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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30801
    NLG
    CHEMBL1234751
    DB04075
    ZINC000001532704    		 60 C7 H11 N O5 InChI=1S/C7H11NO5/c1-4(9)
    8-5(7(12)13)2-3-6(10)11/h
    5H,2-3H2,1H3,(H,8,9)(H,10
    ,11)(H,12,13)/t5-/m0/s1;
    RFMMMVDNIPUKGG-YFKPBYRVSA-N    		 O=C(NC(C(=O)O)CCC(=O)O)C; CC(=O)N[C@@H](
    CCC(=O)O)C(=O)O; CC(=O)N[C@@H](CCC(O)=O)
    C(O)=O; CC(=O)N[CH](CCC(O)=O)C(O)=O; CC(
    =O)NC(CCC(=O)O)C(=O)O    		 N-ACETYL-L-GLUTAMATE
    30802
    NLH
    ZINC000058649948    		 0 C13 H27 N O4 InChI=1S/C13H27NO4/c1-3-5
    -7-10(12(15)16)9-13(17,18
    )11(14)8-6-4-2/h10-11,17-
    18H,3-9,14H2,1-2H3,(H,15,
    16)/t10-,11+/m1/s1;
    XSBUNABCRFGTDE-MNOVXSKESA-N    		 O=C(O)C(CCCC)CC(O)(O)C(N)CCCC; CCCC[CH](
    N)C(O)(O)C[CH](CCCC)C(O)=O; CCCC[C@H](CC
    ([C@H](CCCC)N)(O)O)C(=O)O; CCCCC(CC(C(CC
    CC)N)(O)O)C(=O)O; CCCC[C@H](N)C(O)(O)C[C
    @@H](CCCC)C(O)=O    		 (2R,5S)-5-amino-2-butyl-4,4-dihydroxynonanoic acid
    30803
    NLI
    CHEMBL1083499
    ZINC000049109415    		 1 C18 H23 F2 N7 O3 InChI=1S/C18H23F2N7O3/c1-
    12-9-24-15(25-11-18(19,20
    )13-5-3-2-4-6-13)16(29)27
    (12)10-14(28)23-7-8-30-26
    -17(21)22/h2-6,9H,7-8,10-
    11H2,1H3,(H,23,28)(H,24,2
    5)(H4,21,22,26);
    IDCKXHIGLKQWMM-UHFFFAOYSA-N    		 O=C(NCCONC(=[N@H])N)CN1C(=CN=C(C1=O)NCC(
    F)(F)c2ccccc2)C; CC1=CN=C(NCC(F)(F)c2ccc
    cc2)C(=O)N1CC(=O)NCCONC(N)=N; CC1=CN=C(C
    (=O)N1CC(=O)NCCONC(=N)N)NCC(c2ccccc2)(F)
    F; [H]/N=C(\N)/NOCCNC(=O)CN1C(=CN=C(C1=O
    )NCC(c2ccccc2)(F)F)C    		 N-[2-(carbamimidamidooxy)ethyl]-2-{3-[(2,2-difluoro-2-phenylethyl)amino]-6-methyl-2-oxopyrazin-1(2H)-yl}acetamide;
    RWJ-671818
    30804
    NLJ    		 1 C12 H12 N2 O6 S2 InChI=1S/C12H12N2O6S2/c1-
    20-12-11(3-2-8-13-12)14-2
    1(15,16)9-4-6-10(7-5-9)22
    (17,18)19/h2-8,14H,1H3,(H
    ,17,18,19);
    YXYLOWSJBFRQDN-UHFFFAOYSA-N    		 COc1ncccc1N[S](=O)(=O)c2ccc(cc2)[S](O)(=
    O)=O; c1(ccc(cc1)S(=O)(=O)O)S(Nc2c(nccc2
    )OC)(=O)=O; COc1c(cccn1)NS(=O)(=O)c2ccc(
    cc2)S(=O)(=O)O    		 4-[(2-methoxypyridin-3-yl)sulfamoyl]benzene-1-sulfonic acid
    30805
    NLK
    ZINC000058651013    		 0 C13 H25 N O3 InChI=1S/C13H25NO3/c1-3-5
    -7-10(13(16)17)9-12(15)11
    (14)8-6-4-2/h10-11H,3-9,1
    4H2,1-2H3,(H,16,17)/t10-,
    11+/m1/s1;
    DFDJIMIRUIFCBE-MNOVXSKESA-N    		 O=C(CC(C(=O)O)CCCC)C(N)CCCC; CCCCC(CC(=O
    )C(CCCC)N)C(=O)O; CCCC[CH](N)C(=O)C[CH](
    CCCC)C(O)=O; CCCC[C@H](CC(=O)[C@H](CCCC)
    N)C(=O)O; CCCC[C@H](N)C(=O)C[C@@H](CCCC)
    C(O)=O    		 (2R,5S)-5-amino-2-butyl-4-oxononanoic acid
    30806
    NLL
    CHEMBL5281871    		 1 C16 H16 N4 O InChI=1S/C16H16N4O/c17-8-
    11-1-3-12(4-2-11)10-20-6-
    5-13-7-14(15(18)21)9-19-1
    6(13)20/h1-7,9H,8,10,17H2
    ,(H2,18,21);
    MIOHMKDSCXKJEP-UHFFFAOYSA-N    		 c1cc(ccc1CN)Cn2ccc3c2ncc(c3)C(=O)N; NCc1
    ccc(Cn2ccc3cc(cnc23)C(N)=O)cc1    		 1-[[4-(aminomethyl)phenyl]methyl]pyrrolo[2,3-b]pyridine-5-carboxamide
    30807
    NLM    		 1 C11 H9 Cl N2 O5 S2 InChI=1S/C11H9ClN2O5S2/c1
    2-10-2-1-7-13-11(10)14-20
    (15,16)8-3-5-9(6-4-8)21(1
    7,18)19/h1-7H,(H,13,14)(H
    ,17,18,19);
    HCEVZVCXFTUKMF-UHFFFAOYSA-N    		 O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc2nccc
    c2Cl; c1cc(c(nc1)NS(=O)(=O)c2ccc(cc2)S(=
    O)(=O)O)Cl; N(S(c1ccc(cc1)S(=O)(=O)O)(=O
    )=O)c2ncccc2Cl    		 4-[(3-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
    30808
    NLN
    ZINC000003606176    		 0 C6 H14 N2 O InChI=1S/C6H14N2O/c1-2-3-
    4-5(7)6(8)9/h5H,2-4,7H2,1
    H3,(H2,8,9)/t5-/m0/s1;
    YTIHIRCOUAPRCS-YFKPBYRVSA-N    		 CCCC[CH](N)C(N)=O; CCCCC(C(=O)N)N; CCCC[
    C@@H](C(=O)N)N; CCCC[C@H](N)C(N)=O; O=C(
    N)C(N)CCCC    		 NORLEUCINE AMIDE;
    2-AMINO-HEXANOIC ACID AMIDE
    30809
    NLO
    ZINC000055157322    		 0 C7 H15 N O2 InChI=1S/C7H15NO2/c1-3-4-
    5-6(8)7(9)10-2/h6H,3-5,8H
    2,1-2H3/t6-/m0/s1;
    TVZNFYXAPXOARC-LURJTMIESA-N    		 CCCC[C@@H](C(=O)OC)N; CCCCC(C(=O)OC)N; O
    =C(OC)C(N)CCCC; CCCC[C@H](N)C(=O)OC; CCC
    C[CH](N)C(=O)OC    		 O-METHYL-L-NORLEUCINE
    30810
    NLP
    DB02088
    ZINC000002047313    		 9 C5 H14 N O3 P InChI=1S/C5H14NO3P/c1-2-3
    -4-5(6)10(7,8)9/h5H,2-4,6
    H2,1H3,(H2,7,8,9)/t5-/m1/
    s1;
    NXTPDFMZKSLVRK-RXMQYKEDSA-N    		 CCCC[C@H](N)P(=O)(O)O; CCCC[C@H](N)[P](O
    )(O)=O; CCCCC(N)P(=O)(O)O; CCCC[CH](N)[P
    ](O)(O)=O; O=P(O)(O)C(N)CCCC    		 (1-AMINO-PENTYL)-PHOSPHONIC ACID;
    NORLEUCINE PHOSPHONATE
    30811
    NLQ
    CHEMBL1234757
    DB04167
    ZINC000002019886    		 6 C7 H12 N2 O4 InChI=1S/C7H12N2O4/c1-4(1
    0)9-5(7(12)13)2-3-6(8)11/
    h5H,2-3H2,1H3,(H2,8,11)(H
    ,9,10)(H,12,13)/t5-/m0/s1;
    KSMRODHGGIIXDV-YFKPBYRVSA-N    		 CC(=O)NC(CCC(=O)N)C(=O)O; CC(=O)N[C@@H](
    CCC(=O)N)C(=O)O; CC(=O)N[CH](CCC(N)=O)C(
    O)=O; CC(=O)N[C@@H](CCC(N)=O)C(O)=O; O=C
    (NC(C(=O)O)CCC(=O)N)C    		 N~2~-ACETYL-L-GLUTAMINE;
    N-ACETYL-L-GLUTAMINE
    30812
    NLS    		 1 C11 H9 F N2 O5 S2 InChI=1S/C11H9FN2O5S2/c12
    -10-2-1-3-11(13-10)14-20(
    15,16)8-4-6-9(7-5-8)21(17
    ,18)19/h1-7H,(H,13,14)(H,
    17,18,19);
    FAPGWCMQIRKSPW-UHFFFAOYSA-N    		 c1cc(nc(c1)F)NS(=O)(=O)c2ccc(cc2)S(=O)(=
    O)O; O[S](=O)(=O)c1ccc(cc1)[S](=O)(=O)Nc
    2cccc(F)n2; N(c1nc(F)ccc1)S(c2ccc(S(=O)(
    =O)O)cc2)(=O)=O    		 4-[(6-fluoropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
    30813
    NLT
    DB08275    		 8 C21 H33 N O4 InChI=1S/C21H33NO4/c1-2-3
    -4-5-6-7-8-9-10-11-20(24)
    22-19(21(25)26)16-17-12-1
    4-18(23)15-13-17/h12-15,1
    9,23H,2-11,16H2,1H3,(H,22
    ,24)(H,25,26)/t19-/m0/s1;
    SVQAZCRYIXURJT-IBGZPJMESA-N    		 CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(O
    )=O; CCCCCCCCCCCC(=O)N[CH](Cc1ccc(O)cc1)
    C(O)=O; O=C(O)C(NC(=O)CCCCCCCCCCC)Cc1ccc
    (O)cc1; CCCCCCCCCCCC(=O)NC(Cc1ccc(cc1)O)
    C(=O)O; CCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(c
    c1)O)C(=O)O    		 N-DODECANOYL-L-TYROSINE;
    (S)-N-(DODECANOYL)-2-AMINO-3-(4-HYDROXYPHENYL)-PROPANOIC ACID;
    N-LAURYL-L-TYROSINE;
    N-LAUROYL-L-TYROSINE
    30814
    NLV    		 1 C11 H9 Cl N2 O5 S2 InChI=1S/C11H9ClN2O5S2/c1
    2-10-2-1-3-11(13-10)14-20
    (15,16)8-4-6-9(7-5-8)21(1
    7,18)19/h1-7H,(H,13,14)(H
    ,17,18,19);
    AOXDXPJHIZMZOS-UHFFFAOYSA-N    		 N(c1nc(Cl)ccc1)S(c2ccc(cc2)S(=O)(=O)O)(=
    O)=O; c1cc(nc(c1)Cl)NS(=O)(=O)c2ccc(cc2)
    S(=O)(=O)O; O[S](=O)(=O)c1ccc(cc1)[S](=O
    )(=O)Nc2cccc(Cl)n2    		 4-[(6-chloropyridin-2-yl)sulfamoyl]benzene-1-sulfonic acid
    30815
    NLW
    CHEMBL598548
    ZINC000003581377    		 0 C6 H14 N2 O InChI=1S/C6H14N2O/c1-4(2)
    3-5(7)6(8)9/h4-5H,3,7H2,1
    -2H3,(H2,8,9)/t5-/m0/s1;
    FORGMRSGVSYZQR-YFKPBYRVSA-N    		 CC(C)C[C@@H](C(=O)N)N; CC(CC(C(N)=O)N)C;
    CC(C)CC(C(=O)N)N; CC(C)C[CH](N)C(N)=O;
    CC(C)C[C@H](N)C(N)=O    		 L-leucinamide
    30816
    NLX
    DB04509
    ZINC000247655549    		 12 C20 H24 N O4 InChI=1S/C20H23NO4/c1-3-9
    -21(2)10-8-19-16-12-4-5-1
    3(22)17(16)25-18(19)14(23
    )6-7-20(19,24)15(21)11-12
    /h3-5,15,18,24H,1,6-11H2,
    2H3/p+1/t15-,18+,19+,20-,
    21-/m1/s1;
    PCSQOABIHJXZMR-YNUHATHGSA-O    		 C[N@@+]1(CC[C@]23c4c5ccc(c4O[C@H]2C(=O)C
    C[C@]3([C@H]1C5)O)O)CC=C; C[N@+]1(CC[C@]
    23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@]2(O)CCC4=
    O)c35)CC=C; O=C5C3Oc1c2c(ccc1O)CC4C(O)(C
    23CC[N+]4(C)C/C=C)CC5; C[N+]1(CCC23c4c5c
    cc(c4OC2C(=O)CCC3(C1C5)O)O)CC=C; C[N+]1(
    CC[C]23[CH]4Oc5c(O)ccc(C[CH]1[C]2(O)CCC4
    =O)c35)CC=C    		 (5A,17R)-4,5-EPOXY-3,14-DIHYDROXY-17-METHYL-6-OXO-17-(2-PROPENYL)-MORPHINANIUM;
    N-METHYLNALOXONIUM
    30817
    NLY    		 0 C6 H14 N2 O2 InChI=1S/C6H14N2O2/c7-3-1
    -2-4-8-5-6(9)10/h8H,1-5,7
    H2,(H,9,10);
    OGAULEBSQQMUKP-UHFFFAOYSA-N    		 C(CCNCC(=O)O)CN; O=C(O)CNCCCCN; NCCCCNCC
    (O)=O    		 N-(4-aminobutyl)glycine
    30818
    NLZ
    ZINC000001690428    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c8-7(11)
    5-2-1-4(9)3-6(5)10/h1-3,9
    -10H,(H2,8,11);
    IIUJCQYKTGNRHH-UHFFFAOYSA-N    		 NC(=O)c1ccc(O)cc1O; c1cc(c(cc1O)O)C(=O)N 2,4-bis(oxidanyl)benzamide
    30819
    NM0    		 3 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    12-5-3-4-11(8-12)9-15(20)
    18-14-10-17-13-6-1-2-7-19
    (13)14/h1-8,10H,9H2,(H,18
    ,20);
    GRCPKASYWFJZEJ-UHFFFAOYSA-N    		 Clc1cccc(CC(=O)Nc2cnc3ccccn23)c1; Clc1cc
    cc(c1)CC(=O)Nc1cnc2ccccn12; c1ccn2c(c1)n
    cc2NC(=O)Cc3cccc(c3)Cl    		 2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide
    30820
    NM1
    CHEMBL357057
    DB03076
    ZINC000003833854    		 2 C34 H37 N3 O7 S InChI=1S/C34H37N3O7S/c1-3
    5-34(40)27-15-11-14-26(20
    -27)22-37-31(24-44-29-18-
    9-4-10-19-29)33(39)32(38)
    30(23-43-28-16-7-3-8-17-2
    8)36(45(37,41)42)21-25-12
    -5-2-6-13-25/h2-20,30-33,
    38-39H,21-24H2,1H3,(H,35,
    40)/t30-,31-,32+,33+/m1/s
    1;
    CGBDAHCDSVOMCF-FYZVQMPESA-N    		 CNC(=O)c1cccc(c1)CN2C(C(C(C(N(S2(=O)=O)C
    c3ccccc3)COc4ccccc4)O)O)COc5ccccc5; CNC(
    =O)c1cccc(CN2[CH](COc3ccccc3)[CH](O)[CH]
    (O)[CH](COc4ccccc4)N(Cc5ccccc5)[S]2(=O)=
    O)c1; CNC(=O)c1cccc(CN2[C@H](COc3ccccc3)
    [C@H](O)[C@@H](O)[C@@H](COc4ccccc4)N(Cc5
    ccccc5)[S]2(=O)=O)c1; CNC(=O)c1cccc(c1)C
    [N@@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(
    =O)=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc
    5; O=S2(=O)N(C(C(O)C(O)C(N2Cc1cc(C(=O)NC
    )ccc1)COc3ccccc3)COc4ccccc4)Cc5ccccc5    		 3-(7-BENZYL-4,5-DIHYDROXY-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-1L6-[1,2,7]THIADIAZEPAN-2-YLMETHYL)-N-METHYL-BENZAMIDE;
    AHA047
    30821
    NM2
    ZINC000000395560    		 14 C7 H16 N O2 InChI=1S/C7H15NO2/c1-8(2,
    3)6-4-5-7(9)10/h4-6H2,1-3
    H3/p+1;
    JHPNVNIEXXLNTR-UHFFFAOYSA-O    		 C[N+](C)(C)CCCC(O)=O; C[N+](C)(C)CCCC(=O
    )O; O=C(O)CCC[N+](C)(C)C    		 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM
    30822
    NM3
    ZINC000068268119    		 1 C8 H18 N O2 InChI=1S/C8H17NO2/c1-4-9(
    2,3)7-5-6-8(10)11/h4-7H2,
    1-3H3/p+1;
    ISMYCKWHOZKHNJ-UHFFFAOYSA-O    		 O=C(O)CCC[N+](C)(C)CC; CC[N+](C)(C)CCCC(
    O)=O; CC[N+](C)(C)CCCC(=O)O    		 ethyl-dimethyl-(4-oxidanyl-4-oxidanylidene-butyl)azanium
    30823
    NM4
    CHEMBL4579951    		 2 C25 H26 Cl N5 O2 InChI=1S/C25H26ClN5O2/c1-
    32-23-13-24(33-2)21(26)12
    -20(23)22-16-31-10-6-19(1
    1-25(31)29-22)30-9-5-18(1
    5-30)28-14-17-3-7-27-8-4-
    17/h3-4,6-8,10-13,16,18,2
    8H,5,9,14-15H2,1-2H3/t18-
    /m0/s1;
    YDTCRGKEOJGNHD-SFHVURJKSA-N    		 COc1cc(OC)c(cc1Cl)c2cn3ccc(cc3n2)N4CC[C@
    @H](C4)NCc5ccncc5; c1(OC)cc(OC)c(cc1Cl)c
    5nc4cc(N3CCC(NCc2ccncc2)C3)ccn4c5; COc1c
    c(c(cc1c2cn3ccc(cc3n2)N4CCC(C4)NCc5ccncc
    5)Cl)OC; COc1cc(OC)c(cc1Cl)c2cn3ccc(cc3n
    2)N4CC[CH](C4)NCc5ccncc5; COc1cc(c(cc1c2
    cn3ccc(cc3n2)N4CC[C@@H](C4)NCc5ccncc5)Cl
    )OC    		 (3S)-1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N-[(pyridin-4-yl)methyl]pyrrolidin-3-amine
    30824
    NM6
    ZINC000033922542    		 4 C11 H20 N2 O7 InChI=1S/C11H20N2O7/c1-4(
    10(12)17)19-9-7(13-5(2)15
    )11(18)20-6(3-14)8(9)16/h
    4,6-9,11,14,16,18H,3H2,1-
    2H3,(H2,12,17)(H,13,15)/t
    4-,6-,7-,8-,9-,11-/m1/s1;
    MLHXTMGNPGMLSD-YVNCZSHWSA-N    		 C[CH](O[CH]1[CH](O)[CH](CO)O[CH](O)[CH]1
    NC(C)=O)C(N)=O; C[C@H](C(=O)N)O[C@@H]1[C
    @H]([C@@H](O[C@@H]([C@H]1O)CO)O)NC(=O)C;
    O=C(N)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C; C
    [C@@H](O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](
    O)[C@@H]1NC(C)=O)C(N)=O; CC(C(=O)N)OC1C(
    C(OC(C1O)CO)O)NC(=O)C    		 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranose;
    (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-3,6-bis(oxidanyl)oxan-4-yl]oxypropanamide;
    N-acetyl-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-beta-D-glucosamine;
    2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucose;
    2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucose;
    2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucose
    30825
    NM7
    CHEMBL257167
    DB17058
    ZINC000003960707    		 4 C12 H10 F N3 O2 S InChI=1S/C12H10FN3O2S/c13
    -7-3-1-6(2-4-7)9-5-8(10(1
    4)17)11(19-9)16-12(15)18/
    h1-5H,(H2,14,17)(H3,15,16
    ,18);
    SAYGKHKXGCPTLX-UHFFFAOYSA-N    		 O=C(Nc1sc(cc1C(=O)N)c2ccc(F)cc2)N; c1cc(
    ccc1c2cc(c(s2)NC(=O)N)C(=O)N)F; NC(=O)Nc
    1sc(cc1C(N)=O)c2ccc(F)cc2    		 2-(carbamoylamino)-5-(4-fluorophenyl)thiophene-3-carboxamide
    30826
    NM8
    ZINC000098209234    		 1 C33 H29 F3 N4 O4 S InChI=1S/C33H29F3N4O4S/c1
    -2-39-10-12-40(13-11-39)1
    9-20-14-23(33(34,35)36)17
    -24(15-20)37-30(41)27-5-3
    -4-21-16-22(6-8-26(21)27)
    28-9-7-25(44-28)18-29-31(
    42)38-32(43)45-29/h3-9,14
    -18H,2,10-13,19H2,1H3,(H,
    37,41)(H,38,42,43)/b29-18
    -;
    QFKROKXEJOKXGQ-MIXAMLLLSA-N    		 CCN1CCN(CC1)Cc2cc(cc(c2)NC(=O)c3cccc4c3c
    cc(c4)c5ccc(o5)C=C6C(=O)NC(=O)S6)C(F)(F)
    F; CCN1CCN(CC1)Cc2cc(NC(=O)c3cccc4cc(ccc
    34)c5oc(cc5)C=C6SC(=O)NC6=O)cc(c2)C(F)(F
    )F; O=C1C(\SC(=O)N1)=C\c6oc(c5cc4cccc(C(
    =O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4
    cc5)cc6; CCN1CCN(CC1)Cc2cc(NC(=O)c3cccc4
    cc(ccc34)c5oc(cc5)/C=C/6SC(=O)NC/6=O)cc(
    c2)C(F)(F)F; CCN1CCN(CC1)Cc2cc(cc(c2)NC(
    =O)c3cccc4c3ccc(c4)c5ccc(o5)/C=C\6/C(=O)
    NC(=O)S6)C(F)(F)F    		 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide;
    (Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide
    30827
    NM9
    ZINC000060292646    		 3 C12 H22 N2 O7 InChI=1S/C12H22N2O7/c1-5(
    11(13)18)20-10-8(14-6(2)1
