    		 ~{N}-quinolin-6-ylbenzamide
    32695 LWE
    CHEMBL2268548
    ZINC000000967523    		 1 C10 H18 O InChI=1S/C10H18O/c1-7(2)9
    -5-4-8(3)6-10(9)11/h7-9H,
    4-6H2,1-3H3/t8-,9+/m0/s1;
    NFLGAXVYCFJBMK-DTWKUNHWSA-N    		 CC(C)[C@H]1CC[C@H](C)CC1=O; C[C@H]1CC[C@
    @H](C(=O)C1)C(C)C; CC1CCC(C(=O)C1)C(C)C;
    CC(C)[CH]1CC[CH](C)CC1=O    		 (+)-menthone
    32696 LWF
    ZINC000076594660    		 0 C7 H10 F2 O2 InChI=1S/C7H10F2O2/c8-7(9
    )3-1-2-5(4-7)6(10)11/h5H,
    1-4H2,(H,10,11)/t5-/m1/s1;
    GSVZSOJKYXYXAX-RXMQYKEDSA-N    		 C1C[C@H](CC(C1)(F)F)C(=O)O; C1CC(CC(C1)(
    F)F)C(=O)O; OC(=O)[CH]1CCCC(F)(F)C1; OC(
    =O)[C@@H]1CCCC(F)(F)C1    		 (1~{R})-3,3-bis(fluoranyl)cyclohexane-1-carboxylic acid
    32697 LWG
    CHEMBL583144
    ZINC000044717144    		 1 C10 H4 Cl2 N2 O S InChI=1S/C10H4Cl2N2OS/c11
    -4-1-2-5(12)8-6(4)7-9(16-
    8)10(15)14-3-13-7/h1-3H,(
    H,13,14,15);
    DJUSDFVEBBYFFL-UHFFFAOYSA-N    		 Clc2c3sc1c(N=CNC1=O)c3c(Cl)cc2; Clc1ccc(
    Cl)c2c1sc3C(=O)NC=Nc23; c1cc(c2c(c1Cl)c3
    c(s2)C(=O)NC=N3)Cl    		 6,9-dichloro[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
    32698 LWH
    CHEMBL1234108
    ZINC000058639130    		 1 C21 H20 N6 O InChI=1S/C21H20N6O/c28-19
    -6-5-13(17-8-10-23-27-17)
    11-16(19)21-25-18-4-2-1-3
    -15(18)20(26-21)24-14-7-9
    -22-12-14/h1-6,8,10-11,14
    ,22,28H,7,9,12H2,(H,23,27
    )(H,24,25,26)/t14-/m0/s1;
    DZNFGQDAMCNMLC-AWEZNQCLSA-N    		 c1ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4
    )NC5CCNC5; Oc1ccc(cc1c2nc(N[CH]3CCNC3)c4
    ccccc4n2)c5[nH]ncc5; Oc1ccc(cc1c2nc(N[C@
    H]3CCNC3)c4ccccc4n2)c5[nH]ncc5; n1c(nc3c
    (c1NC2CCNC2)cccc3)c5cc(c4ccnn4)ccc5O; c1
    ccc2c(c1)c(nc(n2)c3cc(ccc3O)c4ccn[nH]4)N
    [C@H]5CCNC5    		 4-(1H-pyrazol-5-yl)-2-{4-[(3S)-pyrrolidin-3-ylamino]quinazolin-2-yl}phenol
    32699 LWI
    ZINC000004241964    		 0 C10 H14 N2 O2 InChI=1S/C10H14N2O2/c11-6
    -8-4-2-1-3-7(8)5-9(12)10(
    13)14/h1-4,9H,5-6,11-12H2
    ,(H,13,14)/t9-/m0/s1;
    RDAKEAJYLGZEEA-VIFPVBQESA-N    		 NC(Cc1ccccc1CN)C(O)=O; c1ccc(c(c1)C[C@@H
    ](C(=O)O)N)CN; NCc1ccccc1C[C@H](N)C(O)=O
    ; NCc1ccccc1C[CH](N)C(O)=O; c1ccc(c(c1)C
    C(C(=O)O)N)CN    		 2-(aminomethyl)-L-phenylalanine
    32700 LWJ
    CHEMBL3907479
    DB12903
    ZINC000098209140    		 2 C20 H16 N6 O InChI=1S/C20H16N6O/c1-11-
    23-16-7-6-13(9-17(16)24-1
    1)26-20(21)14(10-22-26)19
    (27)18-8-12-4-2-3-5-15(12
    )25-18/h2-10,25H,21H2,1H3
    ,(H,23,24);
    BEMNJULZEQTDJY-UHFFFAOYSA-N    		 Cc1[nH]c2cc(ccc2n1)n3c(c(cn3)C(=O)c4cc5c
    cccc5[nH]4)N; Cc1[nH]c2cc(ccc2n1)n3ncc(c
    3N)C(=O)c4[nH]c5ccccc5c4; O=C(c1c(N)n(nc
    1)c3cc2nc(nc2cc3)C)c5cc4ccccc4n5    		 [5-amino-1-(2-methyl-1H-benzimidazol-6-yl)-1H-pyrazol-4-yl](1H-indol-2-yl)methanone
    32701 LWK 4 C25 H27 N3 O3 InChI=1S/C25H27N3O3/c29-2
    3-9-8-22(24(30)26-23)28-1
    6-20-14-19(6-7-21(20)25(2
    8)31)18-10-12-27(13-11-18
    )15-17-4-2-1-3-5-17/h1-7,
    14,18,22H,8-13,15-16H2,(H
    ,26,29,30)/t22-/m0/s1;
    OMISHRJQMYQPMG-QFIPXVFZSA-N    		 O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1CCN(Cc2
    ccccc2)CC1; c1ccc(cc1)CN2CCC(CC2)c3ccc4c
    (c3)CN(C4=O)C5CCC(=O)NC5=O; O=C1CC[CH](N
    2Cc3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O
    )N1; c1ccc(cc1)CN2CCC(CC2)c3ccc4c(c3)CN(
    C4=O)[C@H]5CCC(=O)NC5=O; O=C1CC[C@H](N2C
    c3cc(ccc3C2=O)C4CCN(CC4)Cc5ccccc5)C(=O)N
    1    		 (3S)-3-[5-(1-benzylpiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
    32702 LWL 4 C11 H17 N4 O InChI=1S/C11H16N4O/c1-15(
    2,3)9-11(16)14-13-8-10-6-
    4-5-7-12-10/h4-8H,9H2,1-3
    H3/p+1;
    DQSNXLQZLFKDAM-UHFFFAOYSA-O    		 C[N+](C)(C)CC(=O)NN=Cc1ccccn1; C[N+](C)(
    C)CC(=O)N/N=C/c1ccccn1    		 N,N,N-trimethyl-2-oxo-2-(2-(pyridin-2-ylmethylene)hydrazineyl)ethan-1-aminium;
    ~{N}-[(~{E})-pyridin-2-ylmethylideneamino]-2-(trimethyl-$l^{4}-azanyl)ethanamide
    32703 LWM
    ZINC000058633690    		 0 C11 H18 N5 O7 P InChI=1S/C11H18N5O7P/c12-
    11-15-9(8(13-4-17)10(19)1
    6-11)14-6-1-5(7(18)2-6)3-
    23-24(20,21)22/h4-7,18H,1
    -3H2,(H,13,17)(H2,20,21,2
    2)(H4,12,14,15,16,19)/t5-
    ,6-,7+/m1/s1;
    UQRLPMGPCBTFTR-QYNIQEEDSA-N    		 C1C(CC(C1COP(=O)(O)O)O)NC2=C(C(=O)NC(=N2
    )N)NC=O; O=C1C(NC=O)=C(N=C(N)N1)NC2CC(CO
    P(=O)(O)O)C(O)C2; NC1=NC(=C(NC=O)C(=O)N1
    )N[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)C2
    ; C1[C@H](C[C@@H]([C@H]1COP(=O)(O)O)O)NC
    2=C(C(=O)NC(=N2)N)NC=O; NC1=NC(=C(NC=O)C
    (=O)N1)N[CH]2C[CH](O)[CH](CO[P](O)(O)=O)
    C2    		 [(1R,2S,4R)-4-{[2-amino-5-(formylamino)-6-oxo-1,6-dihydropyrimidin-4-yl]amino}-2-hydroxycyclopentyl]methyl dihydrogen phosphate
    32704 LWN
    CHEMBL3988766    		 1 C15 H14 F2 N6 O2 InChI=1S/C15H14F2N6O2/c1-
    23-14-9(6-19-23)13(18-7-1
    2(24)25-2)21-15(22-14)20-
    8-3-4-10(16)11(17)5-8/h3-
    6H,7H2,1-2H3,(H2,18,20,21
    ,22);
    IIDIQDPMMHWKNL-UHFFFAOYSA-N    		 Cn1c2c(cn1)c(nc(n2)Nc3ccc(c(c3)F)F)NCC(=
    O)OC; COC(=O)CNc1nc(Nc2ccc(F)c(F)c2)nc3n
    (C)ncc13    		 methyl 2-[[6-[[3,4-bis(fluoranyl)phenyl]amino]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanoate
    32705 LWO
    CHEMBL2442059
    ZINC000096940059    		 1 C20 H19 N5 O S InChI=1S/C20H19N5OS/c1-21
    -16-6-8-17(9-7-16)24(12-1
    5-10-11-27-14-15)20(26)13
    -25-19-5-3-2-4-18(19)22-2
    3-25/h2-11,14,21H,12-13H2
    ,1H3;
    RMLYDSUPMGBCJP-UHFFFAOYSA-N    		 CNc1ccc(cc1)N(Cc2ccsc2)C(=O)Cn3c4ccccc4n
    n3; O=C(Cn1nnc2ccccc21)N(Cc1ccsc1)c1ccc(
    NC)cc1; CNc1ccc(cc1)N(Cc2cscc2)C(=O)Cn3n
    nc4ccccc34    		 2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide
    32706 LWQ
    CHEMBL409247
    ZINC000003986163    		 0 C27 H23 N5 O2 InChI=1S/C27H21N5O2/c1-31
    -16-20(14-18-8-3-5-12-24(
    18)31)28-26(33)22-10-7-11
    -23(30-22)27(34)29-21-15-
    19-9-4-6-13-25(19)32(2)17
    -21/h3-17H,1-2H3/p+2;
    KPOOEJJPTYXNTN-UHFFFAOYSA-P    		 C[n+]1cc(cc2c1cccc2)NC(=O)c3cccc(n3)C(=O
    )Nc4cc5ccccc5[n+](c4)C; C[n+]1cc(NC(=O)c
    2cccc(n2)C(=O)Nc3cc4ccccc4[n+](C)c3)cc5c
    cccc15    		 ~{N}2,~{N}6-bis(1-methylquinolin-1-ium-3-yl)pyridine-2,6-dicarboxamide
    32707 LWR 3 C53 H84 N2 O13 InChI=1S/C53H84N2O13/c1-1
    2-66-54-41-31-45(35(5)28-
    39-22-24-43(56)46(29-39)6
    4-10)67-52(61)42-20-16-17
    -25-55(42)51(60)50(59)53(
    62)38(8)21-23-40(68-53)30
    -44(63-9)33(3)19-15-13-14
    -18-32(2)26-36(6)47(57)49
    (65-11)48(58)37(7)27-34(4
    1)4/h13-15,18-19,27,32,34
    -36,38-40,42-46,48-49,56,
    58,62H,12,16-17,20-26,28-
    31H2,1-11H3/b15-13+,18-14
    +,33-19+,37-27+,54-41-/t3
    2-,34-,35-,36-,38-,39+,40
    +,42+,43-,44+,45+,46-,48-
    ,49+,53-/m1/s1;
    IXUFGPUKUHVQKU-PMNVLHNXSA-N    		 CCO/N=C\1/C[C@H](OC(=O)[C@@H]2CCCCN2C(=O
    )C(=O)[C@]3([C@@H](CC[C@H](O3)C[C@@H](/C
    (=C/C=C/C=C/[C@H](C[C@H](C(=O)[C@@H]([C@
    @H](/C(=C/[C@H]1C)/C)O)OC)C)C)/C)OC)C)O)
    [C@H](C)C[C@@H]4CC[C@H]([C@@H](C4)OC)O;
    CCON=C1C[CH](OC(=O)[CH]2CCCCN2C(=O)C(=O)
    [C]3(O)O[CH](CC[CH]3C)C[CH](OC)C(=CC=CC=
    C[CH](C)C[CH](C)C(=O)[CH](OC)[CH](O)C(=C
    [CH]1C)C)C)[CH](C)C[CH]4CC[CH](O)[CH](C4
    )OC; CCON=C1CC(OC(=O)C2CCCCN2C(=O)C(=O)C
    3(C(CCC(O3)CC(C(=CC=CC=CC(CC(C(=O)C(C(C(
    =CC1C)C)O)OC)C)C)C)OC)C)O)C(C)CC4CCC(C(C
    4)OC)O; OC1CCC(CC1OC)CC(C)C1OC(=O)C2CCCC
    N2C(=O)C(=O)C2(O)OC(CC(OC)C(C)=CC=CC=CC(
    C)CC(C)C(=O)C(OC)C(O)C(C)=CC(C)C(=N\OCC)
