Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • 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 ";".

    • << < 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 > >>
    Go to page
    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    30401
    NAA
    DB03109
    ZINC000005883957    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    +,8-/m1/s1;
    OVRNDRQMDRJTHS-UIAUGNHASA-N    		 CC(=O)N[C@@H]1[C@@H]([C@@H]([C@H](O[C@H]
    1O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[
    CH](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H
    ](CO)[C@@H](O)[C@H]1O; O=C(NC1C(O)C(O)C(
    OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-allopyranose;
    N-acetyl-beta-D-allosamine;
    2-acetamido-2-deoxy-beta-D-allose;
    2-acetamido-2-deoxy-D-allose;
    2-acetamido-2-deoxy-allose;
    N-ACETYL-D-ALLOSAMINE
    30402
    NAB
    DB08252
    ZINC000004954387    		 2 C17 H12 N2 O3 InChI=1S/C17H12N2O3/c20-1
    6-10-9-15(11-5-1-2-6-12(1
    1)16)19-18-14-8-4-3-7-13(
    14)17(21)22/h1-10,20H,(H,
    21,22)/b19-18+;
    SXAUIPSOPPASFY-VHEBQXMUSA-N    		 OC(=O)c1ccccc1N=Nc2ccc(O)c3ccccc23; O=C(
    O)c3ccccc3/N=N/c2c1ccccc1c(O)cc2; c1ccc2
    c(c1)c(ccc2O)N=Nc3ccccc3C(=O)O; c1ccc2c(
    c1)c(ccc2O)/N=N/c3ccccc3C(=O)O    		 2-((4'-HYDROXYNAPHTHYL)-AZO)BENZOIC ACID
    30403
    NAC    		 0 C22 H28 N6 O14 P2 InChI=1/C22H28N6O14P2/c1-
    10(29)11-3-2-4-27(5-11)21
    -17(32)15(30)12(40-21)6-3
    8-43(34,35)42-44(36,37)39
    -7-13-16(31)18(33)22(41-1
    3)28-9-26-14-19(23)24-8-2
    5-20(14)28/h2-5,8-9,12-13
    ,15-18,21-22,30-33H,6-7H2
    ,1H3,(H3-,23,24,25,34,35,
    36,37)/t12-,13-,15-,16-,1
    7-,18-,21-,22-/m1/s1/f/h3
    6H,23H2;
    KPVQNXLUPNWQHM-XEBFETGLDF    		 CC(=O)c1ccc[n+](c1)C2C(C(C(O2)COP(=O)([O
    -])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)
    O)O)O)O; CC(=O)c1ccc[n+](c1)[C@H]2[C@@H]
    ([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O; CC(=O)c1ccc[n+](c1)
    [CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[
    CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45
    )[CH](O)[CH]2O; CC(=O)c1ccc[n+](c1)[C@@H
    ]2O[C@H](CO[P]([O-])(=O)O[P@@](O)(=O)OC[
    C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)n
    cnc45)[C@@H](O)[C@H]2O    		 3-ACETYL PYRIDINE ADENINE DINUCLEOTIDE
    30404
    NAD
    CHEMBL1234613
    DB14128    		 6559 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1-4,7-8,10-1
    1,13-16,20-21,29-32H,5-6H
    2,(H5-,22,23,24,25,33,34,
    35,36,37)/t10-,11-,13-,14
    -,15-,16-,20-,21-/m1/s1;
    BAWFJGJZGIEFAR-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(
    [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O)C(=O)N    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    30405
    NAE
    DB02732    		 9 C24 H31 N7 O15 P2 InChI=1S/C24H31N7O15P2/c1
    -10(32)4-11-2-3-30(5-12(1
    1)21(26)37)23-18(35)16(33
    )13(44-23)6-42-47(38,39)4
    6-48(40,41)43-7-14-17(34)
    19(36)24(45-14)31-9-29-15
    -20(25)27-8-28-22(15)31/h
    2-3,5,8-9,13-14,16-19,23-
    24,33-36H,4,6-7H2,1H3,(H5
    -,25,26,27,28,37,38,39,40
    ,41)/t13-,14-,16-,17-,18-
    ,19-,23-,24-/m1/s1;
    SGHBFOOIAAJJMI-YDKVLQLQSA-N    		 CC(=O)Cc1cc[n+](cc1C(=O)N)C2C(C(C(O2)COP
    (=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4
    ncnc5N)O)O)O)O; CC(=O)Cc1cc[n+](cc1C(=O)
    N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=
    O)([O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H
    ]([C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; CC(=
    O)Cc1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([
    O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[
    CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC
    (=O)Cc1cc[n+](cc1C(N)=O)[C@@H]2O[C@H](CO
    [P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H](
    [C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H]
    (O)[C@H]2O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE ACETONE ADDUCT
    30406
    NAF
    DB03359
    ZINC000003873189    		 3 C11 H15 F3 N O2 InChI=1S/C11H15F3NO2/c1-1
    5(2,3)9-6-4-5-8(7-9)10(16
    ,17)11(12,13)14/h4-7,16-1
    7H,1-3H3/q+1;
    KGVDBJQLTHWAJF-UHFFFAOYSA-N    		 C[N+](C)(C)c1cccc(c1)C(C(F)(F)F)(O)O; C[
    N+](C)(C)c1cccc(c1)C(O)(O)C(F)(F)F; FC(F
    )(F)C(O)(O)c1cc(ccc1)[N+](C)(C)C    		 M-(N,N,N-TRIMETHYLAMMONIO)-2,2,2-TRIFLUORO-1,1-DIHYDROXYETHYLBENZENE
    30407
    NAG
    CHEMBL447878
    ZINC000003983907    		 75 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8-/m1/s1;
    OVRNDRQMDRJTHS-FMDGEEDCSA-N    		 CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1
    O)CO)O)O; CC(=O)N[CH]1[CH](O)O[CH](CO)[C
    H](O)[CH]1O; CC(=O)N[C@H]1[C@H](O)O[C@H]
    (CO)[C@@H](O)[C@@H]1O; O=C(NC1C(O)C(O)C(
    OC1O)CO)C; CC(=O)NC1C(C(C(OC1O)CO)O)O    		 2-acetamido-2-deoxy-beta-D-glucopyranose;
    N-acetyl-beta-D-glucosamine;
    2-acetamido-2-deoxy-beta-D-glucose;
    2-acetamido-2-deoxy-D-glucose;
    2-acetamido-2-deoxy-glucose;
    N-ACETYL-D-GLUCOSAMINE
    30408
    NAH    		 0 C21 H27 N7 O14 P2 InChI=1/C21H27N7O14P2/c22
    -17-12-19(25-7-24-17)28(8
    -26-12)21-16(32)14(30)11(
    41-21)6-39-44(36,37)42-43
    (34,35)38-5-10-13(29)15(3
    1)20(40-10)27-3-1-2-9(4-2
    7)18(23)33/h1-4,7-8,10-11
    ,13-16,20-21,29-32H,5-6H2
    ,(H5-,22,23,24,25,33,34,3
    5,36,37)/t10-,11-,13-,14-
    ,15-,16-,20-,21-/m1/s1/f/
    h36H,22-23H2;
    BAWFJGJZGIEFAR-GLKVDMMMDQ    		 NC(=O)c1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([
    O-])(=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H]
    (O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C
    @H]2O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(
    [O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5
    N)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1cc(c[n+](c1)[C@H]2[C@@H](
    [C@@H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)O)C(=O)N    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    30409
    NAI
    CHEMBL1234616
    DB00157
    ZINC000008215403    		 1242 C21 H29 N7 O14 P2 InChI=1S/C21H29N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1,3-4,7-8,10
    -11,13-16,20-21,29-32H,2,
    5-6H2,(H2,23,33)(H,34,35)
    (H,36,37)(H2,22,24,25)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    BOPGDPNILDQYTO-NNYOXOHSSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O
    P(=O)(O)OCC4C(C(C(O4)N5C=CCC(=C5)C(=O)N)
    O)O)O)O)N; NC(=O)C1=CN(C=CC1)[C@@H]2O[C@
    H](CO[P@@](O)(=O)O[P@](O)(=O)OC[C@H]3O[C
    @H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)[C
    @@H](O)[C@H]2O; 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=CCC(=C5)C(=O)N)O)O)O)O)N; NC(=O)C1=C
    N(C=CC1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)n
    cnc45)[CH](O)[CH]2O    		 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE;
    NADH
    30410
    NAJ
    CHEMBL1234613
    DB14128    		 96 C21 H27 N7 O14 P2 InChI=1S/C21H27N7O14P2/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(32)14(30)11
    (41-21)6-39-44(36,37)42-4
    3(34,35)38-5-10-13(29)15(
    31)20(40-10)27-3-1-2-9(4-
    27)18(23)33/h1-4,7-8,10-1
    1,13-16,20-21,29-32H,5-6H
    2,(H5-,22,23,24,25,33,34,
    35,36,37)/t10-,11-,13-,14
    -,15-,16-,20-,21-/m1/s1;
    BAWFJGJZGIEFAR-NNYOXOHSSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)([O-])OCC3C(C(C(O3)n4cnc5c4nc[nH+]c5
    N)O)O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C
    @@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)
    ([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4nc[nH+]c5N)O)O)O)O)C(=O)N; NC(=O)c1
    ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)
    O[P]([O-])(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)[nH+]cnc45)[C@@H](O)[C@H
    ]2O; NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]
    ([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH
    ](O)[CH]3O)n4cnc5c(N)[nH+]cnc45)[CH](O)[
    CH]2O    		 NICOTINAMIDE-ADENINE-DINUCLEOTIDE (ACIDIC FORM)
    30411
    NAK
    DB04212    		 4 C3 H5 N O2 InChI=1S/C3H5NO2/c1-2(4)3
    (5)6/h4H,1H3,(H,5,6);
    DUAWRLXHCUAWMK-UHFFFAOYSA-N    		 CC(=[NH2+])C(=O)[O-]; CC(=[NH2+])C([O-])
    =O; [O-]C(=O)\C(=[NH2+])C    		 AMINO-ACRYLATE;
    2-IMINIOPROPANOATE
    30412
    NAL
    CHEMBL1234619
    DB01766
    ZINC000000128256    		 2 C13 H13 N O2 InChI=1S/C13H13NO2/c14-12
    (13(15)16)8-9-5-6-10-3-1-
    2-4-11(10)7-9/h1-7,12H,8,
    14H2,(H,15,16)/t12-/m0/s1;
    JPZXHKDZASGCLU-LBPRGKRZSA-N    		 O=C(O)C(N)Cc2ccc1c(cccc1)c2; c1ccc2cc(cc
    c2c1)C[C@@H](C(=O)O)N; N[C@@H](Cc1ccc2cc
    ccc2c1)C(O)=O; c1ccc2cc(ccc2c1)CC(C(=O)O
    )N; N[CH](Cc1ccc2ccccc2c1)C(O)=O    		 BETA-(2-NAPHTHYL)-ALANINE
    30413
    NAM    		 0 C13 H14 N2 O InChI=1S/C13H14N2O/c14-12
    (13(15)16)8-10-6-3-5-9-4-
    1-2-7-11(9)10/h1-7,12H,8,
    14H2,(H2,15,16)/t12-/m0/s
    1;
    DGFMSNJYBBNHCX-LBPRGKRZSA-N    		 N[C@@H](Cc1cccc2ccccc12)C(N)=O; N[CH](Cc
    1cccc2ccccc12)C(N)=O; c1ccc2c(c1)cccc2CC
    (C(=O)N)N; c1ccc2c(c1)cccc2C[C@@H](C(=O)
    N)N; O=C(N)C(N)Cc2cccc1ccccc12    		 NAM NAPTHYLAMINOALANINE
    30414
    NAN    		 0 C11 H19 N O9 InChI=1/C11H19NO9/c1-4(14
    )12-7-5(15)2-11(20,10(18)
    19)21-9(7)8(17)6(16)3-13/
    h5-9,13,15-17,20H,2-3H2,1
    H3,(H,12,14)(H,18,19)/t5-
    ,6+,7+,8+,9+,11+/m0/s1/f/
    h12,18H;
    SQVRNKJHWKZAKO-LQVDXEQVDP    		 CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)
    [CH](O)CO)C(O)=O; CC(=O)NC1C(CC(OC1C(C(C
    O)O)O)(C(=O)O)O)O; CC(=O)N[C@@H]1[C@H](C
    [C@@](O[C@H]1[C@@H]([C@@H](CO)O)O)(C(=O)
    O)O)O; O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)
    C)C(O)C1; CC(=O)N[C@@H]1[C@@H](O)C[C@@](
    O)(O[C@H]1[C@H](O)[C@H](O)CO)C(O)=O    		 5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
    30415
    NAO    		 0 H2 Na O InChI=1/Na.H2O/h;1H2/rH2N
    aO/c1-2/h2H2;
    NASFKTWZWDYFER-YMMUHFJBAE    		 [OH2-][Na+] SODIUM ION, 1 WATER COORDINATED
    30416
    NAP
    CHEMBL295069
    DB03461    		 4444 C21 H28 N7 O17 P3 InChI=1S/C21H28N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1-4,7-8,10-11,13-16,20-21
    ,29-31H,5-6H2,(H7-,22,23,
    24,25,32,33,34,35,36,37,3
    8,39)/t10-,11-,13-,14-,15
    -,16-,20-,21-/m1/s1;
    XJLXINKUBYWONI-NNYOXOHSSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)OP(=O
    )(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1)[
    CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[C
    H]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5
    c(N)ncnc45)[CH](O)[CH]2O; NC(=O)c1ccc[n+
    ](c1)[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; c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([
    C@H](O2)CO[P@@](=O)([O-])O[P@](=O)(O)OC[
    C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc
    5N)OP(=O)(O)O)O)O)O)C(=O)N    		 NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE;
    2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
    30417
    NAQ
    DB04421    		 2 C26 H35 N7 O15 P2 InChI=1S/C26H35N7O15P2/c1
    -3-14(34)11(2)12-4-5-32(6
    -13(12)23(28)39)25-20(37)
    18(35)15(46-25)7-44-49(40
    ,41)48-50(42,43)45-8-16-1
    9(36)21(38)26(47-16)33-10
    -31-17-22(27)29-9-30-24(1
    7)33/h4-6,9-11,15-16,18-2
    1,25-26,35-38H,3,7-8H2,1-
    2H3,(H5-,27,28,29,30,39,4
    0,41,42,43)/t11-,15+,16+,
    18+,19+,20+,21+,25+,26+/m
    0/s1;
    BZJFKYRGSZWSLT-YLIVDTKOSA-N    		 CCC(=O)[C@@H](C)c1cc[n+](cc1C(=O)N)[C@H]
    2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-]
    )O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H
    ](O3)n4cnc5c4ncnc5N)O)O)O)O; CCC(=O)[CH]
    (C)c1cc[n+](cc1C(N)=O)[CH]2O[CH](CO[P]([
    O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[
    CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O; CC
    C(=O)C(C)c1cc[n+](cc1C(=O)N)C2C(C(C(O2)C
    OP(=O)([O-])OP(=O)(O)OCC3C(C(C(O3)n4cnc5
    c4ncnc5N)O)O)O)O; CCC(=O)[C@@H](C)c1cc[n
    +](cc1C(N)=O)[C@@H]2O[C@H](CO[P]([O-])(=
    O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@
    @H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE 3-PENTANONE ADDUCT
    30418
    NAR
    CHEMBL9352
    DB03467
    ZINC000000156701    		 53 C15 H12 O5 InChI=1S/C15H12O5/c16-9-3
    -1-8(2-4-9)13-7-12(19)15-
    11(18)5-10(17)6-14(15)20-
    13/h1-6,13,16-18H,7H2/t13
    -/m0/s1;
    FTVWIRXFELQLPI-ZDUSSCGKSA-N    		 c1cc(ccc1C2CC(=O)c3c(cc(cc3O2)O)O)O; Oc1
    ccc(cc1)[CH]2CC(=O)c3c(O)cc(O)cc3O2; c1c
    c(ccc1[C@@H]2CC(=O)c3c(cc(cc3O2)O)O)O; O
    =C2c3c(OC(c1ccc(O)cc1)C2)cc(O)cc3O; Oc1c
    cc(cc1)[C@@H]2CC(=O)c3c(O)cc(O)cc3O2    		 NARINGENIN
    30419
    NAS
    CHEMBL1234624
    DB08254
    ZINC000001554037    		 0 C10 H8 O3 S InChI=1S/C10H8O3S/c11-14(
    12,13)10-6-5-8-3-1-2-4-9(
    8)7-10/h1-7H,(H,11,12,13);
    KVBGVZZKJNLNJU-UHFFFAOYSA-N    		 c1ccc2cc(ccc2c1)S(=O)(=O)O; O=S(=O)(O)c2
    ccc1c(cccc1)c2; O[S](=O)(=O)c1ccc2ccccc2
    c1    		 2-NAPHTHALENESULFONIC ACID
    30420
    NAT
    CHEMBL254432
    DB04331
    ZINC000004425506    		 4 C14 H16 N2 O3 S InChI=1S/C14H16N2O3S/c1-3
    -19-13(18)11-8(2)15-14(20
    )16-12(11)9-5-4-6-10(17)7
    -9/h4-7,12,17H,3H2,1-2H3,
    (H2,15,16,20)/t12-/m0/s1;
    LOBCDGHHHHGHFA-LBPRGKRZSA-N    		 CCOC(=O)C1=C(C)NC(=S)N[CH]1c2cccc(O)c2;
    CCOC(=O)C1=C(NC(=S)N[C@H]1c2cccc(c2)O)C;
    CCOC(=O)C1=C(NC(=S)NC1c2cccc(c2)O)C; CC
    OC(=O)C1=C(C)NC(=S)N[C@H]1c2cccc(O)c2; S
    =C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC    		 ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE;
    MONASTROL
    30421
    NAU
    ZINC000033769327    		 1 C11 H21 N O9 InChI=1S/C11H21NO9/c1-5(1
    4)12-10(9(19)8(18)6(15)4-
    13)11(20,21)3-2-7(16)17/h
    6,8-10,13,15,18-21H,2-4H2
    ,1H3,(H,12,14)(H,16,17)/t
    6-,8-,9+,10+/m1/s1;
    LNLFFPBOMACCNX-PRQTWWFRSA-N    		 CC(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)C
    O)C(O)(O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([
    C@@H]([C@@H](CO)O)O)O)C(CCC(=O)O)(O)O; C
    C(=O)N[CH]([CH](O)[CH](O)[CH](O)CO)C(O)(
    O)CCC(O)=O; O=C(NC(C(O)(O)CCC(=O)O)C(O)C
    (O)C(O)CO)C; CC(=O)NC(C(C(C(CO)O)O)O)C(C
    CC(=O)O)(O)O    		 4,4,6,7,8,9-HEXAHYDROXY-5-METHYLCARBOXAMIDONONANOIC ACID
    30422
    NAV
    ZINC000033769331    		 1 C11 H19 N O8 InChI=1S/C11H19NO8/c1-5(1
    4)12-9(6(15)2-3-8(17)18)1
    1(20)10(19)7(16)4-13/h7,9
    -11,13,16,19-20H,2-4H2,1H
    3,(H,12,14)(H,17,18)/t7-,
    9-,10-,11-/m1/s1;
    IZVFSUJQAOHESA-QCNRFFRDSA-N    		 CC(=O)NC(C(C(C(CO)O)O)O)C(=O)CCC(=O)O; C
    C(=O)N[C@@H]([C@@H](O)[C@H](O)[C@H](O)CO
    )C(=O)CCC(O)=O; CC(=O)N[C@@H]([C@H]([C@@
    H]([C@@H](CO)O)O)O)C(=O)CCC(=O)O; CC(=O)
    N[CH]([CH](O)[CH](O)[CH](O)CO)C(=O)CCC(O
    )=O; O=C(O)CCC(=O)C(NC(=O)C)C(O)C(O)C(O)
    CO    		 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-4-OXONONANOIC ACID
    30423
    NAW    		 0 H6 Na O3 InChI=1/Na.3H2O/h;3*1H2/q
    -2;;;/rH6NaO3/c2-1(3)4/h2
    -4H2/q-2;
    VZLNGZPHSOIKER-BJIWCTOXAB    		 [OH2-][Na+]([OH2-])[OH2-] SODIUM ION, 3 WATERS COORDINATED
    30424
    NAX
    ZINC000008219662    		 8 C21 H31 N7 O15 P2 InChI=1S/C21H31N7O15P2/c2
    2-17-12-19(25-6-24-17)28(