    6)12(19-3)21-7(4-15)9(10)
    17/h5,7-10,12,15,17H,4H2,
    1-3H3,(H2,13,18)(H,14,16)
    /t5-,7-,8-,9-,10-,12-/m1/
    s1;
    RDTUJRBFQHDOEJ-PKKPQKKZSA-N    		 C[C@H](C(=O)N)O[C@@H]1[C@H]([C@@H](O[C@@
    H]([C@H]1O)CO)OC)NC(=O)C; CO[CH]1O[CH](C
    O)[CH](O)[CH](O[CH](C)C(N)=O)[CH]1NC(C)=
    O; CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O[C
    @H](C)C(N)=O)[C@H]1NC(C)=O; CC(C(=O)N)OC
    1C(C(OC(C1O)CO)OC)NC(=O)C; O=C(N)C(OC1C(
    O)C(OC(OC)C1NC(=O)C)CO)C    		 methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucopyranoside;
    (2R)-2-[(2R,3S,4R,5R,6R)-5-acetamido-2-(hydroxymethyl)-6-methoxy-3-oxidanyl-oxan-4-yl]oxypropanamide;
    methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-beta-D-glucoside;
    methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-D-glucoside;
    methyl 2-acetamido-3-O-[(2R)-1-amino-1-oxopropan-2-yl]-2-deoxy-glucoside
    30828
    NMA
    DB04241
    ZINC000002046989    		 1 C12 H19 N2 O7 P InChI=1S/C12H19N2O7P/c1-7
    -10(15)9(5-14-12(2,3)11(1
    6)17)8(4-13-7)6-21-22(18,
    19)20/h4,14-15H,5-6H2,1-3
    H3,(H,16,17)(H2,18,19,20);
    NHGDGJKONAZETF-UHFFFAOYSA-N    		 Cc1ncc(CO[P](O)(O)=O)c(CNC(C)(C)C(O)=O)c
    1O; O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)
    (C)C; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(C)(C)
    C(=O)O)O    		 N-[3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL]-2-METHYLALANINE;
    N-PYRIDOXYL-2-METHYLALANINE-5-PHOSPHATE
    30829
    NMB
    CHEMBL130998
    ZINC000003833860    		 2 C32 H34 N2 O6 S InChI=1S/C32H34N2O6S/c35-
    31-29(23-39-27-17-9-3-10-
    18-27)33(21-25-13-5-1-6-1
    4-25)41(37,38)34(22-26-15
    -7-2-8-16-26)30(32(31)36)
    24-40-28-19-11-4-12-20-28
    /h1-20,29-32,35-36H,21-24
    H2/t29-,30-,31+,32+/m1/s1;
    CAGHBXQSDLNCES-ZRTHHSRSSA-N    		 O=S2(=O)N(C(C(O)C(O)C(N2Cc1ccccc1)COc3cc
    ccc3)COc4ccccc4)Cc5ccccc5; c1ccc(cc1)C[N
    @@]2[C@@H]([C@@H]([C@H]([C@H]([N@](S2(=O
    )=O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5;
    O[C@@H]1[C@@H](O)[C@@H](COc2ccccc2)N(Cc
    3ccccc3)[S](=O)(=O)N(Cc4ccccc4)[C@@H]1CO
    c5ccccc5; O[CH]1[CH](O)[CH](COc2ccccc2)N
    (Cc3ccccc3)[S](=O)(=O)N(Cc4ccccc4)[CH]1C
    Oc5ccccc5; c1ccc(cc1)CN2C(C(C(C(N(S2(=O)
    =O)Cc3ccccc3)COc4ccccc4)O)O)COc5ccccc5    		 2,7-DIBENZYL-1,1-DIOXO-3,6-BIS-PHENOXYMETHYL-[1,2,7]THIADIAZEPANE-4,5-DIOL
    30830
    NMC
    ZINC000005975845    		 0 C6 H11 N O2 InChI=1S/C6H11NO2/c8-6(9)
    4-7-3-5-1-2-5/h5,7H,1-4H2
    ,(H,8,9);
    JOWMUWBEMDOCKB-UHFFFAOYSA-N    		 C1CC1CNCC(=O)O; O=C(O)CNCC1CC1; OC(=O)CN
    CC1CC1    		 N-CYCLOPROPYLMETHYL GLYCINE
    30831
    NMD
    CHEMBL303934
    DB03331
    ZINC000026189382    		 7 C30 H30 N6 O6 InChI=1S/C30H30N6O6/c1-40
    -20-10-19(11-21(12-20)41-
    2)29(39)35-24-26(38)23(14
    -37)42-30(24)36-16-34-25-
    27(32-15-33-28(25)36)31-1
    3-18-8-5-7-17-6-3-4-9-22(
    17)18/h3-12,15-16,23-24,2
    6,30,37-38H,13-14H2,1-2H3
    ,(H,35,39)(H,31,32,33)/t2
    3-,24-,26-,30-/m1/s1;
    OARVXDFNTLYMCJ-JVUUKAHWSA-N    		 COc1cc(OC)cc(c1)C(=O)N[CH]2[CH](O)[CH](C
    O)O[CH]2n3cnc4c(NCc5cccc6ccccc56)ncnc34;
    COc1cc(cc(c1)OC)C(=O)N[C@@H]2[C@@H]([C@
    H](O[C@H]2n3cnc4c3ncnc4NCc5cccc6c5cccc6)
    CO)O; COc1cc(OC)cc(c1)C(=O)N[C@@H]2[C@H]
    (O)[C@@H](CO)O[C@H]2n3cnc4c(NCc5cccc6ccc
    cc56)ncnc34; COc1cc(cc(c1)OC)C(=O)NC2C(C
    (OC2n3cnc4c3ncnc4NCc5cccc6c5cccc6)CO)O;
    O=C(c1cc(OC)cc(OC)c1)NC6C(O)C(OC6n3cnc2c
    (ncnc23)NCc5c4ccccc4ccc5)CO    		 N-NAPHTHALEN-1-YLMETHYL-2'-[3,5-DIMETHOXYBENZAMIDO]-2'-DEOXY-ADENOSINE
    30832
    NME
    CHEMBL43280
    DB01828    		 2 C H5 N InChI=1S/CH5N/c1-2/h2H2,1
    H3;
    BAVYZALUXZFZLV-UHFFFAOYSA-N    		 CN; NC METHYLAMINE
    30833
    NMF
    ZINC000095921270    		 2 C10 H15 F N2 O3 InChI=1S/C10H15FN2O3/c1-6
    -8(3-7(4-11)5-14)13(2)10(
    16)12-9(6)15/h7,14H,3-5H2
    ,1-2H3,(H,12,15,16)/t7-/m
    0/s1;
    OHXHFKXQCMBBKV-ZETCQYMHSA-N    		 CC1=C(N(C(=O)NC1=O)C)CC(CO)CF; CC1=C(N(C
    (=O)NC1=O)C)C[C@H](CO)CF; O=C1C(=C(N(C(=
    O)N1)C)CC(CF)CO)C; CN1C(=O)NC(=O)C(=C1C[
    C@H](CO)CF)C; CN1C(=O)NC(=O)C(=C1C[CH](C
    O)CF)C    		 6-[(2R)-2-(fluoromethyl)-3-hydroxy-propyl]-1,5-dimethyl-pyrimidine-2,4-dione
    30834
    NMG
    CHEMBL281593
    DB02751
    ZINC000000895314    		 37 C3 H7 N3 O2 InChI=1S/C3H7N3O2/c4-3(5)
    6-1-2(7)8/h1H2,(H,7,8)(H4
    ,4,5,6);
    BPMFZUMJYQTVII-UHFFFAOYSA-N    		 O=C(O)CNC(=[N@H])N; [H]/N=C(/N)\NCC(=O)O
    ; NC(=N)NCC(O)=O; [H]N=C(N)NCC(=O)O    		 GUANIDINO ACETATE;
    N-[AMINO(IMINO)METHYL]GLYCINE
    30835
    NMH    		 8 C8 H17 N O InChI=1S/C8H17NO/c1-3-4-5
    -6-8(2)9-7-10/h7-8H,3-6H2
    ,1-2H3,(H,9,10)/t8-/m1/s1;
    GFVRKPKAQHTAQK-MRVPVSSYSA-N    		 CCCCC[CH](C)NC=O; CCCCC[C@@H](C)NC=O; O=
    CNC(CCCCC)C; CCCCCC(C)NC=O    		 (R)-N-(1-METHYL-HEXYL)-FORMAMIDE
    30836
    NMI
    ZINC000000873830    		 1 C12 H13 N O2 InChI=1S/C12H13NO2/c1-13-
    8-9(6-7-12(14)15)10-4-2-3
    -5-11(10)13/h2-5,8H,6-7H2
    ,1H3,(H,14,15);
    VVKVBQDZJLGAFG-UHFFFAOYSA-N    		 O=C(O)CCc2c1ccccc1n(c2)C; Cn1cc(c2c1cccc
    2)CCC(=O)O; Cn1cc(CCC(O)=O)c2ccccc12    		 3-(1-methyl-1H-indol-3-yl)propanoic acid
    30837
    NMJ
    CHEMBL5198842
    ZINC000002570716    		 23 C5 H3 Cl N2 O2 InChI=1S/C5H3ClN2O2/c6-4-
    2-7-1-3(8-4)5(9)10/h1-2H,
    (H,9,10);
    KGGYMBKTQCLOTE-UHFFFAOYSA-N    		 c1c(C(O)=O)nc(cn1)Cl; c1c(nc(cn1)Cl)C(=O
    )O; OC(=O)c1cncc(Cl)n1    		 6-chloropyrazine-2-carboxylic acid
    30838
    NMK    		 0 C7 H17 N2 O2 InChI=1S/C7H16N2O2/c1-9-6
    (7(10)11)4-2-3-5-8/h6,9H,
    2-5,8H2,1H3,(H,10,11)/p+1
    /t6-/m0/s1;
    OLYPWXRMOFUVGH-LURJTMIESA-O    		 CN[C@@H](CCCC[NH3+])C(O)=O; CN[C@@H](CCC
    C[NH3+])C(=O)O; CNC(CCCC[NH3+])C(=O)O; C
    N[CH](CCCC[NH3+])C(O)=O    		 N-methyl Lysine
    30839
    NML
    CHEMBL11544
    ZINC000001587576    		 0 C3 H7 N O InChI=1S/C3H7NO/c1-3(5)4-
    2/h1-2H3,(H,4,5);
    OHLUUHNLEMFGTQ-UHFFFAOYSA-N    		 O=C(NC)C; CC(=O)NC; CNC(C)=O N-METHYLACETAMIDE
    30840
    NMM
    CHEMBL256147
    DB11815
    ZINC000001529776    		 7 C7 H16 N4 O2 InChI=1S/C7H16N4O2/c1-10-
    7(9)11-4-2-3-5(8)6(12)13/
    h5H,2-4,8H2,1H3,(H,12,13)
    (H3,9,10,11)/t5-/m0/s1;
    NTNWOCRCBQPEKQ-YFKPBYRVSA-N    		 CNC(=N)NCCC[C@H](N)C(O)=O; [H]N=C(NC)NCC
    CC(C(=O)O)N; O=C(O)C(N)CCCNC(=[N@H])NC;
    [H]/N=C(/NC)\NCCC[C@@H](C(=O)O)N; CNC(=N
    )NCCC[CH](N)C(O)=O    		 (2S)-2-amino-5-[(N-methylcarbamimidoyl)amino]pentanoic acid;
    L-NMMA
    30841
    NMN
    ZINC000004228273    		 100 C11 H16 N2 O8 P InChI=1S/C11H15N2O8P/c12-
    10(16)6-2-1-3-13(4-6)11-9
    (15)8(14)7(21-11)5-20-22(
    17,18)19/h1-4,7-9,11,14-1
    5H,5H2,(H3-,12,16,17,18,1
    9)/p+1/t7-,8-,9-,11-/m1/s
    1;
    DAYLJWODMCOQEW-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P](O
    )(O)=O)[C@@H](O)[C@H]2O; c1cc(c[n+](c1)C
    2C(C(C(O2)COP(=O)(O)O)O)O)C(=O)N; NC(=O)
    c1ccc[n+](c1)[CH]2O[CH](CO[P](O)(O)=O)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)COP(=O)(O)O)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)COP(=O)(O)
    O)N    		 BETA-NICOTINAMIDE RIBOSE MONOPHOSPHATE;
    NICOTINAMIDE MONONUCLEOTIDE
    30842
    NMO    		 0 N O InChI=1/HNO/c1-2/h1H;
    ODUCDPQEXGNKDN-UHFFFAOYAM    		 [N]=O NITROGEN MONOXIDE
    30843
    NMP
    DB04278
    ZINC000015677257    		 1 C17 H32 N6 O3 S InChI=1S/C17H32N6O3S/c1-1
    1(15(25)20-8-5-9-27)22-13
    (24)10-21-16(26)14(23-17(
    18)19)12-6-3-2-4-7-12/h11
    -12,14,27H,2-10H2,1H3,(H,
    20,25)(H,21,26)(H,22,24)(
    H4,18,19,23)/t11-,14+/m0/
    s1;
    YLLNYDDZOMCFDE-SMDDNHRTSA-N    		 C[CH](NC(=O)CNC(=O)[CH](NC(N)=N)C1CCCCC1
    )C(=O)NCCCS; C[C@@H](C(=O)NCCCS)NC(=O)CN
    C(=O)[C@@H](C1CCCCC1)NC(=N)N; C[C@H](NC(
    =O)CNC(=O)[C@H](NC(N)=N)C1CCCCC1)C(=O)NC
    CCS; CC(C(=O)NCCCS)NC(=O)CNC(=O)C(C1CCCC
    C1)NC(=N)N; O=C(NCCCS)C(NC(=O)CNC(=O)C(N
    C(=[N@H])N)C1CCCCC1)C    		 2-[2-(2-CYCLOHEXYL-2-GUANIDINO-ACETYLAMINO)-ACETYLAMINO]-N-(3-MERCAPTO-PROPYL)-PROPIONAMIDE
    30844
    NMQ
    DB08276    		 1 C9 H13 Be F3 N2 O9 P2 InChI=1S/C9H14N2O9P2.Be.3
    FH/c1-10(8-4-2-3-5-9(8)11
    (12)13)6-7-19-22(17,18)20
    -21(14,15)16;;;;/h2-5H,6-
    7H2,1H3,(H,17,18)(H2,14,1
    5,16);;3*1H/q;+3;;;/p-4;
    LIFJVXDWLUOXQS-UHFFFAOYSA-J    		 [Be-](OP(=O)(O)OP(=O)(O)OCCN(C)c1ccccc1[
    N+](=O)[O-])(F)(F)F; CN(CCO[P](O)(=O)O[P
    ](O)(=O)O[Be-](F)(F)F)c1ccccc1[N+]([O-])
    =O; CN(CCO[P@](O)(=O)O[P@@](O)(=O)O[Be-]
    (F)(F)F)c1ccccc1[N+]([O-])=O; [Be-](O[P@
    @](=O)(O)O[P@](=O)(O)OCC[N@@](C)c1ccccc1
    [N+](=O)[O-])(F)(F)F    		 N-METHYL O-NITROPHENYL AMINOETHYLDIPHOSPHATE BERYLLIUM TRIFLUORIDE
    30845
    NMR    		 21 C6 H4 B Cl2 O2 InChI=1S/C6H4BCl2O2/c8-5-
    1-4(7(10)11)2-6(9)3-5/h1-
    3,10H;
    QFYDXKOJHIFUIC-UHFFFAOYSA-N    		 O[B](=O)c1cc(Cl)cc(Cl)c1; B(=O)(c1cc(cc(
    c1)Cl)Cl)O    		 [3,5-bis(chloranyl)phenyl]-oxidanyl-oxidanylidene-boron
    30846
    NMS
    ZINC000058638726    		 0 C13 H20 N3 O10 P InChI=1S/C13H20N3O10P/c1-
    6-3-16(13(20)15-11(6)19)1
    2-10(24-5-8(17)14-2)9(18)
    7(26-12)4-25-27(21,22)23/
    h3,7,9-10,12,18H,4-5H2,1-
    2H3,(H,14,17)(H,15,19,20)
    (H2,21,22,23)/t7-,9-,10-,
    12-/m1/s1;
    PQERMMDCFWNASH-UGKPPGOTSA-N    		 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)OCC(=O)NC; CC1=CN(C(=O)NC1=O)[C@H]2[C
    @@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)OCC(=
    O)NC; CNC(=O)CO[CH]1[CH](O)[CH](CO[P](O)
    (O)=O)O[CH]1N2C=C(C)C(=O)NC2=O; CNC(=O)C
    O[C@@H]1[C@H](O)[C@@H](CO[P](O)(O)=O)O[C
    @H]1N2C=C(C)C(=O)NC2=O; O=C1NC(=O)N(C=C1
    C)C2OC(C(O)C2OCC(=O)NC)COP(=O)(O)O    		 1-(O2-(2-METHYLAMINO-2-OXO-ETHYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE
    30847
    NMT
    ZINC000098209235    		 0 C12 H20 N3 O10 P InChI=1S/C12H20N3O10P/c1-
    5-3-15(11(18)14-9(5)17)10
    -8(25-12(19)13-2)7(16)6(2
    4-10)4-23-26(20,21)22/h3,
    6-8,10,12-13,16,19H,4H2,1
    -2H3,(H,14,17,18)(H2,20,2
    1,22)/t6-,7-,8-,10-,12+/m
    1/s1;
    NBDRJSHPMIOFTH-REKNECKOSA-N    		 CC1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O
    )O)OC(NC)O; CN[CH](O)O[CH]1[CH](O)[CH](C
    O[P](O)(O)=O)O[CH]1N2C=C(C)C(=O)NC2=O; C
    N[C@@H](O)O[C@@H]1[C@H](O)[C@@H](CO[P](O
    )(O)=O)O[C@H]1N2C=C(C)C(=O)NC2=O; CC1=CN
    (C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2
    )COP(=O)(O)O)O)OC(NC)O; O=C1NC(=O)N(C=C1
    C)C2OC(C(O)C2OC(O)NC)COP(=O)(O)O    		 1-(O2-(METHYLCARBAMOYL)-O5-HYDROXYPHOSPHINYL-BETA-D-RIBOFURANOSYL)THYMINE
    30848
    NMU
    ZINC000005209166    		 2 C2 H6 N2 O InChI=1S/C2H6N2O/c1-4-2(3
    )5/h1H3,(H3,3,4,5);
    XGEGHDBEHXKFPX-UHFFFAOYSA-N    		 CNC(=O)N; O=C(N)NC; CNC(N)=O N-METHYLUREA
    30849
    NMV
    CHEMBL5290159    		 1 C14 H16 N4 O InChI=1S/C14H16N4O/c15-7-
    10-1-3-11(4-2-10)8-17-13-
    6-5-12(9-18-13)14(16)19/h
    1-6,9H,7-8,15H2,(H2,16,19
    )(H,17,18);
    GOGLJESHQNHTBF-UHFFFAOYSA-N    		 c1cc(ccc1CN)CNc2ccc(cn2)C(=O)N; NCc1ccc(
    CNc2ccc(cn2)C(N)=O)cc1    		 6-[[4-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
    30850
    NMW    		 1 C23 H22 N2 O5 InChI=1S/C23H22N2O5/c1-29
    -20-10-14-7-9-25(23(28)17
    -6-5-16(26)11-19(17)27)22
    (15-4-3-8-24-13-15)18(14)
    12-21(20)30-2/h3-6,8,10-1
    3,22,26-27H,7,9H2,1-2H3/t
    22-/m1/s1;
    CLPZEFHDKKRVHY-JOCHJYFZSA-N    		 COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4
    ccc(O)cc4O; COc1cc2CCN([C@H](c3cccnc3)c2
    cc1OC)C(=O)c4ccc(O)cc4O; COc1cc2c(cc1OC)
    C(N(CC2)C(=O)c3ccc(cc3O)O)c4cccnc4; COc1
    cc2c(cc1OC)[C@H](N(CC2)C(=O)c3ccc(cc3O)O
    )c4cccnc4    		 [2,4-bis(oxidanyl)phenyl]-[(1~{S})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
    30851
    NMX
    DB04230
    ZINC000098209236    		 1 C22 H37 N8 O18 P3 InChI=1S/C22H37N8O18P3/c1
    -22(2,17(33)20(34)25-6-4-
    13(31)24-5-3-7-30(35)36)9
    -45-51(42,43)48-50(40,41)
    44-8-12-16(47-49(37,38)39
    )15(32)21(46-12)29-11-28-
    14-18(23)26-10-27-19(14)2
    9/h10-12,15-17,21,32-33H,
    3-9H2,1-2H3,(H,24,31)(H,2
    5,34)(H,40,41)(H,42,43)(H
    2,23,26,27)(H2,37,38,39)/
    t12-,15-,16-,17+,21-/m1/s
    1;
    PUGKTLRHGHIDCJ-GORZOVPNSA-N    		 CC(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)[C@H](C(=O)NCCC(=O)NCCC[N+](=
    O)[O-])O; [O-][N+](=O)CCCNC(=O)CCNC(=O)C
    (O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cn
    c1c(ncnc12)N)C(O)C3OP(=O)(O)O; CC(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@@H](O)C(=O)NCCC(=O)NCCC[N+]([O-])=O;
    CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCC[N+]([O-])=O
    ; CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)
    n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(
    =O)NCCC[N+](=O)[O-])O    		 NITROMETHYLDETHIA COENZYME A
    30852
    NMY
    CHEMBL184618
    DB00452
    ZINC000071928291    		 45 C23 H46 N6 O13 InChI=1S/C23H46N6O13/c24-
    2-7-13(32)15(34)10(28)21(
    37-7)40-18-6(27)1-5(26)12
    (31)20(18)42-23-17(36)19(
    9(4-30)39-23)41-22-11(29)
    16(35)14(33)8(3-25)38-22/
    h5-23,30-36H,1-4,24-29H2/
    t5-,6+,7-,8+,9-,10-,11-,1
    2+,13-,14-,15-,16-,17-,18
    -,19-,20-,21-,22-,23+/m1/
    s1;
    PGBHMTALBVVCIT-VCIWKGPPSA-N    		 C1C(C(C(C(C1N)OC2C(C(C(C(O2)CN)O)O)N)OC3
    C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N
    ; NC[CH]1O[CH](O[CH]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)[CH](N)[C
    H](O)[CH]1O; C1[C@H]([C@@H]([C@H]([C@@H]
    ([C@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@
    H](O2)CN)O)O)N)O[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; NC[C@H]1O[C@H](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)[C@H](