    /C1)CCC2C; CCO\N=C/1C[C@H](OC(=O)[C@@H]2
    CCCCN2C(=O)C(=O)[C@]3(O)O[C@@H](CC[C@H]3
    C)C[C@H](OC)C(=C\C=C\C=C\[C@@H](C)C[C@@H
    ](C)C(=O)[C@H](OC)[C@H](O)/C(=C/[C@H]/1C
    )C)\C)[C@H](C)C[C@@H]4CC[C@@H](O)[C@@H](
    C4)OC    		 (3S,5Z,6R,7E,9R,10R,12R,14S,15E,17E,19E,21S,23S,26R,27R,30R,34aS)-5-(ethoxyimino)-9,27-dihydroxy-3-{(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl}-10,21-dimethoxy-6,8,12,14,20,26-hexamethyl-5,6,9,10,12,13,14,21,22,23,24,25,26,27,32,33,34,34a-octadecahydro-3H-23,27-epoxypyrido[2,1-c][1,4]oxazacyclohentriacontine-1,11,28,29(4H,31H)-tetrone
    32708 LWS
    CHEMBL4534216
    ZINC000230473005    		 1 C15 H15 F N2 O InChI=1S/C15H15FN2O/c1-15
    (2)10-7-9(12-5-4-6-18(12)
    3)8-11(16)13(10)17-14(15)
    19/h4-8H,1-3H3,(H,17,19);
    HNCQSUFMNDUIEX-UHFFFAOYSA-N    		 Cn1cccc1c2cc(F)c3NC(=O)C(C)(C)c3c2; CC1(
    c2cc(cc(c2NC1=O)F)c3cccn3C)C    		 7-fluoranyl-3,3-dimethyl-5-(1-methylpyrrol-2-yl)-1H-indol-2-one
    32709 LWT 1 C18 H19 Cl N2 O2 S InChI=1S/C18H19ClN2O2S/c1
    9-16-7-2-1-4-14(16)18-13-
    6-3-5-12(13)15-10-11(24(2
    0,22)23)8-9-17(15)21-18/h
    1-2,4,7-10,12-13,18,21H,3
    ,5-6H2,(H2,20,22,23)/t12-
    ,13+,18-/m0/s1;
    OHOLRUMFOHOXGB-JCGVRSQUSA-N    		 N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]3CCC[C@@
    H]3c2c1)c4ccccc4Cl; c1ccc(c(c1)C2C3CCCC3
    c4cc(ccc4N2)S(=O)(=O)N)Cl; c1ccc(c(c1)[C
    @@H]2[C@@H]3CCC[C@@H]3c4cc(ccc4N2)S(=O)(
    =O)N)Cl; N[S](=O)(=O)c1ccc2N[CH]([CH]3CC
    C[CH]3c2c1)c4ccccc4Cl    		 4-(2-chlorophenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-8-sulfonamide
    32710 LWU 1 C19 H20 N5 O3 InChI=1S/C19H19N5O3/c25-1
    7(13-24-9-5-2-6-10-24)23-
    20-12-15-11-16(19(26)27)2
    2-18(21-15)14-7-3-1-4-8-1
    4/h1-11,19-20,26-27H,12-1
    3H2/p+1;
    JPVVLHGFGWJHHI-UHFFFAOYSA-O    		 c1ccc(cc1)c2nc(cc(n2)C(O)O)CNNC(=O)C[n+]
    3ccccc3; OC(O)c1cc(CNNC(=O)C[n+]2ccccc2)
    nc(n1)c3ccccc3    		 1-(2-(2-((6-(dihydroxymethyl)-2-phenylpyrimidin-4-yl)methylene)hydrazineyl)-2-oxoethyl)pyridin-1-ium;
    ~{N}'-[[6-[bis(oxidanyl)methyl]-2-phenyl-pyrimidin-4-yl]methyl]-2-pyridin-1-yl-ethanehydrazide
    32711 LWV
    CHEMBL1333997
    ZINC000000152601    		 3 C10 H14 N2 O InChI=1S/C10H14N2O/c11-9-
    3-1-2-4-10(9)12-5-7-13-8-
    6-12/h1-4H,5-8,11H2;
    QKWLVAYDAHQMLG-UHFFFAOYSA-N    		 c1ccc(c(c1)N)N2CCOCC2; Nc1ccccc1N2CCOCC2 2-morpholin-4-ylaniline
    32712 LWW
    CHEMBL2419503
    ZINC000095920881    		 2 C21 H17 N3 O3 S InChI=1S/C21H17N3O3S/c25-
    21(20-12-16-14-22-11-10-1
    9(16)24-20)23-13-15-6-8-1
    8(9-7-15)28(26,27)17-4-2-
    1-3-5-17/h1-12,14,24H,13H
    2,(H,23,25);
    LGQSNALVWIMFPP-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)c2ccc(cc2)CNC(=O)c3cc
    4cnccc4[nH]3; O=C(NCc1ccc(cc1)[S](=O)(=O
    )c2ccccc2)c3[nH]c4ccncc4c3; O=S(=O)(c1cc
    ccc1)c2ccc(cc2)CNC(=O)c4cc3c(ccnc3)n4    		 N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
    32713 LWX 4 C30 H33 Br N6 O2 InChI=1S/C30H33BrN6O2/c1-
    20-16-22(9-10-27(20)36-13
    -11-35(2)12-14-36)33-30-3
    2-18-21-17-25(24-7-3-4-8-
    26(24)31)29(38)37(28(21)3
    4-30)19-23-6-5-15-39-23/h
    3-4,7-10,16-18,23H,5-6,11
    -15,19H2,1-2H3,(H,32,33,3
    4)/t23-/m0/s1;
    MMGYUMBPTKHMTO-QHCPKHFHSA-N    		 Cc1cc(ccc1N2CCN(CC2)C)Nc3ncc4c(n3)N(C(=O
    )C(=C4)c5ccccc5Br)C[C@@H]6CCCO6; CN1CCN(
    CC1)c2ccc(Nc3ncc4C=C(C(=O)N(C[CH]5CCCO5)
    c4n3)c6ccccc6Br)cc2C; Cc1cc(ccc1N2CCN(CC
    2)C)Nc3ncc4c(n3)N(C(=O)C(=C4)c5ccccc5Br)
    CC6CCCO6; CN1CCN(CC1)c2ccc(Nc3ncc4C=C(C(
    =O)N(C[C@@H]5CCCO5)c4n3)c6ccccc6Br)cc2C    		 6-(2-bromophenyl)-2-[[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino]-8-[[(2S)-oxolan-2-yl]methyl]pyrido[2,3-d]pyrimidin-7-one
    32714 LWY 16 C6 H12 N O4 P InChI=1S/C6H12NO4P/c1-12(
    10,11)7-4-2-3-5(7)6(8)9/h
    5H,2-4H2,1H3,(H,8,9)(H,10
    ,11)/t5-/m0/s1;
    IIXOSEXCIQDQTO-YFKPBYRVSA-N    		 C[P](O)(=O)N1CCC[C@H]1C(O)=O; C[P](O)(=O
    )N1CCC[CH]1C(O)=O; C[P@](=O)(N1CCC[C@H]1
    C(=O)O)O; CP(=O)(N1CCCC1C(=O)O)O    		 1-[(R)-hydroxy(methyl)phosphoryl]-L-proline
    32715 LWZ 1 C6 H10 N4 O S2 InChI=1S/C6H10N4OS2/c11-5
    (1-6(12)13)7-2-4-3-8-10-9
    -4/h3,6,12-13H,1-2H2,(H,7
    ,11)(H,8,9,10);
    AIOYUZNWKHEZES-UHFFFAOYSA-N    		 c1c(nn[nH]1)CNC(=O)CC(S)S; SC(S)CC(=O)NC
    c1c[nH]nn1    		 3,3-bis(sulfanyl)-~{N}-(1~{H}-1,2,3-triazol-4-ylmethyl)propanamide
    32716 LX0
    CHEMBL470084
    ZINC000040395096    		 1 C24 H24 N6 O2 InChI=1S/C24H24N6O2/c1-14
    (18-11-10-16-4-2-3-5-19(1
    6)13-18)27-24-29-21(28-23
    (26)30-24)17-8-6-15(7-9-1
    7)12-20(25)22(31)32/h2-11
    ,13-14,20H,12,25H2,1H3,(H
    ,31,32)(H3,26,27,28,29,30
    )/t14-,20+/m1/s1;
    UXYOCRLZKBFANG-VLIAUNLRSA-N    		 C[C@@H](Nc1nc(N)nc(n1)c2ccc(C[C@H](N)C(O
    )=O)cc2)c3ccc4ccccc4c3; CC(c1ccc2ccccc2c
    1)Nc3nc(nc(n3)N)c4ccc(cc4)CC(C(=O)O)N; C
    [C@H](c1ccc2ccccc2c1)Nc3nc(nc(n3)N)c4ccc
    (cc4)C[C@@H](C(=O)O)N; O=C(O)C(N)Cc4ccc(
    c1nc(nc(n1)NC(c3cc2ccccc2cc3)C)N)cc4; C[
    CH](Nc1nc(N)nc(n1)c2ccc(C[CH](N)C(O)=O)c
    c2)c3ccc4ccccc4c3    		 4-(4-amino-6-{[(1R)-1-naphthalen-2-ylethyl]amino}-1,3,5-triazin-2-yl)-L-phenylalanine
    32717 LX1
    ZINC000006494205    		 4 C5 H13 O7 P InChI=1S/C5H13O7P/c1-3(6)
    5(8)4(7)2-12-13(9,10)11/h
    3-8H,2H2,1H3,(H2,9,10,11)
    /t3-,4+,5+/m1/s1;
    YPXGTKHZRCDZTL-WISUUJSJSA-N    		 O=P(O)(O)OCC(O)C(O)C(O)C; CC(C(C(COP(=O)
    (O)O)O)O)O; C[C@H]([C@@H]([C@H](COP(=O)(
    O)O)O)O)O; C[C@@H](O)[C@H](O)[C@@H](O)CO
    [P](O)(O)=O; C[CH](O)[CH](O)[CH](O)CO[P]
    (O)(O)=O    		 L-XYLULOSE 5-PHOSPHATE
    32718 LX2
    CHEMBL446208
    ZINC000039716198    		 2 C35 H32 Cl F3 N2 O3 InChI=1S/C35H32ClF3N2O3/c
    36-34-27(14-7-15-30(34)35
    (37,38)39)22-40(23-29(25-
    10-3-1-4-11-25)26-12-5-2-
    6-13-26)19-9-21-44-32-17-
    8-16-31-28(32)18-20-41(31
    )24-33(42)43/h1-8,10-18,2
    0,29H,9,19,21-24H2,(H,42,
    43);
    RHWNXOWPCIQOAH-UHFFFAOYSA-N    		 c1ccc(cc1)C(CN(CCCOc2cccc3c2ccn3CC(=O)O)
    Cc4cccc(c4Cl)C(F)(F)F)c5ccccc5; c1ccc(cc
    1)C(C[N@](CCCOc2cccc3c2ccn3CC(=O)O)Cc4cc
    cc(c4Cl)C(F)(F)F)c5ccccc5; OC(=O)Cn1ccc2
    c(OCCCN(CC(c3ccccc3)c4ccccc4)Cc5cccc(c5C
    l)C(F)(F)F)cccc12; FC(F)(F)c1cccc(c1Cl)C
    N(CC(c2ccccc2)c3ccccc3)CCCOc4cccc5c4ccn5
    CC(=O)O    		 [4-(3-{[2-chloro-3-(trifluoromethyl)benzyl](2,2-diphenylethyl)amino}propoxy)-1H-indol-1-yl]acetic acid
    32719 LX3
    CHEMBL4203464    		 1 C28 H42 O3 InChI=1S/C28H42O3/c1-5-6-
    13-23(15-16-24-19-26(29)2
    0-27(30)21(24)2)25-14-10-
    12-22(18-25)11-8-7-9-17-2
    8(3,4)31/h10,12,14-16,18,
    26-27,29-31H,2,5-9,11,13,
    17,19-20H2,1,3-4H3/b23-15
    +,24-16-/t26-,27+/m1/s1;
    UWAWDTCFOCGFNY-NTWKYLMFSA-N    		 CCCCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCC
    CCC(C)(C)O; CCCC\C(=C/C=C\1C[C@@H](O)C[C
    @H](O)C\1=C)c2cccc(CCCCCC(C)(C)O)c2; CCC
    C/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c2
    cccc(c2)CCCCCC(C)(C)O; CCCCC(=CC=C1C[CH]
    (O)C[CH](O)C1=C)c2cccc(CCCCCC(C)(C)O)c2    		 (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-heptyl)phenyl]hept-2-enylidene]cyclohexane-1,3-diol
    32720 LX4
    CHEMBL1584433
    ZINC000000359210    		 1 C10 H16 N2 O2 InChI=1S/C10H16N2O2/c13-9
    -7-12(6-5-11-9)10(14)8-3-
    1-2-4-8/h8H,1-7H2,(H,11,1
    3);
    UOBXMAPJTCMNSY-UHFFFAOYSA-N    		 O=C1CN(CCN1)C(=O)C2CCCC2; C1CCC(C1)C(=O)