    7-26-12)21-16(33)14(31)10
    (42-21)5-40-45(37,38)43-4
    4(35,36)39-4-9-13(30)15(3
    2)20(41-9)27-3-8(18(23)34
    )1-2-11(27)29/h3,6-7,9-11
    ,13-16,20-21,29-33H,1-2,4
    -5H2,(H2,23,34)(H,35,36)(
    H,37,38)(H2,22,24,25)/t9-
    ,10-,11+,13-,14-,15-,16-,
    20-,21-/m1/s1;
    IDBZKGQRLBFUFQ-VPHRTNKSSA-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)[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)[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)O)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)O)N    		 BETA-6-HYDROXY-1,4,5,6-TETRHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
    30425
    NAY
    ZINC000002043009    		 2 C11 H19 N O8 InChI=1S/C11H19NO8/c1-5(1
    4)12-6(2-3-7(15)11(19)20)
    9(17)10(18)8(16)4-13/h6,8
    -10,13,16-18H,2-4H2,1H3,(
    H,12,14)(H,19,20)/t6-,8-,
    9-,10-/m1/s1;
    HWTGNSKUIIUDOU-PEBGCTIMSA-N    		 CC(=O)N[C@H](CCC(=O)C(=O)O)[C@H]([C@@H](
    [C@@H](CO)O)O)O; CC(=O)N[C@H](CCC(=O)C(O
    )=O)[C@@H](O)[C@H](O)[C@H](O)CO; O=C(O)C
    (=O)CCC(NC(=O)C)C(O)C(O)C(O)CO; CC(=O)N[
    CH](CCC(=O)C(O)=O)[CH](O)[CH](O)[CH](O)C
    O; CC(=O)NC(CCC(=O)C(=O)O)C(C(C(CO)O)O)O    		 6,7,8,9-TETRAHYDROXY-5-METHYLCARBOXAMIDO-2-OXONONANOIC ACID
    30426
    NAZ
    ZINC000033922568    		 0 C24 H25 N7 O3 InChI=1S/C24H25N7O3/c1-15
    -2-3-16-5-8-19(30-23(16)2
    7-15)29-22(34)11-13-25-12
    -10-20(32)26-14-18-7-4-17
    -6-9-21(33)31-24(17)28-18
    /h2-9,25H,10-14H2,1H3,(H,
    26,32)(H,28,31,33)(H,27,2
    9,30,34);
    BWINWCKASXYPFA-UHFFFAOYSA-N    		 Cc1ccc2ccc(nc2n1)NC(=O)CCNCCC(=O)NCc3ccc
    4c(n3)NC(=O)C=C4; Cc1ccc2ccc(NC(=O)CCNCC
    C(=O)NCc3ccc4C=CC(=O)Nc4n3)nc2n1; O=C(Nc
    1nc2nc(ccc2cc1)C)CCNCCC(=O)NCc4nc3c(C=CC
    (=O)N3)cc4    		 N~3~-{3-[(7-METHYL-1,8-NAPHTHYRIDIN-2-YL)AMINO]-3-OXOPROPYL}-N~1~-[(7-OXO-7,8-DIHYDRO-1,8-NAPHTHYRIDIN-2-YL)METHYL]-BET A-ALANINAMIDE;
    NAPHTYRIDINE-AZAQUINOLONE
    30427
    NB0
    ZINC000016527105    		 1 C20 H18 F N3 O2 InChI=1S/C20H18FN3O2/c21-
    16-6-2-4-8-18(16)23-9-11-
    24(12-10-23)20(26)15-13-1
    9(25)22-17-7-3-1-5-14(15)
    17/h1-8,13H,9-12H2,(H,22,
    25);
    ONQQLMKVMVPYKH-UHFFFAOYSA-N    		 Fc1ccccc1N2CCN(CC2)C(=O)C3=CC(=O)Nc4cccc
    c34; O=C(C1=CC(=O)Nc2ccccc21)N1CCN(CC1)c
    1ccccc1F; c1ccc2c(c1)C(=CC(=O)N2)C(=O)N3
    CCN(CC3)c4ccccc4F    		 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one
    30428
    NB1
    CHEMBL1213604
    DB08255
    ZINC000016052203    		 2 C10 H17 N O4 S InChI=1S/C10H17NO4S/c1-2-
    3-6-11-7-9(14)8(13)5(4-12
    )15-10(7)16-6/h5,7-10,12-
    14H,2-4H2,1H3/t5-,7-,8-,9
    -,10-/m1/s1;
    QWOPEBCGKASVQP-QXOHVQIXSA-N    		 CCCC1=NC2C(C(C(OC2S1)CO)O)O; CCCC1=N[C@@
    H]2[C@H]([C@@H]([C@H](O[C@@H]2S1)CO)O)O;
    CCCC1=N[C@@H]2[C@@H](O)[C@H](O)[C@@H](C
    O)O[C@@H]2S1; N1=C(SC2OC(C(O)C(O)C12)CO)
    CCC; CCCC1=N[CH]2[CH](O)[CH](O)[CH](CO)O
    [CH]2S1    		 (3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL
    30429
    NB2    		 1 C33 H56 N6 O6 S InChI=1S/C33H56N6O6S/c1-3
    0(2,3)25(37-29(43)38-33(1
    3-10-9-11-14-33)19-46(44,
    45)31(4,5)6)28(42)39-18-2
    2-23(32(22,7)8)24(39)27(4
    1)36-21(17-34)16-20-12-15
    -35-26(20)40/h17,20-25,34
    H,9-16,18-19H2,1-8H3,(H,3
    5,40)(H,36,41)(H2,37,38,4
    3)/b34-17-/t20-,21-,22-,2
    3-,24-,25+/m0/s1;
    RXHKWDZUWDFTBO-TWNGUQAKSA-N    		 CC1(C2C1C(N(C2)C(=O)C(C(C)(C)C)NC(=O)NC3
    (CCCCC3)CS(=O)(=O)C(C)(C)C)C(=O)NC(CC4CC
    NC4=O)C=N)C; CC1(C)C2C(C(=O)NC(C=N)CC3CC
    NC3=O)N(CC21)C(=O)C(NC(=O)NC1(CS(=O)(=O)
    C(C)(C)C)CCCCC1)C(C)(C)C; CC(C)(C)[CH](N
    C(=O)NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=
    O)N2C[CH]3[CH]([CH]2C(=O)N[CH](C[CH]4CCN
    C4=O)C=N)C3(C)C; [H]/N=C\[C@H](C[C@@H]1C
    CNC1=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; CC(C)(C)[C@H](NC(=O
    )NC1(CCCCC1)C[S](=O)(=O)C(C)(C)C)C(=O)N2
    C[C@H]3[C@@H]([C@H]2C(=O)N[C@@H](C[C@@H]
    4CCNC4=O)C=N)C3(C)C    		 (1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    30430
    NB3    		 1 C12 H15 N3 O InChI=1S/C12H15N3O/c1-3-1
    2(16)13-8-10-9-6-4-5-7-11
    (9)15(2)14-10/h4-7H,3,8H2
    ,1-2H3,(H,13,16);
    DEHXEHSVIKWPOQ-UHFFFAOYSA-N    		 CCC(=O)NCc1c2ccccc2n(n1)C; CCC(=O)NCc1nn
    (C)c2ccccc12    		 ~{N}-[(1-methylindazol-3-yl)methyl]propanamide;
    N-[(1-methylindazol-3-yl)methyl]prop-2-enamide (precursor)
    30431
    NB4    		 1 C22 H36 F N7 O4 InChI=1S/C22H36FN7O4/c1-1
    5-24-20(19(23)21(25-15)29
    -7-6-28-8-9-34-13-18(28)1
    2-29)26-27-22(32)17(11-30
    (33)14-31)10-16-4-2-3-5-1
    6/h16-18,31,33H,2-14H2,1H
    3,(H,27,32)(H,24,25,26)/t
    17-,18+/m1/s1;
    ZUQCOBLJLUYLKK-MSOLQXFVSA-N    		 Cc1nc(c(c(n1)N2CCN3CCOCC3C2)F)NNC(=O)C(C
    C4CCCC4)CN(CO)O; Cc1nc(NNC(=O)[CH](CC2CC
    CC2)CN(O)CO)c(F)c(n1)N3CCN4CCOC[CH]4C3;
    C(C1CCCC1)C(C(NNc2nc(C)nc(c2F)N4CCN3CCOC
    C3C4)=O)CN(CO)O; Cc1nc(c(c(n1)N2CCN3CCOC
    [C@@H]3C2)F)NNC(=O)[C@H](CC4CCCC4)CN(CO)
    O; Cc1nc(NNC(=O)[C@H](CC2CCCC2)CN(O)CO)c
    (F)c(n1)N3CCN4CCOC[C@@H]4C3    		 (2R)-2-(cyclopentylmethyl)-N'-{5-fluoro-6-[(9aS)-hexahydropyrazino[2,1-c][1,4]oxazin-8(1H)-yl]-2-methylpyrimidin-4-yl}-3-[hydroxy(hydroxymethyl)amino]propanehydrazide
    30432
    NB5
    CHEMBL5270903    		 2 C26 H28 F N9 O InChI=1S/C26H28FN9O/c1-15
    -28-9-16(10-29-15)21-19(2
    7)6-20-22(33-21)23(37-25(
    2)4-5-25)34-24(32-20)31-1
    7-11-30-36(12-17)18-7-26(
    8-18)13-35(3)14-26/h6,9-1
    2,18H,4-5,7-8,13-14H2,1-3
    H3,(H,31,32,34);
    XGNWCJAZTBIOLY-UHFFFAOYSA-N    		 Cc1ncc(cn1)c2c(cc3c(n2)c(nc(n3)Nc4cnn(c4
    )C5CC6(C5)CN(C6)C)OC7(CC7)C)F; CN1CC2(CC
    (C2)n3cc(Nc4nc(OC5(C)CC5)c6nc(c(F)cc6n4)
    c7cnc(C)nc7)cn3)C1    		 7-fluoranyl-~{N}-[1-(2-methyl-2-azaspiro[3.3]heptan-6-yl)pyrazol-4-yl]-4-(1-methylcyclopropyl)oxy-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
    30433
    NB6    		 1 C14 H13 Br N2 O InChI=1S/C14H13BrN2O/c1-1
    0-5-6-16-9-13(10)17-14(18
    )8-11-3-2-4-12(15)7-11/h2
    -7,9H,8H2,1H3,(H,17,18);
    ZTLMWKAKNVXEJW-UHFFFAOYSA-N    		 Cc1ccncc1NC(=O)Cc2cccc(c2)Br; Cc1ccncc1N
    C(=O)Cc2cccc(Br)c2; O=C(Nc1cnccc1C)Cc1cc
    cc(Br)c1    		 2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide
    30434
    NB7
    CHEMBL4530847
    ZINC000009513173    		 1 C13 H11 F N2 O3 S InChI=1S/C13H11FN2O3S/c14
    -11-8-4-5-9-12(11)20(18,1
    9)16-15-13(17)10-6-2-1-3-
    7-10/h1-9,16H,(H,15,17);
    DNZDKRQQOYZLNO-UHFFFAOYSA-N    		 Fc1ccccc1[S](=O)(=O)NNC(=O)c2ccccc2; c1(
    ccccc1S(NNC(c2ccccc2)=O)(=O)=O)F; c1ccc(
    cc1)C(=O)NNS(=O)(=O)c2ccccc2F    		 N'-[(2-fluorophenyl)sulfonyl]benzohydrazide
    30435
    NB8
    ZINC000058650246    		 1 C14 H20 N7 O10 P InChI=1S/C14H20N7O10P/c15
    -5(1-7(22)20-26)14(25)31-
    32(27,28)29-2-6-9(23)10(2
    4)13(30-6)21-4-19-8-11(16
    )17-3-18-12(8)21/h3-6,9-1
    0,13,23-24,26H,1-2,15H2,(
    H,20,22)(H,27,28)(H2,16,1
    7,18)/t5-,6+,9+,10+,13+/m
    0/s1;
    LNQDDLRGTAFRLA-VWJPMABRSA-N    		 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C
    @H](O3)CO[P@@](=O)(O)OC(=O)[C@H](CC(=O)N
    O)N)O)O)N; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)
    COP(=O)(O)OC(=O)C(CC(=O)NO)N)O)O)N; O=C(
    NO)CC(N)C(=O)OP(=O)(O)OCC3OC(n2cnc1c(ncn
    c12)N)C(O)C3O; N[CH](CC(=O)NO)C(=O)O[P](
    O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c
    (N)ncnc23; N[C@@H](CC(=O)NO)C(=O)O[P](O)
    (=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn
    c3c(N)ncnc23    		 5'-O-[(R)-{[(2S)-2-amino-4-(hydroxyamino)-4-oxobutanoyl]oxy}(hydroxy)phosphoryl]adenosine
    30436
    NB9
    CHEMBL108111    		 8 C24 H28 N4 O6 InChI=1S/C24H28N4O6/c25-2
    2(26)16-3-5-17(6-4-16)23(
    32)27-20(13-15-1-7-18(29)
    8-2-15)24(33)28-11-9-19(1
    0-12-28)34-14-21(30)31/h1
    -8,19-20,29H,9-14H2,(H3,2
    5,26)(H,27,32)(H,30,31)/t
    20-/m0/s1;
    FPKOGTAFKSLZLD-FQEVSTJZSA-N    		 [H]/N=C(\c1ccc(cc1)C(=O)N[C@@H](Cc2ccc(c
    c2)O)C(=O)N3CCC(CC3)OCC(=O)O)/N; O=C(C(C
    c1ccc(O)cc1)NC(=O)c1ccc(cc1)C(=N)N)N1CCC
    (OCC(=O)O)CC1; NC(=N)c1ccc(cc1)C(=O)N[C@
    @H](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)OCC(O)=O
    ; c1cc(ccc1CC(C(=O)N2CCC(CC2)OCC(=O)O)NC
    (=O)c3ccc(cc3)C(=N)N)O; NC(=N)c1ccc(cc1)
    C(=O)N[CH](Cc2ccc(O)cc2)C(=O)N3CCC(CC3)O
    CC(O)=O    		 Lamifiban;
    ({1-[N-(4-carbamimidoylbenzoyl)-L-tyrosyl]piperidin-4-yl}oxy)acetic acid
    30437
    NBA
    ZINC000033769333    		 6 C10 H25 N3 O2 InChI=1S/C10H25N3O2/c1-11
    -5-2-6-12-7-3-8-13-9-4-10
    (14)15/h10-15H,2-9H2,1H3;
    PTLIEDFKZYQZEI-UHFFFAOYSA-N    		 CNCCCNCCCNCCC(O)O; OC(O)CCNCCCNCCCNC 3-[(3-{[3-(METHYLAMINO)PROPYL]AMINO}PROPYL)AMINO]PROPANE-1,1-DIOL
    30438
    NBB
    CHEMBL479880
    DB02055
    ZINC000001666831    		 18 C10 H15 N O2 S InChI=1S/C10H15NO2S/c1-2-
    3-9-11-14(12,13)10-7-5-4-
    6-8-10/h4-8,11H,2-3,9H2,1
    H3;
    IPRJXAGUEGOFGG-UHFFFAOYSA-N    		 CCCCNS(=O)(=O)c1ccccc1; CCCCN[S](=O)(=O)
    c1ccccc1; O=S(=O)(NCCCC)c1ccccc1    		 N-BUTYL-BENZENESULFONAMIDE
    30439
    NBC
    DB03245
    ZINC000195757740    		 1 C25 H41 N8 O19 P3 S InChI=1S/C25H41N8O19P3S/c
    1-25(2,20(37)23(38)28-6-5
    -15(34)27-7-9-56-16(35)4-
    3-8-33(39)40)11-49-55(46,
    47)52-54(44,45)48-10-14-1
    9(51-53(41,42)43)18(36)24
    (50-14)32-13-31-17-21(26)
    29-12-30-22(17)32/h12-14,
    18-20,24,36-37H,3-11H2,1-
    2H3,(H,27,34)(H,28,38)(H,
    44,45)(H,46,47)(H2,26,29,
    30)(H2,41,42,43)/t14-,18-
    ,19-,20+,24-/m1/s1;
    PXNIOQHGCSEKCC-CITAKDKDSA-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)NCCSC(=O)C
    CC[N+](=O)[O-])O; CC(C)(CO[P@@](O)(=O)O[
    P@](O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1
    O[P](O)(O)=O)n2cnc3c(N)ncnc23)[C@@H](O)C
    (=O)NCCC(=O)NCCSC(=O)CCC[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)ncnc2
    3)[CH](O)C(=O)NCCC(=O)NCCSC(=O)CCC[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)NCCSC(=O)CCC[N+](=O)[O-])O; [O-
    ][N+](=O)CCCC(=O)SCCNC(=O)CCNC(=O)C(O)C(
    C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(n
    cnc12)N)C(O)C3OP(=O)(O)O    		 S-4-NITROBUTYRYL-COA
    30440
    NBD    		 4 C28 H33 N7 O14 P2 InChI=1S/C28H33N7O14P2/c2
    9-24(40)16-7-4-8-34(10-16
    )27-22(38)20(36)17(47-27)
    11-45-50(41,42)49-51(43,4
    4)46-12-18-21(37)23(39)28
    (48-18)35-14-33-19-25(31-
    13-32-26(19)35)30-9-15-5-
    2-1-3-6-15/h1-8,10,13-14,
    17-18,20-23,27-28,36-39H,
    9,11-12H2,(H4-,29,30,31,3
    2,40,41,42,43,44)/t17-,18
    -,20-,21-,22-,23-,27-,28-
    /m1/s1;
    PDNSIRRMIDXSBH-INGGVVRRSA-N    		 c1ccc(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H
    ]([C@@H]([C@H](O4)CO[P@](=O)(O)O[P@](=O)
    ([O-])OC[C@@H]5[C@H]([C@H]([C@@H](O5)[n+
    ]6cccc(c6)C(=O)N)O)O)O)O; c1ccc(cc1)CNc2
    c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP(=
    O)([O-])OCC5C(C(C(O5)[n+]6cccc(c6)C(=O)N
    )O)O)O)O; NC(=O)c1ccc[n+](c1)[C@@H]2O[C@
    H](CO[P]([O-])(=O)O[P@](O)(=O)OC[C@H]3O[
    C@H]([C@H](O)[C@@H]3O)n4cnc5c(NCc6ccccc6
    )ncnc45)[C@@H](O)[C@H]2O; NC(=O)c1ccc[n+
    ](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=
    O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(NCc
    6ccccc6)ncnc45)[CH](O)[CH]2O    		 N6-BENZYL-NICOTINAMIDE-ADENINE-DINUCLEOTIDE
    30441
    NBE
    CHEMBL98797
    ZINC000004097291    		 12 C6 H5 N O InChI=1S/C6H5NO/c8-7-6-4-
    2-1-3-5-6/h1-5H;
    NLRKCXQQSUWLCH-UHFFFAOYSA-N    		 O=Nc1ccccc1; c1ccc(cc1)N=O NITROSOBENZENE
    30442
    NBF
    CHEMBL1234635
    DB02841
    ZINC000169748477    		 3 C14 H16 B N O4 InChI=1S/C14H16BNO4/c1-2-
    20-12-8-7-10-5-3-4-6-11(1
    0)13(12)14(17)16-9-15(18)
    19/h3-8,18-19H,2,9H2,1H3,
    (H,16,17);
    VGXJNGVFESCMME-UHFFFAOYSA-N    		 CCOc1ccc2ccccc2c1C(=O)NCB(O)O; B(CNC(=O)
    c1c2ccccc2ccc1OCC)(O)O; O=C(c1c2c(ccc1OC
    C)cccc2)NCB(O)O    		 [(2-ETHOXY-1-NAPHTHOYL)AMINO]METHYLBORONIC ACID
    30443
    NBG
    CHEMBL335315
    DB02320    		 34 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-8-7(14)6(13)5(12)4(2-1
    0)15-8/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6+,7
    -,8-/m1/s1;
    IBONACLSSOLHFU-JAJWTYFOSA-N    		 CC(=O)N[C@H]1[C@@H]([C@H]([C@@H]([C@H](O
    1)CO)O)O)O; CC(=O)N[CH]1O[CH](CO)[CH](O)
    [CH](O)[CH]1O; CC(=O)N[C@@H]1O[C@H](CO)[
    C@@H](O)[C@H](O)[C@H]1O; O=C(NC1OC(C(O)C
    (O)C1O)CO)C; CC(=O)NC1C(C(C(C(O1)CO)O)O)
    O    		 N-acetyl-beta-D-glucopyranosylamine;
    1-N-ACETYL-BETA-D-GLUCOSAMINE;
    N-acetyl-beta-D-glucosylamine;
    N-acetyl-D-glucosylamine;
    N-acetyl-glucosylamine
    30444
    NBH
    CHEMBL3109325
    ZINC000095921228    		 2 C27 H32 N2 O3 S InChI=1S/C27H32N2O3S/c1-3
    -18-29(20-23-8-6-5-7-9-23
    )21-24-10-14-25(15-11-24)
    28-27(30)19-22-12-16-26(1
    7-13-22)33(31,32)4-2/h5-1
    7H,3-4,18-21H2,1-2H3,(H,2
    8,30);
    PWRYHBNVYOIZJC-UHFFFAOYSA-N    		 O=S(=O)(c1ccc(cc1)CC(=O)Nc2ccc(cc2)CN(Cc
    3ccccc3)CCC)CC; CCCN(Cc1ccccc1)Cc2ccc(cc
    2)NC(=O)Cc3ccc(cc3)S(=O)(=O)CC; CCCN(Cc1
    ccccc1)Cc2ccc(NC(=O)Cc3ccc(cc3)[S](=O)(=
    O)CC)cc2    		 N-(4-{[benzyl(propyl)amino]methyl}phenyl)-2-[4-(ethylsulfonyl)phenyl]acetamide
    30445
    NBI
    CHEMBL1615112
    ZINC000000121139    		 2 C13 H10 N2 O3 InChI=1S/C13H10N2O3/c16-1
    3(14-10-6-2-1-3-7-10)11-8
    -4-5-9-12(11)15(17)18/h1-
    9H,(H,14,16);
    RNFCQIOHQPIUOI-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=O)c2ccccc2[N+](=O)[O-]; [O
    -][N+](=O)c1ccccc1C(=O)Nc2ccccc2    		 2-nitro-N-phenylbenzamide
    30446
    NBJ
    CHEMBL4464519    		 1 C13 H10 F I N2 O3 S InChI=1S/C13H10FIN2O3S/c1
    4-11-6-1-2-7-12(11)21(19,
    20)17-16-13(18)9-4-3-5-10
    (15)8-9/h1-8,17H,(H,16,18
    );
    WRILZXKUOHKYFI-UHFFFAOYSA-N    		 c1ccc(c(c1)F)S(=O)(=O)NNC(=O)c2cccc(c2)I
    ; C(c1cc(I)ccc1)(NNS(c2c(cccc2)F)(=O)=O)
    =O; Fc1ccccc1[S](=O)(=O)NNC(=O)c2cccc(I)
    c2    		 N'-[(2-fluorophenyl)sulfonyl]-3-iodobenzohydrazide
    30447
    NBK
    CHEMBL5288931    		 2 C25 H28 F N9 O InChI=1S/C25H28FN9O/c1-15
    -27-11-16(12-28-15)21-19(
    26)10-20-22(32-21)23(36-2
    5(2)6-7-25)33-24(31-20)30
    -17-13-29-35(14-17)18-4-8
    -34(3)9-5-18/h10-14,18H,4
    -9H2,1-3H3,(H,30,31,33);
    SZURKEABSBIIMJ-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(c(F
    )cc5n3)c6cnc(C)nc6)cn2; Cc1ncc(cn1)c2c(c
    c3c(n2)c(nc(n3)Nc4cnn(c4)C5CCN(CC5)C)OC6
    (CC6)C)F    		 7-fluoranyl-4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(2-methylpyrimidin-5-yl)pyrido[3,2-d]pyrimidin-2-amine
    30448
    NBL
    DB03456
    ZINC000012503669    		 1 C19 H26 N4 O3 InChI=1S/C19H26N4O3/c1-14
    (2)10-17(18(24)21-16-8-9-
    23(11-16)13-20)22-19(25)2
    6-12-15-6-4-3-5-7-15/h3-7
    ,14,16-17H,8-12H2,1-2H3,(
    H,21,24)(H,22,25)/t16-,17
    +/m1/s1;
    IMTUSTXBVIALBC-SJORKVTESA-N    		 N#CN2CCC(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C
    )C2; CC(C)CC(C(=O)NC1CCN(C1)C#N)NC(=O)OC
    c2ccccc2; CC(C)C[C@@H](C(=O)N[C@@H]1CCN(
    C1)C#N)NC(=O)OCc2ccccc2; CC(C)C[C@H](NC(
    =O)OCc1ccccc1)C(=O)N[C@@H]2CCN(C2)C#N; C
    C(C)C[CH](NC(=O)OCc1ccccc1)C(=O)N[CH]2CC
    N(C2)C#N    		 N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE
    30449
    NBM
    CHEMBL418509
