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

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    [Click to hide 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    13601
    A1IJ2    		 1 C23 H16 F3 N3 O6 InChI=1S/C23H16F3N3O6/c1-
    27-17-7-5-11(9-18(17)35-2
    2(27)34)28-10-14(20(31)32
    )19(30)29(21(28)33)16-8-6
    -12-13(16)3-2-4-15(12)23(
    24,25)26/h2-5,7,9-10,16H,
    6,8H2,1H3,(H,31,32)/t16-/
    m0/s1;
    JDARDSVOVYVQST-INIZCTEOSA-N    		 CN1c2ccc(cc2OC1=O)N3C=C(C(=O)N(C3=O)C4CC
    c5c4cccc5C(F)(F)F)C(=O)O; CN1c2ccc(cc2OC
    1=O)N3C=C(C(=O)N(C3=O)[C@@H]4CCc5c4cccc5
    C(F)(F)F)C(=O)O; CN1C(=O)Oc2cc(ccc12)N3C
    =C(C(O)=O)C(=O)N([CH]4CCc5c4cccc5C(F)(F)
    F)C3=O; CN1C(=O)Oc2cc(ccc12)N3C=C(C(O)=O
    )C(=O)N([C@H]4CCc5c4cccc5C(F)(F)F)C3=O    		 1-(3-methyl-2-oxidanylidene-1,3-benzoxazol-6-yl)-2,4-bis(oxidanylidene)-3-[(1R)-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-5-carboxylic acid
    13602
    A1IJ3    		 1 C23 H19 F3 N4 O5 InChI=1S/C23H19F3N4O5/c1-
    13-14(3-2-4-18(13)23(24,2
    5)26)11-30-19(31)17(20(32
    )33)12-29(22(30)35)16-7-5
    -15(6-8-16)28-10-9-27-21(
    28)34/h2-8,12H,9-11H2,1H3
    ,(H,27,34)(H,32,33);
    MUZPDPKTCZSNCS-UHFFFAOYSA-N    		 Cc1c(CN2C(=O)N(C=C(C(O)=O)C2=O)c3ccc(cc3
    )N4CCNC4=O)cccc1C(F)(F)F; Cc1c(cccc1C(F)
    (F)F)CN2C(=O)C(=CN(C2=O)c3ccc(cc3)N4CCNC
    4=O)C(=O)O    		 3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)-1-[4-(2-oxidanylideneimidazolidin-1-yl)phenyl]pyrimidine-5-carboxylic acid
    13603
    A1IJ4    		 0 C12 H18 N2 O3 InChI=1S/C12H18N2O3/c13-9
    -10-4-3-5-11(8-10)17-7-2-
    1-6-14-12(15)16/h3-5,8,14
    H,1-2,6-7,9,13H2,(H,15,16
    );
    PPXAKERDFHSDMN-UHFFFAOYSA-N    		 NCc1cccc(OCCCCNC(O)=O)c1; c1cc(cc(c1)OCC
    CCNC(=O)O)CN    		 4-[3-(aminomethyl)phenoxy]butylcarbamic acid
    13604
    A1IJ5    		 1 C33 H32 N8 O3 InChI=1S/C33H32N8O3/c1-20
    (41-32-28(31(34)36-19-37-
    32)29(38-41)23-15-24(42)1
    7-35-16-23)30-27(25-8-3-4
    -9-26(25)33(43)44-30)22-7
    -5-6-21(14-22)18-40-12-10
    -39(2)11-13-40/h3-9,14-17
    ,19-20,42H,10-13,18H2,1-2
    H3,(H2,34,36,37)/t20-/m0/
    s1;
    JSUNXOYZTNBLOP-FQEVSTJZSA-N    		 CC(C1=C(c2ccccc2C(=O)O1)c3cccc(c3)CN4CCN
    (CC4)C)n5c6c(c(n5)c7cc(cnc7)O)c(ncn6)N;
    C[C@H](n1nc(c2cncc(O)c2)c3c(N)ncnc13)C4=
    C(c5cccc(CN6CCN(C)CC6)c5)c7ccccc7C(=O)O4
    ; C[C@@H](C1=C(c2ccccc2C(=O)O1)c3cccc(c3
    )CN4CCN(CC4)C)n5c6c(c(n5)c7cc(cnc7)O)c(n
    cn6)N; C[CH](n1nc(c2cncc(O)c2)c3c(N)ncnc
    13)C4=C(c5cccc(CN6CCN(C)CC6)c5)c7ccccc7C
    (=O)O4    		 3-[(1S)-1-[4-azanyl-3-(5-oxidanylpyridin-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]isochromen-1-one
    13605
    A1IJ8    		 1 C23 H22 Cl F N6 O InChI=1S/C23H22ClFN6O/c1-
    4-31-21-13-8-19(23(26)27-
    10-13)32-12(2)17-9-15(25)
    5-6-16(17)20-14(11-30(3)2
    8-20)7-18(21)22(24)29-31/
    h5-6,8-12H,4,7H2,1-3H3,(H
    2,26,27)/t12-/m1/s1;
    FWZSCAQEBTVTOM-GFCCVEGCSA-N    		 CCn1c-2c(c(n1)Cl)Cc3cn(nc3-c4ccc(cc4C(Oc
    5cc2cnc5N)C)F)C; CCn1nc(Cl)c2Cc3cn(C)nc3
    c4ccc(F)cc4[CH](C)Oc5cc(cnc5N)c12; CCn1c
    -2c(c(n1)Cl)Cc3cn(nc3-c4ccc(cc4[C@H](Oc5
    cc2cnc5N)C)F)C; CCn1nc(Cl)c2Cc3cn(C)nc3c
    4ccc(F)cc4[C@@H](C)Oc5cc(cnc5N)c12    		 NVL-655;
    (14R)-5-Chloro-7-ethyl-16-fluoro-2,14-dihydro-2,14-dimethyl-7H-8,12-metheno-4H-dipyrazolo[3,4-h:4',3'-k][2,5]benzoxaazacyclotetradecin-11-amine;
    7H-8,12-Metheno-4H-dipyrazolo[3,4-h:4',3'-k][2,5]benzoxaazacyclotetradecin- 11-amine, 5-chloro-7-ethyl-16-fluoro-2,14-dihydro- 2,14-dimethyl-, (14R)-
    13606
    A1IJK    		 10 C27 H27 N O8 InChI=1S/C27H27NO8/c1-15(
    29)14-35-10-2-9-28-26(32)
    16-3-6-19(27(33)34)22(11-
    16)25-20-7-4-17(30)12-23(
    20)36-24-13-18(31)5-8-21(
    24)25/h3-8,11,15,29,36H,2
    ,9-10,12-14H2,1H3,(H,28,3
    2)(H,33,34)/t15-/m1/s1;
    GVYCNBHUBWDBFF-OAHLLOKOSA-N    		 CC(COCCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=O)CC
    3=[OH]C4=C2C=CC(=O)C4)C(=O)O)O; C[C@H](C
    OCCCNC(=O)c1ccc(c(c1)C2=C3C=CC(=O)CC3=[O
    H]C4=C2C=CC(=O)C4)C(=O)O)O; C[C@@H](O)CO
    CCCNC(=O)c1ccc(C(O)=O)c(c1)c2c3C=CC(=O)C
    c3[oH]c4CC(=O)C=Cc24; C[CH](O)COCCCNC(=O
    )c1ccc(C(O)=O)c(c1)c2c3C=CC(=O)Cc3[oH]c4
    CC(=O)C=Cc24    		 2-[3,6-bis(oxidanylidene)-4,5-dihydroxanthen-9-yl]-4-[3-[(2R)-2-oxidanylpropoxy]propylcarbamoyl]benzoic acid
    13607
    A1IJL    		 2 C24 H21 F3 N6 O2 InChI=1S/C24H21F3N6O2/c1-
    31-10-9-19(29-31)20(13-34
    )28-23(35)14-3-8-21-17(11
    -14)18-12-32(2)30-22(18)3
    3(21)16-6-4-15(5-7-16)24(
    25,26)27/h3-12,20,34H,13H
    2,1-2H3,(H,28,35)/t20-/m1
    /s1;
    OQLMDCHCWZTHBV-HXUWFJFHSA-N    		 Cn1ccc(n1)[C@@H](CO)NC(=O)c2ccc3n(c4ccc(
    cc4)C(F)(F)F)c5nn(C)cc5c3c2; Cn1ccc(n1)[
    C@@H](CO)NC(=O)c2ccc3c(c2)c4cn(nc4n3c5cc
    c(cc5)C(F)(F)F)C; Cn1ccc(n1)C(CO)NC(=O)c
    2ccc3c(c2)c4cn(nc4n3c5ccc(cc5)C(F)(F)F)C
    ; Cn1ccc(n1)[CH](CO)NC(=O)c2ccc3n(c4ccc(
    cc4)C(F)(F)F)c5nn(C)cc5c3c2    		 2-methyl-~{N}-[(1~{S})-1-(1-methylpyrazol-3-yl)-2-oxidanyl-ethyl]-4-[4-(trifluoromethyl)phenyl]pyrazolo[3,4-b]indole-7-carboxamide
    13608
    A1IJM    		 2 C14 H16 N2 O4 InChI=1S/C14H16N2O4/c1-15
    -13(18)8-20-10-4-2-9(3-5-
    10)11-6-7-12(17)16-14(11)
    19/h2-5,11H,6-8H2,1H3,(H,
    15,18)(H,16,17,19)/t11-/m
    1/s1;
    XHRWBMHYHBGQDM-LLVKDONJSA-N    		 CNC(=O)COc1ccc(cc1)[CH]2CCC(=O)NC2=O; CN
    C(=O)COc1ccc(cc1)C2CCC(=O)NC2=O; CNC(=O)
    COc1ccc(cc1)[C@H]2CCC(=O)NC2=O    		 2-[4-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]phenoxy]-~{N}-methyl-ethanamide
    13609
    A1IJO    		 1 C21 H17 F3 N2 O5 InChI=1S/C21H17F3N2O5/c1-
    12-13(4-3-5-17(12)21(22,2
    3)24)10-26-18(27)16(19(28
    )29)11-25(20(26)30)14-6-8
    -15(31-2)9-7-14/h3-9,11H,
    10H2,1-2H3,(H,28,29);
    WMYXGENPWOLFCF-UHFFFAOYSA-N    		 Cc1c(cccc1C(F)(F)F)CN2C(=O)C(=CN(C2=O)c3
    ccc(cc3)OC)C(=O)O; COc1ccc(cc1)N2C=C(C(O
    )=O)C(=O)N(Cc3cccc(c3C)C(F)(F)F)C2=O    		 1-(4-methoxyphenyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-2,4-bis(oxidanylidene)pyrimidine-5-carboxylic acid
    13610
    A1IJV    		 1 ? InChI=1S/C20H16F3N3O6/c1-
    31-14-7-6-13(9-15(14)32-2
    )26-19(30)25(17(27)16(24-
    26)18(28)29)10-11-4-3-5-1
    2(8-11)20(21,22)23/h3-9H,
    10H2,1-2H3,(H,28,29);
    GZAVJDPTXDYRLB-UHFFFAOYSA-N    		 COc1ccc(cc1OC)N2N=C(C(O)=O)C(=O)N(Cc3ccc
    c(c3)C(F)(F)F)C2=O; COc1ccc(cc1OC)N2C(=O
    )N(C(=O)C(=N2)C(=O)O)Cc3cccc(c3)C(F)(F)F    		 2-(3,4-dimethoxyphenyl)-3,5-bis(oxidanylidene)-4-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazine-6-carboxylic acid
    13611
    A1IJW    		 3 C21 H28 N4 O6 InChI=1S/C21H28N4O6/c1-12
    (18(26)25-11-3-5-16(25)20
    (28)29)23-17(21(30)31)15-
    4-2-10-24(15)19(27)13-6-8
    -14(22)9-7-13/h6-9,12,15-
    17,23H,2-5,10-11,22H2,1H3
    ,(H,28,29)(H,30,31)/t12-,
    15-,16-,17-/m0/s1;
    ISIYJLZCUJDFPZ-STECZYCISA-N    		 C[C@H](N[C@@H]([C@@H]1CCCN1C(=O)c2ccc(N)
    cc2)C(O)=O)C(=O)N3CCC[C@H]3C(O)=O; C[CH]
    (N[CH]([CH]1CCCN1C(=O)c2ccc(N)cc2)C(O)=O
    )C(=O)N3CCC[CH]3C(O)=O; CC(C(=O)N1CCCC1C
    (=O)O)NC(C2CCCN2C(=O)c3ccc(cc3)N)C(=O)O;
    C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H](
    [C@@H]2CCCN2C(=O)c3ccc(cc3)N)C(=O)O    		 (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-aminophenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    13612
    A1IJX    		 2 C19 H30 N4 O8 InChI=1S/C19H30N4O8/c1-10
    (16(26)23-9-3-5-13(23)18(
    28)29)21-15(19(30)31)12-4
    -2-8-22(12)17(27)11(20)6-
    7-14(24)25/h10-13,15,21H,
    2-9,20H2,1H3,(H,24,25)(H,
    28,29)(H,30,31)/t10-,11-,
    12-,13-,15-/m0/s1;
    IGMKHUYAVWRMEJ-CXOVXGEYSA-N    		 C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)CCC(O)
    =O)C(O)=O)C(=O)N2CCC[CH]2C(O)=O; CC(C(=O
    )N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(CCC(=O)O
    )N)C(=O)O; C[C@@H](C(=O)N1CCC[C@H]1C(=O)
    O)N[C@@H]([C@@H]2CCCN2C(=O)[C@H](CCC(=O)
    O)N)C(=O)O; C[C@H](N[C@@H]([C@@H]1CCCN1C
    (=O)[C@@H](N)CCC(O)=O)C(O)=O)C(=O)N2CCC[
    C@H]2C(O)=O    		 (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid;
    3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannose;
    3,4-di-O-acetyl-6-O-sulfamoyl-D-mannose;
    3,4-di-O-acetyl-6-O-sulfamoyl-mannose
    13613
    A1IJY    		 3 C22 H27 N3 O8 InChI=1S/C22H27N3O8/c1-12
    (18(26)25-11-3-5-16(25)21
    (30)31)23-17(22(32)33)15-
    4-2-10-24(15)19(27)13-6-8
    -14(9-7-13)20(28)29/h6-9,
    12,15-17,23H,2-5,10-11H2,