    N)[C@@H](O)[C@@H]1O; O(C2C(OC1OC(CN)C(O)
    C(O)C1N)C(N)CC(N)C2O)C4OC(C(OC3OC(CN)C(O
    )C(O)C3N)C4O)CO    		 NEOMYCIN;
    MYCIFRADIN;
    NEOMAS;
    PIMAVECORT;
    VONAMYCIN
    30853
    NMZ
    ZINC000263621150    		 0 C27 H52 F N7 O14 InChI=1S/C27H52FN7O14/c28
    -13-10(4-30)44-25(14(33)1
    8(13)40)47-21-7(32)3-8(35
    -24(43)9(37)1-2-29)16(38)
    23(21)49-27-20(42)22(12(6
    -36)46-27)48-26-15(34)19(
    41)17(39)11(5-31)45-26/h7
    -23,25-27,36-42H,1-6,29-3
    4H2,(H,35,43)/t7-,8+,9-,1
    0+,11-,12+,13-,14+,15+,16
    -,17+,18-,19+,20+,21+,22+
    ,23+,25+,26+,27-/m0/s1;
    VWXJAOATJPQONW-MKAHEPKYSA-N    		 C1C(C(C(C(C1NC(=O)C(CCN)O)O)OC2C(C(C(O2)
    CO)OC3C(C(C(C(O3)CN)O)O)N)O)OC4C(C(C(C(O
    4)CN)F)O)N)N; FC1C(O)C(N)C(OC1CN)OC4C(N)
    CC(NC(=O)C(O)CCN)C(O)C4OC3OC(C(OC2OC(CN)
    C(O)C(O)C2N)C3O)CO; C1[C@@H]([C@H]([C@@H
    ]([C@H]([C@@H]1NC(=O)[C@H](CCN)O)O)O[C@H
    ]2[C@@H]([C@@H]([C@H](O2)CO)O[C@@H]3[C@@
    H]([C@H]([C@@H]([C@@H](O3)CN)O)O)N)O)O[C
    @@H]4[C@@H]([C@H]([C@H]([C@H](O4)CN)F)O)
    N)N; NCC[CH](O)C(=O)N[CH]1C[CH](N)[CH](O
    [CH]2O[CH](CN)[CH](F)[CH](O)[CH]2N)[CH](
    O[CH]3O[CH](CO)[CH](O[CH]4O[CH](CN)[CH](
    O)[CH](O)[CH]4N)[CH]3O)[CH]1O; NCC[C@H](
    O)C(=O)N[C@@H]1C[C@H](N)[C@@H](O[C@H]2O[
    C@H](CN)[C@H](F)[C@H](O)[C@H]2N)[C@H](O[
    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)[C@H]1
    O    		 (2S)-4-amino-N-{(1R,2S,3R,4R,5S)-5-amino-3-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy }-4-[(2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-galactopyranosyl)oxy]-2-hydroxycyclohexyl}-2-hydroxybutanamide;
    1-N-[(S)-4-Amino-2-hydroxybutanoyl]-4'-deoxy-4'-fluoro-4'-epineomycin
    30854
    NN0    		 1 C21 H19 Cl N2 O5 InChI=1S/C21H19ClN2O5/c1-
    23-15-10-12(19(27)18-16(2
    5)7-4-8-17(18)26)14(22)9-
    13(15)20(28)24(21(23)29)1
    1-5-2-3-6-11/h4,7,9-11,25
    H,2-3,5-6,8H2,1H3;
    NXRNXJJBHSMWKA-UHFFFAOYSA-N    		 CN1c2cc(c(cc2C(=O)N(C1=O)C3CCCC3)Cl)C(=O
    )C4=C(C=CCC4=O)O; CN1C(=O)N(C2CCCC2)C(=O
    )c3cc(Cl)c(cc13)C(=O)C4=C(O)C=CCC4=O    		 6-chloranyl-3-cyclopentyl-1-methyl-7-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
    30855
    NN1
    DB08277
    ZINC000100036563    		 1 C21 H27 Cl F N O4 S InChI=1S/C21H27ClFNO4S/c1
    -20(2,28-17-5-4-15(23)8-1
    6(17)22)19(25)24-18-13-6-
    12-7-14(18)11-21(9-12,10-
    13)29(3,26)27/h4-5,8,12-1
    4,18H,6-7,9-11H2,1-3H3,(H
    ,24,25)/t12-,13-,14+,18-,
    21-;
    ULLPKOZNMAWTIP-JGSHYQHOSA-N    		 CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1CC(C3)(C2
    )S(=O)(=O)C)Oc4ccc(cc4Cl)F; CC(C)(Oc1ccc
    (F)cc1Cl)C(=O)NC2[CH]3CC4C[CH]2CC(C4)(C3
    )[S](C)(=O)=O; CC(C)(Oc1ccc(F)cc1Cl)C(=O
    )NC2[C@H]3CC4C[C@@H]2CC(C4)(C3)[S](C)(=O
    )=O; CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)S(=
    O)(=O)C)Oc4ccc(cc4Cl)F; Fc4ccc(OC(C(=O)N
    C2C1CC3CC(C1)(CC2C3)S(=O)(=O)C)(C)C)c(Cl
    )c4    		 2-(2-CHLORO-4-FLUOROPHENOXY)-2-METHYL-N-[(1R,2S,3S,5S,7S)-5-(METHYLSULFONYL)-2-ADAMANTYL]PROPANAMIDE
    30856
    NN2
    CHEMBL372357
    DB08278
    ZINC000100036569    		 2 C21 H18 F N3 O4 S InChI=1S/C21H18FN3O4S/c22
    -13-7-8-16-14(11-13)19(26
    )18(21(27)25(16)10-9-12-5
    -6-12)20-23-15-3-1-2-4-17
    (15)30(28,29)24-20/h1-4,7
    -8,11-12,26H,5-6,9-10H2,(
    H,23,24);
    QEMCDXCXSVPAAB-UHFFFAOYSA-N    		 c1ccc2c(c1)N=C(NS2(=O)=O)C3=C(c4cc(ccc4N
    (C3=O)CCC5CC5)F)O; Fc3cc4C(O)=C(C2=Nc1c(
    cccc1)S(=O)(=O)N2)C(=O)N(c4cc3)CCC5CC5;
    OC1=C(C(=O)N(CCC2CC2)c3ccc(F)cc13)C4=Nc5
    ccccc5[S](=O)(=O)N4    		 1-(2-CYCLOPROPYLETHYL)-3-(1,1-DIOXIDO-2H-1,2,4-BENZOTHIADIAZIN-3-YL)-6-FLUORO-4-HYDROXYQUINOLIN-2(1H)-ONE
    30857
    NN3
    CHEMBL561360
    DB08279
    ZINC000100036573    		 3 C22 H27 N O3 S InChI=1S/C22H27NO3S/c1-14
    (2)23(21(24)17-11-9-15(3)
    10-12-17)18-13-19(27-20(1
    8)22(25)26)16-7-5-4-6-8-1
    6/h4-8,13-15,17H,9-12H2,1
    -3H3,(H,25,26)/t15-,17-;
    RZXQBIKGWSLVEK-JCNLHEQBSA-N    		 CC1CCC(CC1)C(=O)N(c2cc(sc2C(=O)O)c3ccccc
    3)C(C)C; CC(C)N(C(=O)[CH]1CC[CH](C)CC1)c
    2cc(sc2C(O)=O)c3ccccc3; CC(C)N(C(=O)[C@H
    ]1CC[C@H](C)CC1)c2cc(sc2C(O)=O)c3ccccc3;
    O=C(O)c2sc(cc2N(C(=O)C1CCC(C)CC1)C(C)C)
    c3ccccc3    		 3-{ISOPROPYL[(TRANS-4-METHYLCYCLOHEXYL)CARBONYL]AMINO}-5-PHENYLTHIOPHENE-2-CARBOXYLIC ACID
    30858
    NN4
    DB08280
    ZINC000100036578    		 8 C22 H30 N2 O4 InChI=1S/C22H30N2O4/c1-21
    (2,28-17-6-4-16(27-3)5-7-
    17)20(26)24-18-14-8-13-9-
    15(18)12-22(10-13,11-14)1
    9(23)25/h4-7,13-15,18H,8-
    12H2,1-3H3,(H2,23,25)(H,2
    4,26)/t13-,14-,15+,18-,22
    -;
    MNVKIDPRYUGTTG-YINOZDTMSA-N    		 CC(C)(C(=O)NC1C2CC3CC1CC(C3)(C2)C(=O)N)O
    c4ccc(cc4)OC; COc1ccc(OC(C)(C)C(=O)NC2[C
    H]3CC4C[CH]2CC(C4)(C3)C(N)=O)cc1; O=C(N)
    C14CC3CC(CC(C1)C3NC(=O)C(Oc2ccc(OC)cc2)(
    C)C)C4; CC(C)(C(=O)NC1[C@H]2CC3C[C@@H]1C
    C(C3)(C2)C(=O)N)Oc4ccc(cc4)OC; COc1ccc(O
    C(C)(C)C(=O)NC2[C@H]3CC4C[C@@H]2CC(C4)(C
    3)C(N)=O)cc1    		 (1S,3R,4S,5S,7S)-4-{[2-(4-METHOXYPHENOXY)-2-METHYLPROPANOYL]AMINO}ADAMANTANE-1-CARBOXAMIDE
    30859
    NN5
    CHEMBL4646785    		 1 C25 H25 N5 O3 InChI=1S/C25H25N5O3/c1-16
    -13-20(14-17(2)23(16)31)1
    9-5-8-22-27-25(28-30(22)1
    5-19)26-21-6-3-18(4-7-21)
    24(32)29-9-11-33-12-10-29
    /h3-8,13-15,31H,9-12H2,1-
    2H3,(H,26,28);
    SBPRNAZJEHULEN-UHFFFAOYSA-N    		 Cc1cc(cc(c1O)C)c2ccc3nc(nn3c2)Nc4ccc(cc4
    )C(=O)N5CCOCC5; Cc1cc(cc(C)c1O)c2ccc3nc(
    Nc4ccc(cc4)C(=O)N5CCOCC5)nn3c2    		 [4-[[6-(3,5-dimethyl-4-oxidanyl-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]-morpholin-4-yl-methanone
    30860
    NN6
    CHEMBL3654198
    ZINC000203431621    		 1 C17 H14 F4 N4 O InChI=1S/C17H14F4N4O/c18-
    8-5-13(20)15(14(21)6-8)10
    -1-2-12(19)9-3-4-25(7-11(
    9)10)17(26)24-16(22)23/h1
    -2,5-6H,3-4,7H2,(H4,22,23
    ,24,26);
    YBJHLGWWZWMRCD-UHFFFAOYSA-N    		 c1cc(c2c(c1c3c(cc(cc3F)F)F)CN(CC2)C(=O)N
    =C(N)N)F; NC(N)=NC(=O)N1CCc2c(F)ccc(c2C1
    )c3c(F)cc(F)cc3F; N\C(N)=N/C(=O)N1CCc2c(
    C1)c(ccc2F)c1c(F)cc(F)cc1F    		 ~{N}-[azanyl(azanylidene)methylidene]-5-fluoranyl-8-[2,4,6-tris(fluoranyl)phenyl]-3,4-dihydro-1~{H}-isoquinoline-2-carboxamide
    30861
    NN7
    CHEMBL3261407
    ZINC000043152877    		 1 C25 H27 F N4 O2 S InChI=1S/C25H27FN4O2S/c1-
    16-12-17(2)25(18(3)13-16)
    33(31,32)29-19(4)14-27-23
    -6-5-7-24-22(23)15-28-30(
    24)21-10-8-20(26)9-11-21/
    h5-13,15,19,27,29H,14H2,1
    -4H3/t19-/m0/s1;
    NMWIJNGJMPMFQG-IBGZPJMESA-N    		 O=S(=O)(c1c(cc(cc1C)C)C)NC(C)CNc2cccc3c2
    cnn3c4ccc(F)cc4; Cc1cc(c(c(c1)C)S(=O)(=O
    )NC(C)CNc2cccc3c2cnn3c4ccc(cc4)F)C; Cc1c
    c(c(c(c1)C)S(=O)(=O)N[C@@H](C)CNc2cccc3c
    2cnn3c4ccc(cc4)F)C; C[C@@H](CNc1cccc2n(n
    cc12)c3ccc(F)cc3)N[S](=O)(=O)c4c(C)cc(C)
    cc4C; C[CH](CNc1cccc2n(ncc12)c3ccc(F)cc3
    )N[S](=O)(=O)c4c(C)cc(C)cc4C    		 N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-2,4,6-trimethyl-benzenesulfonamide
    30862
    NN8    		 2 C23 H22 N2 O5 InChI=1S/C23H22N2O5/c1-29
    -20-10-14-7-9-25(23(28)17
    -6-5-16(26)11-19(17)27)22
    (15-4-3-8-24-13-15)18(14)
    12-21(20)30-2/h3-6,8,10-1
    3,22,26-27H,7,9H2,1-2H3/t
    22-/m0/s1;
    CLPZEFHDKKRVHY-QFIPXVFZSA-N    		 COc1cc2CCN([CH](c3cccnc3)c2cc1OC)C(=O)c4
    ccc(O)cc4O; COc1cc2c(cc1OC)C(N(CC2)C(=O)
    c3ccc(cc3O)O)c4cccnc4; COc1cc2CCN([C@@H]
    (c3cccnc3)c2cc1OC)C(=O)c4ccc(O)cc4O; COc
    1cc2c(cc1OC)[C@@H](N(CC2)C(=O)c3ccc(cc3O
    )O)c4cccnc4    		 [2,4-bis(oxidanyl)phenyl]-[(1~{R})-6,7-dimethoxy-1-pyridin-3-yl-3,4-dihydro-1~{H}-isoquinolin-2-yl]methanone
    30863
    NN9
    CHEMBL5268916    		 1 C14 H16 N4 O InChI=1S/C14H16N4O/c15-7-
    10-2-1-3-11(6-10)8-17-13-
    5-4-12(9-18-13)14(16)19/h
    1-6,9H,7-8,15H2,(H2,16,19
    )(H,17,18);
    WXURPGONLMDDHC-UHFFFAOYSA-N    		 c1cc(cc(c1)CNc2ccc(cn2)C(=O)N)CN; NCc1cc
    cc(CNc2ccc(cn2)C(N)=O)c1    		 6-[[3-(aminomethyl)phenyl]methylamino]pyridine-3-carboxamide
    30864
    NNA
    ZINC000098209237    		 5 C36 H63 N5 O7 S InChI=1S/C36H63N5O7S/c1-1
    0-11-15-24(27(42)30(44)37
    -22-16-17-22)38-29(43)26-
    25-23(35(25,8)9)20-41(26)
    31(45)28(33(2,3)4)39-32(4
    6)40-36(18-13-12-14-19-36
    )21-49(47,48)34(5,6)7/h22
    -28,42H,10-21H2,1-9H3,(H,
    37,44)(H,38,43)(H2,39,40,
    46)/t23-,24-,25-,26-,27+,
    28+/m0/s1;
    BZXRATSZUNDEEV-FZFXNXQRSA-N    		 CCCC[CH](NC(=O)[CH]1[CH]2[CH](CN1C(=O)[C
    H](NC(=O)NC3(CCCCC3)C[S](=O)(=O)C(C)(C)C
    )C(C)(C)C)C2(C)C)[CH](O)C(=O)NC4CC4; CCC
    C[C@@H]([C@H](C(=O)NC1CC1)O)NC(=O)[C@@H]
    2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C@H](C(C)
    (C)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C
    ; CCCCC(C(C(=O)NC1CC1)O)NC(=O)C2C3C(C3(C
    )C)CN2C(=O)C(C(C)(C)C)NC(=O)NC4(CCCCC4)C
    S(=O)(=O)C(C)(C)C; CCCC[C@H](NC(=O)[C@@H
    ]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)NC3(
    CCCCC3)C[S](=O)(=O)C(C)(C)C)C(C)(C)C)C2(
    C)C)[C@@H](O)C(=O)NC4CC4; O=C(N3C(C(=O)N
    C(CCCC)C(O)C(=O)NC1CC1)C2C(C)(C2C3)C)C(N
    C(=O)NC4(CS(=O)(=O)C(C)(C)C)CCCCC4)C(C)(
    C)C    		 (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide;
    Narlaprevir, bound form
    30865
    NNB
    CHEMBL191190
    DB08281
    ZINC000018415445    		 1 C17 H13 Br N2 O3 S InChI=1S/C17H13BrN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BDVAWAILQCYMQE-UHFFFAOYSA-N    		 Brc1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2C3=O
    ; c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(
    cc3)Br; Brc1ccc(NC(=S)OCCN2C(=O)c3ccccc3
    C2=O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-bromophenyl)thiocarbamate
    30866
    NNC
    CHEMBL191141
    DB08282
    ZINC000013980686    		 1 C17 H13 Cl N2 O3 S InChI=1S/C17H13ClN2O3S/c1
    8-11-5-7-12(8-6-11)19-17(
    24)23-10-9-20-15(21)13-3-
    1-2-4-14(13)16(20)22/h1-8
    H,9-10H2,(H,19,24);
    BWRRXOIACQYNEK-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)Cl; Clc1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2
    =O)cc1; Clc1ccc(cc1)NC(=S)OCCN3C(=O)c2cc
    ccc2C3=O    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-chlorophenyl)thiocarbamate
    30867
    NND
    CHEMBL408500
    DB08283
    ZINC000014253608    		 2 C15 H31 N O4 InChI=1S/C15H31NO4/c1-2-3
    -4-5-6-7-8-9-16-10-13(18)
    15(20)14(19)12(16)11-17/h
    12-15,17-20H,2-11H2,1H3/t
    12-,13+,14-,15-/m1/s1;
    FTSCEGKYKXESFF-LXTVHRRPSA-N    		 CCCCCCCCCN1CC(C(C(C1CO)O)O)O; CCCCCCCCCN
    1C[CH](O)[CH](O)[CH](O)[CH]1CO; CCCCCCCC
    CN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO; C
    CCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]
    1CO)O)O)O; OCC1N(CCCCCCCCC)CC(O)C(O)C1O    		 (2R,3R,4R,5S)-2-(HYDROXYMETHYL)-1-NONYLPIPERIDINE-3,4,5-TRIOL;
    N-NONYL-DEOXYNOJIRIMYCIN
    30868
    NNE    		 2 C30 H32 Cl4 N2 O6 InChI=1S/C30H32Cl4N2O6/c1
    -5-17(3)29(39)19-9-11-21(
    27(33)25(19)31)41-15-23(3
    7)35-13-7-8-14-36-24(38)1
    6-42-22-12-10-20(26(32)28
    (22)34)30(40)18(4)6-2/h9-
    12H,3-8,13-16H2,1-2H3,(H,
    35,37)(H,36,38);
    DJUYDJABFNZJNL-UHFFFAOYSA-N    		 C=C(/C(c1ccc(c(c1Cl)Cl)OCC(=O)NCCCCNC(CO
    c2ccc(c(c2Cl)Cl)C(=O)/C(CC)=C)=O)=O)CC;
    CCC(=C)C(=O)c1ccc(c(c1Cl)Cl)OCC(=O)NCCCC
    NC(=O)COc2ccc(c(c2Cl)Cl)C(=O)C(=C)CC; CC
    C(=C)C(=O)c1ccc(OCC(=O)NCCCCNC(=O)COc2cc
    c(c(Cl)c2Cl)C(=O)C(=C)CC)c(Cl)c1Cl    		 N,N'-(butane-1,4-diyl)bis{2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy]acetamide}
    30869
    NNF
    ZINC000017724487    		 2 C15 H17 F N4 O InChI=1S/C15H17FN4O/c1-11
    -10-14(21)18-15(17-11)20-
    8-6-19(7-9-20)13-4-2-12(1
    6)3-5-13/h2-5,10H,6-9H2,1
    H3,(H,17,18,21);
    AGOINTKVGRVJJT-UHFFFAOYSA-N    		 Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3;
    CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F    		 2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
    30870
    NNG
    ZINC000016052348    		 2 C7 H17 N O10 P2 InChI=1S/C7H17NO10P2/c1-1
    9(12,13)8-4-6(10)5(9)3(18
    -7(4)11)2-17-20(14,15)16/
    h3-7,9-11H,2H2,1H3,(H2,8,
    12,13)(H2,14,15,16)/t3-,4
    -,5-,6-,7+/m1/s1;
    YCTZDNRMKSWCHF-GKHCUFPYSA-N    		 O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O;
    C[P@@](=O)(N[C@@H]1[C@H]([C@@H]([C@H](O[
    C@@H]1O)COP(=O)(O)O)O)O)O; C[P@@](O)(=O)
    N[C@H]1[C@@H](O)O[C@H](CO[P](O)(O)=O)[C@
    @H](O)[C@@H]1O; CP(=O)(NC1C(C(C(OC1O)COP
    (=O)(O)O)O)O)O; C[P](O)(=O)N[CH]1[CH](O)
    O[CH](CO[P](O)(O)=O)[CH](O)[CH]1O    		 2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose;
    N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-D-glucose;
    2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-glucose
    30871
    NNH
    CHEMBL1234777
    DB02381
    ZINC000002244322    		 11 C5 H12 N4 O3 InChI=1S/C5H12N4O3/c6-3(4
    (10)11)1-2-8-5(7)9-12/h3,
    12H,1-2,6H2,(H,10,11)(H3,
    7,8,9)/t3-/m0/s1;
    KOBHCUDVWOTEKO-VKHMYHEASA-N    		 O=C(O)C(N)CCNC(=[N@H])NO; [H]/N=C(/NCC[C
    @@H](C(=O)O)N)\NO; N[CH](CCNC(=N)NO)C(O)
    =O; [H]N=C(NCCC(C(=O)O)N)NO; N[C@@H](CCN
    C(=N)NO)C(O)=O    		 NOR-N-OMEGA-HYDROXY-L-ARGININE
    30872
    NNI
    CHEMBL191910
    DB08284
    ZINC000013644801    		 1 C17 H13 I N2 O3 S InChI=1S/C17H13IN2O3S/c18
    -11-5-7-12(8-6-11)19-17(2
    4)23-10-9-20-15(21)13-3-1
    -2-4-14(13)16(20)22/h1-8H
    ,9-10H2,(H,19,24);
    CYYIBMGIJWXZEP-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)N(C2=O)CCOC(=S)Nc3ccc(cc
    3)I; Ic1ccc(cc1)NC(=S)OCCN3C(=O)c2ccccc2
    C3=O; Ic1ccc(NC(=S)OCCN2C(=O)c3ccccc3C2=
    O)cc1    		 O-[2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl] (4-iodophenyl)thiocarbamate
    30873
    NNJ