    ZINC000002097863    		 2 C17 H17 N5 O6 S InChI=1S/C17H17N5O6S/c23-
    5-11-13(24)14(25)17(28-11
    )21-8-20-12-15(21)18-7-19
    -16(12)29-6-9-1-3-10(4-2-
    9)22(26)27/h1-4,7-8,11,13
    -14,17,23-25H,5-6H2/t11-,
    13-,14-,17-/m1/s1;
    DYCJFJRCWPVDHY-LSCFUAHRSA-N    		 OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(SCc4c
    cc(cc4)[N+]([O-])=O)ncnc23; c1cc(ccc1CSc
    2c3c(ncn2)n(cn3)C4C(C(C(O4)CO)O)O)[N+](=
    O)[O-]; c1cc([N+](=O)[O-])ccc1CSc2ncnc3c
    2ncn3C4C(O)C(C(CO)O4)O; OC[C@H]1O[C@H]([
    C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+]
    ([O-])=O)ncnc23; c1cc(ccc1CSc2c3c(ncn2)n
    (cn3)[C@H]4[C@@H]([C@@H]([C@H](O4)CO)O)O
    )[N+](=O)[O-]    		 6-{[(4-nitrophenyl)methyl]sulfanyl}-9-beta-D-ribofuranosyl-9H-purine
    30450
    NBN
    DB01826
    ZINC000053683318    		 3 C5 H9 N InChI=1S/C5H9N/c1-3-4-5-6
    -2/h3-5H2,1H3;
    FSBLVBBRXSCOKU-UHFFFAOYSA-N    		 CCCC[N+]#[C-]; isocyanide N-BUTYL ISOCYANIDE
    30451
    NBO
    CHEMBL1070
    DB00461
    ZINC000000020221    		 3 C15 H16 O2 InChI=1S/C15H16O2/c1-11(1
    6)3-4-12-5-6-14-10-15(17-
    2)8-7-13(14)9-12/h5-10H,3
    -4H2,1-2H3;
    BLXXJMDCKKHMKV-UHFFFAOYSA-N    		 O=C(C)CCc1ccc2c(c1)ccc(OC)c2; CC(=O)CCc1
    ccc2cc(ccc2c1)OC; COc1ccc2cc(CCC(C)=O)cc
    c2c1    		 nabumetone;
    4-(6-methoxynaphthalen-2-yl)butan-2-one
    30452
    NBP
    DB03962    		 1 C21 H27 Br N7 O17 P3 InChI=1S/C21H27BrN7O17P3/
    c22-21-27-11-16(23)25-7-2
    6-18(11)29(21)20-15(45-47
    (34,35)36)13(31)10(44-20)
    6-42-49(39,40)46-48(37,38
    )41-5-9-12(30)14(32)19(43
    -9)28-3-1-2-8(4-28)17(24)
    33/h1-4,7,9-10,12-15,19-2
    0,30-32H,5-6H2,(H7-,23,24
    ,25,26,33,34,35,36,37,38,
    39,40)/t9-,10-,12-,13-,14
    -,15-,19-,20-/m1/s1;
    MDKMTCCUJSRQGW-NAJQWHGHSA-N    		 c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](
    O2)CO[P@@](=O)([O-])O[P@@](=O)(O)OC[C@@H
    ]3[C@H]([C@H]([C@@H](O3)n4c5c(c(ncn5)N)n
    c4Br)OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1cc
    c[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](
    O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH
    ]3O)n4c(Br)nc5c(N)ncnc45)[CH](O)[CH]2O;
    c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4c5c(c(ncn5)N)nc4Br
    )OP(=O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+
    ](c1)[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)n4c(Br)nc5c(N)ncnc45)[C@@H](O)[
    C@H]2O    		 NICOTINAMIDE 8-BROMO-ADENINE DINUCLEOTIDE PHOSPHATE
    30453
    NBQ
    DB02511
    ZINC000012502206    		 0 C23 H22 N2 O6 InChI=1S/C23H22N2O6/c24-1
    9(23(29)30)10-16-11-20(22
    (28)12-21(16)27)25-17(7-8
    -26)13-31-18-6-5-14-3-1-2
    -4-15(14)9-18/h1-9,11-12,
    19,25,27-28H,10,13,24H2,(
    H,29,30)/b17-7+/t19-/m0/s
    1;
    PZWMZAFFUAWVDN-CQXYXCHQSA-N    		 N[CH](Cc1cc(NC(COc2ccc3ccccc3c2)=CC=O)c(
    O)cc1O)C(O)=O; N[C@@H](Cc1cc(N\C(COc2ccc
    3ccccc3c2)=C\C=O)c(O)cc1O)C(O)=O; O=C(O)
    C(N)Cc3c(O)cc(O)c(N\C(=C\C=O)COc2cc1cccc
    c1cc2)c3; c1ccc2cc(ccc2c1)OCC(=CC=O)Nc3c
    c(c(cc3O)O)CC(C(=O)O)N; c1ccc2cc(ccc2c1)
    OC/C(=C\C=O)/Nc3cc(c(cc3O)O)C[C@@H](C(=O
    )O)N    		 2-HYDROXY-5-({1-[(2-NAPHTHYLOXY)METHYL]-3-OXOPROP-1-ENYL}AMINO)TYROSINE
    30454
    NBR
    CHEMBL4302556    		 1 C30 H36 N4 O2 InChI=1S/C30H36N4O2/c1-31
    (2)27-13-17-33(18-14-27)2
    3-25-5-9-29(10-6-25)35-21
    -22-36-30-11-7-26(8-12-30
    )24-34-19-15-28(16-20-34)
    32(3)4/h5-20H,21-24H2,1-4
    H3/q+2;
    SBSYTSUJNSFXCL-UHFFFAOYSA-N    		 CN(C)c1cc[n+](Cc2ccc(OCCOc3ccc(C[n+]4ccc
    (cc4)N(C)C)cc3)cc2)cc1; CN(C)c1cc[n+](cc
    1)Cc2ccc(cc2)OCCOc3ccc(cc3)C[n+]4ccc(cc4
    )N(C)C    		 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine
    30455
    NBS
    CHEMBL1234640
    DB01893    		 1 C17 H21 N5 O10 P2 InChI=1S/C17H21N5O10P2/c2
    3-13-11(7-30-34(28,29)32-
    33(25,26)27)31-17(14(13)2
    4)22-9-21-12-15(19-8-20-1
    6(12)22)18-6-10-4-2-1-3-5
    -10/h1-5,8-9,11,13-14,17,
    23-24H,6-7H2,(H,28,29)(H,
    18,19,20)(H2,25,26,27)/t1
    1-,13-,14-,17-/m1/s1;
    MRHGMAGSDAQUFH-LSCFUAHRSA-N    		 O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P]
    (O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23; c1cc
    c(cc1)CNc2c3c(ncn2)n(cn3)[C@H]4[C@@H]([C
    @@H]([C@H](O4)CO[P@@](=O)(O)OP(=O)(O)O)O
    )O; O=P(O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncn
    c12)NCc3ccccc3)C(O)C4O; O[C@H]1[C@@H](O)
    [C@@H](O[C@@H]1CO[P@](O)(=O)O[P](O)(O)=O
    )n2cnc3c(NCc4ccccc4)ncnc23; c1ccc(cc1)CN
    c2c3c(ncn2)n(cn3)C4C(C(C(O4)COP(=O)(O)OP
    (=O)(O)O)O)O    		 N6-BENZYL ADENOSINE-5'-DIPHOSPHATE
    30456
    NBT
    ZINC000002034490    		 4 C4 H9 N O2 InChI=1S/C4H9NO2/c1-3-4(2
    )5(6)7/h4H,3H2,1-2H3/t4-/
    m0/s1;
    SUGZATOHBPXTDV-BYPYZUCNSA-N    		 CCC(C)[N+](=O)[O-]; CC[C@H](C)[N+]([O-])
    =O; CC[C@H](C)[N+](=O)[O-]; [O-][N+](=O)
    C(C)CC; CC[CH](C)[N+]([O-])=O    		 (2S)-2-NITROBUTANE
    30457
    NBU
    CHEMBL134702
    ZINC000008214510    		 2 C4 H10 InChI=1S/C4H10/c1-3-4-2/h
    3-4H2,1-2H3;
    IJDNQMDRQITEOD-UHFFFAOYSA-N    		 CCCC N-BUTANE
    30458
    NBV
    CHEMBL1029
    DB00419
    ZINC000003794711    		 3 C10 H21 N O4 InChI=1S/C10H21NO4/c1-2-3
    -4-11-5-8(13)10(15)9(14)7
    (11)6-12/h7-10,12-15H,2-6
    H2,1H3/t7-,8+,9-,10-/m1/s
    1;
    UQRORFVVSGFNRO-UTINFBMNSA-N    		 CCCCN1CC(C(C(C1CO)O)O)O; CCCCN1C[CH](O)[
    CH](O)[CH](O)[CH]1CO; OCC1N(CCCC)CC(O)C(
    O)C1O; CCCC[N@@]1C[C@@H]([C@H]([C@@H]([C
    @H]1CO)O)O)O; CCCCN1C[C@H](O)[C@@H](O)[C
    @H](O)[C@H]1CO    		 (2R,3R,4R,5S)-1-BUTYL-2-(HYDROXYMETHYL)PIPERIDINE-3,4,5-TRIOL
    30459
    NBW
    CHEMBL5275280    		 4 C23 H30 N8 O2 InChI=1S/C23H30N8O2/c1-23
    (9-10-23)33-20-19-17(5-6-
    18(26-19)21(32)29(2)3)27-
    22(28-20)25-15-13-24-31(1
    4-15)16-7-11-30(4)12-8-16
    /h5-6,13-14,16H,7-12H2,1-
    4H3,(H,25,27,28);
    LBHMENCKRXLUJV-UHFFFAOYSA-N    		 CC1(CC1)Oc2c3c(ccc(n3)C(=O)N(C)C)nc(n2)N
    c4cnn(c4)C5CCN(CC5)C; CN1CCC(CC1)n2cc(Nc
    3nc(OC4(C)CC4)c5nc(ccc5n3)C(=O)N(C)C)cn2    		 ~{N},~{N}-dimethyl-4-(1-methylcyclopropyl)oxy-2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]pyrido[3,2-d]pyrimidine-6-carboxamide
    30460
    NBX
    CHEMBL556336
    ZINC000038965470    		 1 C14 H19 N3 O7 InChI=1S/C14H19N3O7/c15-7
    -3-1-6(2-4-7)12(22)16-14(
    23)17-13-11(21)10(20)9(19
    )8(5-18)24-13/h1-4,8-11,1
    3,18-21H,5,15H2,(H2,16,17
    ,22,23)/t8-,9-,10+,11-,13
    -/m1/s1;
    PVSVRIIRRQSFIR-BZNQNGANSA-N    		 Nc1ccc(cc1)C(=O)NC(=O)N[C@@H]2O[C@H](CO)
    [C@@H](O)[C@H](O)[C@H]2O; c1cc(ccc1C(=O)
    NC(=O)N[C@H]2[C@@H]([C@H]([C@@H]([C@H](O
    2)CO)O)O)O)N; c1cc(ccc1C(=O)NC(=O)NC2C(C
    (C(C(O2)CO)O)O)O)N; Nc1ccc(cc1)C(=O)NC(=
    O)N[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O; O
    =C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc
    2    		 N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-D-glucosylamine;
    N-{[(4-aminophenyl)carbonyl]carbamoyl}-glucosylamine
    30461
    NBY
    CHEMBL554821
    ZINC000038965469    		 2 C14 H17 N3 O9 InChI=1S/C14H17N3O9/c18-5
    -8-9(19)10(20)11(21)13(26
    -8)16-14(23)15-12(22)6-1-
    3-7(4-2-6)17(24)25/h1-4,8
    -11,13,18-21H,5H2,(H2,15,
    16,22,23)/t8-,9-,10+,11-,
    13-/m1/s1;
    TXVZHPDFTXBTMX-BZNQNGANSA-N    		 c1cc(ccc1C(=O)NC(=O)N[C@H]2[C@@H]([C@H](
    [C@@H]([C@H](O2)CO)O)O)O)[N+](=O)[O-]; O
    C[CH]1O[CH](NC(=O)NC(=O)c2ccc(cc2)[N+]([
    O-])=O)[CH](O)[CH](O)[CH]1O; OC[C@H]1O[C
    @@H](NC(=O)NC(=O)c2ccc(cc2)[N+]([O-])=O)
    [C@H](O)[C@@H](O)[C@@H]1O; c1cc(ccc1C(=O
    )NC(=O)NC2C(C(C(C(O2)CO)O)O)O)[N+](=O)[O
    -]; O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc
    ([N+]([O-])=O)cc2    		 N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-D-glucosylamine;
    N-{[(4-nitrophenyl)carbonyl]carbamoyl}-glucosylamine
    30462
    NBZ
    CHEMBL15750
    ZINC000000896426    		 9 C6 H5 N O2 InChI=1S/C6H5NO2/c8-7(9)6
    -4-2-1-3-5-6/h1-5H;
    LQNUZADURLCDLV-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1; c1ccc(cc1)[N+](=O)
    [O-]    		 NITROBENZENE
    30463
    NC    		 0 C H5 N InChI=1/CH5N/c1-2/h2H2,1H
    3;
    BAVYZALUXZFZLV-UHFFFAOYAN    		 CN; NC METHYLAMINE GROUP
    30464
    NC0    		 5 C16 H14 N2 O3 InChI=1S/C16H14N2O3/c19-1
    5(20)12-6-2-3-7-13(12)17-
    16(21)18-10-9-11-5-1-4-8-
    14(11)18/h1-8H,9-10H2,(H,
    17,21)(H,19,20);
    SEVISWFLUIXPLQ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1NC(=O)N2CCc3ccccc23; O=C(O
    )c1ccccc1NC(=O)N1CCc2ccccc21; c1ccc2c(c1
    )CCN2C(=O)Nc3ccccc3C(=O)O    		 2-[(2,3-dihydro-1H-indole-1-carbonyl)amino]benzoic acid
    30465
    NC1
    DB04041    		 0 C24 H21 N5 O11 S2 InChI=1S/C24H23N5O11S2/c2
    5-16(22(31)32)10-40-24(35
    )20(26-18(30)9-15-2-1-7-4
    1-15)21-27-19(23(33)34)13
    (11-42-21)4-3-12-5-6-14(2
    8(36)37)8-17(12)29(38)39/
    h1-8,16,20-21,27H,9-11,25
    H2,(H,26,30)(H,31,32)(H,3
    3,34)/p-2/b4-3+/t16-,20-,
    21+/m0/s1;
    GPHOELDACAWWAE-DEKCOHRESA-L    		 c1cc(sc1)CC(=O)N[C@@H]([C@@H]2NC(=C(CS2)
    \C=C\c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])
    C(=O)[O-])C(=O)OC[C@@H](C(=O)[O-])N; N[C
    @@H](COC(=O)[C@@H](NC(=O)Cc1sccc1)[C@@H]
    2NC(=C(CS2)\C=C\c3ccc(cc3[N+]([O-])=O)[N
    +]([O-])=O)C([O-])=O)C([O-])=O; [O-]C(=O
    )C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(=C(N2
    )C([O-])=O)\C=C\c3ccc([N+]([O-])=O)cc3[N
    +]([O-])=O; N[CH](COC(=O)[CH](NC(=O)Cc1s
    ccc1)[CH]2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-
    ])=O)[N+]([O-])=O)C([O-])=O)C([O-])=O; c
    1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=Cc3ccc(cc
    3[N+](=O)[O-])[N+](=O)[O-])C(=O)[O-])C(=
    O)OCC(C(=O)[O-])N    		 NITROCEFIN ACYL-SERINE
    30466
    NC2    		 0 C24 H23 N5 O11 S2 InChI=1/C24H23N5O11S2/c25
    -16(22(31)32)10-40-24(35)
    20(26-18(30)9-15-2-1-7-41
    -15)21-27-19(23(33)34)13(
    11-42-21)4-3-12-5-6-14(28
    (36)37)8-17(12)29(38)39/h
    1-8,16,20-21,27H,9-11,25H
    2,(H,26,30)(H,31,32)(H,33
    ,34)/b4-3+/t16-,20-,21+/m
    0/s1/f/h26,31,33H;
    GPHOELDACAWWAE-LNPOAWELDM    		 O=C(O)C(N)COC(=O)C(NC(=O)Cc1sccc1)C2SCC(
    =C(N2)C(=O)O)\C=C\c3ccc([N+]([O-])=O)cc3
    [N+]([O-])=O; N[C@@H](COC(=O)[C@@H](NC(=
    O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc(c
    c3[N+]([O-])=O)[N+]([O-])=O)C(O)=O)C(O)=
    O; N[CH](COC(=O)[CH](NC(=O)Cc1sccc1)[CH]
    2NC(=C(CS2)C=Cc3ccc(cc3[N+]([O-])=O)[N+]
    ([O-])=O)C(O)=O)C(O)=O; c1cc(sc1)CC(=O)N
    [C@@H]([C@@H]2NC(=C(CS2)\C=C\c3ccc(cc3[N
    +](=O)[O-])[N+](=O)[O-])C(=O)O)C(=O)OC[C
    @@H](C(=O)O)N; c1cc(sc1)CC(=O)NC(C2NC(=C
    (CS2)C=Cc3ccc(cc3[N+](=O)[O-])[N+](=O)[O
    -])C(=O)O)C(=O)OCC(C(=O)O)N    		 NITROCEFIN ACYL-SERINE
    30467
    NC3
    CHEMBL66380
    DB08256
    ZINC000006691828    		 2 C9 H16 N2 O3 InChI=1S/C9H16N2O3/c12-8(
    13)6-10-9(14)11-7-4-2-1-3
    -5-7/h7H,1-6H2,(H,12,13)(
    H2,10,11,14);
    NVORCMBCUHQRDL-UHFFFAOYSA-N    		 OC(=O)CNC(=O)NC1CCCCC1; O=C(NC1CCCCC1)NC
    C(=O)O; C1CCC(CC1)NC(=O)NCC(=O)O    		 N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE;
    4-(3-CYCLOHEXYLURIEDO)-ETHANOIC ACID
    30468
    NC4
    CHEMBL219695
    DB08257
    ZINC000008754389    		 1 C11 H20 N2 O3 InChI=1S/C11H20N2O3/c14-1
    0(15)7-4-8-12-11(16)13-9-
    5-2-1-3-6-9/h9H,1-8H2,(H,
    14,15)(H2,12,13,16);
    WSVFRGGLURJIMG-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCC(=O)O; O=C(NC1CCCCC
    1)NCCCC(=O)O; OC(=O)CCCNC(=O)NC1CCCCC1    		 4-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}BUTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-BUTYRIC ACID
    30469
    NC5
    ZINC000026496496    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29+;
    ZWPUGYBFVBXUSX-ISILISOKSA-N    		 CC[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4ccc(c
    c4nc3c2)NC(=O)CC[N@@]5CCCC[C@@H]5CC; CC[
    C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=O)C
    CN5CCCC[C@@H]5CC)cc4nc3c2; O=C(Nc3cc2nc1
    cc(ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C
    (CC)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc
    4ccc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC
    1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CCN5CCCCC5CC    		 3-[(2R)-2-ethylpiperidin-1-yl]-N-[6-({3-[(2S)-2-ethylpiperidin-1-yl]propanoyl}amino)acridin-3-yl]propanamide
    30470
    NC6
    CHEMBL434374
    DB08258
    ZINC000013493677    		 1 C13 H24 N2 O3 InChI=1S/C13H24N2O3/c16-1
    2(17)9-5-2-6-10-14-13(18)
    15-11-7-3-1-4-8-11/h11H,1
    -10H2,(H,16,17)(H2,14,15,
    18);
    KFTVEPYSUSWBRD-UHFFFAOYSA-N    		 OC(=O)CCCCCNC(=O)NC1CCCCC1; C1CCC(CC1)NC
    (=O)NCCCCCC(=O)O; O=C(NC1CCCCC1)NCCCCCC(
    =O)O    		 6-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEXANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEXANOIC ACID
    30471
    NC7
    DB08259
    ZINC000013493757    		 1 C14 H26 N2 O3 InChI=1S/C14H26N2O3/c17-1
    3(18)10-6-1-2-7-11-15-14(
    19)16-12-8-4-3-5-9-12/h12
    H,1-11H2,(H,17,18)(H2,15,
    16,19);
    GYTIWWDVOFXKPF-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)NCCCCCCC(=O)O; O=C(NC1CC
    CCC1)NCCCCCCC(=O)O; OC(=O)CCCCCCNC(=O)NC
    1CCCCC1    		 7-{[(CYCLOHEXYLAMINO)CARBONYL]AMINO}HEPTANOIC ACID;
    4-(3-CYCLOHEXYLURIEDO)-HEPTANOIC ACID
    30472
    NC8    		 1 C30 H34 Br N4 O3 InChI=1S/C30H33BrN4O3/c31
    -26-7-5-25(6-8-26)30(37)3
    8-20-23-13-14-34-17-24(15
    -23)19-35(18-22-3-11-28(3
    3)12-4-22)29(36)16-21-1-9
    -27(32)10-2-21/h1-13,24,3
    4H,14-20,32-33H2/p+1/t24-
    /m1/s1;
    ILVATMQGTNYMLQ-XMMPIXPASA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)COC(=O)c4ccc(cc4)Br)N; Nc1ccc(CN
    (C[CH]2C[NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C
    2)C(=O)Cc4ccc(N)cc4)cc1; c1cc(ccc1CC(=O)
    N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO
    C(=O)c4ccc(cc4)Br)N; Nc1ccc(CN(C[C@H]2C[
    NH2+]CC=C(COC(=O)c3ccc(Br)cc3)C2)C(=O)Cc
    4ccc(N)cc4)cc1; Brc1ccc(cc1)C(=O)OCC4=CC
    [NH2+]CC(CN(C(=O)Cc2ccc(N)cc2)Cc3ccc(N)c
    c3)C4    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-{[(4-bromobenzoyl)oxy]methyl}-2,3,4,7-tetrahydro-1H-azepinium
    30473
    NC9    		 1 C23 H31 N4 O2 InChI=1S/C23H30N4O2/c24-2
    1-5-1-17(2-6-21)12-23(29)
    27(14-18-3-7-22(25)8-4-18
    )15-20-11-19(16-28)9-10-2
    6-13-20/h1-9,20,26,28H,10
    -16,24-25H2/p+1/t20-/m1/s
    1;
    WRSLWDODYIRHLE-HXUWFJFHSA-O    		 c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[
    NH2+]C3)CO)N; c1cc(ccc1CC(=O)N(Cc2ccc(cc
    2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N; O=C(N(C
    C1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(
    N)cc3; Nc1ccc(CN(C[C@H]2C[NH2+]CC=C(CO)C
    2)C(=O)Cc3ccc(N)cc3)cc1; Nc1ccc(CN(C[CH]
    2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1    		 (3R)-3-({(4-aminobenzyl)[(4-aminophenyl)acetyl]amino}methyl)-5-(hydroxymethyl)-2,3,4,7-tetrahydro-1H-azepinium
    30474
    NCA
    CHEMBL1140
    DB02701
    ZINC000000005878    		 153 C6 H6 N2 O InChI=1S/C6H6N2O/c7-6(9)5
    -2-1-3-8-4-5/h1-4H,(H2,7,
    9);
    DFPAKSUCGFBDDF-UHFFFAOYSA-N    		 c1cc(cnc1)C(=O)N; NC(=O)c1cccnc1; O=C(N)