    1H3,(H,28,29)(H,30,31)(H,
    32,33)/t12-,15-,16-,17-/m
    0/s1;
    GJBTVPBNLBQCQT-STECZYCISA-N    		 C[CH](N[CH]([CH]1CCCN1C(=O)c2ccc(cc2)C(O
    )=O)C(O)=O)C(=O)N3CCC[CH]3C(O)=O; C[C@H]
    (N[C@@H]([C@@H]1CCCN1C(=O)c2ccc(cc2)C(O)
    =O)C(O)=O)C(=O)N3CCC[C@H]3C(O)=O; C[C@@H
    ](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([C@@H]2
    CCCN2C(=O)c3ccc(cc3)C(=O)O)C(=O)O; CC(C(
    =O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)c3ccc(cc
    3)C(=O)O)C(=O)O    		 (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-(4-carboxyphenyl)carbonylpyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    13614
    A1IJZ    		 3 C23 H32 N4 O6 InChI=1S/C23H32N4O6/c1-14
    (20(28)27-12-6-10-18(27)2
    2(30)31)25-19(23(32)33)17
    -9-5-11-26(17)21(29)16(24
    )13-15-7-3-2-4-8-15/h2-4,
    7-8,14,16-19,25H,5-6,9-13
    ,24H2,1H3,(H,30,31)(H,32,
    33)/t14-,16-,17-,18-,19-/
    m0/s1;
    NUJBMBAZXCRUTK-GBBGEASQSA-N    		 C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)N[C@@H]([
    C@@H]2CCCN2C(=O)[C@H](Cc3ccccc3)N)C(=O)O
    ; C[C@H](N[C@@H]([C@@H]1CCCN1C(=O)[C@@H]
    (N)Cc2ccccc2)C(O)=O)C(=O)N3CCC[C@H]3C(O)
    =O; C[CH](N[CH]([CH]1CCCN1C(=O)[CH](N)Cc
    2ccccc2)C(O)=O)C(=O)N3CCC[CH]3C(O)=O; CC
    (C(=O)N1CCCC1C(=O)O)NC(C2CCCN2C(=O)C(Cc3
    ccccc3)N)C(=O)O    		 (2S)-1-[(2S)-2-[[(1S)-1-[(2S)-1-[(2S)-2-azanyl-3-phenyl-propanoyl]pyrrolidin-2-yl]-2-oxidanyl-2-oxidanylidene-ethyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
    13615
    A1IK2    		 1 C17 H21 N3 O5 S InChI=1S/C17H21N3O5S/c1-2
    4-13-8-6-12(7-9-13)14-11-
    26-17(18-14)16(22)20-25-1
    0-4-2-3-5-15(21)19-23/h6-
    9,11,23H,2-5,10H2,1H3,(H,
    19,21)(H,20,22);
    LAFLKLWIJPLLQL-UHFFFAOYSA-N    		 COc1ccc(cc1)c2csc(n2)C(=O)NOCCCCCC(=O)NO 4-(4-methoxyphenyl)-~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-1,3-thiazole-2-carboxamide
    13616
    A1IKG    		 1 C22 H18 F3 N O4 InChI=1S/C22H18F3NO4/c1-1
    3-20(21(27)18-12-28-11-10
    -19(18)26-13)14-2-4-15(5-
    3-14)29-16-6-8-17(9-7-16)
    30-22(23,24)25/h2-9,20H,1
    0-12H2,1H3/t20-/m0/s1;
    KAKRHIRXYVSXMS-FQEVSTJZSA-N    		 CC1=NC2=C(COCC2)C(=O)[C@@H]1c3ccc(Oc4ccc
    (OC(F)(F)F)cc4)cc3; CC1=NC2=C(COCC2)C(=O
    )C1c3ccc(cc3)Oc4ccc(cc4)OC(F)(F)F; CC1=N
    C2=C(COCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(
    F)F)cc4)cc3    		 2-methyl-3-(4-(4-(trifluoromethoxy)phenoxy)phenyl)-1,5,7,8-tetrahydro-4H-pyrano[4,3-b]pyridin-4-one;
    2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-3,5,7,8-tetrahydropyrano[4,3-b]pyridin-4-one
    13617
    A1IKR    		 1 C8 H10 B O3 InChI=1S/C8H10BO3/c10-9(1
    1,12)7-6-8-4-2-1-3-5-8/h1
    -7,10-12H/b7-6+;
    GARKQUWSHKJXJF-VOTSOKGWSA-N    		 O[B](O)(O)C=Cc1ccccc1; B(/C=C/c1ccccc1)(
    O)(O)O; O[B](O)(O)/C=C/c1ccccc1; B(C=Cc1
    ccccc1)(O)(O)O    		 tris(oxidanyl)-[(~{E})-2-phenylethenyl]boron
    13618
    A1IKU    		 2 C7 H10 B O3 InChI=1S/C7H10BO3/c1-6-2-
    4-7(5-3-6)8(9,10)11/h2-5,
    9-11H,1H3;
    BBVYZRUHVNLQBZ-UHFFFAOYSA-N    		 B(c1ccc(cc1)C)(O)(O)O; Cc1ccc(cc1)[B](O)
    (O)O    		 (4-methylphenyl)-tris(oxidanyl)boron
    13619
    A1IKW    		 1 C28 H20 F N5 O3 InChI=1S/C28H20FN5O3/c1-1
    5(25-22(16-7-3-2-4-8-16)2
    0-9-5-6-10-21(20)28(36)37
    -25)34-27-23(26(30)31-14-
    32-27)24(33-34)17-11-18(2
    9)13-19(35)12-17/h2-15,35
    H,1H3,(H2,30,31,32)/t15-/
    m0/s1;
    JHPVAFKJRDQHCS-HNNXBMFYSA-N    		 CC(C1=C(c2ccccc2C(=O)O1)c3ccccc3)n4c5c(c
    (n4)c6cc(cc(c6)F)O)c(ncn5)N; C[CH](n1nc(
    c2cc(O)cc(F)c2)c3c(N)ncnc13)C4=C(c5ccccc
    5)c6ccccc6C(=O)O4; C[C@H](n1nc(c2cc(O)cc
    (F)c2)c3c(N)ncnc13)C4=C(c5ccccc5)c6ccccc
    6C(=O)O4; C[C@@H](C1=C(c2ccccc2C(=O)O1)c
    3ccccc3)n4c5c(c(n4)c6cc(cc(c6)F)O)c(ncn5
    )N    		 3-[(1~{S})-1-[4-azanyl-3-(3-fluoranyl-5-oxidanyl-phenyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-4-phenyl-isochromen-1-one
    13620
    A1IKY    		 1 C20 H26 N4 O4 S InChI=1S/C20H26N4O4S/c25-
    18(22-27)6-2-1-5-13-28-23
    -19(26)20-21-17(14-29-20)
    15-7-9-16(10-8-15)24-11-3
    -4-12-24/h7-10,14,27H,1-6
    ,11-13H2,(H,22,25)(H,23,2
    6);
    KBLCAMIJGLOLHZ-UHFFFAOYSA-N    		 c1cc(ccc1c2csc(n2)C(=O)NOCCCCCC(=O)NO)N3
    CCCC3; ONC(=O)CCCCCONC(=O)c1scc(n1)c2ccc
    (cc2)N3CCCC3    		 ~{N}-[6-(oxidanylamino)-6-oxidanylidene-hexoxy]-4-(4-pyrrolidin-1-ylphenyl)-1,3-thiazolidine-2-carboxamide
    13621
    A1IL0    		 1 C27 H29 Cl N4 O3 InChI=1S/C27H29ClN4O3/c1-
    29-26(34)24(14-18-9-11-20
    (28)12-10-18)31(2)25(33)1
    5-21-7-5-13-32(21)27(35)2
    3-17-30-16-19-6-3-4-8-22(
    19)23/h3-4,6,8-12,16-17,2
    1,24H,5,7,13-15H2,1-2H3,(
    H,29,34)/t21-,24-/m1/s1;
    UIMIIFFPUAFUFK-ZJSXRUAMSA-N    		 CNC(=O)[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)C[C
    @H]2CCCN2C(=O)c3cncc4ccccc34; CNC(=O)C(C
    c1ccc(cc1)Cl)N(C)C(=O)CC2CCCN2C(=O)c3cnc
    c4c3cccc4; CNC(=O)[C@@H](Cc1ccc(cc1)Cl)N
    (C)C(=O)C[C@H]2CCCN2C(=O)c3cncc4c3cccc4;
    CNC(=O)[CH](Cc1ccc(Cl)cc1)N(C)C(=O)C[CH
    ]2CCCN2C(=O)c3cncc4ccccc34    		 (2~{R})-3-(4-chlorophenyl)-2-[2-[(2~{R})-1-isoquinolin-4-ylcarbonylpyrrolidin-2-yl]ethanoyl-methyl-amino]-~{N}-methyl-propanamide
    13622
    A1IL1    		 1 C9 H10 F3 N3 O2 InChI=1S/C9H10F3N3O2/c10-
    9(11,12)6-1-2-7(14-4-3-13
    )8(5-6)15(16)17/h1-2,5,14
    H,3-4,13H2;
    ZKBIYCKAMFKCNV-UHFFFAOYSA-N    		 c1cc(c(cc1C(F)(F)F)N(=O)=O)NCCN; NCCNc1c
    cc(cc1[N](=O)=O)C(F)(F)F    		 ~{N}'-[2-nitro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
    13623
    A1IL5    		 1 C44 H69 N5 O10 InChI=1S/C44H69N5O10/c1-3
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-28-40(52)48(5
    6)29-22-21-26-36(46-41(53
    )37-32-58-42(47-37)34-24-
    18-19-27-38(34)50)44(55)5
    9-33(2)31-39(51)45-35-25-
    20-23-30-49(57)43(35)54/h
    17-19,24,27-28,33,35-37,5
    0,56-57H,3-16,20-23,25-26
    ,29-32H2,1-2H3,(H,45,51)(
    H,46,53)/t33-,35-,36+,37+
    /m1/s1;
    DQMISKWZRFJSGS-NSWFQPGNSA-N    		 CCCCCCCCCCCCCCCC=CC(=O)N(CCCC[C@@H](C(=O
    )O[C@H](C)CC(=O)N[C@@H]1CCCCN(C1=O)O)NC(
    =O)[C@@H]2COC(=N2)c3ccccc3O)O; CCCCCCCCC
    CCCCCCC=CC(=O)N(O)CCCC[CH](NC(=O)[CH]1CO
    C(=N1)c2ccccc2O)C(=O)O[CH](C)CC(=O)N[CH]
    3CCCCN(O)C3=O; CCCCCCCCCCCCCCCC=CC(=O)N(
    CCCCC(C(=O)OC(C)CC(=O)NC1CCCCN(C1=O)O)NC
    (=O)C2COC(=N2)c3ccccc3O)O; CCCCCCCCCCCCC
    CC\C=C/C(=O)N(O)CCCC[C@H](NC(=O)[C@@H]1C
    OC(=N1)c2ccccc2O)C(=O)O[C@H](C)CC(=O)N[C
    @@H]3CCCCN(O)C3=O    		 Mycobactin S;
    [(2R)-4-oxidanylidene-4-[[(3R)-1-oxidanyl-2-oxidanylidene-azepan-3-yl]amino]butan-2-yl] (2S)-2-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazol-4-yl]carbonylamino]-6-[octadec-2-enoyl(oxidanyl)amino]hexanoate;
    [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
    13624
    A1IL7    		 2 C28 H32 Cl N3 O4 InChI=1S/C28H32ClN3O4/c29
    -23-11-9-20(10-12-23)16-2
    5-28(35)36-14-5-3-1-2-4-7
    -21-15-22(19-30-18-21)27(
    34)32-13-6-8-24(32)17-26(
    33)31-25/h4,7,9-12,15,18-
    19,24-25H,1-3,5-6,8,13-14
    ,16-17H2,(H,31,33)/b7-4-/
    t24-,25-/m1/s1;
    QQCDLDDDFKLBFB-IWVCFUSFSA-N    		 c1cc(ccc1CC2C(=O)OCCCCCC=Cc3cc(cnc3)C(=O
    )N4CCCC4CC(=O)N2)Cl; c1cc(ccc1C[C@@H]2C(
    =O)OCCCCC/C=C/c3cc(cnc3)C(=O)N4CCC[C@@H]
    4CC(=O)N2)Cl; Clc1ccc(C[C@H]2NC(=O)C[C@H
    ]3CCCN3C(=O)c4cncc(\C=C\CCCCCOC2=O)c4)cc
    1; Clc1ccc(C[CH]2NC(=O)C[CH]3CCCN3C(=O)c
    4cncc(C=CCCCCCOC2=O)c4)cc1    		 (7~{R},11~{R},19~{E})-11-[(4-chlorophenyl)methyl]-13-oxa-3,10,23-triazatricyclo[19.3.1.0^{3,7}]pentacosa-1(24),19,21(25),22-tetraene-2,9,12-trione
    13625
    A1ILG    		 1 C7 H12 O5 InChI=1S/C7H12O5/c8-1-2-3
    (9)4(10)5(11)7-6(2)12-7/h
    2-11H,1H2/t2-,3-,4+,5-,6+
    ,7-/m1/s1;
    YQLWKYQDOQEWRD-XQCVOTFFSA-N    		 C([C@@H]1[C@H]([C@@H]([C@H]([C@@H]2[C@H]
    1O2)O)O)O)O; OC[CH]1[CH](O)[CH](O)[CH](O
    )[CH]2O[CH]12; OC[C@@H]1[C@@H](O)[C@H](O
    )[C@@H](O)[C@H]2O[C@@H]12; C(C1C(C(C(C2C
    1O2)O)O)O)O    		 (1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
    13626
    A1ILH    		 1 C31 H41 N7 O6 InChI=1S/C31H41N7O6/c1-19
    -23-10-9-22-8-7-21(15-26(
    22)35-23)11-12-31(16-43-1
    8-44-17-31)30(42)36-24(5-
    3-13-32)27(39)34-20(2)29(
    41)38-14-4-6-25(37-38)28(
    40)33-19/h7-12,15,19-20,2
    4-25,37H,3-6,13-14,16-18,
    32H2,1-2H3,(H,33,40)(H,34
    ,39)(H,36,42)/b12-11+/t19
    -,20+,24+,25+/m1/s1;
    PVLNMJCQMSIFFD-WHYDHWCJSA-N    		 C[C@@H]1c2ccc3ccc(cc3n2)/C=C/C4(COCOC4)C
    (=O)N[C@H](C(=O)N[C@H](C(=O)N5CCC[C@H](N