    N2CCNC(=O)C2    		 4-cyclopentylcarbonylpiperazin-2-one
    32721 LX5 4 C6 H12 O7 S InChI=1S/C6H12O7S/c7-2-3-
    5(13-14(10,11)12)1-4(8)6(
    3)9/h3-9H,1-2H2,(H,10,11,
    12)/t3-,4+,5+,6+/m1/s1;
    WLWVVBPJYHXDMI-VANKVMQKSA-N    		 OC[CH]1[CH](O)[CH](O)C[CH]1O[S](O)(=O)=O
    ; OC[C@H]1[C@H](O)[C@@H](O)C[C@@H]1O[S](
    O)(=O)=O; C1[C@@H]([C@H]([C@@H]([C@H]1OS
    (=O)(=O)O)CO)O)O; C1C(C(C(C1OS(=O)(=O)O)
    CO)O)O    		 [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl] hydrogen sulfate
    32722 LX6
    CHEMBL1632047
    ZINC000000126979    		 2 C9 H10 N2 S InChI=1S/C9H10N2S/c10-5-7
    -6-3-1-2-4-8(6)12-9(7)11/
    h1-4,11H2;
    ADHVMGAFAKSNOM-UHFFFAOYSA-N    		 Nc1sc2CCCCc2c1C#N; N#Cc1c2CCCCc2sc1N; C1
    CCc2c(c(c(s2)N)C#N)C1    		 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
    32723 LX7
    ZINC000000102761    		 4 C8 H7 F3 N2 O S InChI=1S/C8H7F3N2OS/c9-8(
    10,11)14-6-3-1-5(2-4-6)13
    -7(12)15/h1-4H,(H3,12,13,
    15);
    UCOXNOVULREFCO-UHFFFAOYSA-N    		 NC(=S)Nc1ccc(OC(F)(F)F)cc1; c1cc(ccc1NC(
    =S)N)OC(F)(F)F    		 1-[4-(trifluoromethyloxy)phenyl]thiourea
    32724 LX8
    CHEMBL3577084
    ZINC000001558484    		 1 C21 H24 O5 InChI=1S/C21H24O5/c1-7-20
    (3,4)15-9-13-8-14-10-18(2
    1(5,6)26-12(2)22)24-16(14
    )11-17(13)25-19(15)23/h7-
    9,11,18H,1,10H2,2-6H3/t18
    -/m0/s1;
    AWMHMGFGCLBSAY-SFHVURJKSA-N    		 CC(=O)OC(C)(C)[C@@H]1Cc2cc3c(cc2O1)OC(=O
    )C(=C3)C(C)(C)C=C; CC(=O)OC(C)(C)C1Cc2cc
    3c(cc2O1)OC(=O)C(=C3)C(C)(C)C=C; CC(=O)O
    C(C)(C)[C@@H]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(
    C)(C)C=C; O=C(OC(C)(C)C3Oc2cc1OC(=O)C(=C
    c1cc2C3)C(/C=C)(C)C)C; CC(=O)OC(C)(C)[CH
    ]1Cc2cc3C=C(C(=O)Oc3cc2O1)C(C)(C)C=C    		 2-[(2S)-6-(2-methylbut-3-en-2-yl)-7-oxo-2,3-dihydro-7H-furo[3,2-g]chromen-2-yl]propan-2-yl acetate
    32725 LX9
    CHEMBL597839
    ZINC000044460344    		 1 C26 H21 N5 O InChI=1S/C26H21N5O/c27-25
    -23(19-6-7-22-20(12-19)9-
    11-29-26(22)32)15-31(30-2
    5)21-3-1-2-17(13-21)18-5-
    4-16-8-10-28-24(16)14-18/
    h1-8,10,12-15,28H,9,11H2,
    (H2,27,30)(H,29,32);
    ZTKOUSVWVUFWQC-UHFFFAOYSA-N    		 c1cc(cc(c1)n2cc(c(n2)N)c3ccc4c(c3)CCNC4=
    O)c5ccc6cc[nH]c6c5; Nc1nn(cc1c2ccc3C(=O)
    NCCc3c2)c4cccc(c4)c5ccc6cc[nH]c6c5    		 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one
    32726 LXA
    CHEMBL1409021
    ZINC000000200675    		 10 C11 H13 N3 O2 InChI=1S/C11H13N3O2/c1-16
    -7-11(15)12-6-10-13-8-4-2
    -3-5-9(8)14-10/h2-5H,6-7H
    2,1H3,(H,12,15)(H,13,14);
    LZINBAGZNCYRNQ-UHFFFAOYSA-N    		 COCC(=O)NCc1[nH]c2ccccc2n1 ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide
    32727 LXB
    ZINC000000901459    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6+,7
    +,8-/m1/s1;
    OVRNDRQMDRJTHS-QQGCVABSSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](
    O)[C@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C; C
    C(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@@H]
    1[C@@H]([C@H]([C@H](O[C@H]1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-gulopyranose;
    N-acetyl-beta-D-gulosamine;
    2-acetamido-2-deoxy-beta-D-gulose;
    2-acetamido-2-deoxy-D-gulose;
    2-acetamido-2-deoxy-gulose;
    2-(acetylamino)-2-deoxy-beta-D-gulopyranose
    32728 LXC
    ZINC000001532561    		 3 C5 H10 O5 InChI=1S/C5H10O5/c6-2-1-1
    0-5(9)4(8)3(2)7/h2-9H,1H2
    /t2-,3+,4-,5-/m0/s1;
    SRBFZHDQGSBBOR-QTBDOELSSA-N    		 C1C(C(C(C(O1)O)O)O)O; C1[C@@H]([C@H]([C@
    @H]([C@H](O1)O)O)O)O; O[CH]1CO[CH](O)[CH
    ](O)[CH]1O; O[C@H]1CO[C@H](O)[C@@H](O)[C
    @@H]1O; OC1C(O)COC(O)C1O    		 beta-L-xylopyranose;
    beta-L-xylose;
    L-xylose;
    xylose;
    L-XYLOSE (CYCLIC FORM)
    32729 LXD
    CHEMBL5218642    		 1 C30 H37 N9 O2 S InChI=1S/C30H37N9O2S/c1-5
    -25(40)38-12-10-37(11-13-
    38)20-15-22(33-24(16-20)3
    9-14-9-36(4)18-19(39)2)28
    -34-29(41-35-28)30(3)8-6-
    7-23-26(30)21(17-31)27(32
    )42-23/h5,15-16,19H,1,6-1
    4,18,32H2,2-4H3/t19-,30-/
    m0/s1;
    CKAMBYUZKWQCKJ-ADSBAMQRSA-N    		 C[C@H]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)[C@@
    ]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=O)
    C=C; C[CH]1CN(C)CCN1c2cc(cc(n2)c3noc(n3)
    [C]4(C)CCCc5sc(N)c(C#N)c45)N6CCN(CC6)C(=
    O)C=C; CC1CN(CCN1c2cc(cc(n2)c3nc(on3)C4(
    CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O)C=C
    )C; C[C@H]1CN(CCN1c2cc(cc(n2)c3nc(on3)[C
    @]4(CCCc5c4c(c(s5)N)C#N)C)N6CCN(CC6)C(=O
    )C=C)C    		 (4~{S})-2-azanyl-4-[3-[6-[(2~{S})-2,4-dimethylpiperazin-1-yl]-4-(4-prop-2-enoylpiperazin-1-yl)pyridin-2-yl]-1,2,4-oxadiazol-5-yl]-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
    32730 LXE 4 C6 H14 N O3 InChI=1S/C6H13NO3/c7-4-1-
    5(9)6(10)3(4)2-8/h3-6,8-1
    0H,1-2,7H2/p+1/t3-,4+,5+,
    6+/m1/s1;
    XJKPQBOZNVQXOP-VANKVMQKSA-O    		 C1C(C(C(C1O)O)CO)[NH3+]; [NH3+][CH]1C[CH
    ](O)[CH](O)[CH]1CO; C1[C@@H]([C@H]([C@@H
    ]([C@H]1O)O)CO)[NH3+]; [NH3+][C@H]1C[C@H
    ](O)[C@@H](O)[C@@H]1CO    		 [(1~{S},2~{S},3~{S},4~{S})-2-(hydroxymethyl)-3,4-bis(oxidanyl)cyclopentyl]azanium
    32731 LXF 1 C17 H17 N3 O3 S2 InChI=1S/C17H17N3O3S2/c1-
    12(21)19-17-20-16-14(24-1
    7)8-5-9-15(16)25(22,23)18
    -11-10-13-6-3-2-4-7-13/h2
    -9,18H,10-11H2,1H3,(H,19,
    20,21);
    UNUUEHGQHLOCFZ-UHFFFAOYSA-N    		 CC(=O)Nc1sc2cccc(c2n1)[S](=O)(=O)NCCc3cc
    ccc3; CC(=O)Nc1nc2c(s1)cccc2S(=O)(=O)NCC
    c3ccccc3; O=S(=O)(NCCc1ccccc1)c1cccc2sc(
    nc12)NC(C)=O    		 N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide
    32732 LXG
    CHEMBL576387
    ZINC000044715907    		 1 C18 H19 N3 O S InChI=1S/C18H19N3OS/c1-21
    (2)10-15-19-16-13-9-12(6-
    5-11-3-4-11)7-8-14(13)23-
    17(16)18(22)20-15/h5-9,11
    H,3-4,10H2,1-2H3,(H,19,20
    ,22)/b6-5+;
    CPHAAKSWOQSYIW-AATRIKPKSA-N    		 CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)C=CC4CC4
    ; CN(C)CC1=Nc2c3cc(ccc3sc2C(=O)N1)/C=C/C
    4CC4; CN(C)CC1=Nc2c(sc3ccc(C=CC4CC4)cc23
    )C(=O)N1; CN(C)CC1=Nc2c(sc3ccc(/C=C/C4CC
    4)cc23)C(=O)N1; O=C2NC(=Nc1c4c(sc12)ccc(
    /C=C/C3CC3)c4)CN(C)C    		 8-[(E)-2-cyclopropylethenyl]-2-[(dimethylamino)methyl][1]benzothieno[3,2-d]pyrimidin-4(3H)-one
    32733 LXH
    ZINC000037624047    		 2 C10 H12 O2 InChI=1S/C10H12O2/c1-8(10
    (11)12-2)9-6-4-3-5-7-9/h3
    -8H,1-2H3/t8-/m0/s1;
    DZIQUZJSNSZOCH-QMMMGPOBSA-N    		 C[C@@H](c1ccccc1)C(=O)OC; COC(=O)[CH](C)
    c1ccccc1; CC(c1ccccc1)C(=O)OC; COC(=O)[C
    @@H](C)c1ccccc1    		 methyl (2~{S})-2-phenylpropanoate
    32734 LXI 0 C13 H17 N8 O6 P S InChI=1S/C13H17N8O6PS/c14
    -12-18-9-6(10(24)19-12)17
    -4-20(9)11-8(23)7(22)5(27
    -11)3-26-28(25,29)21-2-1-
    16-13(21)15/h1-2,4-5,7-8,
    11,22-23H,3H2,(H2,15,16)(
    H,25,29)(H3,14,18,19,24)/
    t5-,7-,8-,11-,28-/m1/s1;
    KURJQYGWAXZKPO-RMPAVHDKSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](S)
    (=O)n4ccnc4N)[CH](O)[CH]3O; NC1=Nc2n(cnc
    2C(=O)N1)[C@@H]3O[C@H](CO[P@](S)(=O)n4cc
    nc4N)[C@@H](O)[C@H]3O; c1cn(c(n1)N)[P@@]
    (=O)(OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cn
    c4c3N=C(NC4=O)N)O)O)S; Nc1nccn1P(=O)(S)O
    CC1OC(n2cnc3c2N=C(N)NC3=O)C(O)C1O; c1cn(
    c(n1)N)P(=O)(OCC2C(C(C(O2)n3cnc4c3N=C(NC
    4=O)N)O)O)S    		 5'-O-[(R)-(2-amino-1H-imidazol-1-yl)(sulfanyl)phosphoryl]guanosine
    32735 LXJ 1 C15 H16 N2 O2 InChI=1S/C15H16N2O2/c18-1
    4-13-7-9-17(8-6-12(13)10-