    c1cccnc1    		 NICOTINAMIDE
    30475
    NCB
    DB04048
    ZINC000082071078    		 0 C4 H8 N2 O3 InChI=1S/C4H8N2O3/c1-2(3(
    7)8)6-4(5)9/h2H,1H3,(H,7,
    8)(H3,5,6,9)/t2-/m1/s1;
    LUSWEUMSEVLFEQ-UWTATZPHSA-N    		 CC(C(=O)O)NC(=O)N; C[C@@H](NC(N)=O)C(O)=
    O; C[C@H](C(=O)O)NC(=O)N; C[CH](NC(N)=O)
    C(O)=O; O=C(O)C(NC(=O)N)C    		 N-CARBAMOYL-ALANINE
    30476
    NCC
    CHEMBL1234647
    DB02485
    ZINC000008215638    		 13 C20 H31 N4 O16 P InChI=1S/C20H31N4O16P/c1-
    7(26)22-12-8(27)4-20(18(3
    2)33,39-16(12)13(29)9(28)
    5-25)40-41(35,36)37-6-10-
    14(30)15(31)17(38-10)24-3
    -2-11(21)23-19(24)34/h2-3
    ,8-10,12-17,25,27-31H,4-6
    H2,1H3,(H,22,26)(H,32,33)
    (H,35,36)(H2,21,23,34)/t8
    -,9+,10+,12+,13+,14+,15+,
    16+,17+,20+/m0/s1;
    TXCIAUNLDRJGJZ-BILDWYJOSA-N    		 CC(=O)N[C@@H]1[C@H](C[C@](O[C@H]1[C@@H](
    [C@@H](CO)O)O)(C(=O)O)O[P@@](=O)(O)OC[C@
    @H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)
    N)O)O)O; CC(=O)N[CH]1[CH](O)C[C](O[CH]1[
    CH](O)[CH](O)CO)(O[P](O)(=O)OC[CH]2O[CH]
    ([CH](O)[CH]2O)N3C=CC(=NC3=O)N)C(O)=O; O
    =C(NC1C(O)CC(OC1C(O)C(O)CO)(OP(=O)(O)OCC
    3OC(N2C(=O)N=C(N)C=C2)C(O)C3O)C(=O)O)C;
    CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)OP(=
    O)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)O)O)O;
    CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[C@H]1[C
    @H](O)[C@H](O)CO)(O[P@](O)(=O)OC[C@H]2O[
    C@H]([C@H](O)[C@@H]2O)N3C=CC(=NC3=O)N)C(
    O)=O    		 CYTIDINE-5'-MONOPHOSPHATE-5-N-ACETYLNEURAMINIC ACID
    30477
    NCD
    DB04252
    ZINC000000895230    		 35 C5 H8 N2 O5 InChI=1S/C5H8N2O5/c6-5(12
    )7-2(4(10)11)1-3(8)9/h2H,
    1H2,(H,8,9)(H,10,11)(H3,6
    ,7,12)/t2-/m0/s1;
    HLKXYZVTANABHZ-REOHCLBHSA-N    		 NC(=O)N[C@@H](CC(O)=O)C(O)=O; C([C@@H](C
    (=O)O)NC(=O)N)C(=O)O; O=C(O)C(NC(=O)N)CC
    (=O)O; C(C(C(=O)O)NC(=O)N)C(=O)O; NC(=O)
    N[CH](CC(O)=O)C(O)=O    		 N-CARBAMOYL-L-ASPARTATE
    30478
    NCE
    CHEMBL421143
    ZINC000026495604    		 0 C27 H33 N5 O4 InChI=1S/C27H33N5O4/c33-2
    6(5-7-31-9-13-35-14-10-31
    )28-22-3-1-20-17-21-2-4-2
    3(19-25(21)30-24(20)18-22
    )29-27(34)6-8-32-11-15-36
    -16-12-32/h1-4,17-19H,5-1
    6H2,(H,28,33)(H,29,34);
    PKCWQSROJQAQMV-UHFFFAOYSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCO
    CC4)CCN5CCOCC5; c1cc(cc2c1cc3ccc(cc3n2)N
    C(=O)CCN4CCOCC4)NC(=O)CCN5CCOCC5; O=C(CC
    N1CCOCC1)Nc2ccc3cc4ccc(NC(=O)CCN5CCOCC5)
    cc4nc3c2    		 3,6-Bis[(3-morpholinopropionamido)] acridine;
    N,N'-acridine-3,6-diylbis(3-morpholin-4-ylpropanamide)
    30479
    NCF    		 4 C13 H14 N2 O5 S2 InChI=1S/C13H14N2O5S2/c16
    -9(6-7-2-1-4-21-7)15-10(1
    3(19)20)11-14-8(12(17)18)
    3-5-22-11/h1-2,4,10-11H,3
    ,5-6H2,(H,15,16)(H,17,18)
    (H,19,20)/t10-,11+/m0/s1;
    LNPNJPUNJYVKHH-WDEREUQCSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2SCCC(=N2)
    C(O)=O; S1CCC(C(O)=O)=NC1C(C=O)NC(=O)Cc2
    cccs2; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2N=C
    (CCS2)C(=O)O)C(=O)O; c1cc(sc1)CC(=O)NC(C
    2N=C(CCS2)C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@H]2SCCC(=N2)C(O)=O    		 (2R)-2-{(1R)-2-OXO-1-[(2-THIENYLACETYL)AMINO]ETHYL}-5,6-DIHYDRO-2H-1,3-THIAZINE-4-CARBOXYLIC ACID;
    NITROCEFIN, open form without dinitrophenyl-ethenyl group;
    (2R)-2-[(1R)-2-oxo-1-{[(thiophen-2-yl)acetyl]amino}ethyl]-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    30480
    NCG
    ZINC000263620540    		 0 C45 H52 N4 O18 S InChI=1S/C45H52N4O18S/c1-
    18-11-21(62-4)13-23-22(18
    )5-7-29(50)33(23)42(59)66
    -38-37(67-43-34(47-3)36(5
    5)35(54)19(2)64-43)24-12-
    20-9-10-45(61,30-16-63-44
    (60)65-30)26(20)14-25(24)
    39(38)68-17-28(40(56)48-1
    5-32(52)53)49-31(51)8-6-2
    7(46)41(57)58/h5,7,9-14,1
    9,27-28,30,34-39,43,47,50
    ,54-55,61H,6,8,15-17,46H2
    ,1-4H3,(H,48,56)(H,49,51)
    (H,52,53)(H,57,58)/t19-,2
    7-,28+,30-,34-,35+,36-,37
    -,38+,39+,43-,45-/m1/s1;
    HZICOJKOTQKXNL-RKDHACFISA-N    		 O=C(O)C(N)CCC(=O)NC(C(=O)NCC(=O)O)CSC7c3
    cc1c(C=CC1(O)C2OC(=O)OC2)cc3C(OC4OC(C(O)
    C(O)C4NC)C)C7OC(=O)c6c5cc(OC)cc(c5ccc6O)
    C; Cc1cc(cc2c1ccc(c2C(=O)OC3C(c4cc5c(cc4
    C3SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C
    (C=C5)(C6COC(=O)O6)O)OC7C(C(C(C(O7)C)O)O
    )NC)O)OC; CN[C@@H]1[C@@H](O)[C@@H](O)[C@
    @H](C)O[C@@H]1O[C@H]2[C@H](OC(=O)c3c(O)c
    cc4c(C)cc(OC)cc34)[C@@H](SC[C@H](NC(=O)C
    C[C@@H](N)C(O)=O)C(=O)NCC(O)=O)c5cc6c(C=
    C[C@]6(O)[C@H]7COC(=O)O7)cc25; Cc1cc(cc2
    c1ccc(c2C(=O)O[C@H]3[C@@H](c4cc5c(cc4[C@
    @H]3SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H]
    (C(=O)O)N)[C@](C=C5)([C@H]6COC(=O)O6)O)O
    [C@@H]7[C@@H]([C@H]([C@H]([C@H](O7)C)O)O
    )NC)O)OC; CN[CH]1[CH](O)[CH](O)[CH](C)O[
    CH]1O[CH]2[CH](OC(=O)c3c(O)ccc4c(C)cc(OC
    )cc34)[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)
    C(=O)NCC(O)=O)c5cc6c(C=C[C]6(O)[CH]7COC(
    =O)O7)cc25    		 [(R)-4-((1,3-DIOXOLANE-2-OXY)-4-(S)-YL)-4-HYDROXY]-(R)-10-(2-METHYLAMINO-5-METHYL-2,6-DIDEOXYGALACTOPYRANOSYL-OXY)-(R)-11-(2-HYDROXY-5-METHYL-7-METHOXY-1-NAPHTHOYL-OXY)-(R)-12-S-GLUTATHIONYL-4,10,11,12-TETRAHYDROINDACENE;
    NCSI-GLU;
    NEOCARZINOSTATIN-GLUTATHIONE CHROMOPHORE
    30481
    NCH
    ZINC000004521729    		 2 C11 H18 N2 O6 P InChI=1S/C11H17N2O6P/c1-1
    3(2,3)8-9-18-20(16,17)19-
    11-6-4-10(5-7-11)12(14)15
    /h4-7H,8-9H2,1-3H3/p+1;
    NAIXASFEPQPICN-UHFFFAOYSA-O    		 C[N+](C)(C)CCOP(=O)(O)Oc1ccc(cc1)[N+](=O
    )[O-]; C[N+](C)(C)CCO[P@@](O)(=O)Oc1ccc(
    cc1)[N+]([O-])=O; [O-][N+](=O)c1ccc(OP(=
    O)(OCC[N+](C)(C)C)O)cc1; C[N+](C)(C)CCO[
    P@](=O)(O)Oc1ccc(cc1)[N+](=O)[O-]; C[N+]
    (C)(C)CCO[P](O)(=O)Oc1ccc(cc1)[N+]([O-])
    =O    		 P-NITROPHENYL-PHOSPHOCHOLINE
    30482
    NCI
    ZINC000058649857    		 0 C33 H45 N5 O2 InChI=1S/C33H45N5O2/c1-3-
    28-9-5-7-17-37(28)19-15-3
    2(39)34-26-13-11-24-21-25
    -12-14-27(23-31(25)36-30(
    24)22-26)35-33(40)16-20-3
    8-18-8-6-10-29(38)4-2/h11
    -14,21-23,28-29H,3-10,15-
    20H2,1-2H3,(H,34,39)(H,35
    ,40)/t28-,29-/m1/s1;
    ZWPUGYBFVBXUSX-FQLXRVMXSA-N    		 CC[C@@H]1CCCCN1CCC(=O)Nc2ccc3cc4ccc(NC(=
    O)CCN5CCCC[C@H]5CC)cc4nc3c2; CC[C@@H]1CC
    CC[N@]1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(
    =O)CC[N@@]5CCCC[C@H]5CC; O=C(Nc3cc2nc1cc
    (ccc1cc2cc3)NC(=O)CCN4C(CCCC4)CC)CCN5C(C
    C)CCCC5; CC[CH]1CCCCN1CCC(=O)Nc2ccc3cc4c
    cc(NC(=O)CCN5CCCC[CH]5CC)cc4nc3c2; CCC1C
    CCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)NC(=O
    )CCN5CCCCC5CC    		 3,6-Bis{3-[(2R)-(2-ethylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-ethylpiperidin-1-yl]propanamide}
    30483
    NCJ
    ZINC000058649859    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-3-5-15-35(22)17-13-30(
    37)32-26-11-9-24-19-25-10
    -12-27(21-29(25)34-28(24)
    20-26)33-31(38)14-18-36-1
    6-6-4-8-23(36)2/h9-12,19-
    23H,3-8,13-18H2,1-2H3,(H,
    32,37)(H,33,38)/t22-,23-/
    m1/s1;
    AFTOIBDEHJTNKF-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4C(C
    CCC4)C)CCN5C(C)CCCC5; C[CH]1CCCCN1CCC(=O
    )Nc2ccc3cc4ccc(NC(=O)CCN5CCCC[CH]5C)cc4n
    c3c2; C[C@@H]1CCCC[N@]1CCC(=O)Nc2ccc3cc4
    ccc(cc4nc3c2)NC(=O)CC[N@@]5CCCC[C@H]5C;
    CC1CCCCN1CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2)N
    C(=O)CCN5CCCCC5C; C[C@@H]1CCCCN1CCC(=O)N
    c2ccc3cc4ccc(NC(=O)CCN5CCCC[C@H]5C)cc4nc
    3c2    		 3,6-Bis{3-[(2R)-2-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(2R)-2-methylpiperidin-1-yl]propanamide}
    30484
    NCK
    CHEMBL309919
    ZINC000026488967    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -7-13-35(14-8-22)17-11-30
    (37)32-26-5-3-24-19-25-4-
    6-27(21-29(25)34-28(24)20
    -26)33-31(38)12-18-36-15-
    9-23(2)10-16-36/h3-6,19-2
    3H,7-18H2,1-2H3,(H,32,37)
    (H,33,38);
    BQDBDQOPOGFTHF-UHFFFAOYSA-N    		 CC1CCN(CC1)CCC(=O)Nc2ccc3cc4ccc(cc4nc3c2
    )NC(=O)CCN5CCC(CC5)C; CC1CCN(CC1)CCC(=O)
    Nc2ccc3cc4ccc(NC(=O)CCN5CCC(C)CC5)cc4nc3
    c2; O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN
    4CCC(CC4)C)CCN5CCC(C)CC5    		 3,6-Bis[3-(4-methylpiperidino)propionamido]acridine;
    N,N'-acridine-3,6-diylbis[3-(4-methylpiperidin-1-yl)propanamide]
    30485
    NCL
    ZINC000026498547    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c1-22
    -5-3-13-35(20-22)15-11-30
    (37)32-26-9-7-24-17-25-8-
    10-27(19-29(25)34-28(24)1
    8-26)33-31(38)12-16-36-14
    -4-6-23(2)21-36/h7-10,17-
    19,22-23H,3-6,11-16,20-21
    H2,1-2H3,(H,32,37)(H,33,3
    8)/t22-,23-/m1/s1;
    JGEGKUSUCAFTEW-DHIUTWEWSA-N    		 O=C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCC
    C(C4)C)CCN5CCCC(C)C5; C[C@@H]1CCCN(CCC(=
    O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C@@H](C)C5
    )cc4nc3c2)C1; CC1CCCN(C1)CCC(=O)Nc2ccc3c
    c4ccc(cc4nc3c2)NC(=O)CCN5CCCC(C5)C; C[C@
    @H]1CCC[N@](C1)CCC(=O)Nc2ccc3cc4ccc(cc4n
    c3c2)NC(=O)CC[N@]5CCC[C@H](C5)C; C[CH]1C
    CCN(CCC(=O)Nc2ccc3cc4ccc(NC(=O)CCN5CCC[C
    H](C)C5)cc4nc3c2)C1    		 3,6-Bis{3-(3-[(3R)-methylpiperidino)]propionamido}acridine;
    N,N'-acridine-3,6-diylbis{3-[(3R)-3-methylpiperidin-1-yl]propanamide}
    30486
    NCM
    DB03540
    ZINC000001693941    		 1 C7 H10 O InChI=1S/C7H10O/c8-7-4-5-
    1-2-6(7)3-5/h5-6H,1-4H2/t
    5-,6+/m0/s1;
    KPMKEVXVVHNIEY-NTSWFWBYSA-N    		 C1CC2CC1CC2=O; O=C1C[CH]2CC[CH]1C2; O=C1
    CC2CC1CC2; O=C1C[C@H]2CC[C@@H]1C2; C1C[C
    @@H]2C[C@H]1CC2=O    		 NORCAMPHOR
    30487
    NCN
    DB02382    		 49 C11 H14 N O9 P InChI=1S/C11H14NO9P/c13-8
    -7(5-20-22(17,18)19)21-10
    (9(8)14)12-3-1-2-6(4-12)1
    1(15)16/h1-4,7-10,13-14H,
    5H2,(H2-,15,16,17,18,19)/
    t7-,8-,9-,10-/m1/s1;
    JOUIQRNQJGXQDC-ZYUZMQFOSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)(O)[O-])
    O)O)C(=O)O; [O-]P(=O)(O)OCC2OC([n+]1cc(c
    cc1)C(=O)O)C(O)C2O; c1cc(c[n+](c1)[C@H]2
    [C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)[O-
    ])O)O)C(=O)O; O[CH]1[CH](O)[CH](O[CH]1CO
    [P](O)([O-])=O)[n+]2cccc(c2)C(O)=O; O[C@
    H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)([O-]
    )=O)[n+]2cccc(c2)C(O)=O    		 NICOTINATE MONONUCLEOTIDE;
    NAMN
    30488
    NCO
    DB03350    		 0 Co H18 N6 InChI=1S/Co.6H3N/h;6*1H3/
    q+3;;;;;;;
    DYLMFCCYOUSRTK-UHFFFAOYSA-N    		 [NH3][Co+3]([NH3])([NH3])([NH3])([NH3])[
    NH3]; N.N.N.N.N.N.[Co+3]    		 COBALT HEXAMMINE(III)
    30489
    NCP    		 0 Cl2 H4 N2 Pt InChI=1S/2ClH.2H2N.Pt/h2*
    1H;2*1H2;/q;;2*-1;+4/p-2;
    DQLATGHUWYMOKM-UHFFFAOYSA-L    		 Cl[Pt](Cl)(N)N; N[Pt](N)(Cl)Cl CIS-DIAMINODICHLOROPLATINUM
    30490
    NCQ
    CHEMBL82008
    ZINC000013557558    		 0 C31 H41 N5 O2 InChI=1S/C31H41N5O2/c37-3
    0(13-19-35-15-5-1-2-6-16-
    35)32-26-11-9-24-21-25-10
    -12-27(23-29(25)34-28(24)
    22-26)33-31(38)14-20-36-1
    7-7-3-4-8-18-36/h9-12,21-
    23H,1-8,13-20H2,(H,32,37)
    (H,33,38);
    MSWYQCALXGGGBX-UHFFFAOYSA-N    		 c1cc(cc2c1cc3ccc(cc3n2)NC(=O)CCN4CCCCCC4
    )NC(=O)CCN5CCCCCC5; O=C(CCN1CCCCCC1)Nc2c
    cc3cc4ccc(NC(=O)CCN5CCCCCC5)cc4nc3c2; O=
    C(Nc3cc2nc1cc(ccc1cc2cc3)NC(=O)CCN4CCCCC
    C4)CCN5CCCCCC5    		 3,6-Bis[3-(azepan-1-yl)propionamido]acridine;
    N,N'-acridine-3,6-diylbis(3-azepan-1-ylpropanamide)
    30491
    NCR
    CHEMBL1234658
    DB04110
    ZINC000020230664    		 2 C7 H7 N O3 InChI=1S/C7H7NO3/c1-5-2-3
    -7(9)6(4-5)8(10)11/h2-4,9
    H,1H3;
    SYDNSSSQVSOXTN-UHFFFAOYSA-N    		 O=[N+]([O-])c1cc(ccc1O)C; Cc1ccc(c(c1)[N
    +](=O)[O-])O; Cc1ccc(O)c(c1)[N+]([O-])=O    		 2-NITRO-P-CRESOL
    30492
    NCS    		 0 C35 H36 N O12 InChI=1S/C35H35NO12/c1-14
    -9-17(43-4)11-22-18(14)5-
    6-23(37)35(22)25-19-12-21
    -16(7-8-34(21,42)24-13-44
    -33(41)46-24)10-20(19)29(
    30(25)48-32(35)40)47-31-2
    6(36-3)28(39)27(38)15(2)4
    5-31/h5-12,15,24-31,36,38
    -39,42H,13H2,1-4H3/p+1/t1
    5-,24-,25-,26-,27+,28-,29
    -,30-,31-,34-,35+/m1/s1;
    OBDNPHCYNBAIOJ-KDIFMUJMSA-O    		 C[NH2+][C@@H]1[C@@H](O)[C@@H](O)[C@@H](C
    )O[C@@H]1O[C@H]2[C@@H]3OC(=O)[C@]4([C@@H
    ]3c5cc6c(C=C[C@]6(O)[C@H]7COC(=O)O7)cc25
    )C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c1C=
    CC(=O)C23C4c5cc6c(cc5C(C4OC3=O)OC7C(C(C(
    C(O7)C)O)O)[NH2+]C)C=CC6(C8COC(=O)O8)O)O
    C; O=C1OCC(O1)C3(O)c2cc7c(cc2C=C3)C(OC4O
    C(C(O)C(O)C4[NH2+]C)C)C8OC(=O)C6(c5cc(OC
    )cc(c5C=CC6=O)C)C78; C[NH2+][CH]1[CH](O)
    [CH](O)[CH](C)O[CH]1O[CH]2[CH]3OC(=O)[C]
    4([CH]3c5cc6c(C=C[C]6(O)[CH]7COC(=O)O7)c
    c25)C(=O)C=Cc8c(C)cc(OC)cc48; Cc1cc(cc2c
    1C=CC(=O)[C@]23[C@@H]4c5cc6c(cc5[C@H]([C
    @@H]4OC3=O)O[C@@H]7[C@@H]([C@H]([C@H]([C
    @H](O7)C)O)O)[NH2+]C)C=C[C@@]6([C@H]8COC
    (=O)O8)O)OC
    30493
    NCT
    CHEMBL3
    DB00184
    ZINC000000391812    		 101 C10 H14 N2 InChI=1S/C10H14N2/c1-12-7
    -3-5-10(12)9-4-2-6-11-8-9
    /h2,4,6,8,10H,3,5,7H2,1H3
    /t10-/m0/s1;
    SNICXCGAKADSCV-JTQLQIEISA-N    		 C[N@@]1CCC[C@H]1c2cccnc2; n1cc(ccc1)C2N(
    C)CCC2; CN1CCC[C@H]1c2cccnc2; CN1CCCC1c2
    cccnc2; CN1CCC[CH]1c2cccnc2    		 (S)-3-(1-METHYLPYRROLIDIN-2-YL)PYRIDINE;
    (S)-(-)-NICOTINE;
    3-[(2S)-1-METHYL-2-PYRROLIDINYL] PYRIDINE
    30494
    NCU
    ZINC000263620791    		 0 C12 H19 N4 O8 P InChI=1S/C12H19N4O8P/c1-6
    -3-16(11(18)14-9(6)13)10-
    7-8(17)12(23-10,4-15(2)24
    -7)5-22-25(19,20)21/h3,7-
    8,10,17H,4-5H2,1-2H3,(H2,
    13,14,18)(H2,19,20,21)/t7
    -,8+,10-,12-/m1/s1;
    NFVTVBMMWKQGEV-UJYYTQATSA-N    		 CN1C[C]2(CO[P](O)(O)=O)O[CH]([CH](O1)[CH
    ]2O)N3C=C(C)C(=NC3=O)N; CN1C[C@]2(CO[P](
    O)(O)=O)O[C@H]([C@H](O1)[C@@H]2O)N3C=C(C
    )C(=NC3=O)N; O=C1N=C(N)C(=CN1C3OC2(C(O)C
    3ON(C)C2)COP(=O)(O)O)C; CC1=CN(C(=O)N=C1
    N)C2C3C(C(O2)(CN(O3)C)COP(=O)(O)O)O; CC1
    =CN(C(=O)N=C1N)[C@H]2[C@H]3[C@@H]([C@@](
    O2)(CN(O3)C)COP(=O)(O)O)O    		 [(1R,5R,7R,8S)-7-(4-amino-5-methyl-2-oxopyrimidin-1(2H)-yl)-8-hydroxy-3-methyl-2,6-dioxa-3-azabicyclo[3.2.1]oct-5-yl]methyl dihydrogen phosphate
    30495
    NCV
    ZINC000058650795    		 2 C10 H16 N2 O4 InChI=1S/C10H16N2O4/c1-6-
    8(3-7(4-13)5-14)12(2)10(1
    6)11-9(6)15/h7,13-14H,3-5
    H2,1-2H3,(H,11,15,16);
    FMPCUJIPAJPVKR-UHFFFAOYSA-N    		 CN1C(=O)NC(=O)C(=C1CC(CO)CO)C; CC1=C(N(C
    (=O)NC1=O)C)CC(CO)CO; O=C1C(=C(N(C(=O)N1
    )C)CC(CO)CO)C    		 N-Methyl-6-(1,3-dihydroxy-isobutyl)thymine;
    6-[3-hydroxy-2-(hydroxymethyl)propyl]-1,5-dimethylpyrimidine-2,4(1H,3H)-dione;
    N-methyl-DHBT
    30496
    NCW
    DB08260
    ZINC000053683045    		 2 C15 H28 N2 O4 S InChI=1S/C15H28N2O4S/c1-2
    -3-4-5-6-7-8-16-15(22)17-
    10-9-21-14(17)13(20)12(19
    )11(10)18/h10-14,18-20H,2
    -9H2,1H3,(H,16,22)/t10-,1
    1+,12-,13+,14+/m0/s1;
    LFSNQOFOMJLHIW-MEBFFEOJSA-N    		 CCCCCCCCNC(=S)N1[C@H]2CO[C@@H]1[C@H](O)[
    C@@H](O)[C@@H]2O; CCCCCCCCNC(=S)N1[C@H]2
    CO[C@@H]1[C@@H]([C@H]([C@@H]2O)O)O; CCCC
    CCCCNC(=S)N1[CH]2CO[CH]1[CH](O)[CH](O)[C
    H]2O; CCCCCCCCNC(=S)N1C2COC1C(C(C2O)O)O;
    S=C(N2C1C(O)C(O)C(O)C2OC1)NCCCCCCCC    		 (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide
    30497
    NCX
    ZINC000058649829    		 0 C14 H16 N3 O9 P InChI=1S/C14H16N3O9P/c15-
    14(19)9-5-16(10-2-1-7(17(
    20)21)3-8(9)10)13-4-11(18