    5)C(=O)N1)C)CCCN; C[C@@H]1NC(=O)[C@H](CC
    CN)NC(=O)C2(COCOC2)\C=C\c3ccc4ccc(nc4c3)
    [C@@H](C)NC(=O)[C@@H]5CCC[N@@](N5)C1=O;
    CC1c2ccc3ccc(cc3n2)C=CC4(COCOC4)C(=O)NC(
    C(=O)NC(C(=O)N5CCCC(N5)C(=O)N1)C)CCCN; C
    [CH]1NC(=O)[CH](CCCN)NC(=O)C2(COCOC2)C=C
    c3ccc4ccc(nc4c3)[CH](C)NC(=O)[CH]5CCC[N]
    (N5)C1=O    		 (2R,3S,7S,10S,E)-10-(3-aminopropyl)-2,7-dimethylspiro[3,8,11-triaza-1(2,7)-quinolina-5(3,1)-pyridazinacyclopentadecaphanene-13,5'-[1,3]dioxan]-14-ene-4,6,9,12-tetraone
    13627
    A1ILO    		 1 C16 H18 F N3 O4 InChI=1S/C16H18FN3O4/c1-3
    -13-14(8(2)20-24-13)9-4-1
    0(6-11(17)5-9)15(21)19-7-
    12(18)16(22)23/h4-6,12H,3
    ,7,18H2,1-2H3,(H,19,21)(H
    ,22,23)/t12-/m1/s1;
    YRVGMGPKUOMUSA-GFCCVEGCSA-N    		 CCc1onc(C)c1c2cc(F)cc(c2)C(=O)NC[CH](N)C
    (O)=O; CCc1c(c(no1)C)c2cc(cc(c2)F)C(=O)N
    C[C@H](C(=O)O)N; CCc1onc(C)c1c2cc(F)cc(c
    2)C(=O)NC[C@@H](N)C(O)=O; CCc1c(c(no1)C)
    c2cc(cc(c2)F)C(=O)NCC(C(=O)O)N    		 (2~{R})-2-azanyl-3-[[3-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
    13628
    A1ILP    		 1 C15 H16 F N3 O4 InChI=1S/C15H16FN3O4/c1-2
    -13-11(6-19-23-13)8-3-9(5
    -10(16)4-8)14(20)18-7-12(
    17)15(21)22/h3-6,12H,2,7,
    17H2,1H3,(H,18,20)(H,21,2
    2)/t12-/m1/s1;
    SFERCLORGFKWPI-GFCCVEGCSA-N    		 CCc1c(cno1)c2cc(cc(c2)F)C(=O)NCC(C(=O)O)
    N; CCc1oncc1c2cc(F)cc(c2)C(=O)NC[CH](N)C
    (O)=O; CCc1oncc1c2cc(F)cc(c2)C(=O)NC[C@@
    H](N)C(O)=O; CCc1c(cno1)c2cc(cc(c2)F)C(=
    O)NC[C@H](C(=O)O)N    		 (2~{R})-2-azanyl-3-[[3-(5-ethyl-1,2-oxazol-4-yl)-5-fluoranyl-phenyl]carbonylamino]propanoic acid
    13629
    A1ILQ    		 1 C15 H18 N2 O3 S InChI=1S/C15H18N2O3S/c16-
    12(15(19)20)8-17-14(18)13
    -7-11(9-21-13)6-10-4-2-1-
    3-5-10/h1-5,7,12,21H,6,8-
    9,16H2,(H,17,18)(H,19,20)
    /t12-/m1/s1;
    UBQLVUMTHGMNEN-GFCCVEGCSA-N    		 c1ccc(cc1)CC2=CC(=SC2)C(=O)NCC(C(=O)O)N;
    N[C@H](CNC(=O)C1=[SH]CC(=C1)Cc2ccccc2)C
    (O)=O; c1ccc(cc1)CC2=CC(=SC2)C(=O)NC[C@H
    ](C(=O)O)N; N[CH](CNC(=O)C1=[SH]CC(=C1)C
    c2ccccc2)C(O)=O    		 (2~{R})-2-azanyl-3-[[3-(phenylmethyl)-2~{H}-thiophen-5-yl]carbonylamino]propanoic acid
    13630
    A1ILR    		 1 C8 H12 N2 O3 S InChI=1S/C8H12N2O3S/c9-5(
    8(12)13)4-10-7(11)6-2-1-3
    -14-6/h1-2,5,14H,3-4,9H2,
    (H,10,11)(H,12,13)/t5-/m1
    /s1;
    LLJIKQBQQAOIEI-RXMQYKEDSA-N    		 C1C=CC(=S1)C(=O)NCC(C(=O)O)N; C1C=CC(=S1
    )C(=O)NC[C@H](C(=O)O)N; N[CH](CNC(=O)C1=
    [SH]CC=C1)C(O)=O; N[C@H](CNC(=O)C1=[SH]C
    C=C1)C(O)=O    		 (2~{R})-2-azanyl-3-(2~{H}-thiophen-5-ylcarbonylamino)propanoic acid
    13631
    A1ILS    		 2 C20 H23 N3 O3 InChI=1S/C20H23N3O3/c1-2-
    12-6-3-4-7-13(12)14-8-5-9
    -17-15(14)10-18(23-17)19(
    24)22-11-16(21)20(25)26/h
    3-9,16,18,23H,2,10-11,21H
    2,1H3,(H,22,24)(H,25,26)/
    t16-,18?/m1/s1;
    NJILSLRVWSRFNN-PYUWXLGESA-N    		 CCc1ccccc1c2cccc3c2CC(N3)C(=O)NC[C@H](C(
    =O)O)N; CCc1ccccc1c2cccc3c2CC(N3)C(=O)NC
    C(C(=O)O)N; CCc1ccccc1c2cccc3N[C@@H](Cc2
    3)C(=O)NC[C@@H](N)C(O)=O; CCc1ccccc1c2cc
    cc3N[CH](Cc23)C(=O)NC[CH](N)C(O)=O    		 (2~{R})-2-azanyl-3-[[4-(2-ethylphenyl)-2,3-dihydro-1~{H}-indol-2-yl]carbonylamino]propanoic acid
    13632
    A1ILT    		 1 C12 H12 Br F N2 O3 S InChI=1S/C12H12BrFN2O3S/c
    13-6-1-2-7(14)5-3-9(20-10
    (5)6)11(17)16-4-8(15)12(1
    8)19/h1-2,8,20H,3-4,15H2,
    (H,16,17)(H,18,19)/t8-/m1
    /s1;
    JJQWSFTXAIAWHD-MRVPVSSYSA-N    		 c1cc(c2c(c1F)CC(=S2)C(=O)NCC(C(=O)O)N)Br
    ; N[CH](CNC(=O)C1=[SH]c2c(Br)ccc(F)c2C1)
    C(O)=O; c1cc(c2c(c1F)CC(=S2)C(=O)NC[C@H]
    (C(=O)O)N)Br; N[C@H](CNC(=O)C1=[SH]c2c(B
    r)ccc(F)c2C1)C(O)=O    		 (2~{R})-2-azanyl-3-[(7-bromanyl-4-fluoranyl-3~{H}-1-benzothiophen-2-yl)carbonylamino]propanoic acid
    13633
    A1ILU    		 3 C27 H35 Cl N4 O3 InChI=1S/C27H35ClN4O3/c1-
    3-26(33)32(18(2)19-4-6-20
    (28)7-5-19)23-9-12-24(13-
    10-23)35-25-11-8-21(16-25
    )30-27(34)31-22-14-15-29-
    17-22/h4-7,9-10,12-13,18,
    21-22,25,29H,3,8,11,14-17
    H2,1-2H3,(H2,30,31,34)/t1
    8-,21+,22-,25+/m0/s1;
    OBAWQNBXGOBMNW-RJIVXFJJSA-N    		 CCC(=O)N(c1ccc(cc1)O[C@@H]2CC[C@H](C2)NC
    (=O)N[C@H]3CCNC3)[C@@H](C)c4ccc(cc4)Cl;
    CCC(=O)N([C@@H](C)c1ccc(Cl)cc1)c2ccc(O[C
    @@H]3CC[C@H](C3)NC(=O)N[C@H]4CCNC4)cc2;
    CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2ccc(O[CH]
    3CC[CH](C3)NC(=O)N[CH]4CCNC4)cc2; CCC(=O
    )N(c1ccc(cc1)OC2CCC(C2)NC(=O)NC3CCNC3)C(
    C)c4ccc(cc4)Cl    		 ~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]-~{N}-[4-[(1~{R},3~{R})-3-[[(3~{S})-pyrrolidin-3-yl]carbamoylamino]cyclopentyl]oxyphenyl]propanamide
    13634
    A1ILV    		 1 C25 H33 Cl N2 O3 InChI=1S/C25H33ClN2O3/c1-
    4-24(29)28(23(16-25(2,3)3
    0)17-5-7-18(26)8-6-17)20-
    10-13-21(14-11-20)31-22-1
    2-9-19(27)15-22/h5-8,10-1
    1,13-14,19,22-23,30H,4,9,
    12,15-16,27H2,1-3H3/t19-,
    22-,23+/m1/s1;
    KGKDJAZMGJFCBA-PTUXOGIPSA-N    		 CCC(=O)N(c1ccc(cc1)O[C@@H]2CC[C@H](C2)N)
    [C@@H](CC(C)(C)O)c3ccc(cc3)Cl; CCC(=O)N(
    [C@@H](CC(C)(C)O)c1ccc(Cl)cc1)c2ccc(O[C@
    @H]3CC[C@@H](N)C3)cc2; CCC(=O)N(c1ccc(cc
    1)OC2CCC(C2)N)C(CC(C)(C)O)c3ccc(cc3)Cl;
    CCC(=O)N([CH](CC(C)(C)O)c1ccc(Cl)cc1)c2c
    cc(O[CH]3CC[CH](N)C3)cc2    		 ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)-3-methyl-3-oxidanyl-butyl]propanamide
    13635
    A1ILW    		 1 C28 H34 Cl F N4 O6 S InChI=1S/C28H34ClFN4O6S/c
    1-2-27(36)34(24(15-26(31)
    35)17-3-5-18(29)6-4-17)21
    -8-10-25(23(30)14-21)40-2
    2-9-7-19(13-22)32-28(37)3
    3-20-11-12-41(38,39)16-20
    /h3-6,8,10,14,19-20,22,24
    H,2,7,9,11-13,15-16H2,1H3
    ,(H2,31,35)(H2,32,33,37)/
    t19-,20-,22-,24-/m1/s1;
    NLVAPRIBNJZHAA-QVHJCDIPSA-N    		 CCC(=O)N([C@@H](CC(N)=O)c1ccc(Cl)cc1)c2c
    cc(O[C@@H]3CC[C@H](C3)NC(=O)N[C@@H]4CC[S
    ](=O)(=O)C4)c(F)c2; CCC(=O)N(c1ccc(c(c1)
    F)OC2CCC(C2)NC(=O)NC3CCS(=O)(=O)C3)C(CC(
    =O)N)c4ccc(cc4)Cl; CCC(=O)N([CH](CC(N)=O
    )c1ccc(Cl)cc1)c2ccc(O[CH]3CC[CH](C3)NC(=
    O)N[CH]4CC[S](=O)(=O)C4)c(F)c2; CCC(=O)N
    (c1ccc(c(c1)F)O[C@@H]2CC[C@H](C2)NC(=O)N
    [C@@H]3CCS(=O)(=O)C3)[C@@H](CC(=O)N)c4cc
    c(cc4)Cl    		 (3~{S})-3-[[4-[(1~{R},3~{R})-3-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]cyclopentyl]oxy-3-fluoranyl-phenyl]-propanoyl-amino]-3-(4-chlorophenyl)propanamide
    13636
    A1ILX    		 1 C27 H33 Cl2 N3 O5 S InChI=1S/C27H33Cl2N3O5S/c
    1-3-26(33)32(17(2)18-4-6-
    19(28)7-5-18)22-9-11-25(2
    4(29)15-22)37-23-10-8-20(
    14-23)30-27(34)31-21-12-1
    3-38(35,36)16-21/h4-7,9,1
    1,15,17,20-21,23H,3,8,10,
    12-14,16H2,1-2H3,(H2,30,3
    1,34)/t17-,20-,21-,23-/m1
    /s1;
    PNLMIXVXXGBETG-XMXZMMKCSA-N    		 CCC(=O)N([C@@H](C)c1ccc(Cl)cc1)c2ccc(O[C
    @@H]3CC[C@H](C3)NC(=O)N[C@@H]4CC[S](=O)(
    =O)C4)c(Cl)c2; CCC(=O)N(c1ccc(c(c1)Cl)OC
    2CCC(C2)NC(=O)NC3CCS(=O)(=O)C3)C(C)c4ccc
    (cc4)Cl; CCC(=O)N([CH](C)c1ccc(Cl)cc1)c2
    ccc(O[CH]3CC[CH](C3)NC(=O)N[CH]4CC[S](=O
    )(=O)C4)c(Cl)c2; CCC(=O)N(c1ccc(c(c1)Cl)
    O[C@@H]2CC[C@H](C2)NC(=O)N[C@@H]3CCS(=O)
    (=O)C3)[C@@H](C)c4ccc(cc4)Cl    		 ~{N}-[4-[(1~{R},3~{R})-3-[[(3~{R})-1,1-bis(oxidanylidene)thiolan-3-yl]carbamoylamino]cyclopentyl]oxy-3-chloranyl-phenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
    13637
    A1ILY    		 1 C22 H27 Cl N2 O2 InChI=1S/C22H27ClN2O2/c1-
    3-22(26)25(15(2)16-4-6-17
    (23)7-5-16)19-9-12-20(13-
    10-19)27-21-11-8-18(24)14
    -21/h4-7,9-10,12-13,15,18
    ,21H,3,8,11,14,24H2,1-2H3
    /t15?,18-,21+/m0/s1;
    PQLXGIZCLMGGSB-RJJXBHFZSA-N    		 CCC(=O)N([C@@H](C)c1ccc(Cl)cc1)c2ccc(O[C
    @@H]3CC[C@@H](N)C3)cc2; CCC(=O)N(c1ccc(c
    c1)OC2CCC(C2)N)C(C)c3ccc(cc3)Cl; CCC(=O)
    N(c1ccc(cc1)O[C@@H]2CC[C@H](C2)N)[C@@H](
    C)c3ccc(cc3)Cl; CCC(=O)N([CH](C)c1ccc(Cl
    )cc1)c2ccc(O[CH]3CC[CH](N)C3)cc2    		 ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-(4-chlorophenyl)ethyl]propanamide
    13638
    A1IM3    		 0 C12 H14 N2 O2 InChI=1S/C12H14N2O2/c13-9
    (6-12(15)16)5-8-7-14-11-4
    -2-1-3-10(8)11/h1-4,7,9,1
    4H,5-6,13H2,(H,15,16)/t9-
    /m1/s1;
    DUVVFMLAHWNDJD-SECBINFHSA-N    		 c1ccc2c(c1)c(c[nH]2)CC(CC(=O)O)N; c1ccc2
    c(c1)c(c[nH]2)C[C@H](CC(=O)O)N; N[CH](CC
    (O)=O)Cc1c[nH]c2ccccc12; N[C@@H](CC(O)=O
    )Cc1c[nH]c2ccccc12    		 (3~{R})-3-azanyl-4-(1~{H}-indol-3-yl)butanal
    13639
    A1IM4    		 0 C7 H6 N2 O2 InChI=1S/C7H6N2O2/c8-4-6-
    3-5(7(10)11)1-2-9-6/h1-4,
    8H,(H,10,11)/b8-4+;
    OKIFEJSCTQRTQM-XBXARRHUSA-N    		 [H]/N=C/c1cc(ccn1)C(=O)O; OC(=O)c1ccnc(C