    16-14)15(19)11-4-2-1-3-5-
    11/h1-6,8,12-13H,7,9-10H2
    ,(H,16,18)/t12-,13+/m1/s1;
    KCUQXPDGHOUBAD-OLZOCXBDSA-N    		 O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3;
    O=C1NC[C@H]2C=CN(CC[C@H]12)C(=O)c3ccccc3
    ; c1ccc(cc1)C(=O)N2CCC3C(CNC3=O)C=C2; c1
    ccc(cc1)C(=O)N2CC[C@H]3[C@@H](CNC3=O)C=C
    2    		 (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one
    32736 LXK
    CHEMBL5219175    		 1 C11 H14 N2 S InChI=1S/C11H14N2S/c1-11(
    2)5-3-4-8-9(11)7(6-12)10(
    13)14-8/h3-5,13H2,1-2H3;
    RANGIXHAOGTFIH-UHFFFAOYSA-N    		 CC1(C)CCCc2sc(N)c(C#N)c12; CC1(CCCc2c1c(
    c(s2)N)C#N)C    		 2-azanyl-4,4-dimethyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
    32737 LXL
    CHEMBL552212
    ZINC000043024000    		 2 C24 H30 N6 O2 InChI=1S/C24H30N6O2/c1-5-
    8-19(18-9-7-12-25-15-18)2
    8-22-16(3)14-27-23(30-22)
    17-10-11-20(21(13-17)32-4
    )29-24(31)26-6-2/h7,9-15,
    19H,5-6,8H2,1-4H3,(H2,26,
    29,31)(H,27,28,30)/t19-/m
    0/s1;
    MTJHLONVHHPNSI-IBGZPJMESA-N    		 CCC[C@@H](c1cccnc1)Nc2c(cnc(n2)c3ccc(c(c
    3)OC)NC(=O)NCC)C; CCC[CH](Nc1nc(ncc1C)c2
    ccc(NC(=O)NCC)c(OC)c2)c3cccnc3; CCCC(c1c
    ccnc1)Nc2c(cnc(n2)c3ccc(c(c3)OC)NC(=O)NC
    C)C; CCC[C@H](Nc1nc(ncc1C)c2ccc(NC(=O)NC
    C)c(OC)c2)c3cccnc3; CCNC(=O)Nc1ccc(cc1OC
    )c2ncc(C)c(n2)NC(CCC)c3cnccc3    		 1-ethyl-3-[2-methoxy-4-(5-methyl-4-{[(1S)-1-(pyridin-3-yl)butyl]amino}pyrimidin-2-yl)phenyl]urea;
    Lexibulin
    32738 LXM 1 C18 H17 N O3 InChI=1S/C18H17NO3/c20-11
    -13-10-19(18(21)12-6-2-1-
    3-7-12)16-14-8-4-5-9-15(1
    4)22-17(13)16/h1-9,13,16-
    17,20H,10-11H2/t13-,16-,1
    7-/m0/s1;
    VKQHNAPJGDBELB-JQFCIGGWSA-N    		 OC[C@@H]1CN([C@@H]2[C@H]1Oc3ccccc23)C(=O
    )c4ccccc4; c1ccc(cc1)C(=O)N2C[C@H]([C@H]
    3[C@@H]2c4ccccc4O3)CO; OC[CH]1CN([CH]2[C
    H]1Oc3ccccc23)C(=O)c4ccccc4; c1ccc(cc1)C
    (=O)N2CC(C3C2c4ccccc4O3)CO    		 [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone
    32739 LXN
    CHEMBL1096009
    ZINC000001631379    		 2 C4 H2 N2 O4 InChI=1S/C4H2N2O4/c7-1-2(
    8)5-4(10)6-3(1)9/h(H2,5,6
    ,8,9,10);
    HIMXGTXNXJYFGB-UHFFFAOYSA-N    		 O=C1C(=O)NC(=O)NC1=O; O=C1NC(=O)C(=O)C(=
    O)N1; C1(=O)C(=O)NC(=O)NC1=O    		 ALLOXAN;
    MESOXALYLUREA
    32740 LXO 4 C9 H12 N2 O2 InChI=1S/C9H12N2O2/c12-9(
    13)2-1-5-11-8-3-6-10-7-4-
    8/h3-4,6-7H,1-2,5H2,(H,10
    ,11)(H,12,13);
    HPDCDJWQNLPXFS-UHFFFAOYSA-N    		 c1cnccc1NCCCC(=O)O; OC(=O)CCCNc1ccncc1 4-(pyridin-4-ylamino)butanoic acid
    32741 LXP
    DB02630    		 2 C5 H13 O8 P InChI=1S/C5H13O8P/c6-1-3(
    7)5(9)4(8)2-13-14(10,11)1
    2/h3-9H,1-2H2,(H2,10,11,1
    2)/t3-,4+,5+/m1/s1;
    VJDOAZKNBQCAGE-WISUUJSJSA-N    		 C([C@H]([C@@H]([C@H](COP(=O)(O)O)O)O)O)O
    ; C(C(C(C(COP(=O)(O)O)O)O)O)O; OC[CH](O)
    [CH](O)[CH](O)CO[P](O)(O)=O; OC[C@@H](O)
    [C@H](O)[C@@H](O)CO[P](O)(O)=O; O=P(O)(O
    )OCC(O)C(O)C(O)CO    		 L-XYLITOL 5-PHOSPHATE
    32742 LXQ
    ZINC000019686084    		 2 C7 H11 N O3 InChI=1S/C7H11NO3/c1-5(9)
    8-3-2-6(4-8)7(10)11/h6H,2
    -4H2,1H3,(H,10,11)/t6-/m1
    /s1;
    FEQQMBBBBFVNMN-ZCFIWIBFSA-N    		 CC(=O)N1CCC(C1)C(=O)O; CC(=O)N1CC[CH](C1
    )C(O)=O; CC(=O)N1CC[C@H](C1)C(=O)O; CC(=
    O)N1CC[C@H](C1)C(O)=O    		 (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid
    32743 LXR 0 C13 H17 N8 O6 P InChI=1S/C13H17N8O6P/c14-
    10-7-11(18-4-17-10)20(5-1
    9-7)12-9(23)8(22)6(27-12)
    3-26-28(24,25)21-2-1-16-1
    3(21)15/h1-2,4-6,8-9,12,2
    2-23H,3H2,(H2,15,16)(H,24
    ,25)(H2,14,17,18)/t6-,8-,
    9-,12-/m1/s1;
    VRUNWCWGNRYOCC-WOUKDFQISA-N    		 c1cn(c(n1)N)P(=O)(O)OCC2C(C(C(O2)n3cnc4c
    3ncnc4N)O)O; Nc1nccn1P(=O)(O)OCC1OC(n2cn
    c3c(N)ncnc32)C(O)C1O; Nc1nccn1[P](O)(=O)
    OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(
    N)ncnc34; c1cn(c(n1)N)P(=O)(O)OC[C@@H]2[
    C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O)O;
    Nc1nccn1[P](O)(=O)OC[CH]2O[CH]([CH](O)[
    CH]2O)n3cnc4c(N)ncnc34    		 5'-O-[(S)-(2-amino-1H-imidazol-1-yl)(hydroxy)phosphoryl]adenosine
    32744 LXS 2 C15 H16 N2 O4 InChI=1S/C15H16N2O4/c1-2-
    16-10(18)7-17(15(16)20)11
    -12(19)14-9-6-4-3-5-8(9)1
    3(11)21-14/h3-6,11-14,19H
    ,2,7H2,1H3/t11-,12-,13-,1
    4+/m0/s1;
    GHZIAZMBFWRVPL-XDQVBPFNSA-N    		 CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[
    C@H]([C@H]2O)O3; CCN1C(=O)CN([C@H]2[C@H]
    (O)[C@@H]3O[C@H]2c4ccccc34)C1=O; CCN1C(=
    O)CN(C1=O)C2C3c4ccccc4C(C2O)O3; CCN1C(=O
    )CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=
    O    		 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione
    32745 LXT
    ZINC000066157031    		 4 C38 H44 N4 O3 InChI=1S/C38H44N4O3/c1-28
    -17-19-32(20-18-28)27-40-
    37(44)34(25-22-30-13-7-3-
    8-14-30)42-38(45)35(26-23
    -31-15-9-4-10-16-31)41-36
    (43)33(39)24-21-29-11-5-2
    -6-12-29/h2-20,33-35H,21-
    27,39H2,1H3,(H,40,44)(H,4
    1,43)(H,42,45)/t33-,34-,3
    5-/m0/s1;
    GHNMGCXFOUDURA-IMKBVMFZSA-N    		 Cc1ccc(CNC(=O)[CH](CCc2ccccc2)NC(=O)[CH]
    (CCc3ccccc3)NC(=O)[CH](N)CCc4ccccc4)cc1;
    Cc1ccc(cc1)CNC(=O)C(CCc2ccccc2)NC(=O)C(
    CCc3ccccc3)NC(=O)C(CCc4ccccc4)N; Cc1ccc(
    cc1)CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](
    CCc3ccccc3)NC(=O)[C@H](CCc4ccccc4)N; Cc1
    ccc(CNC(=O)[C@H](CCc2ccccc2)NC(=O)[C@H](
    CCc3ccccc3)NC(=O)[C@@H](N)CCc4ccccc4)cc1
    ; O=C(NC(C(=O)NC(C(=O)NCc1ccc(cc1)C)CCc2
    ccccc2)CCc3ccccc3)C(N)CCc4ccccc4    		 (2S)-2-amino-N-[(1S)-1-({(1S)-1-[(4-methylbenzyl)carbamoyl]-3-phenylpropyl}carbamoyl)-3-phenylpropyl]-4-phenylbutanamide
    32746 LXU
    CHEMBL5219570    		 2 C18 H17 N5 O S InChI=1S/C18H17N5OS/c1-18
    (8-2-3-13-14(18)12(9-19)1
    5(21)25-13)17-22-16(23-24
    -17)10-4-6-11(20)7-5-10/h
    4-7H,2-3,8,20-21H2,1H3/t1
    8-/m0/s1;
    OTYSTCZFARVMKT-SFHVURJKSA-N    		 C[C@@]1(CCCc2sc(N)c(C#N)c12)c3onc(n3)c4c
    cc(N)cc4; C[C]1(CCCc2sc(N)c(C#N)c12)c3on
    c(n3)c4ccc(N)cc4; CC1(CCCc2c1c(c(s2)N)C#
    N)c3nc(no3)c4ccc(cc4)N; C[C@@]1(CCCc2c1c
    (c(s2)N)C#N)c3nc(no3)c4ccc(cc4)N    		 (4~{S})-4-[3-(4-aminophenyl)-1,2,4-oxadiazol-5-yl]-2-azanyl-4-methyl-6,7-dihydro-5~{H}-1-benzothiophene-3-carbonitrile
    32747 LXV 1 C12 H15 Br2 N3 O2 S InChI=1S/C12H15Br2N3O2S/c
    1-8-4-10(6-17(8)7-15)16-2
    0(18,19)12-5-9(13)2-3-11(
    12)14/h2-3,5,7-8,10,15-16
    H,4,6H2,1H3/b15-7+/t8-,10
    +/m0/s1;
    HCQNBMQEPLAEIJ-NCAHPRJNSA-N    		 [H]/N=C\N1C[C@@H](C[C@@H]1C)NS(=O)(=O)c2
    cc(ccc2Br)Br; C[CH]1C[CH](CN1C=N)N[S](=O
    )(=O)c2cc(Br)ccc2Br; C[C@H]1C[C@H](CN1C=
    N)N[S](=O)(=O)c2cc(Br)ccc2Br; CC1CC(CN1C
    =N)NS(=O)(=O)c2cc(ccc2Br)Br; Brc1cc(c(Br
    )cc1)S(=O)(=O)NC2CC(N(C=[N@H])C2)C    		 2,5-dibromo-N-{(3R,5S)-1-[(Z)-iminomethyl]-5-methylpyrrolidin-3-yl}benzenesulfonamide
    32748 LXW
    CHEMBL4594624    		 2 C26 H28 N4 O2 InChI=1S/C26H28N4O2/c27-2
    4(23(20-8-3-1-4-9-20)21-1
    0-5-2-6-11-21)26(32)30-17
    -7-12-22(30)25(31)29-18-1
    9-13-15-28-16-14-19/h1-6,
    8-11,13-16,22-24H,7,12,17
    -18,27H2,(H,29,31)/t22-,2
    4+/m0/s1;
    DPXLHPWLQSWEQB-LADGPHEKSA-N    		 c1ccc(cc1)C(c2ccccc2)C(C(=O)N3CCCC3C(=O)
    NCc4ccncc4)N; c1ccc(cc1)C(c2ccccc2)[C@H]
    (C(=O)N3CCC[C@H]3C(=O)NCc4ccncc4)N; N[C@
    H](C(c1ccccc1)c2ccccc2)C(=O)N3CCC[C@H]3C
    (=O)NCc4ccncc4; N[CH](C(c1ccccc1)c2ccccc
    2)C(=O)N3CCC[CH]3C(=O)NCc4ccncc4    		 (2~{S})-1-[(2~{R})-2-azanyl-3,3-diphenyl-propanoyl]-~{N}-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