    )12(26-13)6-25-27(22,23)2
    4/h1-3,5,11-13,18H,4,6H2,
    (H2,15,19)(H2,22,23,24)/t
    11-,12+,13+/m0/s1;
    AWLFWQPJPLUSDJ-YNEHKIRRSA-N    		 [O-][N+](=O)c2cc1c(cn(c1cc2)C3OC(C(O)C3)
    COP(=O)(O)O)C(=O)N; NC(=O)c1cn([CH]2C[CH
    ](O)[CH](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+
    ]([O-])=O; NC(=O)c1cn([C@H]2C[C@H](O)[C@
    @H](CO[P](O)(O)=O)O2)c3ccc(cc13)[N+]([O-
    ])=O; c1cc2c(cc1[N+](=O)[O-])c(cn2[C@H]3
    C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N; c
    1cc2c(cc1[N+](=O)[O-])c(cn2C3CC(C(O3)COP
    (=O)(O)O)O)C(=O)N    		 1-(2-DEOXY-5-O-PHOSPHONO-BETA-D-ERYTHRO-PENTOFURANOSYL)-5-NITRO-1H-INDOLE-3-CARBOXAMIDE
    30498
    NCY
    ZINC000004280685    		 0 C4 H9 N O2 S InChI=1S/C4H9NO2S/c1-5-3(
    2-8)4(6)7/h3,5,8H,2H2,1H3
    ,(H,6,7)/t3-/m0/s1;
    DVOOXRTYGGLORL-VKHMYHEASA-N    		 CNC(CS)C(=O)O; CN[C@@H](CS)C(O)=O; CN[CH
    ](CS)C(O)=O; CN[C@@H](CS)C(=O)O; O=C(O)C
    (NC)CS    		 N-METHYLCYSTEINE
    30499
    NCZ
    CHEMBL291386
    DB08261
    ZINC000100036551    		 1 C18 H18 O6 InChI=1S/C18H18O6/c1-9-7-
    10(23-2)8-12-11(9)3-4-13(
    19)16(12)18(22)24-17-14(2
    0)5-6-15(17)21/h3-8,14-15
    ,17,19-21H,1-2H3/t14-,15+
    ,17+;
    XILHLKXLRFUQFI-QLPKVWCKSA-N    		 COc1cc(C)c2ccc(O)c(C(=O)O[C@H]3[C@H](O)C
    =C[C@@H]3O)c2c1; Cc1cc(cc2c1ccc(c2C(=O)O
    C3[C@H](C=C[C@H]3O)O)O)OC; O=C(OC1C(O)C=
    CC1O)c3c2cc(OC)cc(c2ccc3O)C; Cc1cc(cc2c1
    ccc(c2C(=O)OC3C(C=CC3O)O)O)OC; COc1cc(C)
    c2ccc(O)c(C(=O)O[CH]3[CH](O)C=C[CH]3O)c2
    c1    		 2-HYDROXY-7-METHOXY-5-METHYL-NAPHTHALENE-1-CARBOXYLIC ACID MESO-2,5-DIHYDROXY-CYCLOPENT-3-ENYL ESTER
    30500
    ND    		 6 Nd InChI=1S/Nd/q+3;
    UYIXUPGBIXNDHN-UHFFFAOYSA-N    		 [Nd+3] Neodymium Ion
    30501
    ND1    		 2 C30 H29 F4 N5 O2 InChI=1S/C30H29F4N5O2/c1-
    39(2)27(40)9-6-14-35-15-1
    6-41-26-13-11-22(19-36-26
    )28(21-10-12-25-23(17-21)
    29(31)38-37-25)24(18-30(3
    2,33)34)20-7-4-3-5-8-20/h
    3-13,17,19,35H,14-16,18H2
    ,1-2H3,(H,37,38)/b9-6?,28
    -24-;
    JPFTZIJTXCHJNE-LTZHIIGJSA-N    		 CN(C)C(=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F
    )F)c2ccccc2)c3ccc4c(c3)c([nH]n4)F; CN(C)
    C(=O)C=CCNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)
    \c2ccccc2)/c3ccc4c(c3)c([nH]n4)F; CN(C)C
    (=O)C=CCNCCOc1ccc(cn1)C(=C(CC(F)(F)F)c2c
    cccc2)c3ccc4n[nH]c(F)c4c3; c1cc(cnc1OCCN
    C[C@H]=[C@H]C(N(C)C)=O)\C(=C(/c2ccccc2)C
    C(F)(F)F)c4cc3c(F)nnc3cc4; CN(C)C(=O)\C=
    C/CNCCOc1ccc(cn1)/C(=C(/CC(F)(F)F)c2cccc
    c2)c3ccc4n[nH]c(F)c4c3    		 (2Z)-N,N-dimethyl-4-{[2-({5-[(1Z)-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)-2-phenylbut-1-en-1-yl]pyridin-2-yl}oxy)ethyl]amino}but-2-enamide
    30502
    ND2
    CHEMBL5266181    		 4 C24 H29 N9 O InChI=1S/C24H29N9O/c1-24(
    8-9-24)34-22-21-20(5-4-19
    (28-21)16-12-25-32(3)14-1
    6)29-23(30-22)27-17-13-26
    -33(15-17)18-6-10-31(2)11
    -7-18/h4-5,12-15,18H,6-11
    H2,1-3H3,(H,27,29,30);
    WGMWEVJCHUDPID-UHFFFAOYSA-N    		 CN1CCC(CC1)n2cc(Nc3nc(OC4(C)CC4)c5nc(ccc
    5n3)c6cnn(C)c6)cn2; CC1(CC1)Oc2c3c(ccc(n
    3)c4cnn(c4)C)nc(n2)Nc5cnn(c5)C6CCN(CC6)C    		 4-(1-methylcyclopropyl)oxy-~{N}-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrido[3,2-d]pyrimidin-2-amine
    30503
    ND3
    ZINC000230505609    		 1 C9 H14 O6 InChI=1S/C9H14O6/c1-8(2)6
    (12)5(11)4(10)3-9(8,15)7(
    13)14/h4-5,10-11,15H,3H2,
    1-2H3,(H,13,14)/t4-,5+,9+
    /m1/s1;
    FWOMLGVRVSLROK-YZNMAWMESA-N    		 CC1(C(=O)C(C(CC1(C(=O)O)O)O)O)C; O=C1C(C
    (O)(C(=O)O)CC(O)C1O)(C)C; CC1(C(=O)[C@H]
    ([C@@H](C[C@@]1(C(=O)O)O)O)O)C; CC1(C)C(
    =O)[CH](O)[CH](O)C[C]1(O)C(O)=O; CC1(C)C
    (=O)[C@@H](O)[C@H](O)C[C@]1(O)C(O)=O    		 2,2-dimethyl-3-dehydroquinic acid
    30504
    ND4    		 3 N InChI=1S/H3N/h1H3/p+1/i/h
    D4;
    QGZKDVFQNNGYKY-JBISRTOLSA-O    		 [N+]([2H])([2H])([2H])[2H]; [2H][N+]([2H
    ])([2H])[2H]    		 AMMONIUM CATION WITH D
    30505
    ND5
    CHEMBL4795232    		 2 C10 H9 Br2 N O4 InChI=1S/C10H9Br2NO4/c11-
    7-3-6(10(16)8(12)4-7)5-13
    -17-2-1-9(14)15/h3-5,16H,
    1-2H2,(H,14,15)/b13-5+;
    VPPGEQCITQLSNE-WLRTZDKTSA-N    		 OC(=O)CCON=Cc1cc(Br)cc(Br)c1O; c1c(cc(c(
    c1C=NOCCC(=O)O)O)Br)Br; OC(=O)CCO\N=C\c1
    cc(Br)cc(Br)c1O; c1c(cc(c(c1/C=N/OCCC(=O
    )O)O)Br)Br    		 3-[(~{E})-[3,5-bis(bromanyl)-2-oxidanyl-phenyl]methylideneamino]oxypropanoic acid
    30506
    ND6    		 1 C20 H23 N5 O2 InChI=1S/C20H23N5O2/c1-15
    (14-26)17-4-2-16(3-5-17)1
    2-20(27)25-10-8-24(9-11-2
    5)19-7-6-18(13-21)22-23-1
    9/h2-7,15,26H,8-12,14H2,1
    H3/t15-/m0/s1;
    YTRLPBJDLDKLMQ-HNNXBMFYSA-N    		 O=C(Cc1ccc(cc1)C(C)CO)N1CCN(CC1)c1ccc(C#
    N)nn1; C[C@@H](CO)c1ccc(cc1)CC(=O)N2CCN(
    CC2)c3ccc(nn3)C#N; C[C@@H](CO)c1ccc(CC(=
    O)N2CCN(CC2)c3ccc(nn3)C#N)cc1; CC(CO)c1c
    cc(cc1)CC(=O)N2CCN(CC2)c3ccc(nn3)C#N; C[
    CH](CO)c1ccc(CC(=O)N2CCN(CC2)c3ccc(nn3)C
    #N)cc1    		 6-[4-({4-[(2R)-1-hydroxypropan-2-yl]phenyl}acetyl)piperazin-1-yl]pyridazine-3-carbonitrile
    30507
    ND7
    CHEMBL583986
    ZINC000004096224    		 2 C10 H15 N6 O6 P InChI=1S/C10H15N6O6P/c11-
    8-5-9(14-2-13-8)16(3-15-5
    )10-7(18)6(17)4(22-10)1-2
    1-23(12,19)20/h2-4,6-7,10
    ,17-18H,1H2,(H2,11,13,14)
    (H3,12,19,20)/t4-,6-,7-,1
    0-/m1/s1;
    LDEMREUBLBGZBO-KQYNXXCUSA-N    		 c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(N)O
    )O)O)N; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO
    [P](N)(O)=O)[C@@H](O)[C@H]3O; c1nc(c2c(n
    1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP
    (=O)(N)O)O)O)N; Nc1ncnc2n(cnc12)[CH]3O[C
    H](CO[P](N)(O)=O)[CH](O)[CH]3O; OP(OCC3C
    (C(O)C(n1cnc2c1ncnc2N)O3)O)(=O)N    		 5'-O-[(S)-amino(hydroxy)phosphoryl]adenosine
    30508
    ND8
    CHEMBL312607
    ZINC000000042511    		 3 C9 H6 O2 S InChI=1S/C9H6O2S/c10-9(11
    )8-5-6-3-1-2-4-7(6)12-8/h
    1-5H,(H,10,11);
    DYSJMQABFPKAQM-UHFFFAOYSA-N    		 c1ccc2c(c1)cc(s2)C(=O)O; OC(=O)c1sc2cccc
    c2c1    		 benzothiophene 2 carboxylic acid
    30509
    ND9    		 1 C21 H30 Cl N3 O3 InChI=1S/C21H30ClN3O3/c22
    -14-19(26)24-15-16-8-12-2
    5(13-9-16)20(27)21(10-6-1
    7(23)7-11-21)28-18-4-2-1-
    3-5-18/h1-5,16-17H,6-15,2
    3H2,(H,24,26)/t17-,21-;
    KYZPVSMGBRSVOQ-CYWCHRQTSA-N    		 N[C@@H]1CC[C@](CC1)(Oc2ccccc2)C(=O)N3CC[
    C@H](CC3)CNC(=O)CCl; N[CH]1CC[C](CC1)(Oc
    2ccccc2)C(=O)N3CC[CH](CC3)CNC(=O)CCl; c1
    ccc(cc1)OC2(CCC(CC2)N)C(=O)N3CCC(CC3)CNC
    (=O)CCl    		 N-[[1-(4-azanyl-1-phenoxy-cyclohexyl)carbonylpiperidin-4-yl]methyl]-2-chloranyl-ethanamide
    30510
    NDA
    DB03797    		 1 C21 H29 N7 O13 P2 InChI=1S/C21H29N7O13P2/c2
    2-4-10-2-1-3-27(5-10)20-1
    6(31)14(29)11(39-20)6-37-
    42(33,34)41-43(35,36)38-7
    -12-15(30)17(32)21(40-12)
    28-9-26-13-18(23)24-8-25-
    19(13)28/h1-3,5,8-9,11-12
    ,14-17,20-21,29-32H,4,6-7
    ,22H2,(H3-,23,24,25,33,34
    ,35,36)/t11-,12-,14-,15-,
    16-,17-,20-,21-/m1/s1;
    HMCRLFVYYFBZEZ-PLEFRAQWSA-N    		 NCc1ccc[n+](c1)[C@@H]2O[C@H](CO[P]([O-])
    (=O)O[P@](O)(=O)OC[C@H]3O[C@H]([C@H](O)[
    C@@H]3O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2
    O; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-]
    )OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)
    O)O)O)CN; c1cc(c[n+](c1)[C@H]2[C@@H]([C@
    @H]([C@H](O2)CO[P@@](=O)([O-])O[P@@](=O)
    (O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5
    c4ncnc5N)O)O)O)O)CN; NCc1ccc[n+](c1)[CH]
    2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3
    O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH
    ](O)[CH]2O    		 3-AMINOMETHYL-PYRIDINIUM-ADENINE-DINUCLEOTIDE
    30511
    NDB
    ZINC000002379127    		 2 C7 H18 N O4 S InChI=1S/C7H17NO4S/c1-8(2
    ,5-6-9)4-3-7-13(10,11)12/
    h9H,3-7H2,1-2H3/p+1;
    CNXPCGBLGHKAIL-UHFFFAOYSA-O    		 C[N+](C)(CCCS(=O)(=O)O)CCO; C[N+](C)(CCO
    )CCC[S](O)(=O)=O; O=S(=O)(O)CCC[N+](C)(C
    CO)C    		 N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium
    30512
    NDC
    DB03168    		 1 C27 H35 N7 O15 P2 InChI=1S/C27H35N7O15P2/c2
    8-23-18-25(31-10-30-23)34
    (11-32-18)27-22(39)20(37)
    17(48-27)9-46-51(43,44)49
    -50(41,42)45-8-16-19(36)2
    1(38)26(47-16)33-6-5-12(1
    4(7-33)24(29)40)13-3-1-2-
    4-15(13)35/h5-7,10-11,13,
    16-17,19-22,26-27,36-39H,
    1-4,8-9H2,(H5-,28,29,30,3
    1,40,41,42,43,44)/t13-,16
    +,17+,19+,20+,21+,22+,26+
    ,27+/m0/s1;
    HTFHWJHTWKCYLR-RINXRSLZSA-N    		 c1c[n+](cc(c1[C@@H]2CCCCC2=O)C(=O)N)[C@H
    ]3[C@@H]([C@@H]([C@H](O3)COP(=O)([O-])O[
    P@@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O
    4)n5cnc6c5ncnc6N)O)O)O)O; NC(=O)c1c[n+](
    ccc1[CH]2CCCCC2=O)[CH]3O[CH](CO[P]([O-])
    (=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4
    O)n5cnc6c(N)ncnc56)[CH](O)[CH]3O; c1c[n+
    ](cc(c1C2CCCCC2=O)C(=O)N)C3C(C(C(O3)COP(
    =O)([O-])OP(=O)(O)OCC4C(C(C(O4)n5cnc6c5n
    cnc6N)O)O)O)O; NC(=O)c1c[n+](ccc1[C@@H]2
    CCCCC2=O)[C@@H]3O[C@H](CO[P]([O-])(=O)O[
    P](O)(=O)OC[C@H]4O[C@H]([C@H](O)[C@@H]4O
    )n5cnc6c(N)ncnc56)[C@@H](O)[C@H]3O    		 NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE
    30513
    NDD
    CHEMBL1205452
    DB08262
    ZINC000000156288    		 1 C12 H8 O4 InChI=1S/C12H8O4/c13-11(1
    4)9-3-1-7-5-10(12(15)16)4
    -2-8(7)6-9/h1-6H,(H,13,14
    )(H,15,16);
    RXOHFPCZGPKIRD-UHFFFAOYSA-N    		 c1cc(cc2c1cc(cc2)C(=O)O)C(=O)O; O=C(O)c1
    ccc2c(c1)ccc(C(=O)O)c2; OC(=O)c1ccc2cc(c
    cc2c1)C(O)=O    		 2,6-DICARBOXYNAPHTHALENE
    30514
    NDE    		 2 C24 H32 N7 O20 P3 InChI=1S/C24H32N7O20P3/c2
    5-20-14-22(28-7-27-20)31(
    8-29-14)24-19(37)17(35)13
    (50-24)6-48-54(44,45)51-5
    3(42,43)47-5-12-16(34)18(
    36)23(49-12)30-2-1-9(10(3
    -30)21(26)38)15(33)11(32)
    4-46-52(39,40)41/h1-3,7-8
    ,12-13,15-19,23-24,33-37H
    ,4-6H2,(H7-,25,26,27,28,3
    8,39,40,41,42,43,44,45)/t
    12-,13-,15?,16-,17-,18-,1
    9-,23-,24-/m1/s1;
    IVZPTIKSOMOSEU-WPIGAQFXSA-N    		 NC(=O)c1c[n+](ccc1[C@@H](O)C(=O)CO[P](O)
    (O)=O)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P@]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1c[n+
    ](cc(c1[C@H](C(=O)COP(=O)(O)O)O)C(=O)N)[
    C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(
    [O-])O[P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([
    C@@H](O3)n4cnc5c4ncnc5N)O)O)O)O; NC(=O)c
    1c[n+](ccc1[CH](O)C(=O)CO[P](O)(O)=O)[CH
    ]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]
    3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[C
    H](O)[CH]2O; c1c[n+](cc(c1C(C(=O)COP(=O)
    (O)O)O)C(=O)N)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)O
    )O    		 ADENOSINE 5'-(TRIHYDROGEN DIPHOSPHATE) P'-5'-ESTER WITH 3-(AMINOCARBONYL)-4-(1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPYL)-1-BETA-D-RIBOFURANOSYLPYRIDINIUM INNER SALT;
    NAD WITH (1-HYDROXYL-2-OXO-3-PHOSPHONOOXY-PROPANE)
    30515
    NDF
    CHEMBL486146
    DB08263
    ZINC000026637924    		 4 C11 H11 N O5 InChI=1S/C11H11NO5/c13-9(
    11(16)17)12-8(10(14)15)6-
    7-4-2-1-3-5-7/h1-5,8H,6H2
    ,(H,12,13)(H,14,15)(H,16,
    17)/t8-/m1/s1;
    ULQWGBCNOHBNDB-MRVPVSSYSA-N    		 OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(O)=O; O=C
    (O)C(=O)NC(C(=O)O)Cc1ccccc1; OC(=O)[CH](
    Cc1ccccc1)NC(=O)C(O)=O; c1ccc(cc1)CC(C(=
    O)O)NC(=O)C(=O)O; c1ccc(cc1)C[C@H](C(=O)
    O)NC(=O)C(=O)O    		 N-(CARBOXYCARBONYL)-D-PHENYLALANINE
    30516
    NDG
    CHEMBL1234669
    DB03740
    ZINC000003860151    		 0 C8 H15 N O6 InChI=1S/C8H15NO6/c1-3(11
    )9-5-7(13)6(12)4(2-10)15-
    8(5)14/h4-8,10,12-14H,2H2
    ,1H3,(H,9,11)/t4-,5-,6-,7
    -,8+/m1/s1;
    OVRNDRQMDRJTHS-PVFLNQBWSA-N    		 CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1
    O; CC(=O)N[C@H]1[C@@H](O)O[C@H](CO)[C@@H
    ](O)[C@@H]1O; O=C(NC1C(O)C(O)C(OC1O)CO)C
    ; CC(=O)NC1C(C(C(OC1O)CO)O)O; CC(=O)N[C@
    @H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O    		 2-acetamido-2-deoxy-alpha-D-glucopyranose;
    N-acetyl-alpha-D-glucosamine;
    2-acetamido-2-deoxy-alpha-D-glucose;
    2-acetamido-2-deoxy-D-glucose;
    2-acetamido-2-deoxy-glucose;
    2-(ACETYLAMINO)-2-DEOXY-A-D-GLUCOPYRANOSE
    30517
    NDH
    DB08264
    ZINC000000388541    		 1 C10 H10 O2 InChI=1S/C10H10O2/c11-9-6
    -5-7-3-1-2-4-8(7)10(9)12/
    h1-6,9-12H/t9-,10+/m0/s1;
    QPUHWUSUBHNZCG-VHSXEESVSA-N    		 O[CH]1C=Cc2ccccc2[CH]1O; O[C@H]1C=Cc2ccc
    cc2[C@H]1O; OC2C=Cc1c(cccc1)C2O; c1ccc2c
    (c1)C=C[C@@H]([C@@H]2O)O; c1ccc2c(c1)C=C
    C(C2O)O    		 (1R, 2S)-CIS 1,2 DIHYDROXY-1,2-DIHYDRONAPHTHALENE;
    (1R,2S)-1,2-DIHYDRONAPHTHALENE-1,2-DIOL
    30518
    NDI    		 1 C14 H20 N4 O2 InChI=1S/C14H20N4O2/c1-11
    -3-4-15-9-13(11)16-14(20)
    10-17-5-7-18(8-6-17)12(2)
    19/h3-4,9H,5-8,10H2,1-2H3
    ,(H,16,20);
    YHXAYSKGSZLMHI-UHFFFAOYSA-N    		 O=C(CN1CCN(CC1)C(C)=O)Nc1cnccc1C; Cc1ccn
    cc1NC(=O)CN2CCN(CC2)C(=O)C; CC(=O)N1CCN(
    CC1)CC(=O)Nc2cnccc2C    		 2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide
    30519
    NDJ
    ZINC000098209217    		 4 C11 H22 N2 O4 S InChI=1S/C11H22N2O4S/c1-2
    -3-4-12-11(18)13-5-8(15)1
    0(17)9(16)7(13)6-14/h7-10
    ,14-17H,2-6H2,1H3,(H,12,1
    8)/t7-,8+,9+,10-/m1/s1;
    VCRXDLDGTLMSHK-XFWSIPNHSA-N    		 CCCCNC(=S)N1C[C@@H]([C@H]([C@H]([C@H]1CO
    )O)O)O; CCCCNC(=S)N1CC(C(C(C1CO)O)O)O; C
    CCCNC(=S)N1C[CH](O)[CH](O)[CH](O)[CH]1CO
    ; CCCCNC(=S)N1C[C@H](O)[C@@H](O)[C@@H](O
    )[C@H]1CO; S=C(NCCCC)N1C(C(O)C(O)C(O)C1)
    CO    		 (2R,3S,4R,5S)-N-butyl-3,4,5-trihydroxy-2-(hydroxymethyl)piperidine-1-carbothioamide
    30520
    NDK    		 1 C19 H21 F N6 O InChI=1S/C19H21FN6O/c1-13
    (2)19-16(20)9-14(12-22-19
    )10-18(27)26-7-5-25(6-8-2
    6)17-4-3-15(11-21)23-24-1
    7/h3-4,9,12-13H,5-8,10H2,
    1-2H3;
    KVGVKTZXYYUWKQ-UHFFFAOYSA-N    		 O=C(Cc1cc(F)c(nc1)C(C)C)N1CCN(CC1)c1ccc(
    C#N)nn1; CC(C)c1ncc(CC(=O)N2CCN(CC2)c3cc
    c(nn3)C#N)cc1F; CC(C)c1c(cc(cn1)CC(=O)N2
    CCN(CC2)c3ccc(nn3)C#N)F    		 6-(4-{[5-fluoro-6-(propan-2-yl)pyridin-3-yl]acetyl}piperazin-1-yl)pyridazine-3-carbonitrile
    30521
    NDM
    DB01978
    ZINC000095921273    		 1 C7 H14 N5 O InChI=1S/C7H14N5O/c1-11-3
    -12(2)5-4(11)6(13)10-7(8)
    9-5/h3,6-7,9-10,13H,8H2,1
    -2H3/q+1/t6-,7+/m0/s1;
    UCYXILDOFXGENE-NKWVEPMBSA-N    		 OC2c1[n+](cn(c1NC(N)N2)C)C; Cn1c[n+](C)c
    2[CH](O)N[CH](N)Nc12; Cn1c[n+](C)c2[C@H]
    (O)N[C@H](N)Nc12; Cn1c[n+](c2c1NC(NC2O)N
    )C    		 7,9-DIMETHYLGUANINE
    30522
    NDN
    CHEMBL1234672    		 2 C9 H12 N3 O10 P InChI=1S/C9H12N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h2,5-7,13H,1,
    3H2,(H,10,14,15)(H2,18,19
    ,20)/t5-,6+,7+/m0/s1;
    LVLPVLNNXRTCHP-RRKCRQDMSA-N    		 [O-][N+](=O)C=1C(=O)NC(=O)N(C=1)C2OC(C(O
    )C2)COP(=O)(O)O; C1[C@@H]([C@H](O[C@H]1N
    2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O)O
    )O; O[C@H]1C[C@@H](O[C@@H]1CO[P](O)(O)=O
    )N2C=C(C(=O)NC2=O)[N+]([O-])=O; C1C(C(OC
    1N2C=C(C(=O)NC2=O)[N+](=O)[O-])COP(=O)(O
    )O)O; O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2
    C=C(C(=O)NC2=O)[N+]([O-])=O    		 2'-DEOXY-5-NITROURIDINE 5'-(DIHYDROGEN PHOSPHATE);