    =N)c1; c1cnc(cc1C(=O)O)C=N    		 2-(iminomethyl)pyridine-4-carboxylic acid
    13640
    A1IM7    		 0 C6 H12 N2 O3 InChI=1S/C6H12N2O3/c1-8-6
    (11)4(7)2-3-5(9)10/h4H,2-
    3,7H2,1H3,(H,8,11)(H,9,10
    )/t4-/m0/s1;
    NIAZSSTYQBLIPW-BYPYZUCNSA-N    		 CNC(=O)[C@@H](N)CCC(O)=O; CNC(=O)C(CCC(=
    O)O)N; CNC(=O)[CH](N)CCC(O)=O    		 C-methylamino-glutamic acid
    13641
    A1IM8    		 0 C9 H13 N3 O InChI=1S/C9H13N3O/c1-11-9
    (13)8(10)6-7-2-4-12-5-3-7
    /h2-5,8H,6,10H2,1H3,(H,11
    ,13)/t8-/m1/s1;
    LJVDSZALHNBLNR-MRVPVSSYSA-N    		 CNC(=O)[C@@H](Cc1ccncc1)N; CNC(=O)[C@H](
    N)Cc1ccncc1; CNC(=O)C(Cc1ccncc1)N; CNC(=
    O)[CH](N)Cc1ccncc1    		 (2~{R})-2-azanyl-~{N}-methyl-3-pyridin-4-yl-propanamide
    13642
    A1IME    		 1 C12 H13 N3 O3 S InChI=1S/C12H13N3O3S/c1-6
    -2-3-14-8-4-9(19-10(6)8)1
    1(16)15-5-7(13)12(17)18/h
    2-4,7H,5,13H2,1H3,(H,15,1
    6)(H,17,18)/t7-/m1/s1;
    QRAZNSMFVGTRFM-SSDOTTSWSA-N    		 Cc1ccnc2cc(sc12)C(=O)NC[CH](N)C(O)=O; Cc
    1ccnc2c1sc(c2)C(=O)NC[C@H](C(=O)O)N; Cc1
    ccnc2cc(sc12)C(=O)NC[C@@H](N)C(O)=O; Cc1
    ccnc2c1sc(c2)C(=O)NCC(C(=O)O)N    		 (2~{R})-2-azanyl-3-[(7-methylthieno[3,2-b]pyridin-2-yl)carbonylamino]propanoic acid
    13643
    A1IMF    		 1 C10 H18 O21 V6 InChI=1S/2C5H9O4.13O.6V/c
    2*6-1-5(2-7,3-8)4-9;;;;;;
    ;;;;;;;;;;;;;/h2*6H,1-4H2
    ;;;;;;;;;;;;;;;;;;;/q2*-3
    ;;;;;;;;;;;;;-1;6*+2;
    IMCCQTIVVJKDJQ-UHFFFAOYSA-N    		 C1C2(C[O-]3[V+2]456(=O)[O-]1[V+2]789(=O)
    [O-]414%10[V+2]33(=O)([O-]7C2)O[V+2]11(=
    O)(O5)[O-]2[V+2]4(=O)(O6)(O8)[O-]4[V+2]%
    10(=O)(O9)(O3)[O-]1CC(C2)(C4)CO)CO; OCC1
    2C[O-]3[V++]45(=O)O[V++]678(=O)O[V++]39%
    10(=O)O[V++]%11%12%13(=O)O[V++]%14(=O)(O
    [V++]%15(=O)(O4)([O-]6CC(CO)(C[O-]7%11)C
    [O-]%12%15)[O-]89%13%14)([O-]5C1)[O-]%10
    C2    		 hexavanadate (V6-OH) polyoxometalate
    13644
    A1IMJ    		 2 C17 H17 Br F2 N2 O5 InChI=1S/C17H17BrF2N2O5/c
    18-10-1-2-12-11(7-10)22(1
    4(24)9-27-12)8-13(23)21-1
    6(15(25)26)3-5-17(19,20)6
    -4-16/h1-2,7H,3-6,8-9H2,(
    H,21,23)(H,25,26);
    YSUUSESRJZNQHW-UHFFFAOYSA-N    		 c1cc2c(cc1Br)N(C(=O)CO2)CC(=O)NC3(CCC(CC
    3)(F)F)C(=O)O; OC(=O)C1(CCC(F)(F)CC1)NC(
    =O)CN2C(=O)COc3ccc(Br)cc23    		 1-[2-(6-bromanyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]-4,4-bis(fluoranyl)cyclohexane-1-carboxylic acid;
    1-[2-(6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-4-yl)acetamido]-4,4-difluorocyclohexane-1-carboxylic acid
    13645
    A1IMK    		 2 C17 H20 N2 O4 S InChI=1S/C17H20N2O4S/c20-
    14(18-17(16(22)23)8-4-1-5
    -9-17)10-19-12-6-2-3-7-13
    (12)24-11-15(19)21/h2-3,6
    -7H,1,4-5,8-11H2,(H,18,20
    )(H,22,23);
    FCKIUCLVCBWWRY-UHFFFAOYSA-N    		 c1ccc2c(c1)N(C(=O)CS2)CC(=O)NC3(CCCCC3)C
    (=O)O; OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)CSc
    3ccccc23    		 1-[2-(3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid;
    1-[2-(3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamido]cyclohexane-1-carboxylic acid
    13646
    A1IML    		 1 C22 H22 N2 O4 S InChI=1S/C22H22N2O4S/c25-
    19(23-22(20(26)27)11-5-2-
    6-12-22)14-24-17-13-16(15
    -7-3-1-4-8-15)9-10-18(17)
    29-21(24)28/h1,3-4,7-10,1
    3H,2,5-6,11-12,14H2,(H,23
    ,25)(H,26,27);
    KERHWCOXYCPJNO-UHFFFAOYSA-N    		 OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)Sc3ccc(cc2
    3)c4ccccc4; c1ccc(cc1)c2ccc3c(c2)N(C(=O)
    S3)CC(=O)NC4(CCCCC4)C(=O)O    		 1-[2-(2-oxidanylidene-5-phenyl-1,3-benzothiazol-3-yl)ethanoylamino]cyclohexane-1-carboxylic acid;
    1-[2-(2-oxo-5-phenyl-2,3-dihydro-1,3-benzothiazol-3-yl)acetamido]cyclohexane-1-carboxylic acid
    13647
    A1IMM    		 1 C17 H19 Cl N2 O4 S InChI=1S/C17H19ClN2O4S/c1
    8-11-4-5-13-12(8-11)20(15
    (22)10-25-13)9-14(21)19-1
    7(16(23)24)6-2-1-3-7-17/h
    4-5,8H,1-3,6-7,9-10H2,(H,
    19,21)(H,23,24);
    FFGKCXHDBIGKHA-UHFFFAOYSA-N    		 c1cc2c(cc1Cl)N(C(=O)CS2)CC(=O)NC3(CCCCC3
    )C(=O)O; OC(=O)C1(CCCCC1)NC(=O)CN2C(=O)C
    Sc3ccc(Cl)cc23    		 1-[2-(6-chloranyl-3-oxidanylidene-1,4-benzothiazin-4-yl)ethanoylamino]cyclohexane-1-carboxylic acid;
    1-[2-(6-chloro-3-oxo-3,4-dihydro-2H-1,4-benzothiazin-4-yl)acetamido]cyclohexane-1-carboxylic acid
    13648
    A1IMU    		 1 C27 H34 N6 O6 InChI=1S/C27H34N6O6/c1-28
    -25(37)22(34)20(15-17-11-
    12-29-23(17)35)31-24(36)2
    1(14-16-9-10-16)33-13-5-8
    -19(26(33)38)32-27(39)30-
    18-6-3-2-4-7-18/h2-8,13,1
    6-17,20-22,34H,9-12,14-15
    H2,1H3,(H,28,37)(H,29,35)
    (H,31,36)(H2,30,32,39)/t1
    7-,20+,21?,22+/m1/s1;
    KZJFPIFYXVQIAO-UGYVGDFNSA-N    		 CNC(=O)[CH](O)[CH](C[CH]1CCNC1=O)NC(=O)[
    CH](CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O
    ; CNC(=O)C(C(CC1CCNC1=O)NC(=O)C(CC2CC2)N
    3C=CC=C(C3=O)NC(=O)Nc4ccccc4)O; CNC(=O)[
    C@H](O)[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H]
    (CC2CC2)N3C=CC=C(NC(=O)Nc4ccccc4)C3=O; C
    NC(=O)[C@@H]([C@H](C[C@@H]1CCNC1=O)NC(=O
    )[C@H](CC2CC2)N3C=CC=C(C3=O)NC(=O)Nc4ccc
    cc4)O    		 (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(phenylcarbamoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide
    13649
    A1IMW    		 0 C9 H20 N2 O5 InChI=1S/C9H20N2O5/c10-1-
    3-14-5-7-16-8-6-15-4-2-11
    -9(12)13/h11H,1-8,10H2,(H
    ,12,13);
    OAZZGQIDCIEELC-UHFFFAOYSA-N    		 C(COCCOCCOCCNC(=O)O)N; NCCOCCOCCOCCNC(O)
    =O    		 2-[2-[2-(2-azanylethoxy)ethoxy]ethoxy]ethylcarbamic acid
    13650
    A1IMX    		 0 C24 H26 N6 O4 InChI=1S/C24H26N6O4/c25-1
    4-16-4-1-5-18(12-16)33-10
    -3-9-30-15-17(28-29-30)8-
    11-34-22-13-21(24(31)32)2
    7-23-19(22)6-2-7-20(23)26
    /h1-2,4-7,12-13,15H,3,8-1
    1,14,25-26H2,(H,31,32);
    GTWPGQQBIMBTAY-UHFFFAOYSA-N    		 NCc1cccc(OCCCn2cc(CCOc3cc(nc4c(N)cccc34)
    C(O)=O)nn2)c1; c1cc(cc(c1)OCCCn2cc(nn2)C
    COc3cc(nc4c3cccc4N)C(=O)O)CN    		 4-[2-[1-[3-[3-(aminomethyl)phenoxy]propyl]-1,2,3-triazol-4-yl]ethoxy]-8-azanyl-quinoline-2-carboxylic acid
    13651
    A1IMY    		 2 C26 H36 F5 N5 O4 InChI=1S/C26H36F5N5O4/c1-
    24(2)10-14(20(37)35-24)9-
    15(12-32)33-21(38)19-17-7
    -6-16(11-25(17,27)28)36(1
    9)22(39)18(8-13-4-3-5-13)
    34-23(40)26(29,30)31/h12-
    19,32H,3-11H2,1-2H3,(H,33
    ,38)(H,34,40)(H,35,37)/t1
    4-,15-,16-,17-,18+,19-/m0
    /s1;
    KLQWCIBSZOJHLB-VIUKOLAESA-N    		 CC1(CC(C(=O)N1)CC(C=N)NC(=O)C2C3CCC(N2C(
    =O)C(CC4CCC4)NC(=O)C(F)(F)F)CC3(F)F)C; C
    C1(C[C@@H](C(=O)N1)C[C@@H](C=N)NC(=O)[C@
    @H]2[C@@H]3CC[C@H](N2C(=O)[C@@H](CC4CCC4
    )NC(=O)C(F)(F)F)CC3(F)F)C; CC1(C)C[CH](C
    [CH](NC(=O)[CH]2[CH]3CC[CH](CC3(F)F)N2C(
    =O)[CH](CC4CCC4)NC(=O)C(F)(F)F)C=N)C(=O)
    N1; CC1(C)C[C@H](C[C@H](NC(=O)[C@@H]2[C@
    @H]3CC[C@@H](CC3(F)F)N2C(=O)[C@@H](CC4CC
    C4)NC(=O)C(F)(F)F)C=N)C(=O)N1    		 (1S,3S,4S)-N-[(2S)-1-azanylidene-3-[(3S)-5,5-dimethyl-2-oxidanylidene-pyrrolidin-3-yl]propan-2-yl]-2-[(2R)-3-cyclobutyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]propanoyl]-5,5-bis(fluoranyl)-2-azabicyclo[2.2.2]octane-3-carboxamide
    13652
    A1IN0    		 2 C26 H35 N O6 InChI=1S/C26H35NO6/c1-30-
    21-16-19-17-22(31-2)24(21
    )32-14-8-9-15-33-26(29)20
    -12-6-7-13-27(20)25(28)23
    (19)18-10-4-3-5-11-18/h8-
    9,16-18,20,23H,3-7,10-15H
    2,1-2H3/b9-8+/t20-,23-/m0
    /s1;
    DSNQSCQMELPHCS-WWQISKJESA-N    		 COc1cc2cc(OC)c1OCC=CCOC(=O)[CH]3CCCCN3C(
    =O)[CH]2C4CCCCC4; COc1cc2cc(c1OCC=CCOC(=
    O)C3CCCCN3C(=O)C2C4CCCCC4)OC; COc1cc2cc(
    c1OC/C=C/COC(=O)[C@@H]3CCCCN3C(=O)[C@H]2
    C4CCCCC4)OC; COc1cc2cc(OC)c1OC\C=C\COC(=
    O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4    		 (2~{S},9~{S},13~{E})-2-cyclohexyl-18,21-dimethoxy-11,16-dioxa-4-azatricyclo[15.2.2.0^{4,9}]henicosa-1(19),13,17,20-tetraene-3,10-dione
    13653
    A1IN1    		 2 C29 H41 N O7 InChI=1S/C29H41NO7/c1-33-
    24-19-22-20-25(34-2)27(24
    )36-18-10-16-35-15-8-9-17
    -37-29(32)23-13-6-7-14-30
    (23)28(31)26(22)21-11-4-3
    -5-12-21/h8-9,19-21,23,26
    H,3-7,10-18H2,1-2H3/b9-8+
    /t23-,26-/m0/s1;
    FUTIXVBBDMLNAR-XMQNWNBQSA-N    		 COc1cc2cc(c1OCCCOC/C=C/COC(=O)[C@@H]3CCC
    CN3C(=O)[C@H]2C4CCCCC4)OC; COc1cc2cc(OC)
    c1OCCCOCC=CCOC(=O)[CH]3CCCCN3C(=O)[CH]2C
    4CCCCC4; COc1cc2cc(c1OCCCOCC=CCOC(=O)C3C
    CCCN3C(=O)C2C4CCCCC4)OC; COc1cc2cc(OC)c1
    OCCCOC\C=C\COC(=O)[C@@H]3CCCCN3C(=O)[C@H
    ]2C4CCCCC4    		 (2~{S},9~{S},13~{E})-2-cyclohexyl-22,25-dimethoxy-11,16,20-trioxa-4-azatricyclo[19.2.2.0^{4,9}]pentacosa-1(24),13,21(25),22-tetraene-3,10-dione