    32749 LXX
    CHEMBL1234114
    ZINC000051768785    		 1 C20 H13 N5 InChI=1S/C20H13N5/c1-2-19
    -18(17(5-8-22-19)13-3-6-2
    1-7-4-13)10-14(1)15-9-16-
    12-24-25-20(16)23-11-15/h
    1-12H,(H,23,24,25);
    PYHJWHYHRSDRDJ-UHFFFAOYSA-N    		 c1cc2c(cc1c3cc4cn[nH]c4nc3)c(ccn2)c5ccnc
    c5; [nH]1ncc2cc(cnc12)c3ccc4nccc(c5ccncc
    5)c4c3    		 6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-4-pyridin-4-ylquinoline
    32750 LXY
    CHEMBL4865238    		 4 C24 H19 F8 N5 O3 S InChI=1S/C24H19F8N5O3S/c1
    -12-18(26)7-20(37(12)41(3
    9,40)16-4-2-15(25)3-5-16)
    21(38)34-8-13-6-19(33-11-
    17(13)23(27,28)29)14-9-35
    -22(36-10-14)24(30,31)32/
    h2-6,9-12,18,20H,7-8H2,1H
    3,(H,34,38)/t12-,18+,20-/
    m0/s1;
    RGXNECXVRZKGGH-UOXRKKOCSA-N    		 C[C@H]1[C@@H](C[C@H](N1S(=O)(=O)c2ccc(cc
    2)F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C
    (F)(F)F)F; CC1C(CC(N1S(=O)(=O)c2ccc(cc2)
    F)C(=O)NCc3cc(ncc3C(F)(F)F)c4cnc(nc4)C(F
    )(F)F)F; CC3N(C(C(NCc2cc(c1cnc(C(F)(F)F)
    nc1)ncc2C(F)(F)F)=O)CC3F)S(c4ccc(cc4)F)(
    =O)=O; C[CH]1[CH](F)C[CH](N1[S](=O)(=O)c
    2ccc(F)cc2)C(=O)NCc3cc(ncc3C(F)(F)F)c4cn
    c(nc4)C(F)(F)F; C[C@H]1[C@H](F)C[C@H](N1
    [S](=O)(=O)c2ccc(F)cc2)C(=O)NCc3cc(ncc3C
    (F)(F)F)c4cnc(nc4)C(F)(F)F    		 (4R,5S)-4-fluoro-1-[(4-fluorophenyl)sulfonyl]-5-methyl-N-({5-(trifluoromethyl)-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl}methyl)-L-prolinamide
    32751 LXZ 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5+,6+,7
    +,8+/m1/s1;
    OVRNDRQMDRJTHS-LQOSVEJXSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@@H]1[C@@H](O)O[C@H](CO)[C@H
    ](O)[C@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C;
    CC(=O)N[C@H]1[C@@H]([C@H]([C@H](O[C@@H]
    1O)CO)O)O; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-idopyranose;
    N-acetyl-alpha-D-idosamine;
    2-acetamido-2-deoxy-alpha-D-idose;
    2-acetamido-2-deoxy-D-idose;
    2-acetamido-2-deoxy-idose;
    2-(acetylamino)-2-deoxy-alpha-D-idopyranose
    32752 LY0
    ZINC000025109103    		 5 C6 H14 N O4 P InChI=1S/C6H14NO4P/c1-4(6
    (8)9)3-12(10,11)5(2)7/h4-
    5H,3,7H2,1-2H3,(H,8,9)(H,
    10,11)/t4-,5+/m0/s1;
    XXVGIEKADYFHOF-CRCLSJGQSA-N    		 C[C@@H](C[P@](=O)([C@H](C)N)O)C(=O)O; C[
    CH](N)[P](O)(=O)C[CH](C)C(O)=O; C[C@H](N
    )[P](O)(=O)C[C@H](C)C(O)=O; CC(CP(=O)(C(
    C)N)O)C(=O)O    		 (2R)-3-[(R)-[(1R)-1-aminoethyl](hydroxy)phosphoryl]-2-methylpropanoic acid
    32753 LY1
    CHEMBL38681
    DB04273    		 2 C10 H11 Cl2 N InChI=1S/C10H11Cl2N/c11-9
    -4-3-7-2-1-5-13-6-8(7)10(
    9)12/h3-4,13H,1-2,5-6H2;
    IADAQXMUWITWNG-UHFFFAOYSA-N    		 Clc1c2c(ccc1Cl)CCCNC2; Clc1ccc2CCCNCc2c1
    Cl; c1cc(c(c2c1CCCNC2)Cl)Cl    		 8,9-DICHLORO-2,3,4,5-TETRAHYDRO-1H-BENZO[C]AZEPINE
    32754 LY2
    CHEMBL98350
    DB02656
    ZINC000000006014    		 5 C19 H17 N O3 InChI=1S/C19H17NO3/c21-17
    -13-18(20-9-11-22-12-10-2
    0)23-19-15(7-4-8-16(17)19
    )14-5-2-1-3-6-14/h1-8,13H
    ,9-12H2;
    CZQHHVNHHHRRDU-UHFFFAOYSA-N    		 c1ccc(cc1)c2cccc3c2OC(=CC3=O)N4CCOCC4; O
    =C1C=C(Oc2c1cccc2c3ccccc3)N4CCOCC4    		 2-MORPHOLIN-4-YL-7-PHENYL-4H-CHROMEN-4-ONE;
    2-(4-MORPHOLINYL)-8-PHENYL-4H-1-BENZOPYRAN-4-ONE
    32755 LY3
    DB03038
    ZINC000009682931    		 2 C20 H21 N9 O4 InChI=1S/C20H21N9O4/c21-2
    0-24-16-15(18(31)25-20)12
    (9-22-16)6-3-10-1-4-11(5-
    2-10)17(30)23-13(19(32)33
    )7-8-14-26-28-29-27-14/h1
    -2,4-5,9,13H,3,6-8H2,(H,2
    3,30)(H,32,33)(H,26,27,28
    ,29)(H4,21,22,24,25,31)/t
    13-/m0/s1;
    MXAFDBCLWLMXSI-ZDUSSCGKSA-N    		 NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](C
    Cc4n[nH]nn4)C(O)=O)c2C(=O)N1; c1cc(ccc1C
    Cc2c[nH]c3c2C(=O)NC(=N3)N)C(=O)N[C@@H](C
    Cc4n[nH]nn4)C(=O)O; NC1=Nc2[nH]cc(CCc3cc
    c(cc3)C(=O)N[CH](CCc4n[nH]nn4)C(O)=O)c2C
    (=O)N1; c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N
    3)N)C(=O)NC(CCc4n[nH]nn4)C(=O)O; O=C(O)C
    (NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N
    )CCc4nnnn4    		 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-(2H-TETRAZOL-5-YL)-BUTYRIC ACID;
    LY341770
    32756 LY4
    CHEMBL91829
    DB11829
    ZINC000003812168    		 3 C28 H28 N4 O3 InChI=1S/C28H28N4O3/c1-30
    (2)15-18-11-12-31-16-21(1
    9-7-3-5-9-23(19)31)25-26(
    28(34)29-27(25)33)22-17-3
    2(13-14-35-18)24-10-6-4-8
    -20(22)24/h3-10,16-18H,11
    -15H2,1-2H3,(H,29,33,34)/
    t18-/m0/s1;
    ZCBUQCWBWNUWSU-SFHVURJKSA-N    		 CN(C)C[C@@H]1CCn2cc(c3ccccc23)C4=C(C(=O)
    NC4=O)c5cn(CCO1)c6ccccc56; O=C6NC(=O)C=5
    c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c
    (c4)C=56; CN(C)C[C@@H]1CCn2cc(c3c2cccc3)
    C4=C(c5cn(c6c5cccc6)CCO1)C(=O)NC4=O; CN(
    C)CC1CCn2cc(c3c2cccc3)C4=C(c5cn(c6c5cccc
    6)CCO1)C(=O)NC4=O; CN(C)C[CH]1CCn2cc(c3c
    cccc23)C4=C(C(=O)NC4=O)c5cn(CCO1)c6ccccc
    56    		 (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA ZACYCLOHEXADECINE-18,20-DIONE;
    LY333531
    32757 LY5
    CHEMBL1234118
    ZINC000003989289    		 9 C16 H24 F2 N2 O4 InChI=1S/C16H24F2N2O4/c17
    -16(18)5-13(15(23)24)20(8
    -16)7-9-1-2-10-6-19-12(14
    (21)22)4-11(10)3-9/h9-13,
    19H,1-8H2,(H,21,22)(H,23,
    24)/t9-,10-,11+,12-,13-/m
    0/s1;
    OXQXJYQSWZFDBB-WJTVCTBASA-N    		 C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CN3CC(C[
    C@H]3C(=O)O)(F)F)C(=O)O; C1CC2CNC(CC2CC1
    CN3CC(CC3C(=O)O)(F)F)C(=O)O; OC(=O)[CH]1
    C[CH]2C[CH](CC[CH]2CN1)CN3CC(F)(F)C[CH]3
    C(O)=O; OC(=O)[C@@H]1C[C@H]2C[C@H](CC[C@
    H]2CN1)CN3CC(F)(F)C[C@H]3C(O)=O; FC1(CN(
    C(C1)C(O)=O)CC2CC3C(CC2)CNC(C(O)=O)C3)F    		 (3S,4aR,6S,8aR)-6-{[(2S)-2-carboxy-4,4-difluoropyrrolidin-1-yl]methyl}decahydroisoquinoline-3-carboxylic acid;
    LY466195
    32758 LY7
    ZINC000000008815    		 2 C19 H22 N2 O2 S InChI=1S/C19H22N2O2S/c1-1
    4(2)24(22,23)21-13-15(3)1
    7-8-10-19(11-9-17)18-6-4-
    16(12-20)5-7-18/h4-11,14-
    15,21H,13H2,1-3H3/t15-/m1
    /s1;
    HOQAVGZLYRYHSO-OAHLLOKOSA-N    		 CC(C)[S](=O)(=O)NC[C@@H](C)c1ccc(cc1)c2c
    cc(cc2)C#N; C[C@H](CNS(=O)(=O)C(C)C)c1cc
    c(cc1)c2ccc(cc2)C#N; CC(C)S(=O)(=O)NCC(C
    )c1ccc(cc1)c2ccc(cc2)C#N; CC(C)[S](=O)(=
    O)NC[CH](C)c1ccc(cc1)c2ccc(cc2)C#N    		 N-[(2S)-2-(4'-cyanobiphenyl-4-yl)propyl]propane-2-sulfonamide
    32759 LY8
    ZINC000034540245    		 2 C10 H12 O2 InChI=1S/C10H12O2/c1-8(10
    (11)12-2)9-6-4-3-5-7-9/h3
    -8H,1-2H3/t8-/m1/s1;
    DZIQUZJSNSZOCH-MRVPVSSYSA-N    		 C[C@H](c1ccccc1)C(=O)OC; COC(=O)[CH](C)c
    1ccccc1; CC(c1ccccc1)C(=O)OC; COC(=O)[C@
    H](C)c1ccccc1    		 methyl (2~{R})-2-phenylpropanoate
    32760 LY9
    ZINC000001564969    		 2 C5 H8 O7 InChI=1S/C5H8O7/c6-1(2(7)
    4(9)10)3(8)5(11)12/h1-3,6
    -8H,(H,9,10)(H,11,12)/t2-
    ,3-/m1/s1;
    NPTTZSYLTYJCPR-PWNYCUMCSA-N    		 [C@@H](C([C@H](C(=O)O)O)O)(C(=O)O)O; O[C
    H]([CH](O)C(O)=O)[CH](O)C(O)=O; O[C@@H](
    [C@@H](O)C(O)=O)[C@@H](O)C(O)=O; O=C(O)C
    (O)C(O)C(O)C(=O)O; C(C(C(=O)O)O)(C(C(=O)
    O)O)O    		 L-arabinaric acid;
    L-Lyxarate
    32761 LYA
    CHEMBL225072
    DB00642
    ZINC000001540998    		 29 C20 H21 N5 O6 InChI=1S/C20H21N5O6/c21-2
    0-24-16-15(18(29)25-20)12
    (9-22-16)6-3-10-1-4-11(5-
    2-10)17(28)23-13(19(30)31
    )7-8-14(26)27/h1-2,4-5,9,
    13H,3,6-8H2,(H,23,28)(H,2
    6,27)(H,30,31)(H4,21,22,2
    4,25,29)/t13-/m0/s1;