    [(2R,3S,5R)-3-HYDROXY-5-(5-NITRO-2,4-DIOXO-PYRIMIDIN-1-YL)OXOLAN-2-YL]METHYL DIHYDROGEN PHOSPHATE
    30523
    NDO    		 1 C21 H27 N6 O18 P3 InChI=1S/C21H27N6O18P3/c2
    2-17(31)9-2-1-3-26(4-9)20
    -15(30)13(28)10(42-20)5-4
    0-47(36,37)45-48(38,39)41
    -6-11-14(29)16(44-46(33,3
    4)35)21(43-11)27-8-25-12-
    18(27)23-7-24-19(12)32/h1
    -4,7-8,10-11,13-16,20-21,
    28-30H,5-6H2,(H6-,22,23,2
    4,31,32,33,34,35,36,37,38
    ,39)/t10-,11-,13-,14-,15-
    ,16-,20-,21-/m1/s1;
    WKSUSMNNBQFESD-NNYOXOHSSA-N    		 NC(=O)c1ccc[n+](c1)[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(O)ncnc45)
    [C@@H](O)[C@H]2O; c1cc(c[n+](c1)[C@H]2[C
    @@H]([C@@H]([C@H](O2)CO[P@@](=O)([O-])O[
    P@@](=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O
    3)n4cnc5c4ncnc5O)OP(=O)(O)O)O)O)O)C(=O)N
    ; c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])
    OP(=O)(O)OCC3C(C(C(O3)n4cnc5c4ncnc5O)OP(
    =O)(O)O)O)O)O)C(=O)N; NC(=O)c1ccc[n+](c1
    )[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC
    [CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cn
    c5c(O)ncnc45)[CH](O)[CH]2O    		 NICOTINAMIDE-(6-DEAMINO-6-HYDROXY-ADENINE)-DINUCLEOTIDE PHOSPHATE
    30524
    NDP
    CHEMBL407009
    DB02338
    ZINC000008215411    		 2599 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    -,21-/m1/s1;
    ACFIXJIJDZMPPO-NNYOXOHSSA-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=CCC(=C5)C(=O
    )N)O)O)O)OP(=O)(O)O)N; NC(=O)C1=CN(C=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=C
    C1)[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=CCC(=C5)C(=O)N
    )O)O)O)OP(=O)(O)O)N    		 NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
    30525
    NDQ
    ZINC000040447672    		 8 C12 H19 N4 O8 P2 S InChI=1S/C12H18N4O8P2S/c1
    -8-10(3-4-23-26(20,21)24-
    25(17,18)19)27-7-16(8)6-9
    -5-14-12(22-2)15-11(9)13/
    h5,7H,3-4,6H2,1-2H3,(H4-,
    13,14,15,17,18,19,20,21)/
    p+1;
    PWBCVHDHRGCQHM-UHFFFAOYSA-O    		 Cc1c(sc[n+]1Cc2cnc(nc2N)OC)CCOP(=O)(O)OP
    (=O)(O)O; COc1ncc(C[n+]2csc(CCO[P](O)(=O
    )O[P](O)(O)=O)c2C)c(N)n1    		 2-[3-[(4-azanyl-2-methoxy-pyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate
    30526
    NDR
    CHEMBL1162
    DB00717
    ZINC000085205451    		 3 C20 H26 O2 InChI=1S/C20H26O2/c1-3-20
    (22)11-9-18-17-6-4-13-12-
    14(21)5-7-15(13)16(17)8-1
    0-19(18,20)2/h1,12,15-18,
    22H,4-11H2,2H3/t15-,16+,1
    7+,18-,19-,20-/m0/s1;
    VIKNJXKGJWUCNN-XGXHKTLJSA-N    		 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)
    O)CCC4=CC(=O)CC[C@H]34; C[C]12CC[CH]3[CH
    ](CCC4=CC(=O)CC[CH]34)[CH]1CC[C]2(O)C#C;
    C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H
    ]34)[C@@H]1CC[C@@]2(O)C#C; CC12CCC3C(C1C
    CC2(C#C)O)CCC4=CC(=O)CCC34    		 (14beta,17alpha)-17-ethynyl-17-hydroxyestr-4-en-3-one
    30527
    NDS
    CHEMBL1234674
    DB02618    		 15 C7 H17 N O3 S InChI=1S/C7H17NO3S/c1-4-8
    (2,3)6-5-7-12(9,10)11/h4-
    7H2,1-3H3;
    NNCRHRDBFDCWPA-UHFFFAOYSA-N    		 CC[N+](C)(C)CCC[S]([O-])(=O)=O; CC[N+](C
    )(C)CCCS(=O)(=O)[O-]; [O-]S(=O)(=O)CCC[N
    +](C)(CC)C    		 ETHYL DIMETHYL AMMONIO PROPANE SULFONATE
    30528
    NDT
    CHEMBL168634
    DB08265
    ZINC000169748506    		 23 C14 H13 B N2 O3 S InChI=1S/C14H13BN2O3S/c1-
    11-6-8-13(9-7-11)21(19,20
    )17-15(18)14-5-3-2-4-12(1
    4)10-16-17/h2-10,18H,1H3;
    UQIDNSKBUXCODH-UHFFFAOYSA-N    		 B1(c2ccccc2C=NN1S(=O)(=O)c3ccc(cc3)C)O;
    B1(c2ccccc2C=N[N@@]1S(=O)(=O)c3ccc(cc3)C
    )O; Cc1ccc(cc1)[S](=O)(=O)N2N=Cc3ccccc3B
    2O; O=S(=O)(N2N=Cc1c(cccc1)B2O)c3ccc(cc3
    )C    		 2-(TOLUENE-4-SULFONYL)-2H-BENZO[D][1,2,3]DIAZABORININ-1-OL
    30529
    NDU
    ZINC000103550818    		 13 C9 H14 N3 O10 P InChI=1S/C9H14N3O10P/c13-
    5-1-7(22-6(5)3-21-23(18,1
    9)20)11-2-4(12(16)17)8(14
    )10-9(11)15/h4-7,13H,1-3H
    2,(H,10,14,15)(H2,18,19,2
    0)/t4-,5+,6-,7-/m1/s1;
    ZYBJIJYGXJSDTC-XZBKPIIZSA-N    		 C1[C@@H]([C@H](O[C@H]1N2CC(C(=O)NC2=O)[N
    +](=O)[O-])COP(=O)(O)O)O; O[CH]1C[CH](O[
    CH]1CO[P](O)(O)=O)N2C[CH](C(=O)NC2=O)[N+
    ]([O-])=O; C1C(C(OC1N2CC(C(=O)NC2=O)[N+]
    (=O)[O-])COP(=O)(O)O)O; O[C@H]1C[C@@H](O
    [C@@H]1CO[P](O)(O)=O)N2C[C@H](C(=O)NC2=O
    )[N+]([O-])=O; [O-][N+](=O)C1C(=O)NC(=O)
    N(C1)C2OC(C(O)C2)COP(=O)(O)O    		 2'-DEOXY-5-NITROURIDINE 5'-MONOPHOSPHATE
    30530
    NDV
    ZINC000095921040    		 2 C16 H21 N3 O4 S InChI=1S/C16H21N3O4S/c1-1
    6(2)12(15(22)23)19-14(24-
    16)10(8-20)18-13(21)11(17
    )9-6-4-3-5-7-9/h3-8,10-12
    ,14,19H,17H2,1-2H3,(H,18,
    21)(H,22,23)/t10-,11-,12+
    ,14+/m1/s1;
    WHAIWIUXAXKSOT-NMKXLXIOSA-N    		 CC1(C(NC(S1)C(C=O)NC(=O)C(c2ccccc2)N)C(=
    O)O)C; CC1([C@@H](N[C@@H](S1)[C@@H](C=O)
    NC(=O)[C@@H](c2ccccc2)N)C(=O)O)C; O=C(NC
    (C=O)C1SC(C(N1)C(=O)O)(C)C)C(c2ccccc2)N;
    CC1(C)S[CH](N[CH]1C(O)=O)[CH](NC(=O)[CH
    ](N)c2ccccc2)C=O; CC1(C)S[C@H](N[C@H]1C(
    O)=O)[C@H](NC(=O)[C@H](N)c2ccccc2)C=O    		 (2S,4S)-2-[(1R)-1-{[(2R)-2-amino-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
    30531
    NDW    		 1 C21 H30 N7 O17 P3 InChI=1S/C21H30N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    1,3-4,7-8,10-11,13-16,20-
    21,29-31H,2,5-6H2,(H2,23,
    32)(H,36,37)(H,38,39)(H2,
    22,24,25)(H2,33,34,35)/t1
    0-,11-,13-,14-,15-,16-,20
    +,21-/m1/s1;
    ACFIXJIJDZMPPO-OPDHFMQKSA-N    		 NC(=O)C1=CN(C=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=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
    CC(=C5)C(=O)N)O)O)O)OP(=O)(O)O)N; c1nc(c
    2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3
    )COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]
    ([C@H](O4)N5C=CCC(=C5)C(=O)N)O)O)O)OP(=O
    )(O)O)N    		 alpha-NADPH;
    [[(2~{R},3~{S},4~{R},5~{S})-5-(3-aminocarbonyl-4~{H}-pyridin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    30532
    NDX    		 1 C44 H66 N9 O19 P3 InChI=1S/C44H66N9O19P3/c1
    -42(2,3)51-39(59)26-8-7-2
    4-21-6-9-29-44(5,25(21)10
    -12-43(24,26)4)14-22(38(5
    8)50-29)20-11-13-52(15-23
    (20)36(46)57)40-33(56)31(
    54)27(69-40)16-67-74(63,6
    4)72-75(65,66)68-17-28-32
    (55)34(71-73(60,61)62)41(
    70-28)53-19-49-30-35(45)4
    7-18-48-37(30)53/h11,13,1
    5,18-22,24-29,31-34,40-41
    ,54-56H,6-10,12,14,16-17H
    2,1-5H3,(H2,46,57)(H,50,5
    8)(H,51,59)(H,63,64)(H,65
    ,66)(H2,45,47,48)(H2,60,6
    1,62)/t20-,21+,22+,24+,25
    +,26-,27-,28-,29-,31-,32-
    ,33-,34-,40-,41-,43+,44-/
    m1/s1;
    SBPCUEDRMWGINQ-DAPYLVMHSA-N    		 CC(C)(C)NC(=O)[CH]1CC[CH]2[CH]3CC[CH]4NC
    (=O)[CH](C[C]4(C)[CH]3CC[C]12C)[CH]5C=CN
    (C=C5C(N)=O)[CH]6O[CH](CO[P](O)(=O)O[P](
    O)(=O)OC[CH]7O[CH]([CH](O[P](O)(O)=O)[CH
    ]7O)n8cnc9c(N)ncnc89)[CH](O)[CH]6O; CC12
    CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(CC(C(=
    O)N4)C5C=CN(C=C5C(=O)N)C6C(C(C(O6)COP(=O
    )(O)OP(=O)(O)OCC7C(C(C(O7)n8cnc9c8ncnc9N
    )OP(=O)(O)O)O)O)O)C; C[C@]12CC[C@H]3[C@H
    ]([C@@H]1CC[C@@H]2C(=O)NC(C)(C)C)CC[C@@H
    ]4[C@@]3(C[C@H](C(=O)N4)C5C=CN(C=C5C(=O)
    N)[C@H]6[C@@H]([C@@H]([C@H](O6)COP(=O)(O
    )OP(=O)(O)OC[C@@H]7[C@H]([C@H]([C@@H](O7
    )n8cnc9c8ncnc9N)OP(=O)(O)O)O)O)O)C; CC(C
    )(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N
    C(=O)[C@@H](C[C@]4(C)[C@H]3CC[C@]12C)[C@
    H]5C=CN(C=C5C(N)=O)[C@@H]6O[C@H](CO[P](O
    )(=O)O[P](O)(=O)OC[C@H]7O[C@H]([C@H](O[P
    ](O)(O)=O)[C@@H]7O)n8cnc9c(N)ncnc89)[C@@
    H](O)[C@H]6O    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[4-[(1~{S},3~{a}~{S},3~{b}~{S},5~{a}~{R},8~{S},9~{a}~{R},9~{b}~{S},11~{a}~{S})-1-(~{tert}-butylcarbamoyl)-9~{a},11~{a}-dimethyl-7-oxidanylidene-1,2,3,3~{a},3~{b},4,5,5~{a},6,8,9,9~{b},10,11-tetradecahydroindeno[5,4-f]quinolin-8-yl]-3-aminocarbonyl-4~{H}-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    30533
    NDY
    CHEMBL3233398
    ZINC000098209218    		 1 C15 H18 O6 InChI=1S/C15H18O6/c16-11(
    6-9-4-2-1-3-5-9)10-7-15(2
    1,14(19)20)8-12(17)13(10)
    18/h1-5,7,11-13,16-18,21H
    ,6,8H2,(H,19,20)/t11-,12-
    ,13-,15+/m1/s1;
    TUXIFONUTATTJM-BHPKHCPMSA-N    		 O=C(O)C2(O)C=C(C(O)Cc1ccccc1)C(O)C(O)C2;
    O[CH]1C[C](O)(C=C([CH](O)Cc2ccccc2)[CH]
    1O)C(O)=O; c1ccc(cc1)C[C@H](C2=C[C@](C[C
    @H]([C@@H]2O)O)(C(=O)O)O)O; O[C@@H]1C[C@
    @](O)(C=C([C@H](O)Cc2ccccc2)[C@H]1O)C(O)
    =O; c1ccc(cc1)CC(C2=CC(CC(C2O)O)(C(=O)O)
    O)O    		 (1R,4R,5R)-1,4,5-trihydroxy-3-[(1R)-1-hydroxy-2-phenyl]ethylcyclohex-2-ene-1-carboxylic acid
    30534
    NDZ
    CHEMBL221868
    ZINC000035838253    		 5 C11 H17 N O8 InChI=1S/C11H17NO8/c12-4(
    9(15)16)1-11(10(17)18)2-6
    -8(20-11)7(14)5(13)3-19-6
    /h4-8,13-14H,1-3,12H2,(H,
    15,16)(H,17,18)/t4-,5+,6+
    ,7+,8-,11+/m0/s1;
    NRTJEXLNSCGBJU-FQYLSUDWSA-N    		 C1C2C(C(C(CO2)O)O)OC1(CC(C(=O)O)N)C(=O)O
    ; C1[C@@H]2[C@@H]([C@@H]([C@@H](CO2)O)O)
    O[C@@]1(C[C@@H](C(=O)O)N)C(=O)O; N[C@@H]
    (C[C@@]1(C[C@H]2OC[C@@H](O)[C@@H](O)[C@H
    ]2O1)C(O)=O)C(O)=O; O=C(O)C(N)CC2(OC1C(O
    CC(O)C1O)C2)C(=O)O; N[CH](C[C]1(C[CH]2OC
    [CH](O)[CH](O)[CH]2O1)C(O)=O)C(O)=O    		 (2R,3aR,6R,7R,7aR)-2-[(2S)-2-amino-2-carboxyethyl]-6,7-dihydroxyhexahydro-2H-furo[3,2-b]pyran-2-carboxylic acid
    30535
    NE0    		 1 C9 H16 N2 O18 P4 InChI=1S/C9H16N2O18P4/c12
    -5-1-2-11(9(14)10-5)8-7(2
    7-30(15,16)17)6(13)4(26-8
    )3-25-32(21,22)29-33(23,2
    4)28-31(18,19)20/h1-2,4,6
    -8,13H,3H2,(H,21,22)(H,23
    ,24)(H,10,12,14)(H2,15,16
    ,17)(H2,18,19,20)/t4-,6-,
    7-,8-/m1/s1;
    OATQDFNIQGUFQP-XVFCMESISA-N    		 O[CH]1[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O
    )(O)=O)O[CH]([CH]1O[P](O)(O)=O)N2C=CC(=O
    )NC2=O; C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(
    =O)(O)OP(=O)(O)OP(=O)(O)O)O)OP(=O)(O)O;
    C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)OP
    (=O)(O)O; O[C@@H]1[C@@H](CO[P](O)(=O)O[P
    ](O)(=O)O[P](O)(O)=O)O[C@H]([C@@H]1O[P](
    O)(O)=O)N2C=CC(=O)NC2=O    		 [[(2R,3R,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate
    30536
    NE1
    CHEMBL1234676    		 2 C12 H5 Cl5 O InChI=1S/C12H5Cl5O/c13-7-
    2-1-6(10(16)11(7)17)5-3-8
    (14)12(18)9(15)4-5/h1-4,1
    8H;
    YICLFMBHTHJFHZ-UHFFFAOYSA-N    		 Oc1c(Cl)cc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl; Clc
    2ccc(c1cc(Cl)c(O)c(Cl)c1)c(Cl)c2Cl; c1cc
    (c(c(c1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl)Cl    		 2',3,3',4',5-PENTACHLOROBIPHENYL-4-OL
    30537
    NE2
    CHEMBL1234677
    ZINC000006092189    		 2 C12 H6 Cl4 O InChI=1S/C12H6Cl4O/c13-8-
    2-1-6(3-9(8)14)7-4-10(15)
    12(17)11(16)5-7/h1-5,17H;
    RQGVZEFZWFEKQR-UHFFFAOYSA-N    		 Clc2ccc(c1cc(Cl)c(O)c(Cl)c1)cc2Cl; c1cc(
    c(cc1c2cc(c(c(c2)Cl)O)Cl)Cl)Cl; Oc1c(Cl)
    cc(cc1Cl)c2ccc(Cl)c(Cl)c2    		 3,3',4',5-TETRACHLOROBIPHENYL-4-OL
    30538
    NE3    		 1 C20 H20 F N5 O InChI=1S/C20H20FN5O/c21-1
    8-11-14(1-5-17(18)15-2-3-
    15)12-20(27)26-9-7-25(8-1
    0-26)19-6-4-16(13-22)23-2
    4-19/h1,4-6,11,15H,2-3,7-
    10,12H2;
    SDZXVXWCRYXAOH-UHFFFAOYSA-N    		 O=C(Cc1ccc(C2CC2)c(F)c1)N1CCN(CC1)c1ccc(
    C#N)nn1; Fc1cc(CC(=O)N2CCN(CC2)c3ccc(nn3
    )C#N)ccc1C4CC4; c1cc(c(cc1CC(=O)N2CCN(CC
    2)c3ccc(nn3)C#N)F)C4CC4    		 6-{4-[(4-cyclopropyl-3-fluorophenyl)acetyl]piperazin-1-yl}pyridazine-3-carbonitrile
    30539
    NE4
    CHEMBL489140
    ZINC000004102257    		 2 C20 H30 O2 InChI=1S/C20H30O2/c1-13-1
    1-20-10-7-15-18(2,16(20)6
    -5-14(13)12-20)8-4-9-19(1
    5,3)17(21)22/h14-16H,1,4-
    12H2,2-3H3,(H,21,22)/t14-
    ,15+,16+,18-,19-,20-/m1/s
    1;
    NIKHGUQULKYIGE-OTCXFQBHSA-N    		 C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[
    C@H](C3)C(=C)C4)(C)C(=O)O; C324C(C1(CCCC
    (C(O)=O)(C1CC2)C)C)CCC(C3)/C(=C)C4; CC12
    CCCC(C1CCC34C2CCC(C3)C(=C)C4)(C)C(=O)O;
    C[C@@]12CCC[C@](C)([C@H]1CC[C@@]34C[C@@H
    ](CC[C@@H]23)C(=C)C4)C(O)=O; C[C]12CCC[C
    ](C)([CH]1CC[C]34C[CH](CC[CH]23)C(=C)C4)
    C(O)=O    		 (8alpha,9beta,10alpha,13alpha)-kaur-16-en-18-oic acid;
    ent-kaurenoic acid
    30540
    NE5    		 1 C24 H16 N2 O8 InChI=1S/C24H16N2O8/c27-1
    8-11-10-16(12-17(18)24(31
    )32)25-20(13-6-8-15(9-7-1
    3)26(33)34)19(22(29)23(25
    )30)21(28)14-4-2-1-3-5-14
    /h1-12,20,27,29H,(H,31,32
    )/q+1/t20-/m1/s1;
    JFULNDGRPQGBFO-HXUWFJFHSA-N    		 c1ccc(cc1)C(=O)C2=C(C(=O)N(C2c3ccc(cc3)[
    N+](=O)=O)c4ccc(c(c4)C(=O)O)O)O; OC(=O)c
    1cc(ccc1O)N2[C@H](c3ccc(cc3)[N+](=O)=O)C
    (=C(O)C2=O)C(=O)c4ccccc4; OC(=O)c1cc(ccc
    1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2
    =O)C(=O)c4ccccc4; c1ccc(cc1)C(=O)C2=C(C(
    =O)N([C@@H]2c3ccc(cc3)[N+](=O)=O)c4ccc(c
    (c4)C(=O)O)O)O    		 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid
    30541
    NE6
    DB08266    		 6 C23 H31 N O6 InChI=1S/C23H31NO6/c1-6-9
    -15(2)11-12-17(4)21(26)20
    -18(25)14-19(30-22(20)27)
    16(3)10-7-8-13-24-23(28)2
    9-5/h11-14,16,20H,6-10H2,
    1-5H3/b15-11+,17-12+,24-1
    3+/t16-,20?/m1/s1;
    LTDLIPXLSBMTFP-FSAISGGASA-N    		 CCCC(C)=CC=C(C)C(=O)[CH]1C(=O)OC(=CC1=O)
    [CH](C)CCCC=NC(=O)OC; CCCC(/C)=C/C=C(C)/
    C(=O)[C@H]1C(=O)OC(=CC1=O)[C@H](C)CCCC=N
    C(=O)OC; CCC/C(=C/C=C(\C)/C(=O)C1C(=O)C=
    C(OC1=O)[C@H](C)CCC\C=N\C(=O)OC)/C; O=C(
    \C(=C\C=C(/C)CCC)C)C1C(=O)C=C(OC1=O)C(C)
    CCC\C=N\C(=O)OC; CCCC(=CC=C(C)C(=O)C1C(=
    O)C=C(OC1=O)C(C)CCCC=NC(=O)OC)C    		 methyl [(1E,5R)-5-{(3S)-3-[(2E,4E)-2,5-dimethylocta-2,4-dienoyl]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hexylidene]carbamate
    30542
    NE7
    CHEMBL4456326    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21+,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-COKGOQGVSA-N    		 CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)N
    C(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(
    =O)c4ccc(cc4)[C@@H](C)O; CCC(C)CN(CC(C(C
    c1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)
    c4ccc(cc4)C(C)O; C(C(Cc1ccccc1)NC(OC2C3C
    (OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C
    )O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](C
    c1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO
    3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O; CC[CH
    ](C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH
    ]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)
    [CH](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    30543
    NE8
    DB08267
    ZINC000033836604    		 5 C17 H15 N5 O InChI=1S/C17H15N5O/c18-17
    -21-14-11(7-6-10-4-2-1-3-
    5-10)15-13(19-9-20-15)8-1
    2(14)16(23)22-17/h1-5,8-9
    H,6-7H2,(H,19,20)(H3,18,2
    1,22,23);
    PBZAIUVFRISTSZ-UHFFFAOYSA-N    		 c1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]c
    n3; NC1=Nc2c(CCc3ccccc3)c4nc[nH]c4cc2C(=
    O)N1; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccccc
    4)N    		 6-AMINO-4-(2-PHENYLETHYL)-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    30544
    NE9    		 1 C22 H29 Cl2 N3 O3 InChI=1S/C22H29Cl2N3O3/c2
    3-15-19(28)25-18-13-21(14
    -18)5-9-27(10-6-21)20(29)
    22(7-11-30-12-8-22)26-17-
    3-1-16(24)2-4-17/h1-4,18,
    26H,5-15H2,(H,25,28);
    BCCVMEZMRYSIML-UHFFFAOYSA-N    		 c1cc(ccc1NC2(CCOCC2)C(=O)N3CCC4(CC3)CC(C
    4)NC(=O)CCl)Cl; ClCC(=O)NC1CC2(CCN(CC2)C