    ZINC000098209238    		 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -3-7(5-8)6-9/h2-4,6H,5,8H
    2,1H3/q+1;
    MNWIURYABWVSGR-UHFFFAOYSA-N    		 C[n+]1cccc(CN)c1; NCc1ccc[n+](c1)C; C[n+
    ]1cccc(c1)CN    		 3-(aminomethyl)-1-methylpyridinium
    30874
    NNK
    ZINC000044249405    		 1 C7 H11 N2 InChI=1S/C7H11N2/c1-9-4-2
    -7(6-8)3-5-9/h2-5H,6,8H2,
    1H3/q+1;
    BBCRICAXKQUDPF-UHFFFAOYSA-N    		 C[n+]1ccc(CN)cc1; NCc1cc[n+](cc1)C; C[n+
    ]1ccc(cc1)CN    		 4-(aminomethyl)-1-methylpyridinium
    30875
    NNL
    CHEMBL1234778    		 2 C14 H14 Cl N5 InChI=1S/C14H14ClN5/c1-10
    -8-13(14-18-17-9-20(14)19
    -10)16-7-6-11-2-4-12(15)5
    -3-11/h2-5,8-9,16H,6-7H2,
    1H3;
    ANMSXJNKBNFCTH-UHFFFAOYSA-N    		 Clc1ccc(cc1)CCNc2c3nncn3nc(c2)C; Cc1cc(c
    2nncn2n1)NCCc3ccc(cc3)Cl; Cc1cc(NCCc2ccc
    (Cl)cc2)c3nncn3n1    		 N-[2-(4-chlorophenyl)ethyl]-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-amine
    30876
    NNM    		 2 C40 H69 O4 P InChI=1S/C40H69O4P/c1-33(
    2)17-10-18-34(3)19-11-20-
    35(4)21-12-22-36(5)23-13-
    24-37(6)25-14-26-38(7)27-
    15-28-39(8)29-16-30-40(9)
    31-32-44-45(41,42)43/h40H
    ,1,3-8,10-32H2,2,9H3,(H2,
    41,42,43)/t40-/m1/s1;
    CTKMEBTWSXRRSJ-RRHRGVEJSA-N    		 C[CH](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O;
    C[C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)C
    CCC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C
    (CCCC(=C)/CCC\C(=C)CCC/C(CCC\C(=C)CCC/C(
    CCC\C(=C)CCC\C(=C)C)=C)=C)(CCOP(O)(O)=O)
    C; CC(CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CC
    CC(=C)CCCC(=C)CCCC(=C)C)CCOP(=O)(O)O; C[
    C@H](CCCC(=C)CCCC(=C)CCCC(=C)CCCC(=C)CCC
    C(=C)CCCC(=C)CCCC(C)=C)CCO[P](O)(O)=O    		 (3R)-3,31-dimethyl-7,11,15,19,23,27-hexamethylidenedotriacont-31-en-1-yl dihydrogen phosphate
    30877
    NNN
    CHEMBL482193
    DB08285    		 2 C19 H26 N6 O InChI=1S/C19H26N6O/c1-4-1
    5(12-26)22-18-23-17-16(13
    (2)3)11-21-25(17)19(24-18
    )20-10-14-8-6-5-7-9-14/h5
    -9,11,13,15,26H,4,10,12H2
    ,1-3H3,(H2,20,22,23,24)/t
    15-/m1/s1;
    SQUNOCMDMIQIQK-OAHLLOKOSA-N    		 CC[CH](CO)Nc1nc(NCc2ccccc2)n3ncc(C(C)C)c
    3n1; CC[C@H](CO)Nc1nc(NCc2ccccc2)n3ncc(C
    (C)C)c3n1; CC[C@H](CO)Nc1nc2c(cnn2c(n1)N
    Cc3ccccc3)C(C)C; n2c1c(cnn1c(nc2NC(CC)CO
    )NCc3ccccc3)C(C)C; CCC(CO)Nc1nc2c(cnn2c(
    n1)NCc3ccccc3)C(C)C    		 (2R)-2-{[4-(benzylamino)-8-(1-methylethyl)pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino}butan-1-ol
    30878
    NNO    		 13 C6 H5 N O4 InChI=1S/C6H5NO4/c8-5-2-1
    -4(6(9)10)3-7(5)11/h1-3,8
    H,(H,9,10);
    PQTDJLRPWRPPLV-UHFFFAOYSA-N    		 OC(=O)c1ccc(O)[n+]([O-])c1; O=C(O)c1c[n+
    ]([O-])c(O)cc1; c1cc([n+](cc1C(=O)O)[O-]
    )O    		 6-HYDROXYISONICOTINIC ACID N-OXIDE
    30879
    NNQ
    CHEMBL2270128
    ZINC000070455165    		 1 C18 H25 N O InChI=1S/C18H25NO/c1-2-3-
    4-5-6-7-8-11-15-14-18(20)
    16-12-9-10-13-17(16)19-15
    /h9-10,12-14H,2-8,11H2,1H
    3,(H,19,20);
    KKRXDNYRUZGPFM-UHFFFAOYSA-N    		 CCCCCCCCCC1=CC(=O)c2ccccc2N1; O=C2c1c(cc
    cc1)NC(=C2)CCCCCCCCC    		 2-nonylquinolin-4(1H)-one
    30880
    NNR
    CHEMBL438497
    DB14933
    ZINC000004096036    		 9 C11 H15 N2 O5 InChI=1S/C11H14N2O5/c12-1
    0(17)6-2-1-3-13(4-6)11-9(
    16)8(15)7(5-14)18-11/h1-4
    ,7-9,11,14-16H,5H2,(H-,12
    ,17)/p+1/t7-,8-,9-,11-/m1
    /s1;
    JLEBZPBDRKPWTD-TURQNECASA-O    		 NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO)[CH](O)
    [CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H
    ]([C@H](O2)CO)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)CO)O)O)C(=O)N;
    O=C(c1ccc[n+](c1)C2OC(C(O)C2O)CO)N    		 Nicotinamide riboside;
    3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium
    30881
    NNS    		 0 C8 H9 N O2 InChI=1/C8H9NO2/c1-6(10)9
    -7-2-4-8(11)5-3-7/h2-5,11
    H,1H3,(H,9,10)/f/h9H;
    RZVAJINKPMORJF-BGGKNDAXCW    		 CC(=O)Nc1ccc(cc1)O; CC(=O)Nc1ccc(O)cc1;
    O=C(Nc1ccc(O)cc1)C    		 4-ACETYL-AMINOPHENOL;
    PARACETAMOL
    30882
    NNT    		 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-7(8)6(4-9)5-10/h2-3,5
    H,4,9H2,1H3/q+1;
    RRNWGKZANUHRIC-UHFFFAOYSA-N    		 C[n+]1ccc(c(c1)CN)Cl; Clc1cc[n+](cc1CN)C
    ; C[n+]1ccc(Cl)c(CN)c1    		 3-(aminomethyl)-4-chloro-1-methylpyridinium
    30883
    NNU
    ZINC000035570032    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-6-1-
    2-9-4-5(6)3-8/h1-2,4H,3,8
    H2;
    ORHVJXZYOADENO-UHFFFAOYSA-N    		 Clc1ccncc1CN; c1cncc(c1Cl)CN; NCc1cnccc1
    Cl    		 1-(4-chloropyridin-3-yl)methanamine
    30884
    NNV
    ZINC000085589516    		 3 C14 H14 N2 O4 InChI=1S/C14H14N2O4/c17-1
    3(18)7-3-1-5-9-11(7)16-10
    -6-2-4-8(14(19)20)12(10)1
    5-9/h1-2,5-8,11,16H,3-4H2
    ,(H,17,18)(H,19,20)/t7-,8
    -,11+/m1/s1;
    FXTPBWZKMDQSSJ-XLDPMVHQSA-N    		 OC(=O)[CH]1CC=CC2=NC3=C(N[CH]12)C=CC[CH]
    3C(O)=O; C1C=CC2=NC3=C(C=CC[C@H]3C(=O)O)
    NC2[C@@H]1C(=O)O; OC(=O)[C@@H]1CC=CC2=NC
    3=C(N[C@@H]12)C=CC[C@H]3C(O)=O; C1C=CC2=
    NC3=C(C=CCC3C(=O)O)NC2C1C(=O)O; O=C(O)C3
    C=2N=C1C=CCC(C(=O)O)C1NC=2C=CC3    		 (1R,5aS,6R)-1,2,5,5a,6,7-hexahydrophenazine-1,6-dicarboxylic acid
    30885
    NNW
    CHEMBL1188378
    ZINC000000158598    		 2 C6 H8 N2 InChI=1S/C6H8N2/c7-5-6-1-
    3-8-4-2-6/h1-4H,5,7H2;
    TXQWFIVRZNOPCK-UHFFFAOYSA-N    		 NCc1ccncc1; c1cnccc1CN; n1ccc(cc1)CN 1-(pyridin-4-yl)methanamine
    30886
    NNX
    ZINC000098209240    		 0 C7 H10 Cl N2 InChI=1S/C7H10ClN2/c1-10-
    3-2-6(8)4-7(10)5-9/h2-4H,
    5,9H2,1H3/q+1;
    LNGYGZSEXVDQEO-UHFFFAOYSA-N    		 C[n+]1ccc(Cl)cc1CN; C[n+]1ccc(cc1CN)Cl;
    Clc1cc[n+](c(c1)CN)C    		 2-(aminomethyl)-4-chloro-1-methylpyridinium
    30887
    NNY
    CHEMBL4588770
    ZINC000039051096    		 0 C6 H7 Cl N2 InChI=1S/C6H7ClN2/c7-5-1-
    2-9-6(3-5)4-8/h1-3H,4,8H2;
    FZCYDUZIHRNWSQ-UHFFFAOYSA-N    		 NCc1cc(Cl)ccn1; c1cnc(cc1Cl)CN; Clc1ccnc
    (c1)CN    		 1-(4-chloropyridin-2-yl)methanamine
    30888
    NNZ    		 0 C7 H11 N2 InChI=1S/C7H11N2/c1-9-5-3
    -2-4-7(9)6-8/h2-5H,6,8H2,
    1H3/q+1;
    YORFTLSSGMZBTM-UHFFFAOYSA-N    		 NCc1[n+](cccc1)C; C[n+]1ccccc1CN 2-(aminomethyl)-1-methylpyridinium
    30889
    NO
    CHEMBL1234765    		 173 N O InChI=1S/HNO/c1-2/h1H;
    ODUCDPQEXGNKDN-UHFFFAOYSA-N    		 [N]=O NITRIC OXIDE;
    Nitrogen monoxide
    30890
    NO0    		 1 C19 H14 N2 O InChI=1S/C19H14N2O/c1-2-1
    4-6-5-7-15(10-14)11-19(22
    )21-18-13-20-12-16-8-3-4-
    9-17(16)18/h1,3-10,12-13H
    ,11H2,(H,21,22);
    CLLYBOMGFSNDSO-UHFFFAOYSA-N    		 C#Cc1cccc(c1)CC(=O)Nc1cncc2ccccc21; C#Cc
    1cccc(c1)CC(=O)Nc2cncc3c2cccc3; O=C(Cc1c
    ccc(c1)C#C)Nc2cncc3ccccc23    		 2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide
    30891
    NO1
    ZINC000058638859    		 1 C11 H11 N O3 InChI=1S/C11H11NO3/c1-6-9
    -7(5-13)3-2-4-8(9)12-10(6
    )11(14)15/h2-4,12-13H,5H2
    ,1H3,(H,14,15);
    BSECKLZXEJBFRE-UHFFFAOYSA-N    		 Cc1c2c(cccc2[nH]c1C(=O)O)CO; O=C(O)c2c(c
    1c(cccc1n2)CO)C; Cc1c([nH]c2cccc(CO)c12)
    C(O)=O    		 4-(hydroxymethyl)-3-methyl-1H-indole-2-carboxylic acid
    30892
    NO2
    DB12529    		 403 N O2 InChI=1S/HNO2/c2-1-3/h(H,
    2,3)/p-1;
    IOVCWXUNBOPUCH-UHFFFAOYSA-M    		 [O-]N=O; N(=O)[O-] NITRITE ION
    30893
    NO3
    CHEMBL186200
    DB14049    		 166 N O3 InChI=1S/NO3/c2-1(3)4/q-1;
    NHNBFGGVMKEFGY-UHFFFAOYSA-N    		 [O-][N+]([O-])=O; [N+](=O)([O-])[O-] NITRATE ION
    30894
    NO4
    CHEMBL1625834
    ZINC000002132373    		 6 C15 H21 N InChI=1S/C15H21N/c1-3-7-1
    4(8-4-1)11-12-16-13-15-9-
    5-2-6-10-15/h2,5-7,9-10,1
    6H,1,3-4,8,11-13H2;
    RTJNHLXWVAXRBH-UHFFFAOYSA-N    		 c1ccc(cc1)CNCCC2=CCCCC2; C1CCC(=CC1)CCNC
    c2ccccc2; c1ccc(cc1)CNCCC=2CCCCC=2    		 N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine
    30895
    NO5    		 2 C5 H12 N2 O4 S InChI=1S/C5H12N2O4S/c1-3(
    2)4(5(8)9)7-12(6,10)11/h3
    -4,7H,1-2H3,(H,8,9)(H2,6,
    10,11)/t4-/m0/s1;
    IIRKLFOBJZBWGF-BYPYZUCNSA-N    		 CC(C)[CH](N[S](N)(=O)=O)C(O)=O; CC(C)C(C
    (=O)O)NS(=O)(=O)N; CC(C)[C@H](N[S](N)(=O
    )=O)C(O)=O; CC(C)[C@@H](C(=O)O)NS(=O)(=O
    )N    		 (2~{S})-3-methyl-2-(sulfamoylamino)butanoic acid
    30896
    NO6    		 6 C9 H12 N2 O2 S InChI=1S/C9H12N2O2S/c10-8
    (9(12)13)6-14-5-7-3-1-2-4
    -11-7/h1-4,8H,5-6,10H2,(H
    ,12,13)/t8-/m0/s1;
    LHCQVBLTAYDREK-QMMMGPOBSA-N    		 c1ccnc(c1)CSCC(C(=O)O)N; c1ccnc(c1)CSC[C
    @@H](C(=O)O)N; N[CH](CSCc1ccccn1)C(O)=O;
    N[C@@H](CSCc1ccccn1)C(O)=O; O=C(O)C(N)C
    SCc1ccccn1    		 S-[(pyridin-2-yl)methyl]-L-cysteine
    30897
    NO7    		 1 C13 H17 N5 O10 P2 InChI=1S/C13H17N5O10P2/c1
    -2-3-14-11-8-12(16-5-15-1
    1)18(6-17-8)13-10(20)9(19
    )7(27-13)4-26-30(24,25)28
    -29(21,22)23/h1,5-7,9-10,
    13,19-20H,3-4H2,(H,24,25)
    (H,14,15,16)(H2,21,22,23)
    /t7-,9-,10-,13+/m1/s1;
    DYWGWOPDXRINLT-HMMKDHSLSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(O)=O)n2cnc3c(NCC#C)ncnc23; O[C@H]1[C
    @@H](O)[C@H](O[C@@H]1CO[P](O)(=O)O[P](O)
    (O)=O)n2cnc3c(NCC#C)ncnc23; C#CCNc1c2c(n
    cn1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)
    O)O)O; C#CCNc1c2c(ncn1)n(cn2)[C@@H]3[C@@
    H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)
    O)O; c21ncn(c1ncnc2NCC#C)C3C(C(C(COP(O)(
    =O)OP(O)(O)=O)O3)O)O    		 9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-alpha-D-ribofuranosyl}-N-(prop-2-yn-1-yl)-9H-purin-6-amine
    30898
    NO8    		 8 C33 H55 N9 O14 InChI=1S/C33H55N9O14/c1-1
    4(34)31(53)42-10-6-8-20(4
    2)29(51)36-11-22(46)39-18
    (12-43)28(50)40-23(30(52)
    37-15(2)32(54)41-9-5-7-19
    (41)27(35)49)16(3)55-33-2
    4(38-17(4)45)26(48)25(47)
    21(13-44)56-33/h14-16,18-
    21,23-26,33,43-44,47-48H,
    5-13,34H2,1-4H3,(H2,35,49
    )(H,36,51)(H,37,52)(H,38,
    45)(H,39,46)(H,40,50)/t14
    -,15-,16+,18-,19-,20-,21+
    ,23-,24+,25-,26+,33-/m0/s
    1;
    SQMBDAVTEXMIPT-PEECNIKTSA-N    		 C[CH](N)C(=O)N1CCC[CH]1C(=O)NCC(=O)N[CH]
    (CO)C(=O)N[CH]([CH](C)O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2NC(C)=O)C(=O)N[CH](C)C(=
    O)N3CCC[CH]3C(N)=O; C[C@H]([C@@H](C(=O)N
    [C@@H](C)C(=O)N1CCC[C@H]1C(=O)N)NC(=O)[C
    @H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@
    H](C)N)O[C@@H]3[C@@H]([C@H]([C@H]([C@H](
    O3)CO)O)O)NC(=O)C; C[C@H](N)C(=O)N1CCC[C
    @H]1C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](
    [C@@H](C)O[C@H]2O[C@H](CO)[C@H](O)[C@H](
    O)[C@H]2NC(C)=O)C(=O)N[C@@H](C)C(=O)N3CC
    C[C@H]3C(N)=O; CC(C(C(=O)NC(C)C(=O)N1CCC
    C1C(=O)N)NC(=O)C(CO)NC(=O)CNC(=O)C2CCCN2
    C(=O)C(C)N)OC3C(C(C(C(O3)CO)O)O)NC(=O)C    		 (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide
    30899
    NO9
    ZINC000032627677    		 6 C7 H9 N O5 S InChI=1S/C7H9NO5S/c1-3-5(
    7(9)10)6(4(2)13-3)14(8,11
    )12/h1-2H3,(H,9,10)(H2,8,
    11,12);
    YPWRJNLSEWKOGW-UHFFFAOYSA-N    		 Cc1c(c(c(o1)C)S(=O)(=O)N)C(=O)O; Cc1oc(C
    )c(c1C(O)=O)[S](N)(=O)=O    		 2,5-dimethyl-4-sulfamoyl-furan-3-carboxylic acid
    30900
    NOA
    CHEMBL1234781
    DB08286
    ZINC000000038389    		 1 C12 H10 O3 InChI=1S/C12H10O3/c13-12(
    14)8-15-11-7-3-5-9-4-1-2-
    6-10(9)11/h1-7H,8H2,(H,13
    ,14);
    GHRYSOFWKRRLMI-UHFFFAOYSA-N    		 c1ccc2c(c1)cccc2OCC(=O)O; O=C(O)COc2cccc
    1ccccc12; OC(=O)COc1cccc2ccccc12    		 NAPHTHYLOXYACETIC ACID
    30901
    NOB    		 16 B2 H3 Li O5 InChI=1S/B2H3O5.Li/c3-1(4
    )7-2(5)6;/h3-5H;/q-1;+1;
    OBDSFKZXLCSJJG-UHFFFAOYSA-N    		 [Li]OB(O)OB(O)O (dihydroxyboranyloxy-hydroxy-boranyl)oxylithium
    30902
    NOC
    ZINC000058638705    		 1 C11 H15 N5 O3 InChI=1S/C11H15N5O3/c12-1
    0-7-11(14-3-13-10)16(4-15
    -7)6-1-5(2-17)8(18)9(6)19
    /h3-6,8-9,17-19H,1-2H2,(H
    2,12,13,14)/t5-,6+,8-,9-/
    m0/s1;
    UGRNVLGKAGREKS-FAYXRDSDSA-N    		 Nc1ncnc2n(cnc12)[C@@H]3C[C@@H](CO)[C@H](
    O)[C@H]3O; Nc1ncnc2n(cnc12)[CH]3C[CH](CO
    )[CH](O)[CH]3O; c1nc(c2c(n1)n(cn2)C3CC(C
    (C3O)O)CO)N; n1c(c2ncn(c2nc1)C3CC(CO)C(O
    )C3O)N; c1nc(c2c(n1)n(cn2)[C@@H]3CC([C@@
    H]([C@H]3O)O)CO)N    		 3-(6-AMINO-PURIN-9-YL)-5-HYDROXYMETHYL-CYCLOPENTANE-1,2-DIOL;
    NEPLANOCIN
    30903
    NOD
    ZINC000043649746    		 0 C29 H33 N O12 InChI=1S/C29H33NO12/c1-12
    -24(34)15(30-6-7-31)8-19(
    41-12)42-17-10-29(39,18(3
    3)11-32)9-14-21(17)28(38)
    23-22(26(14)36)25(35)13-4
    -3-5-16(40-2)20(13)27(23)
    37/h3-5,12,15,17,19,24,30
    -32,34,36,38-39H,6-11H2,1
    -2H3/t12-,15+,17-,19-,24+
    ,29-/m0/s1;
    XZJOMGCCXRRFJX-MIDWVNFUSA-N    		 O=C2c1c(O)c5c(c(O)c1C(=O)c3cccc(OC)c23)C
    C(O)(C(=O)CO)CC5OC4OC(C(O)C(NCCO)C4)C; C
    [C@H]1[C@H](C(C[C@@H](O1)O[C@H]2C[C@@](C
    c3c2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C
    (=O)CO)O)NCCO)O; CC1C(C(CC(O1)OC2CC(Cc3c
    2c(c4c(c3O)C(=O)c5cccc(c5C4=O)OC)O)(C(=O
    )CO)O)NCCO)O; COc1cccc2C(=O)c3c(O)c4C[C]
    (O)(C[CH](O[CH]5C[CH](NCCO)[CH](O)[CH](C
    )O5)c4c(O)c3C(=O)c12)C(=O)CO; COc1cccc2C
    (=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@@
    H](NCCO)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)
    c12)C(=O)CO    		 N-ETHYLHYDROXY-DOXORUBICIN
    30904
    NOE
    DB02646    		 4 C2 H5 N O InChI=1S/C2H5NO/c1-2-3-4/
    h2H2,1H3;
    IFYCAQIXDKZDTB-UHFFFAOYSA-N    		 O=NCC; CCN=O NITROSOETHANE
    30905
    NOF    		 15 C34 H45 Cl Ir N5 O4 S InChI=1S/C24H31N5O4S.C10H
    15.ClH.Ir/c1-24(2,3)33-23
    (32)28-16-11-10-15(14-7-6
    -12-25-20(14)16)26-19(30)
    9-5-4-8-18-21-17(13-34-18
    )27-22(31)29-21;1-6-7(2)9
    (4)10(5)8(6)3;;/h6-7,10-1
    2,17-18,21H,4-5,8-9,13H2,
    1-3H3,(H4,25,26,27,28,29,
    30,31,32);1-5H3;1H;/q;;;+
    3/p-2/t17-,18-,21-;;;/m0.