    WBXPDJSOTKVWSJ-ZDUSSCGKSA-N    		 NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[CH](CCC
    (O)=O)C(O)=O)c[nH]c2N1; NC1=NC(=O)c2c(CC
    c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c
    [nH]c2N1; O=C(O)C(NC(=O)c1ccc(cc1)CCc2cn
    c3NC(=NC(=O)c23)N)CCC(=O)O; c1cc(ccc1CCc
    2c[nH]c3c2C(=O)N=C(N3)N)C(=O)NC(CCC(=O)O
    )C(=O)O; c1cc(ccc1CCc2c[nH]c3c2C(=O)N=C(
    N3)N)C(=O)N[C@@H](CCC(=O)O)C(=O)O    		 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID;
    LY231514
    32762 LYB 2 C35 H42 N8 O15 InChI=1S/C35H42N8O15/c36-
    35-42-28-27(30(50)43-35)1
    8(15-37-28)6-3-16-1-4-17(
    5-2-16)29(49)41-22(34(57)
    58)9-13-25(46)39-20(32(53
    )54)7-11-23(44)38-19(31(5
    1)52)8-12-24(45)40-21(33(
    55)56)10-14-26(47)48/h1-2
    ,4-5,15,19-22H,3,6-14H2,(
    H,38,44)(H,39,46)(H,40,45
    )(H,41,49)(H,47,48)(H,51,
    52)(H,53,54)(H,55,56)(H,5
    7,58)(H4,36,37,42,43,50)/
    t19-,20-,21?,22-/m0/s1;
    DICHBVJYDUDAIQ-QEGIFBSNSA-N    		 c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3)N)C(=O
    )N[C@@H](CCC(=O)N[C@@H](CCC(=O)N[C@@H](C
    CC(=O)N[C@H](CCC(=O)O)C(=O)O)C(=O)O)C(=O
    )O)C(=O)O; O=C(O)C(NC(=O)CCC(C(=O)O)NC(=
    O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1cc
    c(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O;
    NC1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](C
    CC(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)NC(C
    CC(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O)c2C(
    =O)N1; c1cc(ccc1CCc2c[nH]c3c2C(=O)NC(=N3
    )N)C(=O)NC(CCC(=O)NC(CCC(=O)NC(CCC(=O)NC
    (CCC(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O; N
    C1=Nc2[nH]cc(CCc3ccc(cc3)C(=O)N[CH](CCC(
    =O)N[CH](CCC(=O)N[CH](CCC(=O)NC(CCC(O)=O
    )C(O)=O)C(O)=O)C(O)=O)C(O)=O)c2C(=O)N1    		 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID;
    LY231514 TETRA GLU
    32763 LYC
    ZINC000008214943    		 97 C40 H56 InChI=1S/C40H56/c1-33(2)1
    9-13-23-37(7)27-17-31-39(
    9)29-15-25-35(5)21-11-12-
    22-36(6)26-16-30-40(10)32
    -18-28-38(8)24-14-20-34(3
    )4/h11-12,15-22,25-32H,13
    -14,23-24H2,1-10H3/b12-11
    +,25-15+,26-16+,31-17+,32
    -18+,35-21+,36-22+,37-27+
    ,38-28+,39-29+,40-30+;
    OAIJSZIZWZSQBC-GYZMGTAESA-N    		 CC(=CCC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\
    C)/C=C/C=C(\C)/C=C/C=C(\C)/CCC=C(C)C)/C)
    /C)/C)C; CC(C)=CCCC(C)=CC=CC(C)=CC=CC(C)
    =CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C)C;
    CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C
    (C)C=CC=C(C)CCC=C(C)C)C)C)C)C; CC(C)=CCC
    \C(C)=C\C=C\C(C)=C\C=C\C(C)=C\C=C\C=C(C)
    \C=C\C=C(C)\C=C\C=C(/C)CCC=C(C)C; C(\C=C
    \C=C(\CC/C=C(\C)C)C)(=C/C=C/C(=C/C=C/C=C
    (/C=C/C=C(/C=C/C=C(\C)CC\C=C(/C)C)C)C)C)
    C    		 LYCOPENE
    32764 LYD
    DB08131
    ZINC000005882138    		 2 C20 H23 N5 O4 InChI=1S/C20H23N5O4/c1-10
    (2)15(19(28)29)23-17(26)1
    2-6-3-11(4-7-12)5-8-13-9-
    22-16-14(13)18(27)25-20(2
    1)24-16/h3-4,6-7,9-10,15H
    ,5,8H2,1-2H3,(H,23,26)(H,
    28,29)(H4,21,22,24,25,27)
    /t15-/m0/s1;
    MYENGRJSPURSQB-HNNXBMFYSA-N    		 O=C(O)C(NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=
    O)c23)N)C(C)C; CC(C)C(C(=O)O)NC(=O)c1ccc
    (cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N; CC(C)[C
    @H](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC(=O)c
    23)cc1)C(O)=O; CC(C)[C@@H](C(=O)O)NC(=O)
    c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N; CC
    (C)[CH](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC(
    =O)c23)cc1)C(O)=O    		 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-3-METHYL-BUTYRIC ACID;
    LY338529
    32765 LYE
    ZINC000004261798    		 7 C19 H10 Br4 O5 S InChI=1S/C19H10Br4O5S/c20
    -12-5-9(6-13(21)18(12)24)
    17(10-7-14(22)19(25)15(23
    )8-10)11-3-1-2-4-16(11)29
    (26,27)28/h1-8,24H,(H,26,
    27,28);
    FKNLPHIFYDXHIC-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=C2C=C(C(=O)C(=C2)Br)Br)c3c
    c(c(c(c3)Br)O)Br)S(=O)(=O)O; Oc1c(Br)cc(
    cc1Br)C(=C2C=C(Br)C(=O)C(=C2)Br)c3ccccc3
    [S](O)(=O)=O    		 bromophenol blue
    32766 LYF
    ZINC000098209142    		 0 C13 H22 N2 O7 InChI=1S/C13H22N2O7/c14-9
    (12(19)20)3-1-2-6-15-10(1
    3(21)22)7-8(16)4-5-11(17)
    18/h8-9,16H,1-7,14H2,(H,1
    7,18)(H,19,20)(H,21,22)/b
    15-10+/t8-,9-/m0/s1;
    SZZIBLQGBUJBOW-GLLKNPCHSA-N    		 O=C(O)C(N)CCCC/N=C(/C(=O)O)CC(O)CCC(=O)O
    ; C(CCN=C(CC(CCC(=O)O)O)C(=O)O)CC(C(=O)O
    )N; C(CC/N=C(\C[C@H](CCC(=O)O)O)/C(=O)O)
    C[C@@H](C(=O)O)N; N[C@@H](CCCCN=C(C[C@@H
    ](O)CCC(O)=O)C(O)=O)C(O)=O; N[CH](CCCCN=
    C(C[CH](O)CCC(O)=O)C(O)=O)C(O)=O    		 (2E,4S)-2-{[(5S)-5-amino-5-carboxypentyl]imino}-4-hydroxyheptanedioic acid
    32767 LYG
    CHEMBL572513
    ZINC000044715925    		 1 C15 H14 Cl N3 O2 S InChI=1S/C15H14ClN3O2S/c1
    6-8-1-2-11-10(5-8)13-14(2
    2-11)15(21)18-12(17-13)7-
    19-4-3-9(20)6-19/h1-2,5,9
    ,20H,3-4,6-7H2,(H,17,18,2
    1)/t9-/m0/s1;
    DSUSQUXNJRQJMI-VIFPVBQESA-N    		 c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)CN4CCC(C
    4)O; Clc4cc3c(sc1c3N=C(NC1=O)CN2CCC(O)C2
    )cc4; c1cc2c(cc1Cl)c3c(s2)C(=O)NC(=N3)C[
    N@@]4CC[C@@H](C4)O; O[CH]1CCN(C1)CC2=Nc3
    c(sc4ccc(Cl)cc34)C(=O)N2; O[C@H]1CCN(C1)
    CC2=Nc3c(sc4ccc(Cl)cc34)C(=O)N2    		 8-chloro-2-{[(3S)-3-hydroxypyrrolidin-1-yl]methyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
    32768 LYH 0 C6 H12 N2 O2 InChI=1S/C6H12N2O2/c7-4-2
    -1-3-5(8)6(9)10/h1,3,5H,2
    ,4,7-8H2,(H,9,10)/b3-1+/t
    5-/m0/s1;
    BLKNAFAMNSXQRW-JRIXXDKMSA-N    		 O=C(O)C(/C=C/CCN)N; C(CN)/C=C/[C@@H](C(=
    O)O)N; C(CN)C=CC(C(=O)O)N; NCC/C=C/[C@H]
    (N)C(O)=O; NCCC=C[CH](N)C(O)=O    		 3,4 ENE-LYSINE;
    (2S,3E)-2,6-DIAMINOHEX-3-ENOIC ACID
    32769 LYI 1 C47 H85 O12 P InChI=1S/C47H85O12P/c1-3-
    5-7-9-11-13-15-17-19-21-2
    2-24-26-28-30-32-34-36-41
    (48)58-40(39-57-60(54,55)
    59-47-45(52)43(50)42(49)4
    4(51)46(47)53)38-56-37-35
    -33-31-29-27-25-23-20-18-
    16-14-12-10-8-6-4-2/h11,1
    3,17,19,22,24,28,30,40,42
    -47,49-53H,3-10,12,14-16,
    18,20-21,23,25-27,29,31-3
    9H2,1-2H3,(H,54,55)/b13-1
    1-,19-17-,24-22-,30-28-/t
    40-,42-,43-,44+,45-,46-,4
    7-/m1/s1;
    WVZYOWMZDZYUMR-MCRWXTICSA-N    		 CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C(C(C
    (C(C1O)O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CC
    CCCC; CCCCCCCCCCCCCCCCCCOC[C@H](CO[P](O)
    (=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@
    H](O)[C@H]1O)OC(=O)CCC\C=C/C/C=C\C\C=C/C
    \C=C/CCCCC; CCCCCCCCCCCCCCCCCCOC[CH](CO[
    P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH]
    (O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC;
    CCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OC1
    [C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(
    =O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC    		 [(2~{R})-1-octadecoxy-3-[oxidanyl-[(2~{R},3~{R},5~{S},6~{R})-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (5~{Z},8~{Z},11~{Z},14~{Z})-icosa-5,8,11,14-tetraenoate
    32770 LYJ
    ZINC000035923510    		 0 C6 H16 N2 O InChI=1S/C6H16N2O/c7-4-2-
    1-3-6(8)5-9/h6,9H,1-5,7-8
    H2/t6-/m0/s1;
    LTGPFZWZZNUIIK-LURJTMIESA-N    		 OCC(N)CCCCN; NCCCC[CH](N)CO; NCCCC[C@H](
    N)CO; C(CCN)CC(CO)N; C(CCN)C[C@@H](CO)N    		 (2S)-2,6-diaminohexan-1-ol