    13654
    A1IN2    		 2 C28 H39 N O7 InChI=1S/C28H39NO7/c1-32-
    23-18-21-19-24(33-2)26(23
    )35-15-9-8-14-34-16-17-36
    -28(31)22-12-6-7-13-29(22
    )27(30)25(21)20-10-4-3-5-
    11-20/h8-9,18-20,22,25H,3
    -7,10-17H2,1-2H3/b9-8+/t2
    2-,25-/m0/s1;
    IJBSWRPOQSCZFA-WAVRRAJFSA-N    		 COc1cc2cc(c1OC/C=C/COCCOC(=O)[C@@H]3CCCC
    N3C(=O)[C@H]2C4CCCCC4)OC; COc1cc2cc(OC)c
    1OCC=CCOCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4C
    CCCC4; COc1cc2cc(OC)c1OC\C=C\COCCOC(=O)[
    C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4; COc1cc2
    cc(c1OCC=CCOCCOC(=O)C3CCCCN3C(=O)C2C4CCC
    CC4)OC    		 (2~{S},9~{S},16~{E})-2-cyclohexyl-21,24-dimethoxy-11,14,19-trioxa-4-azatricyclo[18.2.2.0^{4,9}]tetracosa-1(23),16,20(24),21-tetraene-3,10-dione
    13655
    A1IN3    		 4 C28 H39 N O6 InChI=1S/C28H39NO6/c1-32-
    23-18-21-19-24(33-2)26(23
    )34-16-10-3-4-11-17-35-28
    (31)22-14-8-9-15-29(22)27
    (30)25(21)20-12-6-5-7-13-
    20/h3-4,18-20,22,25H,5-17
    H2,1-2H3/b4-3+/t22-,25-/m
    0/s1;
    APNQEGPDNHCTEN-FZMRSDKKSA-N    		 COc1cc2cc(OC)c1OCCC=CCCOC(=O)[CH]3CCCCN3
    C(=O)[CH]2C4CCCCC4; COc1cc2cc(c1OCCC=CCC
    OC(=O)C3CCCCN3C(=O)C2C4CCCCC4)OC; COc1cc
    2cc(c1OCC/C=C/CCOC(=O)[C@@H]3CCCCN3C(=O)
    [C@H]2C4CCCCC4)OC; COc1cc2cc(OC)c1OCC\C=
    C\CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCC
    C4    		 (2~{S},9~{S},14~{E})-2-cyclohexyl-20,23-dimethoxy-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(22),14,19(23),20-tetraene-3,10-dione
    13656
    A1IN4    		 2 C27 H39 N O6 InChI=1S/C27H39NO6/c1-31-
    22-17-20-18-23(32-2)25(22
    )33-15-9-4-10-16-34-27(30
    )21-13-7-8-14-28(21)26(29
    )24(20)19-11-5-3-6-12-19/
    h17-19,21,24H,3-16H2,1-2H
    3/t21-,24-/m0/s1;
    MMBHTRMJIYZADY-URXFXBBRSA-N    		 COc1cc2cc(c1OCCCCCOC(=O)C3CCCCN3C(=O)C2C
    4CCCCC4)OC; COc1cc2cc(c1OCCCCCOC(=O)[C@@
    H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC; COc1cc2
    cc(OC)c1OCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]
    2C4CCCCC4; COc1cc2cc(OC)c1OCCCCCOC(=O)[C
    @@H]3CCCCN3C(=O)[C@H]2C4CCCCC4    		 (2~{S},9~{S})-2-cyclohexyl-19,22-dimethoxy-11,17-dioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(20),18,21-triene-3,10-dione
    13657
    A1IN5    		 2 C27 H37 N O6 InChI=1S/C27H37NO6/c1-31-
    22-17-20-18-23(32-2)25(22
    )33-15-9-4-10-16-34-27(30
    )21-13-7-8-14-28(21)26(29
    )24(20)19-11-5-3-6-12-19/
    h4,9,17-19,21,24H,3,5-8,1
    0-16H2,1-2H3/b9-4+/t21-,2
    4-/m0/s1;
    LGIBIJZRDLLUMG-FLLOMAORSA-N    		 COc1cc2cc(OC)c1OCC=CCCOC(=O)[CH]3CCCCN3C
    (=O)[CH]2C4CCCCC4; COc1cc2cc(c1OCC=CCCOC
    (=O)C3CCCCN3C(=O)C2C4CCCCC4)OC; COc1cc2c
    c(c1OC/C=C/CCOC(=O)[C@@H]3CCCCN3C(=O)[C@
    H]2C4CCCCC4)OC; COc1cc2cc(OC)c1OC\C=C\CC
    OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4    		 (2~{S},9~{S},14~{E})-2-cyclohexyl-19,22-dimethoxy-11,17-dioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(20),14,18,21-tetraene-3,10-dione
    13658
    A1IN6    		 2 C28 H41 N O6 InChI=1S/C28H41NO6/c1-32-
    23-18-21-19-24(33-2)26(23
    )34-16-10-3-4-11-17-35-28
    (31)22-14-8-9-15-29(22)27
    (30)25(21)20-12-6-5-7-13-
    20/h18-20,22,25H,3-17H2,1
    -2H3/t22-,25-/m0/s1;
    CODJAOKWHBMEEU-DHLKQENFSA-N    		 COc1cc2cc(c1OCCCCCCOC(=O)C3CCCCN3C(=O)C2
    C4CCCCC4)OC; COc1cc2cc(c1OCCCCCCOC(=O)[C
    @@H]3CCCCN3C(=O)[C@H]2C4CCCCC4)OC; COc1c
    c2cc(OC)c1OCCCCCCOC(=O)[C@@H]3CCCCN3C(=O
    )[C@H]2C4CCCCC4; COc1cc2cc(OC)c1OCCCCCCO
    C(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4    		 (2~{S},9~{S})-2-cyclohexyl-20,23-dimethoxy-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(21),19,22-triene-3,10-dione
    13659
    A1IN7    		 2 C28 H41 N O8 InChI=1S/C28H41NO8/c1-34-
    23-16-19-17-24(35-2)26(23
    )36-14-11-21(30)22(31)12-
    15-37-28(33)20-10-6-7-13-
    29(20)27(32)25(19)18-8-4-
    3-5-9-18/h16-18,20-22,25,
    30-31H,3-15H2,1-2H3/t20-,
    21+,22-,25-/m0/s1;
    PCRSCUZYOGSBIB-MTQWNXOMSA-N    		 COc1cc2cc(c1OCC[C@H]([C@H](CCOC(=O)[C@@H
    ]3CCCCN3C(=O)[C@H]2C4CCCCC4)O)O)OC; COc1
    cc2cc(OC)c1OCC[CH](O)[CH](O)CCOC(=O)[CH]
    3CCCCN3C(=O)[CH]2C4CCCCC4; COc1cc2cc(OC)
    c1OCC[C@@H](O)[C@@H](O)CCOC(=O)[C@@H]3CC
    CCN3C(=O)[C@H]2C4CCCCC4; COc1cc2cc(c1OCC
    C(C(CCOC(=O)C3CCCCN3C(=O)C2C4CCCCC4)O)O)
    OC    		 (2~{S},9~{S},14~{S},15~{R})-2-cyclohexyl-20,23-dimethoxy-14,15-bis(oxidanyl)-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(21),19,22-triene-3,10-dione
    13660
    A1IN8    		 2 C27 H39 N O8 InChI=1S/C27H39NO8/c1-33-
    22-14-18-15-23(34-2)25(22
    )36-16-21(30)20(29)11-13-
    35-27(32)19-10-6-7-12-28(
    19)26(31)24(18)17-8-4-3-5
    -9-17/h14-15,17,19-21,24,
    29-30H,3-13,16H2,1-2H3/t1
    9-,20-,21-,24-/m0/s1;
    VGRWNHKZMUCYKZ-CIEVZJJWSA-N    		 COc1cc2cc(OC)c1OC[C@H](O)[C@@H](O)CCOC(=
    O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4; COc1
    cc2cc(c1OCC(C(CCOC(=O)C3CCCCN3C(=O)C2C4C
    CCCC4)O)O)OC; COc1cc2cc(c1OC[C@@H]([C@H]
    (CCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC
    4)O)O)OC; COc1cc2cc(OC)c1OC[CH](O)[CH](O
    )CCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4    		 (2~{S},9~{S},14~{S},15~{S})-2-cyclohexyl-19,22-dimethoxy-14,15-bis(oxidanyl)-11,17-dioxa-4-azatricyclo[16.2.2.0^{4,9}]docosa-1(21),18(22),19-triene-3,10-dione
    13661
    A1IN9    		 2 C31 H45 N O7 InChI=1S/C31H45NO7/c1-22-
    12-8-10-17-37-18-11-19-38
    -27-21-24(20-26(35-2)29(2
    7)36-3)28(23-13-5-4-6-14-
    23)30(33)32-16-9-7-15-25(
    32)31(34)39-22/h8,10,20-2
    3,25,28H,4-7,9,11-19H2,1-
    3H3/b10-8+/t22-,25+,28+/m
    1/s1;
    DJTFXBXJBYJSQO-YSNFPQGISA-N    		 CC1CC=CCOCCCOc2cc(cc(c2OC)OC)C(C(=O)N3CC
    CCC3C(=O)O1)C4CCCCC4; COc1cc2cc(OCCCOC/C
    =C/C[C@@H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@
    H]2C4CCCCC4)c1OC; COc1cc2cc(OCCCOCC=CC[C
    H](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4
    )c1OC; C[C@@H]1C/C=C/COCCCOc2cc(cc(c2OC)
    OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O1)C4CCC
    CC4    		 (2~{S},9~{S},12~{R},14~{E})-2-cyclohexyl-23,24-dimethoxy-12-methyl-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
    13662
    A1INK    		 2 C30 H42 N4 O6 InChI=1S/C30H42N4O6/c1-37
    -25-18-22-19-26(28(25)38-
    2)39-17-9-14-33-20-23(31-
    32-33)12-8-16-40-30(36)24
    -13-6-7-15-34(24)29(35)27
    (22)21-10-4-3-5-11-21/h18
    -21,24,27H,3-17H2,1-2H3/t
    24-,27-/m0/s1;
    KBEFRQWYVBCTFI-IGKIAQTJSA-N    		 COc1cc2cc(OCCCn3cc(CCCOC(=O)[CH]4CCCCN4C
    (=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc2cc(c1
    OC)OCCCn3cc(nn3)CCCOC(=O)C4CCCCN4C(=O)C2
    C5CCCCC5; COc1cc2cc(c1OC)OCCCn3cc(nn3)CC
    COC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5;
    COc1cc2cc(OCCCn3cc(CCCOC(=O)[C@@H]4CCCC
    N4C(=O)[C@H]2C5CCCCC5)nn3)c1OC    		 2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[18.2.1.01,6.06,10]tricosane-3,12-dione
    13663
    A1INL    		 2 C29 H40 N4 O6 InChI=1S/C29H40N4O6/c1-36
    -24-17-21-18-25(27(24)37-
    2)38-16-14-32-19-22(30-31
    -32)11-8-15-39-29(35)23-1
    2-6-7-13-33(23)28(34)26(2
    1)20-9-4-3-5-10-20/h17-20
    ,23,26H,3-16H2,1-2H3/t23-
    ,26-/m0/s1;
    FTHNNQPRXNQXHW-OZXSUGGESA-N    		 COc1cc2cc(OCCn3cc(CCCOC(=O)[C@@H]4CCCCN4
    C(=O)[C@H]2C5CCCCC5)nn3)c1OC; COc1cc2cc(
    c1OC)OCCn3cc(nn3)CCCOC(=O)[C@@H]4CCCCN4C
    (=O)[C@H]2C5CCCCC5; COc1cc2cc(OCCn3cc(CC
    COC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3
    )c1OC; COc1cc2cc(c1OC)OCCn3cc(nn3)CCCOC(
    =O)C4CCCCN4C(=O)C2C5CCCCC5    		 2-cyclohexyl-1,19-dimethoxy-11,18-dioxa-1lambda5,19lambda5-diphospha-2-stannatetracyclo[15.3.0.01,13.04,9]icosane-3,12-dione
    13664
    A1INM    		 2 C29 H40 N4 O6 InChI=1S/C29H40N4O6/c1-36
    -24-17-21-18-25(37-2)27(2
    4)38-16-14-32-19-22(30-31
    -32)11-8-15-39-29(35)23-1
    2-6-7-13-33(23)28(34)26(2
    1)20-9-4-3-5-10-20/h17-20
    ,23,26H,3-16H2,1-2H3/t23-
    ,26-/m0/s1;
    BBGGAOVMTSBXIS-OZXSUGGESA-N    		 COc1cc2cc(c1OCCn3cc(nn3)CCCOC(=O)C4CCCCN
    4C(=O)C2C5CCCCC5)OC; COc1cc2cc(c1OCCn3cc
    (nn3)CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5
    CCCCC5)OC; COc1cc2cc(OC)c1OCCn3cc(CCCOC(
    =O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3;
    COc1cc2cc(OC)c1OCCn3cc(CCCOC(=O)[CH]4CC
    CCN4C(=O)[CH]2C5CCCCC5)nn3    		 3-cyclohexyl-17,18-dimethoxy-11,15-dioxa-1,18lambda4-dithia-5-aza-17lambda4-polonapentacyclo[15.4.0.04,9.013,18.018,23]henicosane-2,12-dione