    ../s1;
    NIFXELQADIYDEE-HVXVAELJSA-L    		 CC12C3([Ir]1456(C2(C4(C53C)C)C)([n+]7ccc
    c8c7c(ccc8NC(=O)CCCCC9C1C(CS9)NC(=O)N1)N
    6C(=O)OC(C)(C)C)Cl)C; CC12C3([Ir]1456(C2
    (C4(C53C)C)C)([n+]7cccc8c7c(ccc8NC(=O)CC
    CC[C@H]9[C@@H]1[C@H](CS9)NC(=O)N1)N6C(=O
    )OC(C)(C)C)Cl)C; CC1C(C)C(C)C(C)C1C.CC(C
    )(C)OC(=O)N2[Ir](Cl)[n+]3cccc4c(NC(=O)CC
    CC[CH]5SC[CH]6NC(=O)N[CH]56)ccc2c34; CC1
    C(C)C(C)C(C)C1C.CC(C)(C)OC(=O)N2[Ir](Cl)
    [n+]3cccc4c(NC(=O)CCCC[C@@H]5SC[C@@H]6NC
    (=O)N[C@H]56)ccc2c34    		 tert-butyl 7'-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-1-chloranyl-2,3,4,5,6-pentamethyl-spiro[1$l^{8}-iridapentacyclo[2.2.0.0^{1,3}.0^{1,5}.0^{2,6}]hexane-1,2'-3-aza-1-azonia-2$l^{8}-iridatricyclo[6.3.1.0^{4,12}]dodeca-1(11),4,6,8(12),9-pentaene]-3'-carboxylate;
    iridium catalyst for CH activation
    30906
    NOG
    CHEMBL1389
    DB00367
    ZINC000003814395    		 3 C21 H28 O2 InChI=1S/C21H28O2/c1-3-20
    -11-9-17-16-8-6-15(22)13-
    14(16)5-7-18(17)19(20)10-
    12-21(20,23)4-2/h2,13,16-
    19,23H,3,5-12H2,1H3/t16-,
    17+,18+,19-,20-,21-/m0/s1;
    WWYNJERNGUHSAO-XUDSTZEESA-N    		 CCC12CCC3C(C1CCC2(C#C)O)CCC4=CC(=O)CCC34
    ; O=C4C=C3C(C2CCC1(C(CCC1(C#C)O)C2CC3)CC
    )CC4; CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)
    CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C; CC[C@]1
    2CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4
    =CC(=O)CC[C@H]34; CC[C]12CC[CH]3[CH](CCC
    4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C    		 13-BETA-ETHYL-17-ALPHA-ETHYNYL-17-BETA-HYDROXYGON-4-EN-3-ONE;
    NORGESTREL
    30907
    NOH
    CHEMBL1161227    		 13 C9 H14 N3 O8 P InChI=1S/C9H14N3O8P/c13-5
    -3-8(20-6(5)4-19-21(16,17
    )18)12-2-1-7(11-15)10-9(1
    2)14/h1-2,5-6,8,13,15H,3-
    4H2,(H,10,11,14)(H2,16,17
    ,18)/t5-,6+,8+/m0/s1;
    YKOWBJJOJNGCAD-SHYZEUOFSA-N    		 ONC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](
    CO[P](O)(O)=O)O2; C1[C@@H]([C@H](O[C@H]1
    N2C=CC(=NC2=O)NO)COP(=O)(O)O)O; ONC1=NC(
    =O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=
    O)O2; C1C(C(OC1N2C=CC(=NC2=O)NO)COP(=O)(
    O)O)O; O=P(O)(O)OCC2OC(N1C(=O)N=C(NO)C=C
    1)CC2O    		 2'-deoxy-N-hydroxycytidine 5'-(dihydrogen phosphate)
    30908
    NOI    		 1 C12 H12 Cl N3 O InChI=1S/C12H12ClN3O/c1-1
    6-8-14-7-11(16)15-12(17)6
    -9-3-2-4-10(13)5-9/h2-5,7
    -8H,6H2,1H3,(H,15,17);
    DVAZCJFDVZFHLG-UHFFFAOYSA-N    		 Cn1cncc1NC(=O)Cc2cccc(c2)Cl; Cn1cncc1NC(
    =O)Cc2cccc(Cl)c2; O=C(Nc1cncn1C)Cc1cccc(
    Cl)c1    		 2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide
    30909
    NOJ
    CHEMBL307429
    DB03206
    ZINC000003794714    		 55 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    5(10)6(11)4(9)1-7-3/h3-11
    H,1-2H2/t3-,4+,5-,6-/m1/s
    1;
    LXBIFEVIBLOUGU-JGWLITMVSA-N    		 OC1C(NCC(O)C1O)CO; C1C(C(C(C(N1)CO)O)O)O
    ; C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)
    O; OC[CH]1NC[CH](O)[CH](O)[CH]1O; OC[C@H
    ]1NC[C@H](O)[C@@H](O)[C@@H]1O    		 1-DEOXYNOJIRIMYCIN;
    MORANOLINE
    30910
    NOK
    CHEMBL382689
    ZINC000005167384    		 8 C8 H16 N2 O4 InChI=1S/C8H16N2O4/c1-4(1
    2)10-5-2-9-6(3-11)8(14)7(
    5)13/h5-9,11,13-14H,2-3H2
    ,1H3,(H,10,12)/t5-,6+,7+,
    8+/m0/s1;
    GBRAQQUMMCVTAV-LXGUWJNJSA-N    		 CC(=O)N[CH]1CN[CH](CO)[CH](O)[CH]1O; CC(
    =O)NC1CNC(C(C1O)O)CO; CC(=O)N[C@H]1CN[C@
    H](CO)[C@@H](O)[C@@H]1O; CC(=O)N[C@H]1CN
    [C@@H]([C@H]([C@@H]1O)O)CO; O=C(NC1C(O)C
    (O)C(NC1)CO)C    		 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN
    30911
    NOL
    ZINC000016052090    		 4 C32 H50 N4 O7 InChI=1S/C32H50N4O7/c1-21
    (43-32(2,3)4)27(36-31(41)
    42-20-23-13-9-6-10-14-23)
    30(40)35-26(17-22-11-7-5-
    8-12-22)29(39)34-25(19-37
    )18-24-15-16-33-28(24)38/
    h6,9-10,13-14,21-22,24-27
    ,37H,5,7-8,11-12,15-20H2,
    1-4H3,(H,33,38)(H,34,39)(
    H,35,40)(H,36,41)/t21-,24
    +,25+,26+,27+/m1/s1;
    YIWYOEOSWRXENJ-FFXRMZKPSA-N    		 CC(C(C(=O)NC(CC1CCCCC1)C(=O)NC(CC2CCNC2=
    O)CO)NC(=O)OCc3ccccc3)OC(C)(C)C; C[CH](O
    C(C)(C)C)[CH](NC(=O)OCc1ccccc1)C(=O)N[CH
    ](CC2CCCCC2)C(=O)N[CH](CO)C[CH]3CCNC3=O;
    C[C@H]([C@@H](C(=O)N[C@@H](CC1CCCCC1)C(
    =O)N[C@@H](C[C@@H]2CCNC2=O)CO)NC(=O)OCc3
    ccccc3)OC(C)(C)C; C[C@@H](OC(C)(C)C)[C@H
    ](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC2CCCCC
    2)C(=O)N[C@H](CO)C[C@@H]3CCNC3=O; O=C(OC
    c1ccccc1)NC(C(=O)NC(C(=O)NC(CC2C(=O)NCC2
    )CO)CC3CCCCC3)C(OC(C)(C)C)C    		 N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE
    30912
    NOM
    DB01668
    ZINC000004983927    		 1 C16 H12 O6 InChI=1S/C16H12O6/c1-6-11
    -13(16-9(21-6)5-10(18)22-
    16)14(19)7-3-2-4-8(17)12(
    7)15(11)20/h2-4,6,9,16-17
    H,5H2,1H3/t6-,9-,16-/m0/s
    1;
    XUWPJKDMEZSVTP-UOSCCXBLSA-N    		 C[CH]1O[CH]2CC(=O)O[CH]2C3=C1C(=O)c4c(O)
    cccc4C3=O; C[C@@H]1O[C@H]2CC(=O)O[C@@H]2
    C3=C1C(=O)c4c(O)cccc4C3=O; O=C1C3=C(C(=O
    )c2c1cccc2O)C(OC4CC(=O)OC34)C; C[C@H]1C2
    =C(C3[C@@H](O1)CC(=O)O3)C(=O)c4cccc(c4C2
    =O)O; CC1C2=C(C3C(O1)CC(=O)O3)C(=O)c4ccc
    c(c4C2=O)O    		 7-HYDROXY-5-METHYL-3,3A,5,11B-TETRAHYDRO-1,4-DIOXA-CYCLOPENTA[A]ANTHRACENE-2,6,11-TRIONE;
    NANAOMYCIN D
    30913
    NON
    CHEMBL1234788
    DB01631
    ZINC000002039285    		 2 C10 H20 O2 InChI=1S/C10H20O2/c1-3-4-
    5-6-7-8-9-10(11)12-2/h3-9
    H2,1-2H3;
    IJXHLVMUNBOGRR-UHFFFAOYSA-N    		 CCCCCCCCC(=O)OC; O=C(OC)CCCCCCCC METHYL NONANOATE (ESTER)
    30914
    NOO
    ZINC000066157186    		 1 C14 H23 N O2 InChI=1S/C14H23NO2/c1-2-3
    -4-5-6-10-14(17)15-12-8-7
    -9-13(16)11-12/h11H,2-10H
    2,1H3,(H,15,17);
    USNFUKCPLYEHLS-UHFFFAOYSA-N    		 O=C1C=C(NC(=O)CCCCCCC)CCC1; CCCCCCCC(=O)
    NC1=CC(=O)CCC1    		 N-(3-oxocyclohex-1-en-1-yl)octanamide
    30915
    NOP
    DB03629
    ZINC000033367564    		 1 C8 H10 N O7 P InChI=1S/C8H10NO7P/c1-5-8
    (11)7(3-10)6(2-9(5)12)4-1
    6-17(13,14)15/h2-3,11H,4H
    2,1H3,(H2,13,14,15);
    BBWRYPTUKZTWFD-UHFFFAOYSA-N    		 Cc1c(c(c(c[n+]1[O-])COP(=O)(O)O)C=O)O; [
    O-][n+]1cc(c(C=O)c(O)c1C)COP(=O)(O)O; Cc
    1c(O)c(C=O)c(CO[P](O)(O)=O)c[n+]1[O-]    		 PYRIDOXAL-5'-PHOSPHATE-N-OXIDE
    30916
    NOQ
    DB08287
    ZINC000016052009    		 1 C17 H26 N2 O4 S InChI=1S/C17H26N2O4S/c1-2
    3-14-6-8-15(9-7-14)24(21,
    22)12-13-4-2-3-5-16(13)17
    (20)19-11-10-18/h6-9,13,1
    6H,2-5,10-12,18H2,1H3,(H,
    19,20)/t13-,16+/m0/s1;
    QTGNVZPFJQOWFL-XJKSGUPXSA-N    		 O=S(=O)(c1ccc(OC)cc1)CC2C(C(=O)NCCN)CCCC
    2; COc1ccc(cc1)S(=O)(=O)CC2CCCCC2C(=O)NC
    CN; COc1ccc(cc1)S(=O)(=O)C[C@@H]2CCCC[C@
    H]2C(=O)NCCN; COc1ccc(cc1)[S](=O)(=O)C[C
    H]2CCCC[CH]2C(=O)NCCN; COc1ccc(cc1)[S](=
    O)(=O)C[C@@H]2CCCC[C@H]2C(=O)NCCN    		 (1R,2R)-N-(2-AMINOETHYL)-2-{[(4-METHOXYPHENYL)SULFONYL]METHYL}CYCLOHEXANECARBOXAMIDE
    30917
    NOR
    DB08288
    ZINC000005977113    		 0 C13 H25 N O3 InChI=1S/C13H25NO3/c1-9(2
    )17-13(16)12(15)11(14)8-1
    0-6-4-3-5-7-10/h9-12,15H,
    3-8,14H2,1-2H3/t11-,12+/m
    0/s1;
    GSYSEQUYQXPNHH-NWDGAFQWSA-N    		 CC(C)OC(=O)C(C(CC1CCCCC1)N)O; CC(C)OC(=O
    )[CH](O)[CH](N)CC1CCCCC1; CC(C)OC(=O)[C@
    @H]([C@H](CC1CCCCC1)N)O; CC(C)OC(=O)[C@H
    ](O)[C@@H](N)CC1CCCCC1; O=C(OC(C)C)C(O)C
    (N)CC1CCCCC1    		 CYCLOHEXYL-NORSTATINE
    30918
    NOS
    CHEMBL1556
    DB04335
    ZINC000008855117    		 65 C10 H12 N4 O5 InChI=1S/C10H12N4O5/c15-1
    -4-6(16)7(17)10(19-4)14-3
    -13-5-8(14)11-2-12-9(5)18
    /h2-4,6-7,10,15-17H,1H2,(
    H,11,12,18)/t4-,6-,7-,10-
    /m1/s1;
    UGQMRVRMYYASKQ-KQYNXXCUSA-N    		 OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3C(
    =O)NC=Nc23; OC[CH]1O[CH]([CH](O)[CH]1O)n
    2cnc3C(=O)NC=Nc23; c1nc2c(n1C3C(C(C(O3)C
    O)O)O)N=CNC2=O; c1nc2c(n1[C@H]3[C@@H]([C
    @@H]([C@H](O3)CO)O)O)N=CNC2=O    		 INOSINE
    30919
    NOT
    ZINC000035854941    		 1 C6 H12 N4 O2 InChI=1S/C6H12N4O2/c7-5(6
    (11)12)3-1-2-4-9-10-8/h5H
    ,1-4,7H2,(H,11,12)/t5-/m0
    /s1;
    HTFFMYRVHHNNBE-YFKPBYRVSA-N    		 C(CCN=[N+]=[N-])CC(C(=O)O)N; N[C@@H](CCC
    CN=[N+]=[N-])C(O)=O; C(CCN=[N+]=[N-])C[C
    @@H](C(=O)O)N; [N-]=[N+]=N/CCCCC(N)C(=O)
    O; N[CH](CCCCN=[N+]=[N-])C(O)=O    		 6-azido-L-norleucine;
    AZIDONORLEUCINE
    30920
    NOU    		 2 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-7(
    9(13)14)4-6-12-8-3-1-2-5-
    11-8/h1-3,5,7H,4,6,10H2,(
    H,11,12)(H,13,14)/t7-/m0/
    s1;
    QJIQHEBKRNDRHG-ZETCQYMHSA-N    		 N[CH](CCNc1ccccn1)C(O)=O; N[C@@H](CCNc1c
    cccn1)C(O)=O; c1ccnc(c1)NCCC(C(=O)O)N; c
    1ccnc(c1)NCC[C@@H](C(=O)O)N; O=C(O)C(N)C
    CNc1ccccn1    		 (2S)-2-amino-4-[(pyridin-2-yl)amino]butanoic acid
    30921
    NOV
    CHEMBL36506
    DB01051
    ZINC000014879999    		 30 C31 H36 N2 O11 InChI=1S/C31H36N2O11/c1-1
    4(2)7-8-16-13-17(9-11-19(
    16)34)27(37)33-21-22(35)1
    8-10-12-20(15(3)24(18)42-
    28(21)38)41-29-23(36)25(4
    3-30(32)39)26(40-6)31(4,5
    )44-29/h7,9-13,23,25-26,2
    9,34-36H,8H2,1-6H3,(H2,32
    ,39)(H,33,37)/t23-,25+,26
    -,29-/m1/s1;
    YJQPYGGHQPGBLI-KGSXXDOSSA-N    		 Cc1c(ccc2c1OC(=O)C(=C2O)NC(=O)c3ccc(c(c3
    )CC=C(C)C)O)O[C@H]4[C@@H]([C@@H]([C@H](C
    (O4)(C)C)OC)OC(=O)N)O; CO[CH]1[CH](OC(N)
    =O)[CH](O)[CH](Oc2ccc3C(=C(NC(=O)c4ccc(O
    )c(CC=C(C)C)c4)C(=O)Oc3c2C)O)OC1(C)C; O=
    C(c1ccc(O)c(c1)C\C=C(/C)C)NC3=C(O)c4ccc(
    OC2OC(C(OC)C(OC(=O)N)C2O)(C)C)c(c4OC3=O)
    C; CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H
    ](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c
    4)C(=O)Oc3c2C)O)OC1(C)C; Cc1c(ccc2c1OC(=
    O)C(=C2O)NC(=O)c3ccc(c(c3)CC=C(C)C)O)OC4
    C(C(C(C(O4)(C)C)OC)OC(=O)N)O    		 NOVOBIOCIN;
    4-Hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)benzamido]-8-methylcoumarin-7-yl 3-O-carbamoyl-5,5-di-C-methyl-alpha-l-lyxofuranoside
    30922
    NOW    		 4 C21 H29 N5 O2 InChI=1S/C21H29N5O2/c1-14
    -7-6-8-15(11-14)12-16(19(
    27)23-10-9-22)24-20(28)17
    -13-18(21(2,3)4)25-26(17)
    5/h6-9,11,13,16,22H,10,12
    H2,1-5H3,(H,23,27)(H,24,2
    8)/b22-9+/t16-/m0/s1;
    TVOGNNSPACVESK-QPCOYWRUSA-N    		 [H]N=CCNC(=O)C(Cc1cccc(c1)C)NC(=O)c2cc(n
    n2C)C(C)(C)C; [H]/N=C\CNC(=O)[C@H](Cc1cc
    cc(c1)C)NC(=O)c2cc(nn2C)C(C)(C)C; Cn1nc(
    cc1C(=O)N[C@@H](Cc2cccc(C)c2)C(=O)NCC=N)
    C(C)(C)C; Cn1nc(cc1C(=O)N[CH](Cc2cccc(C)
    c2)C(=O)NCC=N)C(C)(C)C; O=C(c1cc(nn1C)C(
    C)(C)C)NC(C(=O)NCC=[N@H])Cc2cccc(c2)C    		 Nalpha-[(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-N-[(2Z)-2-iminoethyl]-3-methyl-L-phenylalaninamide
    30923
    NOX
    DB08289
    ZINC000006251339    		 2 C18 H26 N2 O4 InChI=1S/C18H26N2O4/c21-1
    7(5-4-6-18(22)23)19-16-9-
    7-15(8-10-16)11-14-20(24)
    12-2-1-3-13-20/h7-10H,1-6
    ,11-14H2,(H,19,21)(H,22,2
    3);
    RKJXWOJUCCBWSC-UHFFFAOYSA-N    		 c1cc(ccc1CC[N+]2(CCCCC2)[O-])NC(=O)CCCC(
    =O)O; OC(=O)CCCC(=O)Nc1ccc(CC[N+]2([O-])
    CCCCC2)cc1; [O-][N+]2(CCc1ccc(NC(=O)CCCC
    (=O)O)cc1)CCCCC2    		 N-(PARA-GLUTARAMIDOPHENYL-ETHYL)-PIPERIDINIUM-N-OXIDE
    30924
    NOY    		 8 C6 H13 N O4 InChI=1S/C6H13NO4/c8-2-3-
    1-7-6(11)5(10)4(3)9/h3-11
    H,1-2H2/t3-,4-,5+,6-/m1/s
    1;
    BHOYFRIRWXBNHP-ARQDHWQXSA-N    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@H](O)[C@@H](O
    )[C@@H]1O; OC1C(CNC(O)C1O)CO; C1[C@@H]([
    C@H]([C@@H]([C@H](N1)O)O)O)CO    		 (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL
    30925
    NOZ    		 0 C6 H13 N O4 InChI=1/C6H13NO4/c8-2-3-1
    -7-6(11)5(10)4(3)9/h3-11H
    ,1-2H2/t3-,4-,5+,6+/m1/s1;
    BHOYFRIRWXBNHP-ZXXMMSQZBS    		 C1C(C(C(C(N1)O)O)O)CO; OC[CH]1CN[CH](O)[
    CH](O)[CH]1O; OC[C@H]1CN[C@@H](O)[C@@H](
    O)[C@@H]1O; C1[C@@H]([C@H]([C@@H]([C@@H]
    (N1)O)O)O)CO; OC1C(CNC(O)C1O)CO    		 (2S,3S,4R,5R)-5-(hydroxymethyl)piperidine-2,3,4-triol
    30926
    NP    		 3 C14 H18 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20);
    XAYGJFACOIKJCT-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)CC(=O)NCCCCCC(=O)
    O; c1cc(c(cc1CC(=O)NCCCCCC(=O)O)[N+](=O)
    [O-])O; OC(=O)CCCCCNC(=O)Cc1ccc(O)c(c1)[
    N+]([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID
    30927
    NP0    		 0 C3 H9 N O InChI=1S/C3H9NO/c1-2-3-4-
    5/h4-5H,2-3H2,1H3;
    OMXHKVKIKSASRV-UHFFFAOYSA-N    		 CCCNO N-hydroxypropan-1-amine;
    1-nitrosopropane, bound form
    30928
    NP1
    CHEMBL609728
    DB05492
    ZINC000028644947    		 1 C10 H15 N3 O2 InChI=1S/C10H15N3O2/c1-8-
    3-4-9(12-6-2-5-11)10(7-8)
    13(14)15/h3-4,7,12H,2,5-6
    ,11H2,1H3;
    FKZUPMCBVURANR-UHFFFAOYSA-N    		 Cc1ccc(c(c1)[N+](=O)[O-])NCCCN; Cc1ccc(N
    CCCN)c(c1)[N+]([O-])=O; [O-][N+](=O)c1cc
    (ccc1NCCCN)C    		 N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE
    30929
    NP2
    CHEMBL1234797
    DB08291
    ZINC000004045568    		 1 C9 H13 N3 O2 InChI=1S/C9H13N3O2/c10-6-
    3-7-11-8-4-1-2-5-9(8)12(1
    3)14/h1-2,4-5,11H,3,6-7,1
    0H2;
    GVGDDEYVTBKACE-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1NCCCN; c1ccc(c(c1)NC
    CCN)[N+](=O)[O-]; NCCCNc1ccccc1[N+]([O-]
    )=O    		 N-(3-AMINOPROPYL)-2-NITROBENZENAMINE
    30930
    NP3
    ZINC000033370746    		 0 C9 H13 N2 O8 P InChI=1S/C9H13N2O8P/c12-7
    -3-9(10-2-1-6(4-10)11(13)
    14)19-8(7)5-18-20(15,16)1