    32771 LYK
    ZINC000064746703    		 0 C6 H16 N2 O2 InChI=1S/C6H16N2O2/c7-4-2
    -1-3-5(8)6(9)10/h5-6,9-10
    H,1-4,7-8H2/t5-/m0/s1;
    KAIAEVMOENBGKZ-YFKPBYRVSA-N    		 C(CCN)CC(C(O)O)N; NCCCC[CH](N)C(O)O; NCC
    CC[C@H](N)C(O)O; C(CCN)C[C@@H](C(O)O)N;
    OC(O)C(N)CCCCN    		 (2S)-2,6-diaminohexane-1,1-diol
    32772 LYL
    DB03301
    ZINC000001690121    		 1 C10 H12 O InChI=1S/C10H12O/c1-3-5-9
    -7-4-6-8(2)10(9)11/h3-4,6
    -7,11H,1,5H2,2H3;
    WREVCRYZAWNLRZ-UHFFFAOYSA-N    		 Cc1cccc(CC=C)c1O; Oc1c(cccc1C/C=C)C; Cc1
    cccc(c1O)CC=C    		 2-ALLYL-6-METHYL-PHENOL
    32773 LYM 0 C7 H16 N2 O InChI=1S/C7H16N2O/c1-6(10
    )7(9)4-2-3-5-8/h7H,2-5,8-
    9H2,1H3/t7-/m0/s1;
    FADKJNSSIWTVAI-ZETCQYMHSA-N    		 O=C(C)C(N)CCCCN; CC(=O)C(CCCCN)N; CC(=O)
    [C@H](CCCCN)N; CC(=O)[CH](N)CCCCN; CC(=O
    )[C@@H](N)CCCCN    		 DEOXY-METHYL-LYSINE
    32774 LYN
    DB03988    		 5 C6 H16 N3 O InChI=1S/C6H15N3O/c7-4-2-
    1-3-5(8)6(9)10/h5H,1-4,7-
    8H2,(H2,9,10)/p+1/t5-/m0/
    s1;
    HKXLAGBDJVHRQG-YFKPBYRVSA-O    		 C(CC[NH3+])C[C@@H](C(=O)N)N; O=C(N)C(N)C
    CCC[NH3+]; C(CC[NH3+])CC(C(=O)N)N; N[C@@
    H](CCCC[NH3+])C(N)=O; N[CH](CCCC[NH3+])C
    (N)=O    		 2,6-DIAMINO-HEXANOIC ACID AMIDE
    32775 LYO
    ZINC000013511406    		 4 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c7-2-1
    -4(9)3-5(8)6(10)11/h4-5,9
    H,1-3,7-8H2,(H,10,11)/t4-
    ,5-/m0/s1;
    ASYBZHICIMVQII-WHFBIAKZSA-N    		 NCC[C@H](O)C[C@H](N)C(O)=O; NCC[CH](O)C[
    CH](N)C(O)=O; C(CN)C(CC(C(=O)O)N)O; O=C(
    O)C(N)CC(O)CCN; C(CN)C(C[C@@H](C(=O)O)N)
    O    		 4-HYDROXY-LYSINE
    32776 LYP
    ZINC000064436851    		 0 C10 H22 N2 O2 InChI=1S/C10H22N2O2/c1-3-
    7-12(2)8-5-4-6-9(11)10(13
    )14/h9H,3-8,11H2,1-2H3,(H
    ,13,14)/t9-/m0/s1;
    RBCPTYNDCRPSKM-VIFPVBQESA-N    		 O=C(O)C(N)CCCCN(CCC)C; CCCN(C)CCCCC(C(=O
    )O)N; CCCN(C)CCCC[C@H](N)C(O)=O; CCCN(C)
    CCCC[CH](N)C(O)=O    		 N~6~-METHYL-N~6~-PROPYL-L-LYSINE
    32777 LYQ 5 C18 H19 Cl N2 O3 S InChI=1S/C18H19ClN2O3S/c1
    9-16-8-10(22)4-6-14(16)18
    -13-3-1-2-12(13)15-9-11(2
    5(20,23)24)5-7-17(15)21-1
    8/h4-9,12-13,18,21-22H,1-
    3H2,(H2,20,23,24)/t12-,13
    +,18-/m0/s1;
    BCOLVIOJRBHVNW-JCGVRSQUSA-N    		 c1cc(c(cc1O)Cl)C2C3CCCC3c4cc(ccc4N2)S(=O
    )(=O)N; c1cc(c(cc1O)Cl)[C@@H]2[C@@H]3CCC
    [C@@H]3c4cc(ccc4N2)S(=O)(=O)N; N[S](=O)(
    =O)c1ccc2N[CH]([CH]3CCC[CH]3c2c1)c4ccc(O
    )cc4Cl; N[S](=O)(=O)c1ccc2N[C@@H]([C@@H]
    3CCC[C@@H]3c2c1)c4ccc(O)cc4Cl    		 (3~{a}~{R},4~{S},9~{b}~{S})-4-(2-chloranyl-4-oxidanyl-phenyl)-2,3,3~{a},4,5,9~{b}-hexahydro-1~{H}-cyclopenta[c]quinoline-8-sulfonamide
    32778 LYR
    ZINC000064454591    		 0 C26 H42 N2 O2 InChI=1S/C26H42N2O2/c1-20
    (14-15-23-22(3)12-9-17-26
    (23,4)5)10-8-11-21(2)16-1
    9-28-18-7-6-13-24(27)25(2
    9)30/h8,10-11,14-16,24,28
    H,6-7,9,12-13,17-19,27H2,
    1-5H3,(H,29,30)/b11-8-,15
    -14+,20-10+,21-16+/t24-/m
    0/s1;
    FSIGCSBKSBDRLV-GGOCYBHBSA-N    		 CC1=C(C=CC(C)=CC=CC(C)=CCNCCCC[CH](N)C(O
    )=O)C(C)(C)CCC1; CC1=C(\C=C\C(C)=C\C=C/C
    (C)=C/CNCCCC[C@H](N)C(O)=O)C(C)(C)CCC1;
    CC1=C(C(CCC1)(C)C)C=C/C(=C/C=C\C(=C\CNCC
    CC[C@@H](C(=O)O)N)\C)/C; CC1=C(C(CCC1)(C
    )C)C=CC(=CC=CC(=CCNCCCCC(C(=O)O)N)C)C; O
    =C(O)C(N)CCCCNC/C=C(/C=C\C=C(\C=C\C1=C(C
    CCC1(C)C)C)C)C    		 N~6~-[(2Z,4E,6E,8E)-3,7-DIMETHYL-9-(2,6,6-TRIMETHYLCYCLOHEX-1-EN-1-YL)NONA-2,4,6,8-TETRAENYL]LYSINE
    32779 LYS 746 C6 H15 N2 O2 InChI=1S/C6H14N2O2/c7-4-2
    -1-3-5(8)6(9)10/h5H,1-4,7
    -8H2,(H,9,10)/p+1/t5-/m0/
    s1;
    KDXKERNSBIXSRK-YFKPBYRVSA-O    		 N[CH](CCCC[NH3+])C(O)=O; O=C(O)C(N)CCCC[
    NH3+]; C(CC[NH3+])C[C@@H](C(=O)O)N; N[C@
    @H](CCCC[NH3+])C(O)=O; C(CC[NH3+])CC(C(=
    O)O)N    		 LYSINE
    32780 LYT
    CHEMBL13968
    DB03659
    ZINC000001586365    		 0 C4 H11 N InChI=1S/C4H11N/c1-2-3-4-
    5/h2-5H2,1H3;
    HQABUPZFAYXKJW-UHFFFAOYSA-N    		 CCCCN; NCCCC BUTYLAMINE
    32781 LYU
    ZINC000064746705    		 0 C12 H26 N2 O2 InChI=1S/C12H26N2O2/c1-10
    (2)6-5-9-14-8-4-3-7-11(13
    )12(15)16/h10-11,14H,3-9,
    13H2,1-2H3,(H,15,16)/t11-
    /m0/s1;
    VVVHWGMAVAYORR-NSHDSACASA-N    		 CC(C)CCCNCCCCC(C(=O)O)N; O=C(O)C(N)CCCCN
    CCCC(C)C; CC(C)CCCNCCCC[CH](N)C(O)=O; CC
    (C)CCCNCCCC[C@H](N)C(O)=O; CC(C)CCCNCCCC
    [C@@H](C(=O)O)N    		 N~6~-(4-methylpentyl)-L-lysine
    32782 LYV
    ZINC000263620823    		 0 C9 H19 N4 O8 P InChI=1S/C9H19N4O8P/c10-5
    (9(16)17)1-2-12-7(14)3-13
    -8(15)6(11)4-21-22(18,19)
    20/h5-6H,1-4,10-11H2,(H,1
    2,14)(H,13,15)(H,16,17)(H
    2,18,19,20)/t5-,6-/m0/s1;
    OAHBGBOPVNAMDO-WDSKDSINSA-N    		 C(CNC(=O)CNC(=O)C(COP(=O)(O)O)N)C(C(=O)O
    )N; C(CNC(=O)CNC(=O)[C@H](COP(=O)(O)O)N)
    [C@@H](C(=O)O)N; N[CH](CCNC(=O)CNC(=O)[C
    H](N)CO[P](O)(O)=O)C(O)=O; O=P(OCC(C(=O)
    NCC(=O)NCCC(C(=O)O)N)N)(O)O; N[C@@H](CCN
    C(=O)CNC(=O)[C@@H](N)CO[P](O)(O)=O)C(O)=
    O    		 O-phosphono-L-seryl-N-[(3S)-3-amino-3-carboxypropyl]glycinamide
    32783 LYW
    DB03241    		 0 C6 H13 N O InChI=1S/C6H13NO/c1-2-3-4
    -6(7)5-8/h5-6H,2-4,7H2,1H
    3/t6-/m0/s1;
    TZJGKUCHNFFHGN-LURJTMIESA-N    		 CCCCC(C=O)N; CCCC[C@@H](C=O)N; CCCC[CH](
    N)C=O; CCCC[C@H](N)C=O; O=CC(N)CCCC    		 1-AMINO-1-CARBONYL PENTANE
    32784 LYX
    ZINC000263620966    		 0 C30 H52 N9 O19 P3 S InChI=1S/C30H52N9O19P3S/c
    1-16(26(43)34-8-5-4-6-17(
    31)29(45)46)62-11-10-33-1
    9(40)7-9-35-27(44)23(42)3
    0(2,3)13-55-61(52,53)58-6
    0(50,51)54-12-18-22(57-59
    (47,48)49)21(41)28(56-18)
    39-15-38-20-24(32)36-14-3
    7-25(20)39/h14-18,21-23,2
    8,41-42H,4-13,31H2,1-3H3,
    (H,33,40)(H,34,43)(H,35,4
    4)(H,45,46)(H,50,51)(H,52
    ,53)(H2,32,36,37)(H2,47,4
    8,49)/t16-,17-,18+,21+,22
    +,23-,28+/m0/s1;
    RFJAZFUCRKBHCW-NFOKXICTSA-N    		 C[C@@H](C(=O)NCCCC[C@@H](C(=O)O)N)SCCNC(
    =O)CCNC(=O)[C@@H](C(C)(C)CO[P@@](=O)(O)O
    [P@@](=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H](
    O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; C[CH](
    SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(
    =O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O
    [P](O)(O)=O)n2cnc3c(N)ncnc23)C(=O)NCCCC[
    CH](N)C(O)=O; C[C@H](SCCNC(=O)CCNC(=O)[C
    @H](O)C(C)(C)CO[P@](O)(=O)O[P@](O)(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O
    )n2cnc3c(N)ncnc23)C(=O)NCCCC[C@H](N)C(O)
    =O; CC(C(=O)NCCCCC(C(=O)O)N)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C
    (C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; O=C
    (O)C(N)CCCCNC(=O)C(SCCNC(=O)CCNC(=O)C(O)
    C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c
    (ncnc12)N)C(O)C3OP(=O)(O)O)C    		 N''-(2-COENZYME A)-PROPANOYL-LYSINE
    32785 LYY 1 C5 H10 O4 InChI=1S/C5H10O4/c6-3-1-9
    -2-4(7)5(3)8/h3-8H,1-2H2/
    t3-,4-/m1/s1;
    QXAMTEJJAZOINB-QWWZWVQMSA-N    		 O[C@@H]1COC[C@@H](O)[C@@H]1O; C1[C@H](C(
    [C@@H](CO1)O)O)O; O[CH]1COC[CH](O)[CH]1O
    ; OC1COCC(O)C1O; C1C(C(C(CO1)O)O)O    		 1,5-anhydro-D-arabinitol
    32786 LYZ
    CHEMBL457104
    ZINC000001719890    		 2 C6 H14 N2 O3 InChI=1S/C6H14N2O3/c7-3-4
    (9)1-2-5(8)6(10)11/h4-5,9
    H,1-3,7-8H2,(H,10,11)/t4-
    ,5+/m1/s1;
    YSMODUONRAFBET-UHNVWZDZSA-N    		 NC[C@H](O)CC[C@H](N)C(O)=O; NC[CH](O)CC[
    CH](N)C(O)=O; C(C[C@@H](C(=O)O)N)[C@H](C
    N)O; O=C(O)C(N)CCC(O)CN; C(CC(C(=O)O)N)C
    (CN)O    		 5-HYDROXYLYSINE
    32787 LZ0