    13665
    A1INN    		 2 C29 H40 N4 O6 InChI=1S/C29H40N4O6/c1-36
    -24-17-21-18-25(37-2)27(2
    4)38-15-8-13-32-19-22(30-
    31-32)12-16-39-29(35)23-1
    1-6-7-14-33(23)28(34)26(2
    1)20-9-4-3-5-10-20/h17-20
    ,23,26H,3-16H2,1-2H3/t23-
    ,26-/m0/s1;
    WLVDUSVHWUVZCC-OZXSUGGESA-N    		 COc1cc2cc(OC)c1OCCCn3cc(CCOC(=O)[C@@H]4C
    CCCN4C(=O)[C@H]2C5CCCCC5)nn3; COc1cc2cc(
    c1OCCCn3cc(nn3)CCOC(=O)[C@@H]4CCCCN4C(=O
    )[C@H]2C5CCCCC5)OC; COc1cc2cc(OC)c1OCCCn
    3cc(CCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC
    5)nn3; COc1cc2cc(c1OCCCn3cc(nn3)CCOC(=O)
    C4CCCCN4C(=O)C2C5CCCCC5)OC    		 3-cyclohexyl-1,19-dimethoxy-11,16-dioxa-19lambda4-polona-1,13-diaza-2lambda5-polonapentacyclo[16.4.0.04,9.013,19.020,25]docosane-2,12-dione
    13666
    A1INO    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -14-16-34-20-24(32-33-34)
    12-9-17-40-31(37)25-13-7-
    8-15-35(25)30(36)28(22-10
    -5-4-6-11-22)23-18-26(38-
    2)29(39-3)27(19-23)41-21/
    h18-22,25,28H,4-17H2,1-3H
    3/t21-,25-,28-/m0/s1;
    YQIADJASNGMGCE-QLADTWODSA-N    		 COc1cc2cc(O[C@@H](C)CCn3cc(CCCOC(=O)[C@@
    H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C
    C1CCn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4c
    c(c(c(c4)OC)OC)O1)C5CCCCC5; C[C@H]1CCn2c
    c(nn2)CCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c
    4cc(c(c(c4)OC)OC)O1)C5CCCCC5; COc1cc2cc(
    O[CH](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)
    [CH]2C5CCCCC5)nn3)c1OC    		 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
    13667
    A1INP    		 2 C32 H46 N4 O6 InChI=1S/C32H46N4O6/c1-22
    -19-35-20-25(33-34-35)13-
    8-10-16-41-32(38)26-14-7-
    9-15-36(26)31(37)29(23-11
    -5-4-6-12-23)24-17-27(39-
    2)30(40-3)28(18-24)42-21-
    22/h17-18,20,22-23,26,29H
    ,4-16,19,21H2,1-3H3/t22-,
    26-,29-/m0/s1;
    YTXVEIDMQBSYLS-ONALNCHISA-N    		 CC1Cn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4
    cc(c(c(c4)OC)OC)OC1)C5CCCCC5; C[C@H]1Cn2
    cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]
    (c4cc(c(c(c4)OC)OC)OC1)C5CCCCC5; COc1cc2
    cc(OC[CH](C)Cn3cc(CCCCOC(=O)[CH]4CCCCN4C
    (=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc2cc(OC
    [C@@H](C)Cn3cc(CCCCOC(=O)[C@@H]4CCCCN4C(
    =O)[C@H]2C5CCCCC5)nn3)c1OC    		 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-19lambda4-thia-5-aza-18-stannapentacyclo[15.7.0.01,10.010,10.018,23]tetracosa-13,20-diene-4,12-quinone
    13668
    A1INQ    		 2 C32 H46 N4 O6 InChI=1S/C32H46N4O6/c1-22
    -15-17-35-21-25(33-34-35)
    13-8-10-18-41-32(38)26-14
    -7-9-16-36(26)31(37)29(23
    -11-5-4-6-12-23)24-19-27(
    39-2)30(40-3)28(20-24)42-
    22/h19-23,26,29H,4-18H2,1
    -3H3/t22-,26+,29+/m1/s1;
    PNIMKFUOUMACNI-DVTKYRPYSA-N    		 COc1cc2cc(O[CH](C)CCn3cc(CCCCOC(=O)[CH]4
    CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1c
    c2cc(O[C@H](C)CCn3cc(CCCCOC(=O)[C@@H]4CC
    CCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C[C@@H
    ]1CCn2cc(nn2)CCCCOC(=O)[C@@H]3CCCCN3C(=O
    )[C@H](c4cc(c(c(c4)OC)OC)O1)C5CCCCC5; CC
    1CCn2cc(nn2)CCCCOC(=O)C3CCCCN3C(=O)C(c4c
    c(c(c(c4)OC)OC)O1)C5CCCCC5    		 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,18-dioxa-1,17lambda5-diphospha-19lambda5-stannapentacyclo[17.3.1.04,9.04,13.015,20]tricosane-2,10-quinone
    13669
    A1INR    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -14-17-40-27-19-23(18-26(
    38-2)29(27)39-3)28(22-10-
    5-4-6-11-22)30(36)34-15-8
    -7-13-25(34)31(37)41-16-9
    -12-24-20-35(21)33-32-24/
    h18-22,25,28H,4-17H2,1-3H
    3/t21-,25-,28-/m0/s1;
    DYXFIIHVUAPFDY-QLADTWODSA-N    		 C[C@H]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3
    CCCC[C@H]3C(=O)OCCCc4cn1nn4)C5CCCCC5; CC
    1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)
    OCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[CH]
    (C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C5
    CCCCC5)nn3)c1OC; COc1cc2cc(OCC[C@H](C)n3
    cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2C5CC
    CCC5)nn3)c1OC    		 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone
    13670
    A1INS    		 2 C32 H46 N4 O6 InChI=1S/C32H46N4O6/c1-22
    -15-18-41-28-20-24(19-27(
    39-2)30(28)40-3)29(23-11-
    5-4-6-12-23)31(37)35-16-9
    -7-14-26(35)32(38)42-17-1
    0-8-13-25-21-36(22)34-33-
    25/h19-23,26,29H,4-18H2,1
    -3H3/t22-,26-,29-/m0/s1;
    HBJBVDZIYYVDNJ-ONALNCHISA-N    		 C[C@H]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3
    CCCC[C@H]3C(=O)OCCCCc4cn1nn4)C5CCCCC5; C
    C1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O
    )OCCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[C
    H](C)n3cc(CCCCOC(=O)[CH]4CCCCN4C(=O)[CH]
    2C5CCCCC5)nn3)c1OC; COc1cc2cc(OCC[C@H](C
    )n3cc(CCCCOC(=O)[C@@H]4CCCCN4C(=O)[C@H]2
    C5CCCCC5)nn3)c1OC    		 3-cyclohexyl-23,24-dimethoxy-17-methyl-11,22-dioxa-5-aza-23lambda5,24lambda5-diphospha-2,23lambda5-diphosphapentacyclo[21.2.1.01,18.05,10.018,23]hexacosa-18,24-diene-4,12-quinone
    13671
    A1INT    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -14-17-40-27-19-23(18-26(
    38-2)29(27)39-3)28(22-10-
    5-4-6-11-22)30(36)34-15-8
    -7-13-25(34)31(37)41-16-9
    -12-24-20-35(21)33-32-24/
    h18-22,25,28H,4-17H2,1-3H
    3/t21-,25+,28+/m1/s1;
    DYXFIIHVUAPFDY-ZNFSXRAMSA-N    		 COc1cc2cc(OCC[C@@H](C)n3cc(CCCOC(=O)[C@@
    H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C
    C1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O
    )OCCCc4cn1nn4)C5CCCCC5; COc1cc2cc(OCC[CH
    ](C)n3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH]2C
    5CCCCC5)nn3)c1OC; C[C@@H]1CCOc2cc(cc(c2O
    C)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)OCCCc4
    cn1nn4)C5CCCCC5    		 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,18-dioxa-1,19lambda5-dithia-5-aza-19lambda5-stannapentacyclo[18.3.1.04,9.013,22.015,21]tetracosane-2,10-quinone
    13672
    A1INU    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -18-34-19-24(32-33-34)12-
    9-15-40-31(37)25-13-7-8-1
    4-35(25)30(36)28(22-10-5-
    4-6-11-22)23-16-26(38-2)2
    9(39-3)27(17-23)41-20-21/
    h16-17,19,21-22,25,28H,4-
    15,18,20H2,1-3H3/t21-,25+
    ,28+/m1/s1;
    VVJDGLCOUGEKPB-ZNFSXRAMSA-N    		 C[C@@H]1Cn2cc(nn2)CCCOC(=O)[C@@H]3CCCCN3
    C(=O)[C@H](c4cc(c(c(c4)OC)OC)OC1)C5CCCCC
    5; COc1cc2cc(OC[CH](C)Cn3cc(CCCOC(=O)[CH
    ]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; CC1
    Cn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc(c
    (c(c4)OC)OC)OC1)C5CCCCC5; COc1cc2cc(OC[C
    @H](C)Cn3cc(CCCOC(=O)[C@@H]4CCCCN4C(=O)[
    C@H]2C5CCCCC5)nn3)c1OC    		 3-cyclohexyl-19,20-dimethoxy-17-methyl-11,15-dioxa-1-aza-1lambda5-polona-1,18-distannapentacyclo[15.7.0.01,10.010,10.011,16]eicosane-2,12-quinone
    13673
    A1INV    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -14-16-34-20-24(32-33-34)
    12-9-17-40-31(37)25-13-7-
    8-15-35(25)30(36)28(22-10
    -5-4-6-11-22)23-18-26(38-
    2)29(39-3)27(19-23)41-21/
    h18-22,25,28H,4-17H2,1-3H
    3/t21-,25+,28+/m1/s1;
    YQIADJASNGMGCE-ZNFSXRAMSA-N    		 COc1cc2cc(O[C@H](C)CCn3cc(CCCOC(=O)[C@@H
    ]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; CC
    1CCn2cc(nn2)CCCOC(=O)C3CCCCN3C(=O)C(c4cc
    (c(c(c4)OC)OC)O1)C5CCCCC5; COc1cc2cc(O[C
    H](C)CCn3cc(CCCOC(=O)[CH]4CCCCN4C(=O)[CH
    ]2C5CCCCC5)nn3)c1OC; C[C@@H]1CCn2cc(nn2)
    CCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H](c4cc(c(
    c(c4)OC)OC)O1)C5CCCCC5    		 3-cyclohexyl-19,20-dimethoxy-19-methyl-11,20-dioxa-5-aza-1lambda5-polona-1,19lambda5-dithia-18-azanida-1lambda5-stannapentacyclo[19.2.1.05,10.013,18.018,22]tetracosane-4,12-quinone
    13674
    A1INW    		 2 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -16-24-19-34(33-32-24)13-
    9-15-40-27-18-23(17-26(38
    -2)29(27)39-3)28(22-10-5-
    4-6-11-22)30(36)35-14-8-7
    -12-25(35)31(37)41-20-21/
    h17-19,21-22,25,28H,4-16,
    20H2,1-3H3/t21-,25-,28-/m
    0/s1;
    XNYXIOZDJFQUQO-QLADTWODSA-N    		 C[C@H]1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)[C@
    @H](C(=O)N4CCCC[C@H]4C(=O)OC1)C5CCCCC5;
    COc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4C
    CCCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc
    2cc(OCCCn3cc(C[C@H](C)COC(=O)[C@@H]4CCCC
    N4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; CC1Cc2cn