    7/h1-2,4,7-9,12H,3,5H2,(H
    2,15,16,17)/t7-,8+,9+/m0/
    s1;
    RZUPPTSNKSBSQO-DJLDLDEBSA-N    		 O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)n2ccc(c2
    )[N+]([O-])=O; [O-][N+](=O)c1ccn(c1)C2OC
    (C(O)C2)COP(=O)(O)O; c1cn(cc1[N+](=O)[O-
    ])C2CC(C(O2)COP(=O)(O)O)O; c1cn(cc1[N+](
    =O)[O-])[C@H]2C[C@@H]([C@H](O2)COP(=O)(O
    )O)O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)
    =O)n2ccc(c2)[N+]([O-])=O    		 1-[2-DEOXY-RIBOFURANOSYL]-1H-[3-NITRO-PYRROL]-5'-PHOSPHATE
    30931
    NP4
    DB08292
    ZINC000036966122    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1-;
    AQKZYZQONWDDLS-IWQZZHSRSA-N    		 Oc1cc(O)c2C(=O)OCC\C=C/CCCC(=O)Cc2c1Cl;
    c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C/CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5Z)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30932
    NP5
    DB08293
    ZINC000036966121    		 1 C16 H17 Cl O5 InChI=1S/C16H17ClO5/c17-1
    5-11-8-10(18)6-4-2-1-3-5-
    7-22-16(21)14(11)12(19)9-
    13(15)20/h1,3,9,19-20H,2,
    4-8H2/b3-1+;
    AQKZYZQONWDDLS-HNQUOIGGSA-N    		 c1c(c2c(c(c1O)Cl)CC(=O)CCC\C=C\CCOC2=O)O
    ; O=C1OCCC=CCCCC(=O)Cc2c1c(O)cc(O)c2Cl;
    Oc1cc(O)c2C(=O)OCCC=CCCCC(=O)Cc2c1Cl; Oc
    1cc(O)c2C(=O)OCC/C=C/CCCC(=O)Cc2c1Cl; c1
    c(c2c(c(c1O)Cl)CC(=O)CCCC=CCCOC2=O)O    		 (5E)-12-CHLORO-13,15-DIHYDROXY-4,7,8,9-TETRAHYDRO-2-BENZOXACYCLOTRIDECINE-1,10(3H,11H)-DIONE
    30933
    NP6
    CHEMBL255476
    DB07432
    ZINC000034600850    		 2 C17 H23 N3 O7 InChI=1S/C17H23N3O7/c1-2-
    6-12(22)19-13-15(24)14(23
    )11(9-21)26-16(13)20-27-1
    7(25)18-10-7-4-3-5-8-10/h
    3-5,7-8,11,13-15,21,23-24
    H,2,6,9H2,1H3,(H,18,25)(H
    ,19,22)/b20-16-/t11-,13-,
    14-,15-/m1/s1;
    ITVRELFVFCOUMV-ZVZWZHPPSA-N    		 CCCC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)OC1=
    NOC(=O)Nc2ccccc2; CCCC(=O)NC1C(C(C(OC1=N
    OC(=O)Nc2ccccc2)CO)O)O; O=C(O\N=C1/OC(CO
    )C(O)C(O)C1NC(=O)CCC)Nc2ccccc2; CCCC(=O)
    N[C@@H]\1[C@H]([C@@H]([C@H](O/C1=N\OC(=O
    )Nc2ccccc2)CO)O)O; CCCC(=O)N[C@@H]\1[C@@
    H](O)[C@H](O)[C@@H](CO)OC\1=N\OC(=O)Nc2c
    cccc2    		 [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
    30934
    NP7
    CHEMBL1609857    		 4 C18 H19 Cl N4 O3 InChI=1S/C18H19ClN4O3/c1-
    21-8-10-22(11-9-21)17-7-6
    -13(23(25)26)12-16(17)20-
    18(24)14-4-2-3-5-15(14)19
    /h2-7,12H,8-11H2,1H3,(H,2
    0,24);
    WOGZFCMBPXJNFI-UHFFFAOYSA-N    		 Clc1ccccc1C(=O)Nc3c(N2CCN(C)CC2)ccc([N+]
    ([O-])=O)c3; CN1CCN(CC1)c2ccc(cc2NC(=O)c
    3ccccc3Cl)[N+](=O)[O-]; CN1CCN(CC1)c2ccc
    (cc2NC(=O)c3ccccc3Cl)[N+]([O-])=O    		 2-chloro-N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]benzamide
    30935
    NP8
    CHEMBL3585455
    ZINC000263620429    		 2 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-12
    -7-16-17(13-8-15(27-2)10-
    22-9-13)11-23-19(18(16)25
    -20(12)26)24-14-3-5-21-6-
    4-14/h7-11,14,21H,3-6H2,1
    -2H3,(H,23,24)(H,25,26);
    FPQQERRFPULCIK-UHFFFAOYSA-N    		 COc1cncc(c1)c2cnc(NC3CCNCC3)c4NC(=O)C(=C
    c24)C; CC1=Cc2c(cnc(c2NC1=O)NC3CCNCC3)c4
    cc(cnc4)OC    		 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one
    30936
    NPA
    CHEMBL501822
    DB08294
    ZINC000003861564    		 3 C8 H7 N O5 InChI=1S/C8H7NO5/c10-7-2-
    1-5(4-8(11)12)3-6(7)9(13)
    14/h1-3,10H,4H2,(H,11,12);
    QBHBHOSRLDPIHG-UHFFFAOYSA-N    		 OC(=O)Cc1ccc(O)c(c1)[N+]([O-])=O; c1cc(c
    (cc1CC(=O)O)[N+](=O)[O-])O; O=[N+]([O-])
    c1cc(ccc1O)CC(=O)O    		 2-(4-HYDROXY-3-NITROPHENYL)ACETIC ACID
    30937
    NPB
    CHEMBL20945
    DB02797
    ZINC000169743203    		 3 C6 H6 B N O4 InChI=1S/C6H6BNO4/c9-7(10
    )5-2-1-3-6(4-5)8(11)12/h1
    -4,9-10H;
    ZNRGSYUVFVNSAW-UHFFFAOYSA-N    		 [O-][N+](=O)c1cc(B(O)O)ccc1; OB(O)c1cccc
    (c1)[N+]([O-])=O; B(c1cccc(c1)[N+](=O)[O
    -])(O)O    		 3-NITROPHENYLBORONIC ACID
    30938
    NPC
    DB08295    		 6 C14 H17 N2 O6 InChI=1S/C14H18N2O6/c17-1
    2-6-5-10(8-11(12)16(21)22
    )9-13(18)15-7-3-1-2-4-14(
    19)20/h5-6,8,17H,1-4,7,9H
    2,(H,15,18)(H,19,20)/p-1;
    XAYGJFACOIKJCT-UHFFFAOYSA-M    		 c1cc(c(cc1CC(=O)NCCCCCC(=O)[O-])[N+](=O)
    [O-])O; Oc1ccc(CC(=O)NCCCCCC([O-])=O)cc1
    [N+]([O-])=O; O=[N+]([O-])c1cc(ccc1O)CC(
    =O)NCCCCCC([O-])=O    		 4-HYDROXY-3-NITROPHENYLACETYL-EPSILON-AMINOCAPROIC ACID ANION
    30939
    NPD    		 0 C14 H14 O InChI=1S/C14H14O/c1-11(10
    -15)9-13-7-4-6-12-5-2-3-8
    -14(12)13/h2-8,10-11H,9H2
    ,1H3/t11-/m0/s1;
    RZTRQNRBKAAPDM-NSHDSACASA-N    		 C[CH](Cc1cccc2ccccc12)C=O; C[C@@H](Cc1cc
    cc2c1cccc2)C=O; O=CC(C)Cc2cccc1ccccc12;
    CC(Cc1cccc2c1cccc2)C=O; C[C@@H](Cc1cccc2
    ccccc12)C=O    		 2-METHYL-3-NAPHTHALEN-1-YL-PROPIONALDEHYDE
    30940
    NPE
    DB08296    		 4 C11 H13 N O7 P InChI=1S/C11H14NO7P/c13-1
    1(14)3-1-2-8-20(17,18)19-
    10-6-4-9(5-7-10)12(15)16/
    h4-7H,1-3,8H2,(H,13,14)(H
    ,17,18)/p-1;
    XVVZSEXTAACTPS-UHFFFAOYSA-M    		 OC(=O)CCCC[P]([O-])(=O)Oc1ccc(cc1)[N+]([
    O-])=O; c1cc(ccc1[N+](=O)[O-])OP(=O)(CCC
    CC(=O)O)[O-]; O=P([O-])(Oc1ccc(cc1)[N+](
    [O-])=O)CCCCC(=O)O; c1cc(ccc1[N+](=O)[O-
    ])O[P@@](=O)(CCCCC(=O)O)[O-]    		 5-(PARA-NITROPHENYL PHOSPHONATE)-PENTANOIC ACID
    30941
    NPF
    DB08297
    ZINC000006031723    		 8 C12 H15 N O7 InChI=1S/C12H15NO7/c1-6-9
    (14)10(15)11(16)12(19-6)2
    0-8-5-3-2-4-7(8)13(17)18/
    h2-6,9-12,14-16H,1H3/t6-,
    9+,10+,11-,12+/m1/s1;
    SWRPIVXPHLYETN-BVWHHUJWSA-N    		 C[CH]1O[CH](Oc2ccccc2[N+]([O-])=O)[CH](O
    )[CH](O)[CH]1O; C[C@@H]1[C@@H]([C@@H]([C
    @H]([C@@H](O1)Oc2ccccc2[N+](=O)[O-])O)O)
    O; C[C@H]1O[C@@H](Oc2ccccc2[N+]([O-])=O)
    [C@H](O)[C@@H](O)[C@H]1O; CC1C(C(C(C(O1)
    Oc2ccccc2[N+](=O)[O-])O)O)O; [O-][N+](=O
    )c2c(OC1OC(C(O)C(O)C1O)C)cccc2    		 2-nitrophenyl beta-D-fucopyranoside;
    ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE;
    2-nitrophenyl 6-deoxy-beta-D-galactopyranoside;
    2-nitrophenyl beta-D-fucoside;
    2-nitrophenyl D-fucoside;
    2-nitrophenyl fucoside
    30942
    NPG
    DB03299    		 8 C12 H13 N O5 InChI=1S/C12H13NO5/c14-9(
    6-7-10(15)16)13-11(12(17)
    18)8-4-2-1-3-5-8/h1-5,11H
    ,6-7H2,(H,13,14)(H,15,16)
    (H,17,18)/t11-/m1/s1;
    GQFHIYFXQQEWME-LLVKDONJSA-N    		 OC(=O)CCC(=O)N[CH](C(O)=O)c1ccccc1; c1cc
    c(cc1)C(C(=O)O)NC(=O)CCC(=O)O; OC(=O)CCC
    (=O)N[C@@H](C(O)=O)c1ccccc1; O=C(O)CCC(=
    O)NC(C(=O)O)c1ccccc1; c1ccc(cc1)[C@H](C(
    =O)O)NC(=O)CCC(=O)O    		 N-SUCCINYL PHENYLGLYCINE
    30943
    NPH
    DB04437
    ZINC000006079992    		 0 C17 H16 N4 O3 S InChI=1S/C17H16N4O3S/c18-
    12(17(23)24)8-25-9-14(22)
    21-13-7-10-3-1-5-19-15(10
    )16-11(13)4-2-6-20-16/h1-
    7,12H,8-9,18H2,(H,21,22)(
    H,23,24)/t12-/m0/s1;
    ZFGIPRHDRFOMFO-LBPRGKRZSA-N    		 c1cc2cc(c3cccnc3c2nc1)NC(=O)CSC[C@@H](C(
    =O)O)N; N[CH](CSCC(=O)Nc1cc2cccnc2c3nccc
    c13)C(O)=O; c1cc2cc(c3cccnc3c2nc1)NC(=O)
    CSCC(C(=O)O)N; O=C(O)C(N)CSCC(=O)Nc2cc1c
    ccnc1c3ncccc23; N[C@@H](CSCC(=O)Nc1cc2cc
    cnc2c3ncccc13)C(O)=O    		 CYSTEINE-METHYLENE-CARBAMOYL-1,10-PHENANTHROLINE
    30944
    NPI
    DB03134
    ZINC000001594926    		 11 C7 H13 N O4 InChI=1S/C7H13NO4/c8-5(7(
    11)12)3-1-2-4-6(9)10/h5H,
    1-4,8H2,(H,9,10)(H,11,12)
    /t5-/m0/s1;
    JUQLUIFNNFIIKC-YFKPBYRVSA-N    		 O=C(O)C(N)CCCCC(=O)O; C(CCC(=O)O)CC(C(=O
    )O)N; C(CCC(=O)O)C[C@@H](C(=O)O)N; N[CH]
    (CCCCC(O)=O)C(O)=O; N[C@@H](CCCCC(O)=O)C
    (O)=O    		 (2S)-2-aminoheptanedioic acid;
    L-2-AMINOPIMELIC ACID
    30945
    NPJ
    ZINC000004282193    		 3 C18 H25 N O13 InChI=1S/C18H25NO13/c20-5
    -9-11(22)12(23)14(25)18(3
    0-9)32-16-10(6-21)31-17(1
    5(26)13(16)24)29-8-3-1-7(
    2-4-8)19(27)28/h1-4,9-18,
    20-26H,5-6H2/t9-,10-,11-,
    12+,13-,14-,15-,16-,17+,1
    8-/m1/s1;
    IAYJZWFYUSNIPN-LTHBGAKLSA-N    		 c1cc(ccc1[N+](=O)[O-])OC2C(C(C(C(O2)CO)O
    C3C(C(C(C(O3)CO)O)O)O)O)O; OC[CH]1O[CH](
    O[CH]2[CH](O)[CH](O)[CH](O[CH]2CO)Oc3ccc
    (cc3)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O;
    [O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C
    (O)C1O)C(O)C2O)CO)cc3; c1cc(ccc1[N+](=O)
    [O-])O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O
    3)CO)O)O)O)O)O; OC[C@H]1O[C@H](O[C@H]2[C
    @H](O)[C@@H](O)[C@H](O[C@@H]2CO)Oc3ccc(c
    c3)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1
    O    		 4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE;
    P-NITROPHENYL MALTOSIDE
    30946
    NPK
    ZINC000095920565    		 5 C20 H23 N3 O9 S InChI=1S/C20H23N3O9S/c1-1
    0(11-6-14-15(31-9-30-14)7
    -12(11)23(28)29)32-20(27)
    22-13-8-33-16(18(13)21-19
    (22)26)4-2-3-5-17(24)25/h
    6-7,10,13,16,18H,2-5,8-9H
    2,1H3,(H,21,26)(H,24,25)/
    t10-,13+,16-,18+/m1/s1;
    MVOCLTWEOIJKEV-JTWAPGJUSA-N    		 C[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O
    )N3[C@H]4CS[C@@H]([C@H]4NC3=O)CCCCC(=O)O
    ; CC(c1cc2c(cc1[N+](=O)[O-])OCO2)OC(=O)N
    3C4CSC(C4NC3=O)CCCCC(=O)O; C[CH](OC(=O)N
    1[CH]2CS[CH](CCCCC(O)=O)[CH]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; C[C@@H](OC(=O)N1[C
    @H]2CS[C@H](CCCCC(O)=O)[C@H]2NC1=O)c3cc4
    OCOc4cc3[N+]([O-])=O; [O-][N+](=O)c1cc4O
    COc4cc1C(OC(=O)N2C(=O)NC3C(SCC23)CCCCC(=
    O)O)C    		 5-[(3aS,4R,6aR)-1-{[(1R)-1-(6-nitro-1,3-benzodioxol-5-yl)ethoxy]carbonyl}-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid
    30947
    NPL
    ZINC000006232635    		 2 C9 H16 N2 O5 P InChI=1S/C9H15N2O5P/c1-6-
    9(12)8(3-10)7(4-11(6)2)5-
    16-17(13,14)15/h4H,3,5,10
    H2,1-2H3,(H2-,12,13,14,15
    )/p+1;
    BDHMQTZHNOSTBZ-UHFFFAOYSA-O    		 Cc1c(O)c(CN)c(CO[P](O)(O)=O)c[n+]1C; Cc1
    c(c(c(c[n+]1C)COP(=O)(O)O)CN)O; O=P(O)(O
    )OCc1c[n+](c(c(O)c1CN)C)C    		 N-METHYL-4-DEOXY-4-AMINO-PYRIDOXAL-5-PHOSPHATE
    30948
    NPM
    ZINC000001045493    		 0 C25 H20 N4 InChI=1S/C25H20N4/c1-3-15
    -26-24(5-1)18-28-22-11-7-
    20(8-12-22)17-21-9-13-23(
    14-10-21)29-19-25-6-2-4-1
    6-27-25/h1-16,18-19H,17H2
    /b28-18+,29-19+;
    OMZVNZJNZUGOJK-UOSOPFLXSA-N    		 c1ccnc(c1)\C=N\c2ccc(cc2)Cc3ccc(cc3)/N=C
    /c4ccccn4; N(/c1ccc(cc1)Cc3ccc(/N=C/c2nc
    ccc2)cc3)=C\c4ncccc4; C(c1ccc(cc1)N=Cc2c
    cccn2)c3ccc(cc3)N=Cc4ccccn4; c1ccnc(c1)C
    =Nc2ccc(cc2)Cc3ccc(cc3)N=Cc4ccccn4    		 N-[(1E)-PYRIDIN-2-YLMETHYLENE]-N-[4-(4-{[(1E)-PYRIDIN-2-YLMETHYLENE]AMINO}BENZYL)PHENYL]AMINE;
    1,1-BIS(N-(4-PHENYL)-2-PYRIDYLCARBOXALDIMINE)METHANE
    30949
    NPN
    DB04050    		 4 C4 H7 N InChI=1S/C4H7N/c1-3-4-5-2
    /h3-4H2,1H3;
    FFDKYFGBIQQMSR-UHFFFAOYSA-N    		 isocyanide; CCC[N+]#[C-] N-PROPYL ISOCYANIDE
    30950
    NPO
    CHEMBL14130
    DB04417
    ZINC000034828682    		 131 C6 H5 N O3 InChI=1S/C6H5NO3/c8-6-3-1
    -5(2-4-6)7(9)10/h1-4,8H;
    BTJIUGUIPKRLHP-UHFFFAOYSA-N    		 Oc1ccc(cc1)[N+]([O-])=O; O=[N+]([O-])c1c
    cc(O)cc1; c1cc(ccc1[N+](=O)[O-])O    		 P-NITROPHENOL
    30951
    NPP    		 1 C17 H27 N6 O5 InChI=1S/C17H27N6O5/c1-16
    (2)9-11(10-17(3,4)23(16)2
    8)20-13-7-12(19-6-5-18)14
    (21(24)25)8-15(13)22(26)2
    7/h7-8,11,19-20H,5-6,9-10
    ,18H2,1-4H3/q-1;
    FOFORQYTEPGQOY-UHFFFAOYSA-N    		 [O-]N2C(CC(Nc1cc(NCCN)c([N+]([O-])=O)cc1
    [N+]([O-])=O)CC2(C)C)(C)C; CC1(C)CC(CC(C
    )(C)N1[O-])Nc2cc(NCCN)c(cc2[N+]([O-])=O)
    [N+]([O-])=O; CC1(CC(CC(N1[O-])(C)C)Nc2c
    c(c(cc2[N+](=O)[O-])[N+](=O)[O-])NCCN)C    		 N-(2-AMINO-ETHYL)-4,6-DINITRO-N'-(2,2,6,6-TETRAMETHYL-1-OXY-PIPERIDIN-4-YL)-BENZENE-1,3-DIAMINE
    30952
    NPQ
    ZINC000000128209    		 10 C15 H15 N O3 InChI=1S/C15H15NO3/c1-10(
    17)16-14(15(18)19)9-11-6-
    7-12-4-2-3-5-13(12)8-11/h
    2-8,14H,9H2,1H3,(H,16,17)
    (H,18,19)/t14-/m0/s1;
    HGTIILKZSFKZMS-AWEZNQCLSA-N    		 CC(=O)NC(Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N
    [C@@H](Cc1ccc2ccccc2c1)C(=O)O; CC(=O)N[C
    H](Cc1ccc2ccccc2c1)C(O)=O; CC(=O)N[C@@H]
    (Cc1ccc2ccccc2c1)C(O)=O    		 N-acetyl naphthylalanine
    30953
    NPR    		 17 C9 H13 N5 O4 InChI=1S/C9H13N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h4,6,1
    5-17H,1-2H2,(H4,10,11,13,
    14,18)/t4-,6-/m0/s1;
    YQIFAMYNGGOTFB-NJGYIYPDSA-N    		 NC1=NC(=O)C2=C(NCC(=N2)[CH](O)[CH](O)CO)
    N1; C1C(=NC2=C(N1)NC(=NC2=O)N)C(C(CO)O)O
    ; NC1=NC(=O)C2=C(NCC(=N2)[C@H](O)[C@@H](
    O)CO)N1; O=C1N=C(NC=2NCC(=NC1=2)C(O)C(O)
    CO)N; C1C(=NC2=C(N1)NC(=NC2=O)N)[C@@H]([
    C@@H](CO)O)O    		 2-AMINO-7,8-DIHYDRO-6-(1,2,3-TRIHYDROXYPROPYL)-4(1H)-PTERIDINONE;
    7,8-DIHYDRONEOPTERIN
    30954
    NPS
    CHEMBL154
    DB00788
    ZINC000000105216    		 23 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m0/s1;
    CMWTZPSULFXXJA-VIFPVBQESA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc
    (ccc2c1)[C@H](C)C(O)=O; O=C(O)C(c1ccc2c(
    c1)ccc(OC)c2)C; C[C@@H](c1ccc2cc(ccc2c1)
    OC)C(=O)O; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    NAPROXEN
    30955
    NPT
    ZINC000001648992    		 0 C5 H13 N InChI=1S/C5H13N/c1-5(2,3)
    4-6/h4,6H2,1-3H3;
    XDIAMRVROCPPBK-UHFFFAOYSA-N    		 CC(C)(C)CN; NCC(C)(C)C NEOPENTYLAMINE
    30956
    NPU
    CHEMBL1788114
    ZINC000000157548    		 1 C9 H13 N O InChI=1S/C9H13NO/c1-7(10)
    9(11)8-5-3-2-4-6-8/h2-7,9
    ,11H,10H2,1H3/t7-,9+/m1/s
    1;