    (=O)C3(CCOCC3)Nc4ccc(Cl)cc4)C1    		 2-chloranyl-N-[7-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonyl-7-azaspiro[3.5]nonan-2-yl]ethanamide
    30545
    NEA
    CHEMBL563938
    ZINC000005941246    		 14 C12 H18 N6 O3 S InChI=1S/C12H18N6O3S/c13-
    1-2-22-3-6-8(19)9(20)12(2
    1-6)18-5-17-7-10(14)15-4-
    16-11(7)18/h4-6,8-9,12,19
    -20H,1-3,13H2,(H2,14,15,1
    6)/t6-,8-,9-,12-/m1/s1;
    APAPOJUCRZTCHD-WOUKDFQISA-N    		 NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc
    3c(N)ncnc23; c1nc(c2c(n1)n(cn2)[C@H]3[C@
    @H]([C@@H]([C@H](O3)CSCCN)O)O)N; n2c1c(n
    cnc1n(c2)C3OC(C(O)C3O)CSCCN)N; c1nc(c2c(
    n1)n(cn2)C3C(C(C(O3)CSCCN)O)O)N; NCCSC[C
    H]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 5'-DEOXY-5'-[2-(AMINO)ETHYLTHIO]ADENOSINE
    30546
    NEB    		 0 C6 H15 N2 O3 InChI=1S/C6H14N2O3/c7-2-1
    -3(8)5(10)6(11)4(2)9/h2-6
    ,9-11H,1,7-8H2/p+1/t2-,3+
    ,4+,5-,6-;
    DTFAJAKTSMLKAT-JDCCYXBGSA-O    		 C1C(C(C(C(C1N)O)O)O)[NH3+]; N[CH]1C[CH](
    [NH3+])[CH](O)[CH](O)[CH]1O; N[C@H]1C[C@
    @H]([NH3+])[C@H](O)[C@@H](O)[C@@H]1O; OC
    1C(N)CC(C(O)C1O)[NH3+]; C1[C@H]([C@@H]([
    C@H]([C@@H]([C@H]1N)O)O)O)[NH3+]    		 2-DEOXY-D-STREPTAMINE
    30547
    NEC
    CHEMBL464859
    ZINC000003995401    		 11 C12 H16 N6 O4 InChI=1S/C12H16N6O4/c1-2-
    14-11(21)8-6(19)7(20)12(2
    2-8)18-4-17-5-9(13)15-3-1
    6-10(5)18/h3-4,6-8,12,19-
    20H,2H2,1H3,(H,14,21)(H2,
    13,15,16)/t6-,7+,8-,12+/m
    0/s1;
    JADDQZYHOWSFJD-FLNNQWSLSA-N    		 CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2
    cnc3c(N)ncnc23; CCNC(=O)[C@@H]1[C@H]([C@
    H]([C@@H](O1)n2cnc3c2ncnc3N)O)O; CCNC(=O
    )C1C(C(C(O1)n2cnc3c2ncnc3N)O)O; O=C(NCC)
    C3OC(n2cnc1c(ncnc12)N)C(O)C3O; CCNC(=O)[
    CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23    		 N-ETHYL-5'-CARBOXAMIDO ADENOSINE
    30548
    NED    		 0 C6 H16 N2 O4 InChI=1/C6H14N2O4/c7-1-2-
    4(9)5(10)3(8)6(11)12-2/h2
    -6,9-11H,1,7-8H2/p+2/t2-,
    3+,4+,5+,6-/m0/s1/fC6H16N
    2O4/h7-8H/q+2;
    SQTHUUHOUPJYLK-QFMCUJGMDC    		 [NH3+]C[CH]1O[CH](O)[CH]([NH3+])[CH](O)[
    CH]1O; C([C@H]1[C@H]([C@@H]([C@H]([C@H](
    O1)O)[NH3+])O)O)[NH3+]; [NH3+]C[C@@H]1O[
    C@H](O)[C@H]([NH3+])[C@@H](O)[C@@H]1O; C
    (C1C(C(C(C(O1)O)[NH3+])O)O)[NH3+]; OC1C(
    O)C(OC(O)C1[NH3+])C[NH3+]    		 2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
    30549
    NEE
    CHEMBL2326053
    ZINC000095581655    		 1 C18 H17 Cl N2 O InChI=1S/C18H17ClN2O/c1-1
    3-8-17(9-14(2)18(13)19)22
    -16-5-3-4-15(10-16)11-21-
    7-6-20-12-21/h3-10,12H,11
    H2,1-2H3;
    KRDUMXYLMIWMMP-UHFFFAOYSA-N    		 Cc1cc(cc(c1Cl)C)Oc2cccc(c2)Cn3ccnc3; Cc1
    cc(Oc2cccc(Cn3ccnc3)c2)cc(C)c1Cl; Clc3c(
    cc(Oc1cc(ccc1)Cn2ccnc2)cc3C)C    		 1-[3-(4-chloro-3,5-dimethylphenoxy)benzyl]-1H-imidazole
    30550
    NEF    		 3 C21 H18 N4 O9 S2 InChI=1S/C21H18N4O9S2/c26
    -16(9-14-2-1-7-35-14)22-1
    8(21(29)30)19-23-17(20(27
    )28)12(10-36-19)4-3-11-5-
    6-13(24(31)32)8-15(11)25(
    33)34/h1-8,18-19,23H,9-10
    H2,(H,22,26)(H,27,28)(H,2
    9,30)/b4-3+/t18-,19+/m0/s
    1;
    PYBZXZZHQKFSGC-CZHQAMEJSA-N    		 OC(=O)[CH](NC(=O)Cc1sccc1)[CH]2NC(=C(CS2
    )C=Cc3ccc(cc3[N+]([O-])=O)[N+]([O-])=O)C
    (O)=O; c1cc(sc1)CC(=O)NC(C2NC(=C(CS2)C=C
    c3ccc(cc3[N+](=O)[O-])[N+](=O)[O-])C(=O)
    O)C(=O)O; c1cc(sc1)CC(=O)N[C@@H]([C@@H]2
    NC(=C(CS2)/C=C/c3ccc(cc3[N+](=O)[O-])[N+
    ](=O)[O-])C(=O)O)C(=O)O; OC(=O)[C@@H](NC
    (=O)Cc1sccc1)[C@@H]2NC(=C(CS2)\C=C\c3ccc
    (cc3[N+]([O-])=O)[N+]([O-])=O)C(O)=O    		 Nitrocefin - open form;
    (2R)-5-[(E)-2-(2,4-dinitrophenyl)ethenyl]-2-[(1R)-2-oxidanyl-2-oxidanylidene-1-(2-thiophen-2-ylethanoylamino)ethyl]-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    30551
    NEG
    CHEMBL78628    		 0 C9 H20 N4 O4 InChI=1S/C9H20N4O4/c1-13(
    5-9(16)17)12-8(15)3-6(11)
    2-7(14)4-10/h6-7,14H,2-5,
    10-11H2,1H3,(H,12,15)(H,1
    6,17)/t6-,7-/m1/s1;
    IKHFJPZQZVMLRH-RNFRBKRXSA-N    		 O=C(O)CN(NC(=O)CC(N)CC(O)CN)C; C[N@@](CC
    (=O)O)NC(=O)C[C@@H](C[C@H](CN)O)N; CN(CC
    (O)=O)NC(=O)C[C@H](N)C[C@@H](O)CN; CN(CC
    (O)=O)NC(=O)C[CH](N)C[CH](O)CN; CN(CC(=O
    )O)NC(=O)CC(CC(CN)O)N    		 NEGAMYCIN;
    3,6-DIAMINO-1-[2-(CARBOXYMETHYL)-2-METHYLHYDRAZINO]-2,3,4,6-TETRADEOXY-L-THREO-HEXOSE
    30552
    NEH
    CHEMBL14449    		 22 C2 H7 N InChI=1S/C2H7N/c1-2-3/h2-
    3H2,1H3;
    QUSNBJAOOMFDIB-UHFFFAOYSA-N    		 CCN; NCC ETHANAMINE
    30553
    NEI
    ZINC000016052106    		 2 C12 H15 I N6 O4 InChI=1S/C12H15IN6O4/c1-2
    -15-10(22)7-5(20)6(21)11(
    23-7)19-3-16-4-8(14)17-12
    (13)18-9(4)19/h3,5-7,11,2
    0-21H,2H2,1H3,(H,15,22)(H
    2,14,17,18)/t5-,6+,7-,11+
    /m0/s1;
    YEBHQRSEUJCFMN-QMWPFBOUSA-N    		 CCNC(=O)[C@@H]1[C@H]([C@H]([C@@H](O1)n2c
    nc3c2nc(nc3N)I)O)O; CCNC(=O)C1C(C(C(O1)n
    2cnc3c2nc(nc3N)I)O)O; Ic1nc(c2ncn(c2n1)C
    3OC(C(=O)NCC)C(O)C3O)N; CCNC(=O)[CH]1O[C
    H]([CH](O)[CH]1O)n2cnc3c(N)nc(I)nc23; CC
    NC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cn
    c3c(N)nc(I)nc23    		 (2S,3S,4R,5R)-5-(6-AMINO-2-IODO-9H-PURIN-9-YL)-N-ETHYL-3,4-DIHYDROXYTETRAHYDROFURAN-2-CARBOXAMIDE
    30554
    NEJ
    CHEMBL4441340    		 2 C30 H42 N2 O8 S InChI=1S/C30H42N2O8S/c1-4
    -20(2)17-32(41(36,37)24-1
    2-10-23(11-13-24)21(3)33)
    18-27(34)26(16-22-8-6-5-7
    -9-22)31-30(35)40-28-19-3
    9-29-25(28)14-15-38-29/h5
    -13,20-21,25-29,33-34H,4,
    14-19H2,1-3H3,(H,31,35)/t
    20-,21-,25-,26-,27+,28-,2
    9+/m0/s1;
    SPEKXEILCYOTSL-DYJPOHNRSA-N    		 CCC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C
    CO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC[C@H](
    C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4ccc
    (cc4)[C@H](C)O; C(C(Cc1ccccc1)NC(OC2C3C(
    OC2)OCC3)=O)(CN(CC(C)CC)S(c4ccc(cc4)C(C)
    O)(=O)=O)O; CC[C@H](C)CN(C[C@H]([C@H](Cc
    1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3
    )O)S(=O)(=O)c4ccc(cc4)[C@H](C)O; CC[CH](
    C)CN(C[CH](O)[CH](Cc1ccccc1)NC(=O)O[CH]2
    CO[CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[C
    H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)[(2S)-2-methylbutyl]amino}-1-phenylbutan-2-yl]carbamate
    30555
    NEK
    CHEMBL4761303    		 0 C10 H11 N O4 InChI=1S/C10H11NO4/c12-9-
    3-1-8(2-4-9)7-11-15-6-5-1
    0(13)14/h1-4,7,12H,5-6H2,
    (H,13,14)/b11-7+;
    RWWIOUDUCKNDSJ-YRNVUSSQSA-N    		 c1cc(ccc1C=NOCCC(=O)O)O; OC(=O)CCON=Cc1c
    cc(O)cc1; c1cc(ccc1/C=N/OCCC(=O)O)O; OC(
    =O)CCO\N=C\c1ccc(O)cc1    		 3-[(~{E})-(4-hydroxyphenyl)methylideneamino]oxypropanoic acid
    30556
    NEL    		 1 C15 H12 Cl N3 O InChI=1S/C15H12ClN3O/c16-
    11-4-1-3-10(7-11)8-15(20)
    18-13-5-2-6-14-12(13)9-17
    -19-14/h1-7,9H,8H2,(H,17,
    19)(H,18,20);
    CYQCEAJKJVOFMS-UHFFFAOYSA-N    		 Clc1cccc(c1)CC(=O)Nc1cccc2[NH]ncc12; c1c
    c(cc(c1)Cl)CC(=O)Nc2cccc3c2cn[nH]3; Clc1
    cccc(CC(=O)Nc2cccc3[nH]ncc23)c1    		 2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide
    30557
    NEM    		 0 C7 H11 N3 O2 InChI=1/C7H11N3O2/c1-10-3
    -5(9-4-10)2-6(8)7(11)12/h
    3-4,6H,2,8H2,1H3,(H,11,12
    )/t6-/m0/s1/f/h11H;
    BRMWTNUJHUMWMS-LBISWHJPDF    		 Cn1cc(nc1)CC(C(=O)O)N; Cn1cnc(C[CH](N)C(
    O)=O)c1; Cn1cc(nc1)C[C@@H](C(=O)O)N; Cn1
    cnc(C[C@H](N)C(O)=O)c1; O=C(O)C(N)Cc1ncn
    (c1)C    		 NE2-METHYLATED HISTIDINE
    30558
    NEN
    DB01902
    ZINC000001670837    		 17 C6 H9 N O2 InChI=1S/C6H9NO2/c1-2-7-5
    (8)3-4-6(7)9/h2-4H2,1H3;
    GHAZCVNUKKZTLG-UHFFFAOYSA-N    		 CCN1C(=O)CCC1=O; O=C1N(C(=O)CC1)CC 1-ETHYL-PYRROLIDINE-2,5-DIONE
    30559
    NEO
    DB02385
    ZINC000018169010    		 1 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6-/m1/s1;
    BMQYVXCPAOLZOK-INEUFUBQSA-N    		 c1c(nc2c(n1)N=C(NC2=O)N)[C@H]([C@@H](CO)
    O)O; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O;
    NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)CO;
    NC1=Nc2ncc(nc2C(=O)N1)[C@@H](O)[C@H](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 NEOPTERIN
    30560
    NEP    		 0 C6 H10 N3 O5 P InChI=1S/C6H10N3O5P/c7-5(
    6(10)11)1-4-2-9(3-8-4)15(
    12,13)14/h2-3,5H,1,7H2,(H
    ,10,11)(H2,12,13,14)/t5-/
    m0/s1;
    MOYPZVWCTBPWEH-YFKPBYRVSA-N    		 O=P(O)(O)n1cc(nc1)CC(C(=O)O)N; N[CH](Cc1
    cn(cn1)[P](O)(O)=O)C(O)=O; c1c(ncn1P(=O)
    (O)O)CC(C(=O)O)N; c1c(ncn1P(=O)(O)O)C[C@
    @H](C(=O)O)N; N[C@@H](Cc1cn(cn1)[P](O)(O
    )=O)C(O)=O    		 N1-PHOSPHONOHISTIDINE
    30561
    NEQ
    CHEMBL8211
    DB02967
    ZINC000000901367    		 11 C6 H7 N O2 InChI=1S/C6H7NO2/c1-2-7-5
    (8)3-4-6(7)9/h3-4H,2H2,1H
    3;
    HDFGOPSGAURCEO-UHFFFAOYSA-N    		 CCN1C(=O)C=CC1=O; O=C1C=CC(=O)N1CC N-ETHYLMALEIMIDE
    30562
    NER
    CHEMBL1173379
    ZINC000006920440    		 0 C24 H46 O2 InChI=1S/C24H46O2/c1-2-3-
    4-5-6-7-8-9-10-11-12-13-1
    4-15-16-17-18-19-20-21-22
    -23-24(25)26/h9-10H,2-8,1
    1-23H2,1H3,(H,25,26)/b10-
    9-;
    GWHCXVQVJPWHRF-KTKRTIGZSA-N    		 CCCCCCCC\C=C/CCCCCCCCCCCCCC(O)=O; CCCCCC
    CCC=CCCCCCCCCCCCCCC(=O)O; CCCCCCCC\C=C/C
    CCCCCCCCCCCCC(=O)O; CCCCCCCCC=CCCCCCCCCC
    CCCCC(O)=O; O=C(O)CCCCCCCCCCCCC\C=C/CCCC
    CCCC    		 (15E)-TETRACOS-15-ENOIC ACID;
    CIS-15-TETRACOSENOIC ACID
    30563
    NES
    DB02371
    ZINC000001530141    		 7 C6 H15 N O6 S InChI=1S/C6H15NO6S/c8-3-6
    (4-9,5-10)7-1-2-14(11,12)
    13/h7-10H,1-5H2,(H,11,12,
    13);
    JOCBASBOOFNAJA-UHFFFAOYSA-N    		 O=S(=O)(O)CCNC(CO)(CO)CO; C(CS(=O)(=O)O)
    NC(CO)(CO)CO; OCC(CO)(CO)NCC[S](O)(=O)=O    		 2-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-ETHANESULFONIC ACID
    30564
    NET
    CHEMBL9324
    DB08837
    ZINC000000896981    		 0 C8 H20 N InChI=1S/C8H20N/c1-5-9(6-
    2,7-3)8-4/h5-8H2,1-4H3/q+
    1;
    CBXCPBUEXACCNR-UHFFFAOYSA-N    		 CC[N+](CC)(CC)CC TETRAETHYLAMMONIUM ION
    30565
    NEU
    DB15050
    ZINC000012428336    		 11 C9 H11 N5 O4 InChI=1S/C9H11N5O4/c10-9-
    13-7-5(8(18)14-9)12-3(1-1
    1-7)6(17)4(16)2-15/h1,4,6
    ,15-17H,2H2,(H3,10,11,13,
    14,18)/t4-,6+/m1/s1;
    BMQYVXCPAOLZOK-XINAWCOVSA-N    		 NC1=Nc2ncc(nc2C(=O)N1)[C@H](O)[C@H](O)CO
    ; c1c(nc2c(n1)N=C(NC2=O)N)C(C(CO)O)O; c1
    c(nc2c(n1)N=C(NC2=O)N)[C@@H]([C@@H](CO)O
    )O; NC1=Nc2ncc(nc2C(=O)N1)[CH](O)[CH](O)
    CO; O=C1c2nc(cnc2N=C(N1)N)C(O)C(O)CO    		 L-NEOPTERIN;
    2-AMINO-6-((1S,2R)-1,2,3-TRIHYDROXYPROPYL)PTERIDIN-4(3H)-ONE
    30566
    NEV    		 0 C15 H14 N4 O InChI=1/C15H14N4O/c1-9-6-
    8-17-14-12(9)18-15(20)11-
    3-2-7-16-13(11)19(14)10-4
    -5-10/h2-3,6-8,10H,4-5H2,
    1H3,(H,18,20)/f/h18H;
    NQDJXKOVJZTUJA-GPQMBLKYCB    		 Cc1ccnc2N(C3CC3)c4ncccc4C(=O)Nc12; O=C2N
    c1c(ccnc1N(c3ncccc23)C4CC4)C; Cc1ccnc2c1
    NC(=O)c3cccnc3N2C4CC4    		 NEVIRAPINE
    30567
    NEW    		 0 C12 H6 Cl4 O2 InChI=1/C12H6Cl4O2/c13-7-
    1-5(2-8(14)11(7)17)6-3-9(
    15)12(18)10(16)4-6/h1-4,1
    7-18H;
    YCYDXOVJXVALHY-UHFFFAOYAL    		 Clc1cc(cc(Cl)c1O)c2cc(Cl)c(O)c(Cl)c2; c1
    c(cc(c(c1Cl)O)Cl)c2cc(c(c(c2)Cl)O)Cl; Oc
    1c(Cl)cc(cc1Cl)c2cc(Cl)c(O)c(Cl)c2    		 3,3',5,5'-TETRACHLOROBIPHENYL-4,4'-DIOL
    30568
    NEX    		 0 C40 H56 O4 InChI=1S/C40H56O4/c1-29(1
    7-13-19-31(3)21-22-35-36(
    5,6)25-33(41)27-38(35,9)4
    3)15-11-12-16-30(2)18-14-
    20-32(4)23-24-40-37(7,8)2
    6-34(42)28-39(40,10)44-40
    /h11-21,23-24,33-34,41-43
    H,25-28H2,1-10H3/b12-11+,
    17-13+,18-14+,24-23+,29-1
    5+,30-16+,31-19+,32-20-/t
    22-,33-,34-,38+,39+,40-/m
    0/s1;
    PGYAYSRVSAJXTE-OQASCVKESA-N    		 CC(=CC=CC=C(C)C=CC=C(C)C=C=C1C(CC(CC1(C)
    O)O)(C)C)C=CC=C(C)C=CC23C(CC(CC2(O3)C)O)
    (C)C; CC(=CC=CC=C(C)C=CC=C(C)[CH]=[C]=[C
    ]1C(C)(C)C[CH](O)C[C]1(C)O)C=CC=C(C)C=C[
    C]23O[C]2(C)C[CH](O)CC3(C)C; CC(=C/C=C/C
    =C(C)/C=C/C=C(C)/[CH]=[C@@]=[C]1C(C)(C)C
    [C@H](O)C[C@@]1(C)O)\C=C\C=C(C)/C=C/[C@@
    ]23O[C@]2(C)C[C@@H](O)CC3(C)C; OC3CC(\C(
    =C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(\C=C
    \C12OC2(C)CC(O)CC1(C)C)C)C)C)C)C(O)(C)C3
    )(C)C; C\C(=C/C=C/C=C(\C)/C=C/C=C(C)C=C=
    C1C(C[C@@H](C[C@@]1(C)O)O)(C)C)\C=C\C=C(
    \C)/C=C/[C@]23C(C[C@@H](C[C@]2(O3)C)O)(C
    )C    		 (1R,3R)-6-{(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4R,6R)-4-HYDROXY-2,2,6-TRIMETHYL-7-OXABICYCLO[4.1.0]HEPT-1-YL]-3,7,12,16-TETRAMETHYLOCTADECA-1,3,5,7,9,11,13,15,17-NONAENYLIDENE}-1,5,5-TRIMETHYLCYCLOHEXANE-1,3-DIOL;
    (3S,5R,6R,3'S,5'R,6'S)-5',6'-EPOXY-6,7-DIDEHYDRO- 5,6,5',6'-TETRAHYDRO-BETA,BETA-CAROTENE-3,5,3'-TRIOL;
    9'-CIS-NEOXANTHIN
    30569
    NEZ
    DB08268
    ZINC000016051686    		 3 C18 H17 N5 O InChI=1S/C18H17N5O/c1-10-
    2-4-11(5-3-10)6-7-12-15-1
    3(17(24)23-18(19)22-15)8-
    14-16(12)21-9-20-14/h2-5,
    8-9H,6-7H2,1H3,(H,20,21)(
    H3,19,22,23,24);
    SPVJRTJUEVXOMS-UHFFFAOYSA-N    		 Cc1ccc(cc1)CCc2c3c(cc4c2N=C(NC4=O)N)[nH]
    cn3; O=C1NC(=Nc3c1cc2c(ncn2)c3CCc4ccc(cc
    4)C)N; Cc1ccc(CCc2c3nc[nH]c3cc4C(=O)NC(=
    Nc24)N)cc1    		 6-AMINO-4-[2-(4-METHYLPHENYL)ETHYL]-1,7-DIHYDRO-8H-IMIDAZO[4,5-G]QUINAZOLIN-8-ONE
    30570
    NF    		 0 C31 H30 N4 O4 InChI=1S/C31H28N4O4/c36-2
    8-22-10-1-6-20-7-2-11-23(
    26(20)22)29(37)34(28)18-1
    6-32-14-5-15-33-17-19-35-
    30(38)24-12-3-8-21-9-4-13
    -25(27(21)24)31(35)39/h1-
    4,6-13,32-33H,5,14-19H2/p
    +2;
    QUNOQBDEVTWCTA-UHFFFAOYSA-P    		 O=C1N(CC[NH2+]CCC[NH2+]CCN2C(=O)c3cccc4c
    ccc(C2=O)c34)C(=O)c5cccc6cccc1c56; O=C3c
    1c2c(ccc1)cccc2C(=O)N3CC[NH2+]CCC[NH2+]C
    CN6C(=O)c5cccc4cccc(c45)C6=O; c1cc2cccc3
    c2c(c1)C(=O)N(C3=O)CC[NH2+]CCC[NH2+]CCN4
    C(=O)c5cccc6c5c(ccc6)C4=O    		 N,N'-(3,7-DIAZANONYLENE)-BIS-NAPHTHALIMIDE;
    LU-79553
    30571
    NF0
    CHEMBL494005
    ZINC000001665979    		 24 C11 H14 O5 InChI=1S/C11H14O5/c1-2-3-
    4-16-11(15)7-5-8(12)10(14
    )9(13)6-7/h5-6,12-14H,2-4
    H2,1H3;
    XOPOEBVTQYAOSV-UHFFFAOYSA-N    		 CCCCOC(=O)c1cc(c(c(c1)O)O)O; CCCCOC(=O)c
    1cc(O)c(O)c(O)c1    		 butyl 3,4,5-tris(oxidanyl)benzoate;
    butyl gallate
    30572
    NF1
    CHEMBL4592668
    ZINC000224698038    		 1 C18 H16 N4 O2 S InChI=1S/C18H16N4O2S/c1-1
    1-20-21-15(25-11)10-19-8-
    9-22-17(23)13-6-2-4-12-5-
    3-7-14(16(12)13)18(22)24/
    h2-7,19H,8-10H2,1H3;
    YHPDOCZSFWEMOD-UHFFFAOYSA-N    		 O=C3c1c2c(ccc1)cccc2C(=O)N3CCNCc4nnc(s4)
    C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3c(ccc4)
    C2=O; Cc1sc(CNCCN2C(=O)c3cccc4cccc(C2=O)
    c34)nn1    		 2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    30573
    NF2
    ZINC000058638767    		 0 C12 H15 F2 O7 P InChI=1S/C12H15F2O7P/c1-5
    -2-6(8(14)3-7(5)13)12-11(
    16)10(15)9(21-12)4-20-22(
    17,18)19/h2-3,9-12,15-16H
    ,4H2,1H3,(H2,17,18,19)/t9
    -,10-,11-,12+/m1/s1;
    DMROPYMHNVLDPZ-KKOKHZNYSA-N    		 Cc1cc([CH]2O[CH](CO[P](O)(O)=O)[CH](O)[C
    H]2O)c(F)cc1F; Cc1cc([C@@H]2O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]2O)c(F)cc1F; O=P(
    OCC2OC(c1cc(c(F)cc1F)C)C(O)C2O)(O)O; Cc1
    cc(c(cc1F)F)[C@H]2[C@@H]([C@@H]([C@H](O2
    )COP(=O)(O)O)O)O; Cc1cc(c(cc1F)F)C2C(C(C
    (O2)COP(=O)(O)O)O)O    		 (1S)-1,4-ANHYDRO-1-(2,4-DIFLUORO-5-METHYLPHENYL)-5-O-PHOSPHONO-D-RIBITOL
    30574
    NF3
    ZINC000100004911    		 2 C6 H8 O4 InChI=1S/C6H8O4/c1-2-10-6