    (nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCCC4
    C(=O)OC1)C5CCCCC5    		 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
    13675
    A1INX    		 2 C32 H46 N4 O6 InChI=1S/C32H46N4O6/c1-21
    -16-25-19-36(34-33-25)22(
    2)13-15-41-28-18-24(17-27
    (39-3)30(28)40-4)29(23-10
    -6-5-7-11-23)31(37)35-14-
    9-8-12-26(35)32(38)42-20-
    21/h17-19,21-23,26,29H,5-
    16,20H2,1-4H3/t21-,22+,26
    -,29-/m0/s1;
    KYEGZUVYNFTHPD-LEEWXGEHSA-N    		 COc1cc2cc(OCC[C@@H](C)n3cc(C[C@H](C)COC(
    =O)[C@@H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)
    c1OC; COc1cc2cc(OCC[CH](C)n3cc(C[CH](C)C
    OC(=O)[CH]4CCCCN4C(=O)[CH]2C5CCCCC5)nn3)
    c1OC; CC1CCOc2cc(cc(c2OC)OC)C(C(=O)N3CCC
    CC3C(=O)OCC(Cc4cn1nn4)C)C5CCCCC5; C[C@@H
    ]1CCOc2cc(cc(c2OC)OC)[C@@H](C(=O)N3CCCC[
    C@H]3C(=O)OC[C@H](Cc4cn1nn4)C)C5CCCCC5    		 3-cyclohexyl-17-hydroxy-16,17-dimethoxy-12-methyl-15,18-dioxa-5-aza-1lambda5,17lambda5-diphosphapentacyclo[17.3.1.01,10.05,10.011,19]tricosa-10,19(23)-diene-4,11-quinone
    13676
    A1INY    		 2 C32 H46 N4 O6 InChI=1S/C32H46N4O6/c1-21
    -16-25-19-35(34-33-25)15-
    13-22(2)42-28-18-24(17-27
    (39-3)30(28)40-4)29(23-10
    -6-5-7-11-23)31(37)36-14-
    9-8-12-26(36)32(38)41-20-
    21/h17-19,21-23,26,29H,5-
    16,20H2,1-4H3/t21-,22-,26
    -,29-/m0/s1;
    ZJVUAEGRGHMXLM-FQFDVSBWSA-N    		 CC1CCn2cc(nn2)CC(COC(=O)C3CCCCN3C(=O)C(c
    4cc(c(c(c4)OC)OC)O1)C5CCCCC5)C; COc1cc2c
    c(O[CH](C)CCn3cc(C[CH](C)COC(=O)[CH]4CCC
    CN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; COc1cc2c
    c(O[C@@H](C)CCn3cc(C[C@H](C)COC(=O)[C@@H
    ]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C[
    C@H]1CCn2cc(nn2)C[C@@H](COC(=O)[C@@H]3CC
    CCN3C(=O)[C@H](c4cc(c(c(c4)OC)OC)O1)C5CC
    CCC5)C    		 3-cyclohexyl-17,18-dimethoxy-13-methyl-17-methylol-15,19-dioxa-1,17lambda5-diphospha-1,11lambda5-distannapentacyclo[15.3.1.04,9.011,13.013,19]heneicosane-2,10-quinone
    13677
    A1INZ    		 3 C31 H44 N4 O6 InChI=1S/C31H44N4O6/c1-21
    -16-24-19-34(33-32-24)13-
    9-15-40-27-18-23(17-26(38
    -2)29(27)39-3)28(22-10-5-
    4-6-11-22)30(36)35-14-8-7
    -12-25(35)31(37)41-20-21/
    h17-19,21-22,25,28H,4-16,
    20H2,1-3H3/t21-,25+,28+/m
    1/s1;
    XNYXIOZDJFQUQO-ZNFSXRAMSA-N    		 COc1cc2cc(OCCCn3cc(C[C@@H](C)COC(=O)[C@@
    H]4CCCCN4C(=O)[C@H]2C5CCCCC5)nn3)c1OC; C
    Oc1cc2cc(OCCCn3cc(C[CH](C)COC(=O)[CH]4CC
    CCN4C(=O)[CH]2C5CCCCC5)nn3)c1OC; C[C@@H]
    1Cc2cn(nn2)CCCOc3cc(cc(c3OC)OC)[C@@H](C(
    =O)N4CCCC[C@H]4C(=O)OC1)C5CCCCC5; CC1Cc2
    cn(nn2)CCCOc3cc(cc(c3OC)OC)C(C(=O)N4CCCC
    C4C(=O)OC1)C5CCCCC5    		 2-cyclohexyl-18,19-dimethoxy-13-methyl-11,17-dioxa-4-aza-1lambda5,18lambda5-diphospha-1,15-distannatetracyclo[13.4.0.04,9.016,20]nonadecane-3,10-quinone
    13678
    A1IO0    		 1 C20 H32 N6 O5 InChI=1S/C20H32N6O5/c1-11
    (2)6-13(21)17(28)25-8-12(
    27)7-20(3,31)14(9-25)26-1
    0-22-16-15(26)18(29)24(5)
    19(30)23(16)4/h10-14,27,3
    1H,6-9,21H2,1-5H3/t12-,13
    +,14+,20+/m1/s1;
    FFMPXKQMGDIWEU-HFUQMLBGSA-N    		 CC(C)CC(C(=O)N1CC(CC(C(C1)n2cnc3c2C(=O)N
    (C(=O)N3C)C)(C)O)O)N; CC(C)C[C@@H](C(=O)
    N1C[C@@H](C[C@]([C@H](C1)n2cnc3c2C(=O)N(
    C(=O)N3C)C)(C)O)O)N; CC(C)C[CH](N)C(=O)N
    1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)C(=
    O)N(C)C(=O)c23; CC(C)C[C@H](N)C(=O)N1C[C
    @H](O)C[C@](C)(O)[C@H](C1)n2cnc3N(C)C(=O
    )N(C)C(=O)c23    		 7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
    13679
    A1IO1    		 1 C18 H26 N6 O7 InChI=1S/C18H26N6O7/c1-18
    (31)5-9(25)6-23(15(28)10(
    19)4-12(26)27)7-11(18)24-
    8-20-14-13(24)16(29)22(3)
    17(30)21(14)2/h8-11,25,31
    H,4-7,19H2,1-3H3,(H,26,27
    )/t9-,10-,11+,18+/m0/s1;
    PXCRTYLWTBRTOT-JXKOVVAVSA-N    		 CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)C[C]3(
    C)O)C(=O)[CH](N)CC(O)=O)c2C1=O; CC1(CC(C
    N(CC1n2cnc3c2C(=O)N(C(=O)N3C)C)C(=O)C(CC
    (=O)O)N)O)O; C[C@]1(C[C@@H](CN(C[C@H]1n2
    cnc3c2C(=O)N(C(=O)N3C)C)C(=O)[C@H](CC(=O
    )O)N)O)O; CN1C(=O)N(C)c2ncn([C@@H]3CN(C[
    C@@H](O)C[C@@]3(C)O)C(=O)[C@@H](N)CC(O)=
    O)c2C1=O    		 (3~{S})-3-azanyl-4-[(3~{R},4~{R},6~{S})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-4-oxidanylidene-butanoic acid
    13680
    A1IOA    		 2 C30 H43 N O7 InChI=1S/C30H43NO7/c1-34-
    25-20-23-21-26(28(25)35-2
    )37-19-11-17-36-16-9-4-10
    -18-38-30(33)24-14-7-8-15
    -31(24)29(32)27(23)22-12-
    5-3-6-13-22/h4,9,20-22,24
    ,27H,3,5-8,10-19H2,1-2H3/
    b9-4+/t24-,27-/m0/s1;
    OTNSABIMHVQNCJ-VUWUZGHLSA-N    		 COc1cc2cc(OCCCOC\C=C\CCOC(=O)[C@@H]3CCCC
    N3C(=O)[C@H]2C4CCCCC4)c1OC; COc1cc2cc(c1
    OC)OCCCOCC=CCCOC(=O)C3CCCCN3C(=O)C2C4CCC
    CC4; COc1cc2cc(c1OC)OCCCOC/C=C/CCOC(=O)[
    C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4; COc1cc2
    cc(OCCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]
    2C4CCCCC4)c1OC    		 (2~{S},9~{S},14~{E})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),14,22,24-tetraene-3,10-dione
    13681
    A1IOB    		 2 C30 H45 N O7 InChI=1S/C30H45NO7/c1-34-
    25-20-23-21-26(28(25)35-2
    )37-19-11-17-36-16-9-4-10
    -18-38-30(33)24-14-7-8-15
    -31(24)29(32)27(23)22-12-
    5-3-6-13-22/h20-22,24,27H
    ,3-19H2,1-2H3/t24-,27-/m0
    /s1;
    SEXSXNNZGUIQRG-IGKIAQTJSA-N    		 COc1cc2cc(c1OC)OCCCOCCCCCOC(=O)[C@@H]3CC
    CCN3C(=O)[C@H]2C4CCCCC4; COc1cc2cc(OCCCO
    CCCCCOC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCC
    CC4)c1OC; COc1cc2cc(c1OC)OCCCOCCCCCOC(=O
    )C3CCCCN3C(=O)C2C4CCCCC4; COc1cc2cc(OCCC
    OCCCCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC
    4)c1OC    		 (2~{S},9~{S})-2-cyclohexyl-23,24-dimethoxy-11,17,21-trioxa-4-azatricyclo[20.3.1.0^{4,9}]hexacosa-1(26),22,24-triene-3,10-dione
    13682
    A1IOC    		 2 C29 H41 N O7 InChI=1S/C29H41NO7/c1-33-
    24-19-22-20-25(27(24)34-2
    )36-18-17-35-15-9-4-10-16
    -37-29(32)23-13-7-8-14-30
    (23)28(31)26(22)21-11-5-3
    -6-12-21/h4,9,19-21,23,26
    H,3,5-8,10-18H2,1-2H3/b9-
    4+/t23-,26-/m0/s1;
    PNDVORSWFXFXQZ-NJKQNCIPSA-N    		 COc1cc2cc(OCCOC\C=C\CCOC(=O)[C@@H]3CCCCN
    3C(=O)[C@H]2C4CCCCC4)c1OC; COc1cc2cc(c1O
    C)OCCOC/C=C/CCOC(=O)[C@@H]3CCCCN3C(=O)[C
    @H]2C4CCCCC4; COc1cc2cc(c1OC)OCCOCC=CCCO
    C(=O)C3CCCCN3C(=O)C2C4CCCCC4; COc1cc2cc(
    OCCOCC=CCCOC(=O)[CH]3CCCCN3C(=O)[CH]2C4C
    CCCC4)c1OC    		 (2~{S},9~{S},14~{E})-2-cyclohexyl-22,23-dimethoxy-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13683
    A1IOD    		 2 C31 H45 N O9 InChI=1S/C31H45NO9/c1-20-
    25(34)13-9-15-39-23(18-33
    )19-40-27-17-22(16-26(37-
    2)29(27)38-3)28(21-10-5-4
    -6-11-21)30(35)32-14-8-7-
    12-24(32)31(36)41-20/h9,1
    3,16-17,20-21,23-25,28,33
    -34H,4-8,10-12,14-15,18-1
    9H2,1-3H3/b13-9+/t20-,23-
    ,24+,25+,28+/m1/s1;
    OORFHMIPOAXXDM-MLAXXWBISA-N    		 C[C@@H]1[C@H](/C=C/CO[C@@H](COc2cc(cc(c2
    OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O1)C4
    CCCCC4)CO)O; CC1C(C=CCOC(COc2cc(cc(c2OC)
    OC)C(C(=O)N3CCCCC3C(=O)O1)C4CCCCC4)CO)O;
    COc1cc2cc(OC[C@@H](CO)OC\C=C\[C@H](O)[C
    @@H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4C
    CCCC4)c1OC; COc1cc2cc(OC[CH](CO)OCC=C[CH
    ](O)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4
    CCCCC4)c1OC    		 (2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12-methyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13684
    A1IOE    		 2 C31 H45 N O8 InChI=1S/C31H45NO8/c1-20-
    19-39-27-18-23(17-26(36-3
    )29(27)37-4)28(22-11-6-5-
    7-12-22)30(34)32-15-9-8-1
    3-24(32)31(35)40-21(2)25(
    33)14-10-16-38-20/h10,14,
    17-18,20-22,24-25,28,33H,
    5-9,11-13,15-16,19H2,1-4H
    3/b14-10+/t20-,21+,24-,25
    -,28-/m0/s1;
    GBAZELAFJDJGFT-GUQVTNMCSA-N    		 CC1COc2cc(cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O
    )OC(C(C=CCO1)O)C)C4CCCCC4; C[C@H]1COc2cc
    (cc(c2OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O
    )O[C@@H]([C@H](/C=C/CO1)O)C)C4CCCCC4; CO
    c1cc2cc(OC[CH](C)OCC=C[CH](O)[CH](C)OC(=
    O)[CH]3CCCCN3C(=O)[CH]2C4CCCCC4)c1OC; CO
    c1cc2cc(OC[C@H](C)OC\C=C\[C@H](O)[C@@H](
    C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CCCCC4
    )c1OC    		 (2~{S},9~{S},12~{R},13~{S},14~{E},18~{S})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13685
    A1IOF    		 2 C31 H45 N O8 InChI=1S/C31H45NO8/c1-20-
    19-39-27-18-23(17-26(36-3
    )29(27)37-4)28(22-11-6-5-
    7-12-22)30(34)32-15-9-8-1
    3-24(32)31(35)40-21(2)25(