    DLNKOYKMWOXYQA-APPZFPTMSA-N    		 CC(C(c1ccccc1)O)N; C[CH](N)[CH](O)c1cccc
    c1; OC(c1ccccc1)C(N)C; C[C@H]([C@@H](c1c
    cccc1)O)N; C[C@@H](N)[C@H](O)c1ccccc1    		 (1R,2R)-2-amino-1-phenylpropan-1-ol
    30957
    NPV
    CHEMBL74078
    DB08299    		 5 C21 H13 N3 O4 InChI=1S/C21H13N3O4/c25-2
    1(26)14-8-6-13(7-9-14)18-
    12-16-4-2-10-22-19(16)20(
    23-18)15-3-1-5-17(11-15)2
    4(27)28/h1-12H,(H,25,26);
    QTNUWEKKZHSUQO-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)c2cc3cccnc3c(n2)c4cccc(c
    4)[N+]([O-])=O; [O-][N+](=O)c1cccc(c1)c3
    nc(cc2c3nccc2)c4ccc(C(=O)O)cc4; c1cc(cc(
    c1)[N+](=O)[O-])c2c3c(cccn3)cc(n2)c4ccc(
    cc4)C(=O)O    		 4-[8-(3-nitrophenyl)-1,7-naphthyridin-6-yl]benzoic acid
    30958
    NPW
    ZINC000008219707    		 3 C21 H32 N7 O18 P3 InChI=1S/C21H32N7O18P3/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(45-47(34,35
    )36)14(31)10(44-21)5-42-4
    9(39,40)46-48(37,38)41-4-
    9-13(30)15(32)20(43-9)27-
    3-8(18(23)33)1-2-11(27)29
    /h3,6-7,9-11,13-16,20-21,
    29-32H,1-2,4-5H2,(H2,23,3
    3)(H,37,38)(H,39,40)(H2,2
    2,24,25)(H2,34,35,36)/t9-
    ,10-,11+,13-,14-,15-,16-,
    20-,21-/m1/s1;
    SZKXTJUOKARGIY-VPHRTNKSSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@@H
    ]4[C@H]([C@H]([C@@H](O4)N5C=C(CC[C@@H]5O
    )C(=O)N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(
    [CH](O)CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O
    )(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]
    3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; NC(=O
    )C1=CN([C@@H](O)CC1)[C@@H]2O[C@H](CO[P](
    O)(=O)O[P](O)(=O)OC[C@H]3O[C@H]([C@H](O[
    P](O)(O)=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@
    @H](O)[C@H]2O; c1nc(c2c(n1)n(cn2)C3C(C(C
    (O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=
    C(CCC5O)C(=O)N)O)O)O)OP(=O)(O)O)N    		 BETA-6-HYDROXY-1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
    30959
    NPX
    CHEMBL1618254
    ZINC000000113439    		 13 C14 H14 O3 InChI=1S/C14H14O3/c1-9(14
    (15)16)10-3-4-12-8-13(17-
    2)6-5-11(12)7-10/h3-9H,1-
    2H3,(H,15,16)/t9-/m1/s1;
    CMWTZPSULFXXJA-SECBINFHSA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)O; C[C@H](c1c
    cc2cc(ccc2c1)OC)C(=O)O; COc1ccc2cc(ccc2c
    1)[C@@H](C)C(O)=O; O=C(O)C(c1ccc2c(c1)cc
    c(OC)c2)C; COc1ccc2cc(ccc2c1)[CH](C)C(O)
    =O    		 (2R)-2-(6-methoxynaphthalen-2-yl)propanoic acid;
    (R)-Naproxen
    30960
    NPY
    CHEMBL16293
    ZINC000000967522    		 3 C10 H8 InChI=1S/C10H8/c1-2-6-10-
    8-4-3-7-9(10)5-1/h1-8H;
    UFWIBTONFRDIAS-UHFFFAOYSA-N    		 c12ccccc1cccc2; c1ccc2ccccc2c1 NAPHTHALENE
    30961
    NPZ
    CHEMBL1234815
    DB08300
    ZINC000020149030    		 1 C16 H13 N5 InChI=1S/C16H13N5/c1-21-1
    6-13(15(17)18-9-19-16)14(
    20-21)12-7-6-10-4-2-3-5-1
    1(10)8-12/h2-9H,1H3,(H2,1
    7,18,19);
    UOKGZPYGRJDACN-UHFFFAOYSA-N    		 Cn1c2c(c(n1)c3ccc4ccccc4c3)c(ncn2)N; n1c
    (c2c(nc1)n(nc2c4cc3ccccc3cc4)C)N; Cn1nc(
    c2ccc3ccccc3c2)c4c(N)ncnc14    		 1-methyl-3-naphthalen-2-yl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    30962
    NQ
    CHEMBL240963
    DB04744
    ZINC000004632115    		 2 C10 H6 O3 InChI=1S/C10H6O3/c11-8-5-
    9(12)10(13)7-4-2-1-3-6(7)
    8/h1-5,12H;
    CSFWPUWCSPOLJW-UHFFFAOYSA-N    		 OC1=CC(=O)c2ccccc2C1=O; O=C2c1c(cccc1)C(
    =O)C(O)=C2; c1ccc2c(c1)C(=O)C=C(C2=O)O    		 2-HYDROXYNAPHTHOQUINONE;
    2-HYDROXY-1,4-NAPHTHOQUINONE
    30963
    NQ0    		 1 C18 H23 Cl2 N3 O2 InChI=1S/C18H23Cl2N3O2/c1
    9-11-16(24)21-12-13-5-9-2
    3(10-6-13)17(25)18(7-8-18
    )22-15-3-1-14(20)2-4-15/h
    1-4,13,22H,5-12H2,(H,21,2
    4);
    DHBSEKKUOIXZLH-UHFFFAOYSA-N    		 ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC2)Nc3ccc(C
    l)cc3; c1cc(ccc1NC2(CC2)C(=O)N3CCC(CC3)C
    NC(=O)CCl)Cl    		 2-chloranyl-N-[[1-[1-[(4-chlorophenyl)amino]cyclopropyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30964
    NQ1
    CHEMBL4520903    		 6 C20 H15 F N2 O InChI=1S/C20H15FN2O/c21-1
    5-10-11-18-19(12-15)23(13
    -14-6-2-1-3-7-14)20(24)16
    -8-4-5-9-17(16)22-18/h1-1
    2,22H,13H2;
    NKFCUHMOEKHJLB-UHFFFAOYSA-N    		 c1ccc(cc1)CN2c3cc(ccc3Nc4ccccc4C2=O)F; c
    32C(N(c1cc(F)ccc1Nc2cccc3)Cc4ccccc4)=O;
    Fc1ccc2Nc3ccccc3C(=O)N(Cc4ccccc4)c2c1    		 10-benzyl-8-fluoro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one
    30965
    NQ2
    CHEMBL4556087    		 1 C25 H35 N3 O6 S InChI=1S/C25H35N3O6S/c1-2
    5(2,29)20-5-7-28(8-6-20)9
    -10-34-23-13-17(11-19-15-
    33-16-21(19)23)18-12-22(2
    7-35(4,30)31)24(32-3)26-1
    4-18/h11-14,20,27,29H,5-1
    0,15-16H2,1-4H3;
    YTBODSVQSOILIJ-UHFFFAOYSA-N    		 COc1ncc(cc1N[S](C)(=O)=O)c2cc3COCc3c(OCC
    N4CCC(CC4)C(C)(C)O)c2; CC(C)(C1CCN(CC1)C
    COc2cc(cc3c2COC3)c4cc(c(nc4)OC)NS(=O)(=O
    )C)O    		 ~{N}-[2-methoxy-5-[7-[2-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]ethoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]methanesulfonamide
    30966
    NQ3    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c1-1
    1-5-6-17-10-14(11)19-8-7-
    18(15(19)20)13-4-2-3-12(1
    6)9-13/h2-10H,1H3;
    NCRWUWJGTHEGCI-UHFFFAOYSA-N    		 Cc1ccncc1N2C=CN(c3cccc(Cl)c3)C2=O; Cc1cc
    ncc1N2C=CN(C2=O)c3cccc(c3)Cl; Clc1cccc(c
    1)N1C=CN(c2cnccc2C)C1=O    		 (1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one
    30967
    NQ4    		 1 C9 H16 N3 O12 P3 InChI=1S/C9H16N3O12P3/c10
    -7-3-4-12(9(13)11-7)8-2-1
    -6(22-8)5-21-26(17,18)24-
    27(19,20)23-25(14,15)16/h
    3-4,6,8H,1-2,5H2,(H,17,18
    )(H,19,20)(H2,10,11,13)(H
    2,14,15,16)/t6-,8+/m1/s1;
    ARLKCWCREKRROD-SVRRBLITSA-N    		 NC1=NC(=O)N(C=C1)[C@@H]2CC[C@H](CO[P](O)
    (=O)O[P](O)(=O)O[P](O)(O)=O)O2; C1CC(OC1
    COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=CC(=NC
    2=O)N; C1C[C@H](O[C@H]1COP(=O)(O)OP(=O)(
    O)OP(=O)(O)O)N2C=CC(=NC2=O)N; NC1=NC(=O)
    N(C=C1)[CH]2CC[CH](CO[P](O)(=O)O[P](O)(=
    O)O[P](O)(O)=O)O2    		 [[(2~{R},5~{S})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    30968
    NQ5
    CHEMBL4579923    		 1 C25 H33 N3 O8 S InChI=1S/C25H33N3O8S/c1-3
    1-5-6-37(29,30)27-23-8-18
    (10-26-25(23)32-2)17-7-19
    -12-33-16-22(19)24(9-17)3
    6-15-21-11-28(3-4-35-21)2
    0-13-34-14-20/h7-10,20-21
    ,27H,3-6,11-16H2,1-2H3/t2
    1-/m1/s1;
    ZWPJBXLFZFLGMV-OAQYLSRUSA-N    		 COCC[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(
    OC[C@H]4CN(CCO4)C5COC5)c2; COCCS(=O)(=O)
    Nc1cc(cnc1OC)c2cc3c(c(c2)OC[C@H]4CN(CCO4
    )C5COC5)COC3; COCCS(=O)(=O)Nc1cc(cnc1OC)
    c2cc3c(c(c2)OCC4CN(CCO4)C5COC5)COC3; COC
    C[S](=O)(=O)Nc1cc(cnc1OC)c2cc3COCc3c(OC[
    CH]4CN(CCO4)C5COC5)c2    		 2-methoxy-~{N}-[2-methoxy-5-[7-[[(2~{R})-4-(oxetan-3-yl)morpholin-2-yl]methoxy]-1,3-dihydro-2-benzofuran-5-yl]pyridin-3-yl]ethanesulfonamide
    30969
    NQ6    		 2 C9 H11 N3 O3 InChI=1S/C9H11N3O3/c10-6(
    9(14)15)5-8(13)12-7-3-1-2
    -4-11-7/h1-4,6H,5,10H2,(H
    ,14,15)(H,11,12,13)/t6-/m
    0/s1;
    HEYRGJOINQMKAJ-LURJTMIESA-N    		 N[CH](CC(=O)Nc1ccccn1)C(O)=O; c1ccnc(c1)
    NC(=O)CC(C(=O)O)N; c1ccnc(c1)NC(=O)C[C@@
    H](C(=O)O)N; O=C(Nc1ccccn1)CC(N)C(=O)O;
    N[C@@H](CC(=O)Nc1ccccn1)C(O)=O    		 N-(pyridin-2-yl)-L-asparagine
    30970
    NQ7    		 4 C13 H13 N3 O2 InChI=1S/C13H13N3O2/c1-7(
    11-12(17)16-13(14)18-11)9
    -6-15-10-5-3-2-4-8(9)10/h
    2-7,11,15H,1H3,(H2,14,16,
    17)/t7-,11+/m1/s1;
    JMQXZRUQJGJVSC-HQJQHLMTSA-N    		 C[C@H](c1c[nH]c2c1cccc2)[C@H]3C(=O)N=C(O
    3)N; C[CH]([CH]1OC(=NC1=O)N)c2c[nH]c3ccc
    cc23; c2cccc3ncc(C(C)C1C(=O)N=C(O1)N)c23
    ; C[C@@H]([C@@H]1OC(=NC1=O)N)c2c[nH]c3cc
    ccc23; CC(c1c[nH]c2c1cccc2)C3C(=O)N=C(O3
    )N    		 (5S)-2-amino-5-[(1R)-1-(1H-indol-3-yl)ethyl]-1,3-oxazol-4(5H)-one
    30971
    NQ8
    ZINC000004721039    		 2 C19 H30 O InChI=1S/C19H30O/c1-18-9-
    3-4-16(18)15-6-5-13-12-14
    (20)7-11-19(13,2)17(15)8-
    10-18/h13,15-17H,3-12H2,1
    -2H3/t13-,15-,16-,17-,18-
    ,19-/m0/s1;
    VMNRNUNYBVFVQI-QYXZOKGRSA-N    		 C[C@@]12CCC[C@H]1[C@@H]3CC[C@H]4CC(=O)CC
    [C@@]4([C@H]3CC2)C; C[C]12CCC[CH]1[CH]3C
    C[CH]4CC(=O)CC[C]4(C)[CH]3CC2; CC12CCCC1
    C3CCC4CC(=O)CCC4(C3CC2)C; C[C@@]12CCC[C@
    H]1[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3
    CC2    		 (5~{S},8~{S},9~{S},10~{S},13~{S},14~{S})-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    30972
    NQ9    		 1 C21 H29 Cl2 N3 O3 InChI=1S/C21H29Cl2N3O3/c2
    2-13-19(27)25-14-15-7-11-
    26(12-8-15)20(28)21(9-5-1
    7(24)6-10-21)29-18-3-1-16
    (23)2-4-18/h1-4,15,17H,5-
    14,24H2,(H,25,27)/t17-,21
    +;
    KWPFQQCLIJGRNM-UEDWGHLCSA-N    		 N[CH]1CC[C](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC
    [CH](CC3)CNC(=O)CCl; c1cc(ccc1OC2(CCC(CC
    2)N)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl; N[C@H]
    1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)N3CC[C@@
    H](CC3)CNC(=O)CCl    		 N-[[1-[4-azanyl-1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    30973
    NQB
    CHEMBL2031465
    ZINC000084651956    		 1 C24 H27 N5 O2 InChI=1S/C24H27N5O2/c1-16
    -3-4-17(23(30)26-18-5-6-1
    8)13-22(16)29-15-25-21-8-
    7-19(14-20(21)24(29)31)28
    -11-9-27(2)10-12-28/h3-4,
    7-8,13-15,18H,5-6,9-12H2,
    1-2H3,(H,26,30);
    ZMAZXHICVRYLQN-UHFFFAOYSA-N    		 CN1CCN(CC1)c2ccc3N=CN(C(=O)c3c2)c4cc(ccc
    4C)C(=O)NC5CC5; Cc1ccc(cc1N2C=Nc3ccc(cc3
    C2=O)N4CCN(CC4)C)C(=O)NC5CC5; O=C(NC1CC1
    )c2cc(c(cc2)C)N3C(=O)c4cc(ccc4N=C3)N5CCN
    (C)CC5    		 N-CYCLOPROPYL-4-METHYL-3-[6-(4-METHYLPIPERAZIN-1-YL)-4-OXIDANYLIDENE-QUINAZOLIN-3-YL]BENZAMIDE
    30974
    NQC    		 1 C25 H21 Cl N2 O5 InChI=1S/C25H21ClN2O5/c1-
    14-17(23(31)22-19(29)7-4-
    8-20(22)30)9-10-18-21(14)
    24(32)28(25(33)27(18)2)12
    -11-15-5-3-6-16(26)13-15/
    h3-7,9-10,13,29H,8,11-12H
    2,1-2H3;
    VETBCFZZZDFSIR-UHFFFAOYSA-N    		 Cc1c(ccc2c1C(=O)N(C(=O)N2C)CCc3cccc(c3)C
    l)C(=O)C4=C(C=CCC4=O)O; CN1C(=O)N(CCc2cc
    cc(Cl)c2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)
    C=CCC4=O    		 3-[2-(3-chlorophenyl)ethyl]-1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexa-1,3-dien-1-yl)carbonyl-quinazoline-2,4-dione
    30975
    NQD
    ZINC000238752930    		 4 C27 H38 O4 InChI=1S/C27H38O4/c1-19(1
    1-7-13-21(3)26(29)30)9-6-
    10-20(2)12-8-15-27(5)16-1
    4-23-18-24(28)17-22(4)25(
    23)31-27/h9,12-13,17-18,2
    8H,6-8,10-11,14-16H2,1-5H
    3,(H,29,30)/b19-9+,20-12+
    ,21-13-/t27-/m1/s1;
    QOFWRHWADNWKSU-HGPKLCRWSA-N    		 C\C(CC\C=C(\C)C(O)=O)=C/CC\C(C)=C\CC[C@]
    1(C)CCc2cc(O)cc(C)c2O1; C(C\C(=C\CCC2(C)
    CCc1cc(cc(c1O2)C)O)C)[C@H]=C(C)CC\C=C(/C
    (=O)O)C; Cc1cc(cc2c1O[C@](CC2)(C)CC/C=C(
    \C)/CC/C=C(\C)/CC/C=C(/C)\C(=O)O)O; CC(C
    CC=C(C)C(O)=O)=CCCC(C)=CCC[C]1(C)CCc2cc(
    O)cc(C)c2O1; Cc1cc(cc2c1OC(CC2)(C)CCC=C(
    C)CCC=C(C)CCC=C(C)C(=O)O)O    		 (2Z,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydro-2H-1-benzopyran-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienoic acid;
    garcinoic acid
    30976
    NQE
    CHEMBL4471490
    ZINC000075094274    		 1 C15 H13 N5 O InChI=1S/C15H13N5O/c1-19-
    12-6-5-11(8-13(12)20(2)15
    (19)21)18-14-10(9-16)4-3-
    7-17-14/h3-8H,1-2H3,(H,17
    ,18);
    PLONIHFWCNPQPN-UHFFFAOYSA-N    		 CN1c2ccc(cc2N(C1=O)C)Nc3c(cccn3)C#N; CN1
    C(=O)N(C)c2cc(Nc3ncccc3C#N)ccc12    		 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30977
    NQF
    CHEMBL5221942    		 8 C23 H24 N4 O3 InChI=1S/C23H24N4O3/c1-14
    -17-5-3-4-6-19(17)30-20(1
    4)13-27(2)21(28)10-7-15-1
    1-16-8-9-18(24)23(29)26-2
    2(16)25-12-15/h3-7,10-12,
    18H,8-9,13,24H2,1-2H3,(H,
    25,26,29)/b10-7+/t18-/m1/
    s1;
    ZWQNEFFHBSGFHV-RUJXFNLJSA-N    		 NC1CCc2cc(cnc2NC1=O)/C=C/C(=O)N(C)Cc1oc2
    ccccc2c1C; CN(Cc1oc2ccccc2c1C)C(=O)C=Cc3
    cnc4NC(=O)[CH](N)CCc4c3; Cc1c2ccccc2oc1C
    N(C)C(=O)/C=C/c3cc4c(nc3)NC(=O)[C@@H](CC
    4)N; CN(Cc1oc2ccccc2c1C)C(=O)\C=C\c3cnc4
    NC(=O)[C@H](N)CCc4c3; Cc1c2ccccc2oc1CN(C
    )C(=O)C=Cc3cc4c(nc3)NC(=O)C(CC4)N    		 (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide
    30978
    NQG
    ZINC000016052252    		 1 C28 H39 N9 O7 InChI=1S/C28H39N9O7/c1-2-
    44-23(39)14-22(38)27(43)3
    6-19(9-5-11-29)25(41)35-2
    0(10-6-12-33-28(31)32)26(
    42)37-21(24(30)40)13-16-1
    5-34-18-8-4-3-7-17(16)18/
    h3-4,7-8,15,19-22,34,38H,
    2,5-6,9-10,12-14H2,1H3,(H
    2,30,40)(H,35,41)(H,36,43
    )(H,37,42)(H4,31,32,33)/t
    19-,20-,21-,22-/m0/s1;
    QRCIRXHNWBRPBN-CMOCDZPBSA-N    		 O=C(OCC)CC(O)C(=O)NC(C(=O)NC(C(=O)NC(C(=
    O)N)Cc2c1ccccc1nc2)CCCNC(=[N@H])N)CCC#N;
    [H]/N=C(/N)\NCCC[C@@H](C(=O)N[C@@H](Cc1
    c[nH]c2c1cccc2)C(=O)N)NC(=O)[C@H](CCC#N)
    NC(=O)[C@H](CC(=O)OCC)O; CCOC(=O)C[CH](O
    )C(=O)N[CH](CCC#N)C(=O)N[CH](CCCNC(N)=N)
    C(=O)N[CH](Cc1c[nH]c2ccccc12)C(N)=O; CCO
    C(=O)C[C@H](O)C(=O)N[C@@H](CCC#N)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(C
    c1c[nH]c2c1cccc2)C(=O)N)NC(=O)C(CCC#N)NC
    (=O)C(CC(=O)OCC)O    		 5-AZANYLIDYNE-N-[(2S)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]-L-NORVALYL-L-ARGINYL-L-TRYPTOPHANAMIDE
    30979
    NQH
    CHEMBL4464160    		 1 C10 H10 Cl N3 InChI=1S/C10H10ClN3/c11-1
    0-8(5-12)9(3-4-13-10)14-6
    -7-1-2-7/h3-4,7H,1-2,6H2,