    (9)4-3-5(7)8/h3-4H,2H2,1H
    3,(H,7,8)/b4-3-;
    XLYMOEINVGRTEX-ARJAWSKDSA-N    		 CCOC(=O)C=CC(O)=O; CCOC(=O)C=CC(=O)O; CC
    OC(=O)/C=C\C(=O)O; CCOC(=O)\C=C/C(O)=O    		 (~{Z})-4-ethoxy-4-oxidanylidene-but-2-enoic acid
    30575
    NF4
    CHEMBL4570309    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-4
    -22(5-2)18-33(42(37,38)25
    -13-11-24(12-14-25)21(3)3
    4)19-28(35)27(17-23-9-7-6
    -8-10-23)32-31(36)41-29-2
    0-40-30-26(29)15-16-39-30
    /h6-14,21-22,26-30,34-35H
    ,4-5,15-20H2,1-3H3,(H,32,
    36)/t21-,26-,27-,28+,29-,
    30+/m0/s1;
    QJTBJHOQMPDSSA-ACNJIEPASA-N    		 CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@H](C)O; C(C)C(CN(CC(C(Cc1cc
    ccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)C
    (C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](C
    c1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S
    ](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(C
    C(C(Cc1ccccc1)NC(=O)OC2COC3C2CCO3)O)S(=O
    )(=O)c4ccc(cc4)C(C)O; CCC(CC)CN(C[C@H]([
    C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@@H]3[C@
    H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1S)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    30576
    NF5
    CHEMBL3355057
    ZINC000213028927    		 6 C17 H17 Br N2 O InChI=1S/C17H17BrN2O/c18-
    15-4-1-13(2-5-15)17(21)20
    -16-6-3-12-7-9-19-10-8-14
    (12)11-16/h1-6,11,19H,7-1
    0H2,(H,20,21);
    YMOUEQZHQYODQT-UHFFFAOYSA-N    		 Brc1ccc(cc1)C(=O)Nc2ccc3CCNCCc3c2; c1cc(
    ccc1C(=O)Nc2ccc3c(c2)CCNCC3)Br; Brc1ccc(
    cc1)C(=O)Nc2cc3c(cc2)CCNCC3    		 4-bromo-N-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzamide
    30577
    NF6
    CHEMBL4544229
    ZINC000224698099    		 1 C20 H21 N5 O2 S InChI=1S/C20H21N5O2S/c1-1
    2-22-23-17(28-12)11-21-9-
    10-25-19(26)14-6-4-5-13-1
    6(24(2)3)8-7-15(18(13)14)
    20(25)27/h4-8,21H,9-11H2,
    1-3H3;
    MZVBLDCRQKXSHR-UHFFFAOYSA-N    		 O=C3c1c2c(c(N(C)C)cc1)cccc2C(=O)N3CCNCc4
    nnc(s4)C; Cc1nnc(s1)CNCCN2C(=O)c3cccc4c3
    c(ccc4N(C)C)C2=O; CN(C)c1ccc2C(=O)N(CCNC
    c3sc(C)nn3)C(=O)c4cccc1c24    		 6-(dimethylamino)-2-(2-{[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]amino}ethyl)-1H-benzo[de]isoquinoline-1,3(2H)-dione
    30578
    NF7
    CHEMBL4459766    		 4 C29 H40 N2 O9 S InChI=1S/C29H40N2O9S/c1-1
    9(2)15-31(41(36,37)22-10-
    8-21(9-11-22)26(34)17-32)
    16-25(33)24(14-20-6-4-3-5
    -7-20)30-29(35)40-27-18-3
    9-28-23(27)12-13-38-28/h3
    -11,19,23-28,32-34H,12-18
    H2,1-2H3,(H,30,35)/t23-,2
    4-,25+,26-,27-,28+/m0/s1;
    PRPRGSSTKWEYGS-HJCZHRQASA-N    		 CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)
    O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)c4
    ccc(cc4)[C@@H](O)CO; CC(C)CN(C[CH](O)[CH
    ](Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23
    )[S](=O)(=O)c4ccc(cc4)[CH](O)CO; CC(C)CN
    (C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[
    C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C
    @H](CO)O; C(C(Cc1ccccc1)NC(OC2C3C(OC2)OC
    C3)=O)(CN(CC(C)C)S(c4ccc(cc4)C(CO)O)(=O)
    =O)O; CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2CO
    C3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(CO)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[({4-[(1R)-1,2-dihydroxyethyl]phenyl}sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    30579
    NF8    		 1 C6 H11 F O4 InChI=1S/C6H11FO4/c7-3-2-
    11-4(1-8)6(10)5(3)9/h3-6,
    8-10H,1-2H2/t3-,4+,5+,6+/
    m0/s1;
    JEWFVWVAXVTBRL-SLPGGIOYSA-N    		 OC[CH]1OC[CH](F)[CH](O)[CH]1O; C1C(C(C(C
    (O1)CO)O)O)F; C1[C@@H]([C@H]([C@@H]([C@H
    ](O1)CO)O)O)F; OC[C@H]1OC[C@H](F)[C@@H](
    O)[C@@H]1O    		 (2~{R},3~{S},4~{S},5~{S})-5-fluoranyl-2-(hydroxymethyl)oxane-3,4-diol
    30580
    NF9    		 1 C21 H29 Cl2 N3 O3 InChI=1S/C21H29Cl2N3O3/c2
    2-15-19(27)24-10-5-16-6-1
    1-26(12-7-16)20(28)21(8-1
    3-29-14-9-21)25-18-3-1-17
    (23)2-4-18/h1-4,16,25H,5-
    15H2,(H,24,27);
    CERKFXQSEPXGMS-UHFFFAOYSA-N    		 ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCOCC2)Nc3c
    cc(Cl)cc3; c1cc(ccc1NC2(CCOCC2)C(=O)N3CC
    C(CC3)CCNC(=O)CCl)Cl    		 2-chloranyl-N-[2-[1-[4-[(4-chlorophenyl)amino]oxan-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide
    30581
    NFA
    CHEMBL350320
    DB04029
    ZINC000016051972    		 14 C9 H12 N2 O InChI=1S/C9H12N2O/c10-8(9
    (11)12)6-7-4-2-1-3-5-7/h1
    -5,8H,6,10H2,(H2,11,12)/t
    8-/m0/s1;
    OBSIQMZKFXFYLV-QMMMGPOBSA-N    		 N[CH](Cc1ccccc1)C(N)=O; N[C@@H](Cc1ccccc
    1)C(N)=O; O=C(N)C(N)Cc1ccccc1; c1ccc(cc1
    )CC(C(=O)N)N; c1ccc(cc1)C[C@@H](C(=O)N)N    		 PHENYLALANINE AMIDE
    30582
    NFB    		 0 C3 H2 Fe N Ni O3 InChI=1/CN.2CHO.Fe.Ni.O/c
    3*1-2;;;/h;2*1H;;;/rC3H2F
    eNNiO3/c5-1-4(2-7,3-8)9-6
    /h2-3H;
    FQZPNHHVQDQMNS-YIXQKJCHAH    		 [Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)(
    C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni]    		 NI-FE ACTIVE CENTER B-FORM
    30583
    NFC    		 2 C3 H2 Fe N Ni O4 InChI=1S/CN.2CHO.Fe.Ni.O2
    /c3*1-2;;;1-2/h;2*1H;;;;
    CIUCFLVMTAQNSJ-UHFFFAOYSA-N    		 C(=O)[Fe](C=O)(C#N)O(=O)[Ni]; [Ni][O](=O
    )[Fe](C=O)(C=O)C#N; [Ni][O](=O)[Fe@](C=O
    )(C=O)C#N    		 NI-FE ACTIVE CENTER A-FORM
    30584
    NFD    		 1 C21 H26 F N7 O14 P2 InChI=1S/C21H26FN7O14P2/c
    22-21-26-16(23)11-18(27-2
    1)29(7-25-11)20-15(33)13(
    31)10(42-20)6-40-45(37,38
    )43-44(35,36)39-5-9-12(30
    )14(32)19(41-9)28-3-1-2-8
    (4-28)17(24)34/h1-4,7,9-1
    0,12-15,19-20,30-33H,5-6H
    2,(H5-,23,24,26,27,34,35,
    36,37,38)/t9-,10-,12-,13-
    ,14-,15-,19-,20-/m1/s1;
    JDJGJQAJEVFTBI-NAJQWHGHSA-N    		 c1cc(c[n+](c1)C2C(C(C(O2)COP(=O)([O-])OP
    (=O)(O)OCC3C(C(C(O3)n4cnc5c4nc(nc5N)F)O)
    O)O)O)C(=O)N; c1cc(c[n+](c1)[C@H]2[C@@H]
    ([C@@H]([C@H](O2)CO[P@](=O)([O-])O[P@](=
    O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cn
    c5c4nc(nc5N)F)O)O)O)O)C(=O)N; NC(=O)c1cc
    c[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](
    O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c
    (N)nc(F)nc45)[CH](O)[CH]2O; NC(=O)c1ccc[
    n+](c1)[C@@H]2O[C@H](CO[P]([O-])(=O)O[P]
    (O)(=O)OC[C@H]3O[C@H]([C@H](O)[C@@H]3O)n
    4cnc5c(N)nc(F)nc45)[C@@H](O)[C@H]2O    		 Nicotinamide 2-fluoro-adenine dinucleotide;
    2-fluoro-NAD+
    30585
    NFE    		 2 C2 H Fe Ni O3 S2 InChI=1S/2CO.Fe.Ni.H2OS.S
    /c2*1-2;;;1-2;/h;;;;1-2H;
    /q;;+1;;;/p-1;
    BWHVFYQLNHWUMU-UHFFFAOYSA-M    		 C(=O)=[Fe](=C=O)(SO)S[Ni]; OS[Fe](S[Ni])
    (=C=O)=C=O; OS[Fe@](S[Ni])(=C=O)=C=O    		 NI-FE ACTIVE CENTER
    30586
    NFF
    ZINC000095921260    		 6 C21 H24 N2 O5 S InChI=1S/C21H24N2O5S/c1-4
    -28-15-10-9-12-7-5-6-8-13
    (12)16(15)18(25)22-14(11-
    24)19-23-17(20(26)27)21(2
    ,3)29-19/h5-11,14,17,19,2
    3H,4H2,1-3H3,(H,22,25)(H,
    26,27)/t14-,17+,19-/m1/s1;
    XDLYHUOUOKHAMD-DKSSEZFCSA-N    		 CCOc1ccc2ccccc2c1C(=O)NC(C=O)C3NC(C(S3)(
    C)C)C(=O)O; O=C(NC(C=O)C1SC(C(N1)C(=O)O)
    (C)C)c3c2ccccc2ccc3OCC; CCOc1ccc2ccccc2c
    1C(=O)N[C@H](C=O)[C@@H]3N[C@H](C(S3)(C)C
    )C(=O)O; CCOc1ccc2ccccc2c1C(=O)N[CH](C=O
    )[CH]3N[CH](C(O)=O)C(C)(C)S3; CCOc1ccc2c
    cccc2c1C(=O)N[C@H](C=O)[C@@H]3N[C@@H](C(
    O)=O)C(C)(C)S3    		 (2R,4S)-2-[(1R)-1-{[(2-ethoxynaphthalen-1-yl)carbonyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid;
    Nafcillin, bound form
    30587
    NFG
    CHEMBL1234696
    DB02658
    ZINC000004475142    		 9 C12 H13 F N2 O9 InChI=1S/C12H13FN2O9/c13-
    9-11(18)10(17)8(4-16)24-1
    2(9)23-7-2-1-5(14(19)20)3
    -6(7)15(21)22/h1-3,8-12,1
    6-18H,4H2/t8-,9-,10-,11-,
    12-/m1/s1;
    UFSBFVZQJZMIOU-LZQZFOIKSA-N    		 [O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c
    ([N+]([O-])=O)c2; c1cc(c(cc1[N+](=O)[O-]
    )[N+](=O)[O-])OC2C(C(C(C(O2)CO)O)O)F; OC
    [CH]1O[CH](Oc2ccc(cc2[N+]([O-])=O)[N+]([
    O-])=O)[CH](F)[CH](O)[CH]1O; OC[C@H]1O[C
    @@H](Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O
    )[C@H](F)[C@@H](O)[C@@H]1O; c1cc(c(cc1[N
    +](=O)[O-])[N+](=O)[O-])O[C@H]2[C@@H]([C
    @H]([C@@H]([C@H](O2)CO)O)O)F    		 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-D-glucoside;
    2,4-dinitrophenyl 2-deoxy-2-fluoro-glucoside
    30588
    NFH
    ZINC000012080867    		 2 C15 H29 N3 O4 InChI=1S/C15H29N3O4/c1-10
    (2)7-11(8-18(22)9-19)13(2
    0)17-12(14(21)16-6)15(3,4
    )5/h9-12,22H,7-8H2,1-6H3,
    (H,16,21)(H,17,20)/t11-,1
    2-/m1/s1;
    YRLGSCVOSAUJJE-VXGBXAGGSA-N    		 CC(C)C[C@H](CN(C=O)O)C(=O)N[C@H](C(=O)NC
    )C(C)(C)C; CC(C)CC(CN(C=O)O)C(=O)NC(C(=O
    )NC)C(C)(C)C; O=CN(O)CC(C(=O)NC(C(=O)NC)
    C(C)(C)C)CC(C)C; CNC(=O)[C@@H](NC(=O)[C@
    H](CC(C)C)CN(O)C=O)C(C)(C)C; CNC(=O)[CH]
    (NC(=O)[CH](CC(C)C)CN(O)C=O)C(C)(C)C    		 N~2~-[(2R)-2-{[formyl(hydroxy)amino]methyl}-4-methylpentanoyl]-N,3-dimethyl-L-valinamide
    30589
    NFI    		 1 C20 H17 N O5 InChI=1S/C20H17NO5/c1-12-
    15-11-14(7-9-17(15)26-19(
    12)20(24)25)21-18(23)10-8
    -16(22)13-5-3-2-4-6-13/h2
    -7,9,11H,8,10H2,1H3,(H,21
    ,23)(H,24,25);
    ZXQOBDSXROLOQK-UHFFFAOYSA-N    		 Cc1c2cc(ccc2oc1C(=O)O)NC(=O)CCC(=O)c3ccc
    cc3; Cc1c(oc2ccc(NC(=O)CCC(=O)c3ccccc3)c
    c12)C(O)=O    		 3-methyl-5-[(4-oxidanylidene-4-phenyl-butanoyl)amino]-1-benzofuran-2-carboxylic acid
    30590
    NFJ
    CHEMBL4586167    		 2 C31 H44 N2 O8 S InChI=1S/C31H44N2O8S/c1-4
    -22(5-2)18-33(42(37,38)25
    -13-11-24(12-14-25)21(3)3
    4)19-28(35)27(17-23-9-7-6
    -8-10-23)32-31(36)41-29-2
    0-40-30-26(29)15-16-39-30
    /h6-14,21-22,26-30,34-35H
    ,4-5,15-20H2,1-3H3,(H,32,
    36)/t21-,26+,27+,28-,29+,
    30-/m1/s1;
    QJTBJHOQMPDSSA-NORYVHHUSA-N    		 CCC(CC)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@@H](C)O; C(C)C(CN(CC(C(Cc1c
    cccc1)NC(OC3COC2C3CCO2)=O)O)S(c4ccc(cc4)
    C(C)O)(=O)=O)CC; CCC(CC)CN(C[CH](O)[CH](
    Cc1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[
    S](=O)(=O)c4ccc(cc4)[CH](C)O; CCC(CC)CN(
    C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C
    @@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@
    @H](C)O; CCC(CC)CN(CC(C(Cc1ccccc1)NC(=O)
    OC2COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-4-[(2-ethylbutyl)({4-[(1R)-1-hydroxyethyl]phenyl}sulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate
    30591
    NFK
    CHEMBL3577708
    ZINC000000901361    		 12 C11 H12 N2 O4 InChI=1S/C11H12N2O4/c12-8
    (11(16)17)5-10(15)7-3-1-2
    -4-9(7)13-6-14/h1-4,6,8H,
    5,12H2,(H,13,14)(H,16,17)
    /t8-/m0/s1;
    BYHJHXPTQMMKCA-QMMMGPOBSA-N    		 c1ccc(c(c1)C(=O)CC(C(=O)O)N)NC=O; c1ccc(
    c(c1)C(=O)C[C@@H](C(=O)O)N)NC=O; O=C(O)C
    (CC(c1ccccc1NC=O)=O)N; N[CH](CC(=O)c1ccc
    cc1NC=O)C(O)=O; N[C@@H](CC(=O)c1ccccc1NC
    =O)C(O)=O    		 N'-Formylkynurenine;
    (2S)-2-amino-4-[2-(formylamino)phenyl]-4-oxobutanoic acid
    30592
    NFL
    CHEMBL63323
    DB04552
    ZINC000000125031    		 9 C13 H9 F3 N2 O2 InChI=1S/C13H9F3N2O2/c14-
    13(15,16)8-3-1-4-9(7-8)18
    -11-10(12(19)20)5-2-6-17-
    11/h1-7H,(H,17,18)(H,19,2
    0);
    JZFPYUNJRRFVQU-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2c(cccn2)C(=O)O)C(F)(F)F; O
    C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F; FC(F)(
    F)c1cc(ccc1)Nc2ncccc2C(=O)O    		 2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}NICOTINIC ACID;
    2-[(3-TRIFLUOROMETHYL)PHENYL]AMINO-3-PYRIDINE-CARBOXYLIC ACID
    30593
    NFM
    ZINC000032206129    		 2 C7 H10 N4 O InChI=1S/C7H10N4O/c1-5-10
    -3-6(2-9-4-12)7(8)11-5/h3
    -4H,2H2,1H3,(H,9,12)(H2,8
    ,10,11);
    PVWNFAGYFUUDRC-UHFFFAOYSA-N    		 O=CNCc1cnc(nc1N)C; Cc1ncc(c(n1)N)CNC=O;
    Cc1ncc(CNC=O)c(N)n1    		 N-[(4-amino-2-methylpyrimidin-5-yl)methyl]formamide
    30594
    NFN    		 2 C21 H21 N2 O5 S InChI=1S/C21H22N2O5S/c1-4
    -28-13-10-9-11-7-5-6-8-12
    (11)14(13)17(24)22-15-18(
    25)23-16(20(26)27)21(2,3)
    29-19(15)23/h5-10,15-16,1
    9H,4H2,1-3H3,(H,22,24)(H,
    26,27)/p-1/t15-,16+,19-/m
    1/s1;
    GPXLMGHLHQJAGZ-JTDSTZFVSA-M    		 CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@@H]4N(C3
    =O)[C@H](C(S4)(C)C)C(=O)[O-]; CCOc1ccc2c
    cccc2c1C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O
    )[O-]; O=C([O-])C3N4C(=O)C(NC(=O)c2c1ccc
    cc1ccc2OCC)C4SC3(C)C; CCOc1ccc2ccccc2c1C
    (=O)N[CH]3[CH]4SC(C)(C)[CH](N4C3=O)C([O-
    ])=O; CCOc1ccc2ccccc2c1C(=O)N[C@H]3[C@H]
    4SC(C)(C)[C@@H](N4C3=O)C([O-])=O    		 6-[[(2-ETHOXY-1-NAPHTHALENYL)CARBONYL]AMINO]-3,3-DIMETHYL-7-OXO-4-THIA-1-AZABICYCLO[3.2.0]HEPTANE-2-CARBOXYLATE
    30595
    NFO    		 2 C3 H2 Fe N Ni O3 InChI=1S/CN.2CHO.Fe.Ni.O/
    c3*1-2;;;/h;2*1H;;;;
    FQZPNHHVQDQMNS-UHFFFAOYSA-N    		 [Ni]O[Fe@](C=O)(C=O)C#N; [Ni]O[Fe](C=O)(
    C=O)C#N; C(=O)[Fe](C=O)(C#N)O[Ni]    		 NI-FE OXIDIZED ACTIVE CENTER
    30596
    NFP
    DB02869    		 0 C17 H19 N O2 S InChI=1S/C17H19NO2S/c18-1
    6(12-11-15-7-3-1-4-8-15)1
    3-14-21(19,20)17-9-5-2-6-
    10-17/h1-10,13-14,16H,11-
    12,18H2/t16-/m0/s1;
    ZPXIQFOUPUVVPU-INIZCTEOSA-N    		 N[CH](CCc1ccccc1)C=C[S](=O)(=O)c2ccccc2;
    c1ccc(cc1)CC[C@@H](/C=C/S(=O)(=O)c2cccc
    c2)N; N[C@@H](CCc1ccccc1)/C=C/[S](=O)(=O
    )c2ccccc2; O=S(=O)(/C=C/C(N)CCc1ccccc1)c
    2ccccc2; c1ccc(cc1)CCC(C=CS(=O)(=O)c2ccc
    cc2)N    		 (1E,3S)-5-phenyl-1-(phenylsulfonyl)pent-1-en-3-amine
    30597
    NFQ    		 10 C5 H8 N2 O4 InChI=1S/C5H8N2O4/c6-2-7-
    3(5(10)11)1-4(8)9/h2-3H,1
    H2,(H2,6,7)(H,8,9)(H,10,1
    1)/t3-/m0/s1;
    XTPIFIMCFHNJOH-VKHMYHEASA-N    		 [H]/N=C/N[C@@H](CC(=O)O)C(=O)O; OC(=O)C[
    CH](NC=N)C(O)=O; OC(=O)C[C@H](NC=N)C(O)=
    O; O=C(O)C(NC=[N@H])CC(=O)O; C(C(C(=O)O)
    NC=N)C(=O)O    		 N-[(E)-iminomethyl]-L-aspartic acid;
    N-formimino-L-Aspartate
    30598
    NFR    		 1 C3 H2 Fe N Ni O2 InChI=1S/CN.2CHO.Fe.Ni/c3
    *1-2;;/h;2*1H;;;
    WWDMWDTTWHCODG-UHFFFAOYSA-N    		 N#C[Fe]([Ni])(C=O)C=O; C(=O)[Fe](C=O)(C#
    N)[Ni]; [Ni]|[Fe](C=O)(C=O)C#N    		 NI-FE REDUCED ACTIVE CENTER
    30599
    NFS    		 9 Fe4 Ni S5 InChI=1S/4Fe.Ni.5S;
    DHBVHUGSWMHFLY-UHFFFAOYSA-N    		 S1[Fe][S]2[Fe]3[S]4[Fe]2[S]5[Fe]4[S]3[Ni
    ]51; [Ni]S[Fe]S[Fe]1S[Fe]S[Fe]S1; S1[Fe]
    [S]2[Fe]3[S@@]4[Ni]1[S@]5[Fe]4[S]3[Fe]52    		 FE(4)-NI(1)-S(5) CLUSTER
    30600
    NFT
    DB08270
    ZINC000016051593    		 1 C22 H29 F3 N4 O3 S InChI=1S/C22H29F3N4O3S/c1
    -14(2)13-19(21(30)28-12-1
    1-26)29-20(22(23,24)25)17
    -5-3-15(4-6-17)16-7-9-18(
    10-8-16)33(27,31)32/h3-10
    ,14,19-20,29H,11-13,26H2,
    1-2H3,(H,28,30)(H2,27,31,
    32)/t19-,20-/m0/s1;
    QPXXBNKMAHUXBB-PMACEKPBSA-N    		 CC(C)C[CH](N[CH](c1ccc(cc1)c2ccc(cc2)[S]
    (N)(=O)=O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@H
    ](N[C@@H](c1ccc(cc1)c2ccc(cc2)[S](N)(=O)
    =O)C(F)(F)F)C(=O)NCCN; CC(C)C[C@@H](C(=O
    )NCCN)N[C@@H](c1ccc(cc1)c2ccc(cc2)S(=O)(
    =O)N)C(F)(F)F; O=S(=O)(N)c2ccc(c1ccc(cc1
    )C(NC(C(=O)NCCN)CC(C)C)C(F)(F)F)cc2; CC(
    C)CC(C(=O)NCCN)NC(c1ccc(cc1)c2ccc(cc2)S(
    =O)(=O)N)C(F)(F)F    		 N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE
    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).

    • lydsfumich.edu | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218