    ZINC000058650151    		 3 C11 H17 N3 O6 InChI=1S/C11H17N3O6/c1-6-
    8(16)9(17)10(18)11(20-6)1
    9-5-7-4-12-13-14(7)2-3-15
    /h3-4,6,8-11,16-18H,2,5H2
    ,1H3/t6-,8+,9+,10-,11+/m0
    /s1;
    VXMWUAUJLLGYLQ-GDWDKGMLSA-N    		 CC1C(C(C(C(O1)OCc2cnnn2CC=O)O)O)O; C[C@H
    ]1[C@H]([C@H]([C@@H]([C@@H](O1)OCc2cnnn2
    CC=O)O)O)O; C[C@@H]1O[C@@H](OCc2cnnn2CC=
    O)[C@@H](O)[C@H](O)[C@@H]1O; O=CCn1nncc1
    COC2OC(C(O)C(O)C2O)C; C[CH]1O[CH](OCc2cn
    nn2CC=O)[CH](O)[CH](O)[CH]1O    		 [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside;
    [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-alpha-L-galactoside;
    [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-L-galactoside;
    [1-(2-oxoethyl)-1H-1,2,3-triazol-5-yl]methyl 6-deoxy-galactoside
    32788 LZ1
    CHEMBL86795
    ZINC000016052862    		 12 C7 H6 N2 InChI=1S/C7H6N2/c1-2-4-7-
    6(3-1)5-8-9-7/h1-5H,(H,8,
    9);
    BAXOFTOLAUCFNW-UHFFFAOYSA-N    		 [nH]1ncc2ccccc12; c1ccc2c(c1)cn[nH]2; n2
    cc1ccccc1n2    		 1H-indazole
    32789 LZ2
    CHEMBL457047
    DB08132
    ZINC000002242749    		 9 C10 H9 N O3 S InChI=1S/C10H9NO3S/c11-15
    (13,14)10-6-2-3-7-8(10)4-
    1-5-9(7)12/h1-6,12H,(H2,1
    1,13,14);
    NFVBVKHGDDDCEA-UHFFFAOYSA-N    		 N[S](=O)(=O)c1cccc2c(O)cccc12; O=S(=O)(c
    1cccc2c1cccc2O)N; c1cc2c(cccc2S(=O)(=O)N
    )c(c1)O    		 5-hydroxynaphthalene-1-sulfonamide
    32790 LZ3
    CHEMBL455946
    DB08133
    ZINC000015270554    		 1 C14 H12 N4 O3 S InChI=1S/C14H12N4O3S/c15-
    22(20,21)10-7-5-9(6-8-10)
    16-14(19)13-11-3-1-2-4-12
    (11)17-18-13/h1-8H,(H,16,
    19)(H,17,18)(H2,15,20,21);
    MNHPHKFLWAPNOV-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23
    )cc1; c1ccc2c(c1)c(n[nH]2)C(=O)Nc3ccc(cc
    3)S(=O)(=O)N; O=S(=O)(N)c1ccc(cc1)NC(=O)
    c3nnc2ccccc23    		 N-(4-sulfamoylphenyl)-1H-indazole-3-carboxamide
    32791 LZ4
    CHEMBL487738
    DB08134
    ZINC000016052861    		 1 C10 H9 Cl N4 O2 S InChI=1S/C10H9ClN4O2S/c11
    -9-5-13-6-10(15-9)14-7-1-
    3-8(4-2-7)18(12,16)17/h1-
    6H,(H,14,15)(H2,12,16,17);
    RSNSGNZRUMHXAY-UHFFFAOYSA-N    		 c1cc(ccc1Nc2cncc(n2)Cl)S(=O)(=O)N; Clc2n
    c(Nc1ccc(cc1)S(=O)(=O)N)cnc2; N[S](=O)(=
    O)c1ccc(Nc2cncc(Cl)n2)cc1    		 4-[(6-chloropyrazin-2-yl)amino]benzenesulfonamide
    32792 LZ5
    CHEMBL445420
    DB08135
    ZINC000005286379    		 1 C10 H9 N3 O InChI=1S/C10H9N3O/c14-10(
    9-6-7-11-13-9)12-8-4-2-1-
    3-5-8/h1-7H,(H,11,13)(H,1
    2,14);
    WMZYZYFPPQOFKY-UHFFFAOYSA-N    		 O=C(Nc1ccccc1)c2nncc2; c1ccc(cc1)NC(=O)c
    2cc[nH]n2; O=C(Nc1ccccc1)c2cc[nH]n2    		 N-phenyl-1H-pyrazole-3-carboxamide
    32793 LZ6
    ZINC000024980297    		 10 C24 H35 Cl N4 O8 S InChI=1S/C24H35ClN4O8S/c2
    5-10-11-29(17-6-4-16(5-7-
    17)2-1-3-21(31)32)12-13-3
    8-15-19(23(35)27-14-22(33
    )34)28-20(30)9-8-18(26)24
    (36)37/h4-7,18-19H,1-3,8-
    15,26H2,(H,27,35)(H,28,30
    )(H,31,32)(H,33,34)(H,36,
    37)/t18-,19-/m0/s1;
    BQVGPQFUMPRIMA-OALUTQOASA-N    		 c1cc(ccc1CCCC(=O)O)N(CCSC[C@@H](C(=O)NCC
    (=O)O)NC(=O)CC[C@@H](C(=O)O)N)CCCl; c1cc
    (ccc1CCCC(=O)O)N(CCSCC(C(=O)NCC(=O)O)NC(
    =O)CCC(C(=O)O)N)CCCl; N[CH](CCC(=O)N[CH]
    (CSCCN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC
    (O)=O)C(O)=O; N[C@@H](CCC(=O)N[C@@H](CSC
    CN(CCCl)c1ccc(CCCC(O)=O)cc1)C(=O)NCC(O)=
    O)C(O)=O; O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=
    O)O)CSCCN(c1ccc(cc1)CCCC(=O)O)CCCl    		 L-gamma-glutamyl-S-(2-{[4-(3-carboxypropyl)phenyl](2-chloroethyl)amino}ethyl)-L-cysteinylglycine;
    Chlorambucil-Glutathione Conjugate
    32794 LZ7
    CHEMBL456163
    DB08136    		 1 C12 H11 F N4 O2 InChI=1S/C12H11FN4O2/c1-7
    (18)15-10-6-14-17-11(10)1
    2(19)16-9-4-2-8(13)3-5-9/
    h2-6H,1H3,(H,14,17)(H,15,
    18)(H,16,19);
    CWQKPKYIMQTGJK-UHFFFAOYSA-N    		 O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)C; CC(=O
    )Nc1c[nH]nc1C(=O)Nc2ccc(F)cc2; CC(=O)Nc1
    c[nH]nc1C(=O)Nc2ccc(cc2)F    		 4-(acetylamino)-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
    32795 LZ8
    CHEMBL463580
    DB08137
    ZINC000016052860    		 1 C17 H13 F N4 O2 InChI=1S/C17H13FN4O2/c18-
    12-6-8-13(9-7-12)20-17(24
    )15-14(10-19-22-15)21-16(
    23)11-4-2-1-3-5-11/h1-10H
    ,(H,19,22)(H,20,24)(H,21,
    23);
    ZMWYSLJBNJUCRK-UHFFFAOYSA-N    		 Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3ccccc3)cc
    1; c1ccc(cc1)C(=O)Nc2c[nH]nc2C(=O)Nc3ccc
    (cc3)F; O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)
    c3ccccc3    		 N-(4-FLUOROPHENYL)-4-[(PHENYLCARBONYL)AMINO]-1H-PYRAZOLE-3-CARBOXAMIDE
    32796 LZ9
    CHEMBL518383
    DB08138
    ZINC000016052859    		 3 C17 H11 F3 N4 O2 InChI=1S/C17H11F3N4O2/c18
    -9-4-6-10(7-5-9)22-17(26)
    15-13(8-21-24-15)23-16(25
    )14-11(19)2-1-3-12(14)20/
    h1-8H,(H,21,24)(H,22,26)(
    H,23,25);
    BDRDBXXWQDFXEC-UHFFFAOYSA-N    		 O=C(Nc1c(nnc1)C(=O)Nc2ccc(F)cc2)c3c(F)cc
    cc3F; Fc1ccc(NC(=O)c2n[nH]cc2NC(=O)c3c(F
    )cccc3F)cc1; c1cc(c(c(c1)F)C(=O)Nc2c[nH]
    nc2C(=O)Nc3ccc(cc3)F)F    		 {[(2,6-difluorophenyl)carbonyl]amino}-N-(4-fluorophenyl)-1H-pyrazole-3-carboxamide
    32797 LZA
    CHEMBL457388
    ZINC000016052877    		 1 C16 H17 F2 N5 O2 InChI=1S/C16H17F2N5O2/c17
    -10-2-1-3-11(18)13(10)15(
    24)22-12-8-20-23-14(12)16
    (25)21-9-4-6-19-7-5-9/h1-
    3,8-9,19H,4-7H2,(H,20,23)
    (H,21,25)(H,22,24);
    CXBHMSHVCKEEGW-UHFFFAOYSA-N    		 Fc1cccc(F)c1C(=O)Nc2c[nH]nc2C(=O)NC3CCNC
    C3; c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)N
    C3CCNCC3)F; O=C(NC1CCNCC1)c3nncc3NC(=O)c
    2c(F)cccc2F    		 {[(2,6-difluorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide
    32798 LZB
    CHEMBL458926
    DB08139
    ZINC000038993085    		 1 C10 H10 Cl N5 InChI=1S/C10H10ClN5/c1-6(
    2)14-9-3-8(11)15-10-7(4-1
    2)5-13-16(9)10/h3,5-6,14H
    ,1-2H3;
    HFTLYNKTSANXFA-UHFFFAOYSA-N    		 CC(C)Nc1cc(Cl)nc2n1ncc2C#N; N#Cc1cnn2c(c
    c(Cl)nc12)NC(C)C; CC(C)Nc1cc(nc2n1ncc2C#
    N)Cl    		 5-chloro-7-[(1-methylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
    32799 LZC
    CHEMBL509730
    DB08140    		 1 C16 H23 N7 InChI=1S/C16H23N7/c1-10(2
    )20-15-7-14(21-13-5-3-12(
    18)4-6-13)22-16-11(8-17)9
    -19-23(15)16/h7,9-10,12-1
    3,20H,3-6,18H2,1-2H3,(H,2
    1,22)/t12-,13-;
    FOESVLPZMGVWBM-JOCQHMNTSA-N    		 CC(C)Nc1cc(N[C@H]2CC[C@H](N)CC2)nc3n1ncc
    3C#N; CC(C)Nc1cc(N[CH]2CC[CH](N)CC2)nc3n
    1ncc3C#N; N#Cc1cnn2c(cc(nc12)NC3CCC(N)CC
    3)NC(C)C; CC(C)Nc1cc(nc2n1ncc2C#N)NC3CCC
    (CC3)N    		 5-[(4-AMINOCYCLOHEXYL)AMINO]-7-(PROPAN-2-YLAMINO)PYRAZOLO[1,5-A]PYRIMIDINE-3-CARBONITRILE
    32800 LZD
    CHEMBL1187319
    DB08141
    ZINC000016052874    		 1 C16 H17 F2 N5 O2 InChI=1S/C16H17F2N5O2/c17
    -10-4-1-5-11(18)13(10)15(
    24)22-12-8-20-23-14(12)16
    (25)21-9-3-2-6-19-7-9/h1,
    4-5,8-9,19H,2-3,6-7H2,(H,
    20,23)(H,21,25)(H,22,24)/
    t9-/m0/s1;
    KOMNQBZWMCFDTQ-VIFPVBQESA-N    		 O=C(NC1CCCNC1)c3nncc3NC(=O)c2c(F)cccc2F;
    c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C(=O)NC3C
    CCNC3)F; c1cc(c(c(c1)F)C(=O)Nc2c[nH]nc2C
    (=O)N[C@H]3CCCNC3)F; Fc1cccc(F)c1C(=O)Nc
    2c[nH]nc2C(=O)N[CH]3CCCNC3; Fc1cccc(F)c1
    C(=O)Nc2c[nH]nc2C(=O)N[C@H]3CCCNC3    		 4-{[(2,6-difluorophenyl)carbonyl]amino}-N-[(3S)-piperidin-3-yl]-1H-pyrazole-3-carboxamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).