    (H,13,14);
    NLBNRXHKCJFZBY-UHFFFAOYSA-N    		 c1cnc(c(c1NCC2CC2)C#N)Cl; Clc1nccc(NCC2C
    C2)c1C#N    		 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile
    30980
    NQI
    ZINC000016052253    		 1 C28 H40 N8 O7 InChI=1S/C28H40N8O7/c1-3-
    8-19(35-27(42)22(37)14-23
    (38)43-4-2)25(40)34-20(11
    -7-12-32-28(30)31)26(41)3
    6-21(24(29)39)13-16-15-33
    -18-10-6-5-9-17(16)18/h3,
    5-6,9-10,15,19-22,33,37H,
    1,4,7-8,11-14H2,2H3,(H2,2
    9,39)(H,34,40)(H,35,42)(H
    ,36,41)(H4,30,31,32)/t19-
    ,20-,21-,22+/m0/s1;
    ZPQHLTRUUXVSLS-MYGLTJDJSA-N    		 CCOC(=O)C[CH](O)C(=O)N[CH](CC=C)C(=O)N[C
    H](CCCNC(N)=N)C(=O)N[CH](Cc1c[nH]c2ccccc
    12)C(N)=O; [H]N=C(N)NCCCC(C(=O)NC(Cc1c[n
    H]c2c1cccc2)C(=O)N)NC(=O)C(CC=C)NC(=O)C(
    CC(=O)OCC)O; [H]/N=C(\N)/NCCC[C@@H](C(=O
    )N[C@@H](Cc1c[nH]c2c1cccc2)C(=O)N)NC(=O)
    [C@H](CC=C)NC(=O)[C@@H](CC(=O)OCC)O; CCO
    C(=O)C[C@@H](O)C(=O)N[C@@H](CC=C)C(=O)N[
    C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1c[nH]c2
    ccccc12)C(N)=O; O=C(OCC)CC(O)C(=O)NC(C(=
    O)NC(C(=O)NC(C(=O)N)Cc2c1ccccc1nc2)CCCNC
    (=[N@H])N)C\C=C    		 N~2~-[(2S)-2-{[(2R)-4-ETHOXY-2-HYDROXY-4-OXOBUTANOYL]AMINO}PENT-4-ENOYL]-L-ARGINYL-L-TRYPTOPHANAMIDE
    30981
    NQJ
    CHEMBL4560286    		 1 C23 H20 Cl F3 N2 O5 S2 InChI=1S/C23H20ClF3N2O5S2
    /c1-13-10-19(20(30)28-18(
    21(31)34-2)11-14-6-4-3-5-
    7-14)35-22(13)36(32,33)29
    -17-12-15(23(25,26)27)8-9
    -16(17)24/h3-10,12,18,29H
    ,11H2,1-2H3,(H,28,30)/t18
    -/m1/s1;
    YYXGZAWTALWJLJ-GOSISDBHSA-N    		 Cc1cc(sc1S(=O)(=O)Nc2cc(ccc2Cl)C(F)(F)F)
    C(=O)N[C@H](Cc3ccccc3)C(=O)OC; COC(=O)[C
    H](Cc1ccccc1)NC(=O)c2sc(c(C)c2)[S](=O)(=
    O)Nc3cc(ccc3Cl)C(F)(F)F; COC(C(Cc1ccccc1
    )NC(c3cc(C)c(S(Nc2c(ccc(c2)C(F)(F)F)Cl)(
    =O)=O)s3)=O)=O; Cc1cc(sc1S(=O)(=O)Nc2cc(
    ccc2Cl)C(F)(F)F)C(=O)NC(Cc3ccccc3)C(=O)O
    C; COC(=O)[C@@H](Cc1ccccc1)NC(=O)c2sc(c(
    C)c2)[S](=O)(=O)Nc3cc(ccc3Cl)C(F)(F)F    		 methyl N-(5-{[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl}-4-methylthiophene-2-carbonyl)-D-phenylalaninate
    30982
    NQK
    CHEMBL4542555    		 1 C15 H12 Cl N5 O InChI=1S/C15H12ClN5O/c1-2
    0-12-4-3-9(7-13(12)21(2)1
    5(20)22)19-11-5-6-18-14(1
    6)10(11)8-17/h3-7H,1-2H3,
    (H,18,19);
    OTSZAULBNXSOMT-UHFFFAOYSA-N    		 CN1C(=O)N(C)c2cc(Nc3ccnc(Cl)c3C#N)ccc12;
    CN1c2ccc(cc2N(C1=O)C)Nc3ccnc(c3C#N)Cl    		 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile
    30983
    NQL    		 1 C20 H29 Cl N4 O2 InChI=1S/C20H29ClN4O2/c21
    -14-18(26)23-15-16-6-12-2
    5(13-7-16)19(27)20(8-10-2
    2-11-9-20)24-17-4-2-1-3-5
    -17/h1-5,16,22,24H,6-15H2
    ,(H,23,26);
    XANXFUXIXRLBSI-UHFFFAOYSA-N    		 c1ccc(cc1)NC2(CCNCC2)C(=O)N3CCC(CC3)CNC(
    =O)CCl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCNC
    C2)Nc3ccccc3    		 2-chloranyl-N-[[1-(4-phenylazanylpiperidin-4-yl)carbonylpiperidin-4-yl]methyl]ethanamide
    30984
    NQM    		 4 C7 H6 O7 InChI=1S/C7H6O7/c8-4(7(13
    )14)1-3(6(11)12)2-5(9)10/
    h2H,1H2,(H,9,10)(H,11,12)
    (H,13,14)/b3-2+;
    ODTDYYZJDQGKQT-NSCUHMNNSA-N    		 OC(=O)C=C(CC(=O)C(O)=O)C(O)=O; O=C(C(CC(
    =C/C(O)=O)\C(O)=O)=O)O; C(/C(=C\C(=O)O)/
    C(=O)O)C(=O)C(=O)O; C(C(=CC(=O)O)C(=O)O)
    C(=O)C(=O)O; OC(=O)\C=C(CC(=O)C(O)=O)\C(
    O)=O    		 (1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid
    30985
    NQN
    CHEMBL4550751    		 1 C18 H18 Cl N5 O2 InChI=1S/C18H18ClN5O2/c1-
    11(25)6-8-24-16-9-12(3-4-
    15(16)23(2)18(24)26)22-14
    -5-7-21-17(19)13(14)10-20
    /h3-5,7,9,11,25H,6,8H2,1-
    2H3,(H,21,22)/t11-/m1/s1;
    YEBUIPXITBJLFQ-LLVKDONJSA-N    		 CC(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#N)C
    l)O; C[CH](O)CCN1C(=O)N(C)c2ccc(Nc3ccnc(
    Cl)c3C#N)cc12; C[C@H](CCN1c2cc(ccc2N(C1=
    O)C)Nc3ccnc(c3C#N)Cl)O; C[C@@H](O)CCN1C(
    =O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12    		 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30986
    NQO    		 1 C13 H12 Cl N3 O InChI=1S/C13H12ClN3O/c1-9
    -5-6-15-17-13(9)16-12(18)
    8-10-3-2-4-11(14)7-10/h2-
    7H,8H2,1H3,(H,16,17,18);
    ZNGNXXLXHHJCCJ-UHFFFAOYSA-N    		 Cc1ccnnc1NC(=O)Cc2cccc(Cl)c2; Cc1ccnnc1N
    C(=O)Cc2cccc(c2)Cl; Cc1ccnnc1NC(=O)Cc1cc
    cc(Cl)c1    		 2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide
    30987
    NQP
    CHEMBL4474288    		 2 C31 H42 N6 O4 InChI=1S/C31H42N6O4/c1-5-
    6-15-36-26-9-10-28(34-29(
    26)37(21(2)31(36)39)24-13
    -18-41-19-14-24)33-25-8-7
    -22(20-27(25)40-4)30(38)3
    2-23-11-16-35(3)17-12-23/
    h5,7-10,20-21,23-24H,1,6,
    11-19H2,2-4H3,(H,32,38)(H
    ,33,34)/t21-/m1/s1;
    YEZKKIMJJAQTOO-OAQYLSRUSA-N    		 CC1C(=O)N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4
    OC)C(=O)NC5CCN(CC5)C)CCC=C; C[C@@H]1C(=O
    )N(c2ccc(nc2N1C3CCOCC3)Nc4ccc(cc4OC)C(=O
    )NC5CCN(CC5)C)CCC=C; [C@H](=C)CCN5c3ccc(
    Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC)nc3N(C4CC
    OCC4)C(C5=O)C; COc1cc(ccc1Nc2ccc3N(CCC=C
    )C(=O)[CH](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN
    (C)CC5; COc1cc(ccc1Nc2ccc3N(CCC=C)C(=O)[
    C@@H](C)N(C4CCOCC4)c3n2)C(=O)NC5CCN(C)CC
    5    		 4-{[(3R)-1-(but-3-en-1-yl)-3-methyl-4-(oxan-4-yl)-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
    30988
    NQQ
    CHEMBL4572689    		 1 C19 H20 Cl N5 O2 InChI=1S/C19H20ClN5O2/c1-
    19(2,27)7-9-25-16-10-12(4
    -5-15(16)24(3)18(25)26)23
    -14-6-8-22-17(20)13(14)11
    -21/h4-6,8,10,27H,7,9H2,1
    -3H3,(H,22,23);
    MSNMXJGUICGVME-UHFFFAOYSA-N    		 CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3ccnc(c3C#
    N)Cl)O; CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3ccn
    c(Cl)c3C#N)ccc12    		 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile
    30989
    NQR
    ZINC000004902118    		 1 C18 H18 N2 O2 InChI=1S/C18H18N2O2/c1-12
    -14-11-16(18(21)20-9-5-2-
    6-10-20)22-17(14)13-7-3-4
    -8-15(13)19-12/h3-4,7-8,1
    1H,2,5-6,9-10H2,1H3;
    CKBASHMUSIQRHS-UHFFFAOYSA-N    		 Cc1nc2ccccc2c2oc(cc12)C(=O)N1CCCCC1; Cc1
    c2cc(oc2c3ccccc3n1)C(=O)N4CCCCC4; Cc1nc2
    ccccc2c3oc(cc13)C(=O)N4CCCCC4    		 (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone
    30990
    NQS
    CHEMBL4475735
    ZINC000001729754    		 2 C12 H10 O3 S InChI=1S/C12H10O3S/c13-5-
    6-16-11-7-10(14)8-3-1-2-4
    -9(8)12(11)15/h1-4,7,13H,
    5-6H2;
    IBLOZMPODBITIK-UHFFFAOYSA-N    		 O=C2c1c(cccc1)C(=O)C(SCCO)=C2; c1ccc2c(c
    1)C(=O)C=C(C2=O)SCCO; OCCSC1=CC(=O)c2ccc
    cc2C1=O    		 2-[(2-hydroxyethyl)sulfanyl]naphthalene-1,4-dione
    30991
    NQT
    CHEMBL4451702    		 1 C22 H26 Cl N7 O2 InChI=1S/C22H26ClN7O2/c1-
    13-10-14(2)30(27-13)20-24
    -12-16(23)19(26-20)25-15-
    6-7-17-18(11-15)29(21(31)
    28(17)5)9-8-22(3,4)32/h6-
    7,10-12,32H,8-9H2,1-5H3,(
    H,24,25,26);
    UQSUWLFWPLYJIQ-UHFFFAOYSA-N    		 CN1C(=O)N(CCC(C)(C)O)c2cc(Nc3nc(ncc3Cl)n
    4nc(C)cc4C)ccc12; Cc1cc(n(n1)c2ncc(c(n2)
    Nc3ccc4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl)C    		 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30992
    NQU    		 1 C21 H28 Cl2 N2 O3 InChI=1S/C21H28Cl2N2O3/c2
    2-14-19(26)24-15-16-8-12-
    25(13-9-16)20(27)21(10-2-
    1-3-11-21)28-18-6-4-17(23
    )5-7-18/h4-7,16H,1-3,8-15
    H2,(H,24,26);
    DPPVFRFCFQIPRQ-UHFFFAOYSA-N    		 c1cc(ccc1OC2(CCCCC2)C(=O)N3CCC(CC3)CNC(=
    O)CCl)Cl; ClCC(=O)NCC1CCN(CC1)C(=O)C2(CC
    CCC2)Oc3ccc(Cl)cc3    		 2-chloranyl-N-[[1-[1-(4-chloranylphenoxy)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide
    30993
    NQV
    CHEMBL4539891    		 1 C30 H42 N6 O3 InChI=1S/C30H42N6O3/c1-19
    (2)39-26-18-21(29(37)31-2
    2-14-16-34(4)17-15-22)10-
    11-24(26)32-27-13-12-25-2
    8(33-27)36(23-8-6-7-9-23)
    20(3)30(38)35(25)5/h10-13
    ,18-20,22-23H,6-9,14-17H2
    ,1-5H3,(H,31,37)(H,32,33)
    /t20-/m1/s1;
    AGCMTUNUCHFYSQ-HXUWFJFHSA-N    		 CC(C)Oc1cc(ccc1Nc2ccc3N(C)C(=O)[C@@H](C)
    N(C4CCCC4)c3n2)C(=O)NC5CCN(C)CC5; C[C@@H
    ]1C(=O)N(c2ccc(nc2N1C3CCCC3)Nc4ccc(cc4OC
    (C)C)C(=O)NC5CCN(CC5)C)C; CC1C(=O)N(c2cc
    c(nc2N1C3CCCC3)Nc4ccc(cc4OC(C)C)C(=O)NC5
    CCN(CC5)C)C; CC(C)Oc1cc(ccc1Nc2ccc3N(C)C
    (=O)[CH](C)N(C4CCCC4)c3n2)C(=O)NC5CCN(C)
    CC5; c3cc(Nc2ccc(C(NC1CCN(C)CC1)=O)cc2OC
    (C)C)nc4c3N(C)C(C(N4C5CCCC5)C)=O    		 4-{[(3R)-4-cyclopentyl-1,3-dimethyl-2-oxo-1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-6-yl]amino}-N-(1-methylpiperidin-4-yl)-3-[(propan-2-yl)oxy]benzamide
    30994
    NQW
    CHEMBL4476234    		 1 C23 H31 Cl N6 O3 InChI=1S/C23H31ClN6O3/c1-
    14-12-29(13-15(2)33-14)21
    -25-11-17(24)20(27-21)26-
    16-6-7-18-19(10-16)30(22(
    31)28(18)5)9-8-23(3,4)32/
    h6-7,10-11,14-15,32H,8-9,
    12-13H2,1-5H3,(H,25,26,27
    )/t14-,15+;
    JPAZTMKUVSFPAZ-GASCZTMLSA-N    		 C[C@@H]1CN(C[C@@H](O1)C)c2ncc(c(n2)Nc3cc
    c4c(c3)N(C(=O)N4C)CCC(C)(C)O)Cl; CC1CN(C
    C(O1)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C
    )CCC(C)(C)O)Cl; C[CH]1CN(C[CH](C)O1)c2nc
    c(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3
    )n2; C[C@@H]1CN(C[C@H](C)O1)c2ncc(Cl)c(N
    c3ccc4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2    		 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30995
    NQX    		 1 C23 H28 N4 O5 InChI=1S/C23H28N4O5/c1-11
    -10-12(2)25-22(24-11)27-2
    1(31)18-13(3)14(8-9-15(18
    )26(4)23(27)32)20(30)19-1
    6(28)6-5-7-17(19)29/h8-10
    ,16-17,19-20,28-30H,5-7H2
    ,1-4H3/t16-,17-,20+/m1/s1;
    MLZUNIVRBBBYRG-HLIPFELVSA-N    		 CN1C(=O)N(C(=O)c2c(C)c(ccc12)[C@H](O)C3[
    C@H](O)CCC[C@H]3O)c4nc(C)cc(C)n4; Cc1cc(
    nc(n1)N2C(=O)c3c(c(ccc3N(C2=O)C)C(C4C(CC
    CC4O)O)O)C)C; Cc1cc(nc(n1)N2C(=O)c3c(c(c
    cc3N(C2=O)C)[C@@H](C4[C@@H](CCC[C@H]4O)O
    )O)C)C; CN1C(=O)N(C(=O)c2c(C)c(ccc12)[CH
    ](O)C3[CH](O)CCC[CH]3O)c4nc(C)cc(C)n4    		 6-[(R)-[(2R,6R)-2,6-bis(oxidanyl)cyclohexyl]-oxidanyl-methyl]-3-(4,6-dimethylpyrimidin-2-yl)-1,5-dimethyl-quinazoline-2,4-dione
    30996
    NQY
    CHEMBL4573352    		 1 C26 H34 N6 O3 InChI=1S/C26H34N6O3/c1-30
    -14-11-18(12-15-30)27-25(
    33)17-7-8-19(22(16-17)35-
    3)28-23-10-9-20-24(29-23)
    32-13-5-4-6-21(32)26(34)3
    1(20)2/h7-10,16,18,21H,4-
    6,11-15H2,1-3H3,(H,27,33)
    (H,28,29)/t21-/m1/s1;
    AVGGLPRMVXANOV-OAQYLSRUSA-N    		 CN1CCC(CC1)NC(=O)c2ccc(c(c2)OC)Nc3ccc4c(
    n3)N5CCCCC5C(=O)N4C; CN1CCC(CC1)NC(=O)c2
    ccc(c(c2)OC)Nc3ccc4c(n3)N5CCCC[C@@H]5C(=
    O)N4C; COc1cc(ccc1Nc2ccc3N(C)C(=O)[C@H]4
    CCCCN4c3n2)C(=O)NC5CCN(C)CC5; COc1cc(ccc
    1Nc2ccc3N(C)C(=O)[CH]4CCCCN4c3n2)C(=O)NC
    5CCN(C)CC5; c2c1N(C(=O)C5CCCCN5c1nc(c2)N
    c4c(cc(C(NC3CCN(CC3)C)=O)cc4)OC)C    		 3-methoxy-4-{[(6aR)-5-methyl-6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-2-yl]amino}-N-(1-methylpiperidin-4-yl)benzamide
    30997
    NQZ
    CHEMBL4445645    		 1 C24 H31 Cl F2 N6 O2 InChI=1S/C24H31ClF2N6O2/c
    1-14-12-32(13-15(2)24(14,
    26)27)21-28-11-17(25)20(3
    0-21)29-16-6-7-18-19(10-1
    6)33(22(34)31(18)5)9-8-23
    (3,4)35/h6-7,10-11,14-15,
    35H,8-9,12-13H2,1-5H3,(H,
    28,29,30)/t14-,15+;
    VFNPUAOAEFMXQI-GASCZTMLSA-N    		 C[CH]1CN(C[CH](C)C1(F)F)c2ncc(Cl)c(Nc3cc
    c4N(C)C(=O)N(CCC(C)(C)O)c4c3)n2; CC1CN(C
    C(C1(F)F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O
    )N4C)CCC(C)(C)O)Cl; C[C@@H]1CN(C[C@H](C)
    C1(F)F)c2ncc(Cl)c(Nc3ccc4N(C)C(=O)N(CCC(
    C)(C)O)c4c3)n2; C[C@@H]1CN(C[C@@H](C1(F)
    F)C)c2ncc(c(n2)Nc3ccc4c(c3)N(C(=O)N4C)CC
    C(C)(C)O)Cl    		 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one
    30998
    NR0    		 0 C13 H17 N7 O4 InChI=1S/C13H17N7O4/c14-7
    -3-24-4-8(7)20(2-10(22)23
    )9(21)1-19-6-18-11-12(15)
    16-5-17-13(11)19/h5-8H,1-
    4,14H2,(H,22,23)(H2,15,16
    ,17)/t7-,8-/m0/s1;
    NDSRPVXXSCHUPN-YUMQZZPRSA-N    		 c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)C3COCC
    3N)N; c1nc(c2c(n1)n(cn2)CC(=O)N(CC(=O)O)
    [C@H]3COC[C@@H]3N)N; N[CH]1COC[CH]1N(CC(
    O)=O)C(=O)Cn2cnc3c(N)ncnc23; N[C@H]1COC[
    C@@H]1N(CC(O)=O)C(=O)Cn2cnc3c(N)ncnc23;
    OC(=O)CN(C1COCC1N)C(=O)Cn1cnc2c(N)ncnc21    		 N-[(3R,4R)-4-aminooxolan-3-yl]-2-(6-amino-9H-purin-9-yl)-N-(2-oxoethyl)acetamide
    30999
    NR1    		 4 C5 H13 N O5 P InChI=1S/C5H12NO5P/c7-5-2
    -6-1-4(5)3-11-12(8,9)10/h
    4-7H,1-3H2,(H2,8,9,10)/p+
    1/t4-,5+/m1/s1;
    DZBMWXHITVAZTC-UHNVWZDZSA-O    		 P(O)(O)(=O)OCC1C(C[NH2+]C1)O; O[CH]1C[NH
    2+]C[CH]1CO[P](O)(O)=O; C1C(C(C[NH2+]1)O
    )COP(=O)(O)O; C1[C@@H]([C@H](C[NH2+]1)O)
    COP(=O)(O)O; O[C@H]1C[NH2+]C[C@@H]1CO[P]
    (O)(O)=O    		 (3R,4R)-3-hydroxy-4-[(phosphonooxy)methyl]pyrrolidinium
    31000
    NR2
    CHEMBL78755
    DB08301
    ZINC000026474822    		 2 C14 H15 N3 O5 S2 InChI=1S/C14H15N3O5S2/c1-
    10-2-6-13(7-3-10)24(21,22
    )17-14(18)16-11-4-8-12(9-
    5-11)23(15,19)20/h2-9H,1H
    3,(H2,15,19,20)(H2,16,17,
    18);
    HDCXQTPVTAIPNZ-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)C)NC(=O)Nc2ccc(cc2)S(=
    O)(=O)N; Cc1ccc(cc1)[S](=O)(=O)NC(=O)Nc2
    ccc(cc2)[S](N)(=O)=O; Cc1ccc(cc1)S(=O)(=
    O)NC(=O)Nc2ccc(cc2)S(=O)(=O)N    		 N-({[4-(AMINOSULFONYL)PHENYL]AMINO}CARBONYL)-4-METHYLBENZENESULFONAMIDE
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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