    33)14-10-16-38-20/h10,14,
    17-18,20-22,24-25,28,33H,
    5-9,11-13,15-16,19H2,1-4H
    3/b14-10+/t20-,21-,24+,25
    +,28+/m1/s1;
    GBAZELAFJDJGFT-DOMCBWBMSA-N    		 C[C@@H]1COc2cc(cc(c2OC)OC)[C@@H](C(=O)N3
    CCCC[C@H]3C(=O)O[C@@H]([C@H](/C=C/CO1)O)
    C)C4CCCCC4; COc1cc2cc(OC[C@@H](C)OC\C=C\
    [C@H](O)[C@@H](C)OC(=O)[C@@H]3CCCCN3C(=O
    )[C@H]2C4CCCCC4)c1OC; CC1COc2cc(cc(c2OC)
    OC)C(C(=O)N3CCCCC3C(=O)OC(C(C=CCO1)O)C)C
    4CCCCC4; COc1cc2cc(OC[CH](C)OCC=C[CH](O)
    [CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCC
    C4)c1OC    		 (2~{S},9~{S},12~{R},13~{S},14~{E},18~{R})-2-cyclohexyl-22,23-dimethoxy-12,18-dimethyl-13-oxidanyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13686
    A1IOG    		 2 C32 H47 N O8 InChI=1S/C32H47NO8/c1-21-
    11-10-16-39-25(19-34)20-4
    0-28-18-24(17-27(37-3)30(
    28)38-4)29(23-12-6-5-7-13
    -23)31(35)33-15-9-8-14-26
    (33)32(36)41-22(21)2/h10-
    11,17-18,21-23,25-26,29,3
    4H,5-9,12-16,19-20H2,1-4H
    3/b11-10+/t21-,22-,25+,26
    +,29+/m1/s1;
    WLMNBLHLWBXHOW-LQZQEUNFSA-N    		 COc1cc2cc(OC[C@H](CO)OC\C=C\[C@@H](C)[C@
    @H](C)OC(=O)[C@@H]3CCCCN3C(=O)[C@H]2C4CC
    CCC4)c1OC; C[C@@H]1/C=C/CO[C@H](COc2cc(c
    c(c2OC)OC)[C@@H](C(=O)N3CCCC[C@H]3C(=O)O
    [C@@H]1C)C4CCCCC4)CO; CC1C=CCOC(COc2cc(c
    c(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC1C)C4CCC
    CC4)CO; COc1cc2cc(OC[CH](CO)OCC=C[CH](C)
    [CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CCCC
    C4)c1OC    		 (2~{S},9~{S},12~{R},13~{R},14~{E},18~{S})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12,13-dimethyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13687
    A1IOH    		 2 C32 H47 N O8 InChI=1S/C32H47NO8/c1-21-
    11-10-16-39-25(19-34)20-4
    0-28-18-24(17-27(37-3)30(
    28)38-4)29(23-12-6-5-7-13
    -23)31(35)33-15-9-8-14-26
    (33)32(36)41-22(21)2/h10-
    11,17-18,21-23,25-26,29,3
    4H,5-9,12-16,19-20H2,1-4H
    3/b11-10+/t21-,22-,25-,26
    +,29+/m1/s1;
    WLMNBLHLWBXHOW-CARBWLHASA-N    		 C[C@@H]1/C=C/CO[C@@H](COc2cc(cc(c2OC)OC)
    [C@@H](C(=O)N3CCCC[C@H]3C(=O)O[C@@H]1C)C
    4CCCCC4)CO; COc1cc2cc(OC[C@@H](CO)OC/C=C
    /[C@@H](C)[C@@H](C)OC(=O)[C@@H]3CCCCN3C(
    =O)[C@H]2C4CCCCC4)c1OC; CC1C=CCOC(COc2cc
    (cc(c2OC)OC)C(C(=O)N3CCCCC3C(=O)OC1C)C4C
    CCCC4)CO; COc1cc2cc(OC[CH](CO)OCC=C[CH](
    C)[CH](C)OC(=O)[CH]3CCCCN3C(=O)[CH]2C4CC
    CCC4)c1OC    		 (2~{S},9~{S},12~{R},13~{R},14~{E},18~{R})-2-cyclohexyl-18-(hydroxymethyl)-22,23-dimethoxy-12,13-dimethyl-11,17,20-trioxa-4-azatricyclo[19.3.1.0^{4,9}]pentacosa-1(25),14,21,23-tetraene-3,10-dione
    13688
    A1IOL    		 2 C22 H35 N7 O6 InChI=1S/C22H35N7O6/c1-13
    (30)24-8-6-5-7-15(23)19(3
    2)28-10-14(31)9-22(2,35)1
    6(11-28)29-12-25-18-17(29
    )20(33)27(4)21(34)26(18)3
    /h12,14-16,31,35H,5-11,23
    H2,1-4H3,(H,24,30)/t14-,1
    5+,16+,22+/m1/s1;
    GVNVRCRSNWOHEA-YDGQEPMXSA-N    		 CC(=O)NCCCC[C@@H](C(=O)N1C[C@@H](C[C@]([
    C@H](C1)n2cnc3c2C(=O)N(C(=O)N3C)C)(C)O)O
    )N; CC(=O)NCCCCC(C(=O)N1CC(CC(C(C1)n2cnc
    3c2C(=O)N(C(=O)N3C)C)(C)O)O)N; CN1C(=O)N
    (C)c2ncn([CH]3CN(C[CH](O)C[C]3(C)O)C(=O)
    [CH](N)CCCCNC(C)=O)c2C1=O; CN1C(=O)N(C)c
    2ncn([C@H]3CN(C[C@H](O)C[C@]3(C)O)C(=O)[
    C@@H](N)CCCCNC(C)=O)c2C1=O    		 ~{N}-[(5~{S})-5-azanyl-6-[(3~{S},4~{S},6~{R})-3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-4-methyl-4,6-bis(oxidanyl)azepan-1-yl]-6-oxidanylidene-hexyl]ethanamide
    13689
    A1IOM    		 2 C14 H12 N2 O6 V InChI=1S/C14H14N2O4.2O.V/
    c1-2-19-11-6-3-5-10(13(11
    )17)9-15-16-14(18)12-7-4-
    8-20-12;;;/h3-9,17H,2H2,1
    H3,(H,16,18);;;/q;;;+2/p-
    2/b15-9+;;;;
    CYYWESREVLZULB-SFRYUHGMSA-L    		 CCOc1cccc2C=NN=C(O[V](=O)(=O)Oc12)c3occc
    3; CCOc1cccc2c1O[V]3(=O)(=O)[N](=C2)N=C(
    O3)c4ccco4    		 dioxidovanadium(V) complex with furan-2-carboxylic acid (3-ethoxy-2-hydroxybenzylidene)hydrazide;
    13-ethoxy-5-(furan-2-yl)-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide
    13690
    A1ION    		 1 C14 H12 N2 O6 V InChI=1S/C14H14N2O4.2O.V/
    c1-9(11-8-10(19-2)5-6-12(
    11)17)15-16-14(18)13-4-3-
    7-20-13;;;/h3-8,17H,1-2H3
    ,(H,16,18);;;/q;;;+2/p-2/
    b15-9+;;;;
    UVZQNCVDJKEIHV-SFRYUHGMSA-L    		 COc1ccc2O[V](=O)(=O)OC(=NN=C(C)c2c1)c3oc
    cc3; CC1=[N]2N=C(O[V]2(=O)(=O)Oc3c1cc(cc
    3)OC)c4ccco4    		 dioxidovanadium(V) complex with (E)-N'-(1-(2-hydroxy-5-methoxyphenyl)ethylidene)furan-2-carbohydrazide;
    5-(furan-2-yl)-11-methoxy-8-methyl-2,4$l^{3}-dioxa-6,7$l^{4}-diaza-3$l^{7}-vanadatricyclo[7.4.0.0^{3,7}]trideca-1(9),4,7,10,12-pentaene 3,3-dioxide
    13691
    A1IOQ    		 1 C9 H11 Cl N4 O2 InChI=1S/C9H11ClN4O2/c1-1
    2-7-6(8(15)13(2)9(12)16)1
    4(4-3-10)5-11-7/h5H,3-4H2
    ,1-2H3;
    QCIARNIKNKKHFH-UHFFFAOYSA-N    		 CN1C(=O)N(C)c2ncn(CCCl)c2C1=O; CN1c2c(n(
    cn2)CCCl)C(=O)N(C1=O)C    		 7-(2-chloroethyl)-1,3-dimethyl-purine-2,6-dione
    13692
    A1IOV    		 1 C20 H32 N6 O5 InChI=1S/C20H32N6O5/c1-11
    (2)6-13(21)17(28)25-8-12(
    27)7-20(3,31)14(9-25)26-1
    0-22-16-15(26)18(29)24(5)
    19(30)23(16)4/h10-14,27,3
    1H,6-9,21H2,1-5H3/t12-,13
    -,14+,20+/m0/s1;
    FFMPXKQMGDIWEU-LKWXMQFFSA-N    		 CC(C)CC(C(=O)N1CC(CC(C(C1)n2cnc3c2C(=O)N
    (C(=O)N3C)C)(C)O)O)N; CC(C)C[C@H](N)C(=O
    )N1C[C@@H](O)C[C@@](C)(O)[C@@H](C1)n2cnc
    3N(C)C(=O)N(C)C(=O)c23; CC(C)C[C@@H](C(=
    O)N1C[C@H](C[C@@]([C@@H](C1)n2cnc3c2C(=O
    )N(C(=O)N3C)C)(C)O)O)N; CC(C)C[CH](N)C(=
    O)N1C[CH](O)C[C](C)(O)[CH](C1)n2cnc3N(C)
    C(=O)N(C)C(=O)c23    		 7-[(3~{R},4~{R},6~{S})-1-[(2~{S})-2-azanyl-4-methyl-pentanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
    13693
    A1IOZ    		 1 C22 H28 N6 O5 InChI=1S/C22H28N6O5/c1-22
    (33)8-15(29)10-27(19(30)1
    4-6-4-5-13(7-14)9-23)11-1
    6(22)28-12-24-18-17(28)20
    (31)26(3)21(32)25(18)2/h4
    -7,12,15-16,29,33H,8-11,2
    3H2,1-3H3/t15-,16+,22+/m1
    /s1;
    FXPPOWIXSPMXLU-VVBPWWLESA-N    		 CC1(CC(CN(CC1n2cnc3c2C(=O)N(C(=O)N3C)C)C
    (=O)c4cccc(c4)CN)O)O; CN1C(=O)N(C)c2ncn(
    [CH]3CN(C[CH](O)C[C]3(C)O)C(=O)c4cccc(CN
    )c4)c2C1=O; C[C@@]1(C[C@H](CN(C[C@@H]1n2
    cnc3c2C(=O)N(C(=O)N3C)C)C(=O)c4cccc(c4)C
    N)O)O; CN1C(=O)N(C)c2ncn([C@H]3CN(C[C@H]
    (O)C[C@]3(C)O)C(=O)c4cccc(CN)c4)c2C1=O    		 7-[(3~{S},4~{S},6~{R})-1-[3-(aminomethyl)phenyl]carbonyl-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
    13694
    A1IPJ    		 1 C19 H23 F3 N4 O InChI=1S/C19H23F3N4O/c1-3
    -26-8-4-5-14(11-26)23-17-
    7-6-15(24-25-17)18-12(2)9
    -13(10-16(18)27)19(20,21)
    22/h6-7,9-10,14,27H,3-5,8
    ,11H2,1-2H3,(H,23,25)/t14
    -/m1/s1;
    UVVZGYXCKGWWCC-CQSZACIVSA-N    		 CCN1CCC[CH](C1)Nc2ccc(nn2)c3c(C)cc(cc3O)
    C(F)(F)F; CCN1CCC[C@H](C1)Nc2ccc(nn2)c3c
    (C)cc(cc3O)C(F)(F)F; CCN1CCC[C@H](C1)Nc2
    ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C; CCN1CCCC
    (C1)Nc2ccc(nn2)c3c(cc(cc3O)C(F)(F)F)C    		 2-[6-[[(3R)-1-ethylpiperidin-3-yl]amino]pyridazin-3-yl]-3-methyl-5-(trifluoromethyl)phenol
    13695
    A1IPK    		 2 C26 H34 N2 O5 InChI=1S/C26H34N2O5/c1-5-
    24(29)22(15-19-10-7-6-8-1
    1-19)28-26(31)23(14-18(2)
    3)27-25(30)17-33-21-13-9-
    12-20(16-21)32-4/h6-13,16
    ,18,22-23H,5,14-15,17H2,1
    -4H3,(H,27,30)(H,28,31)/t
    22-,23-/m0/s1;
    SKKDMKCPTJKHEB-GOTSBHOMSA-N    		 CCC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)
    COc2cccc(c2)OC; CCC(=O)[C@H](Cc1ccccc1)N
    C(=O)[C@H](CC(C)C)NC(=O)COc2cccc(OC)c2;
    CCC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)
    C)NC(=O)COc2cccc(c2)OC; CCC(=O)[CH](Cc1c
    cccc1)NC(=O)[CH](CC(C)C)NC(=O)COc2cccc(O
    C)c2    		 (2S)-2-[2-(3-methoxyphenoxy)ethanoylamino]-4-methyl-N-[(2S)-3-oxidanylidene-1-phenyl-pentan-2-yl]pentanamide
    13696
    A1IPL    		 0 C9 H13 B N O5 InChI=1S/C9H13BNO5/c11-8(
    9(12)13)5-6-1-3-7(4-2-6)1
    0(14,15)16/h1-4,8,14-16H,
    5,11H2,(H,12,13)/t8-/m0/s
    1;
    RKKVYNKEKVALLU-QMMMGPOBSA-N    		 B(c1ccc(cc1)C[C@@H](C(=O)O)N)(O)(O)O; B(
    c1ccc(cc1)CC(C(=O)O)N)(O)(O)O; N[C@@H](C
    c1ccc(cc1)[B](O)(O)O)C(O)=O; N[CH](Cc1cc
    c(cc1)[B](O)(O)O)C(O)=O    		 para-boronophenylalanine;
    [4-[(2~{S})-2-azanyl-3-oxidanyl-3-oxidanylidene-propyl]phenyl]-$l^{3}-oxidanyl-bis(oxidanyl)boron
    13697
    A1IQM    		 1 C27 H46 O2 Si InChI=1S/C27H46O2Si/c1-19
    (9-8-16-30(4,5)6)24-13-14
    -25-21(10-7-15-27(24,25)3
    )11-12-22-17-23(28)18-26(
    29)20(22)2/h11-12,19,23-2
    6,28-29H,2,7-10,13-18H2,1
    ,3-6H3/b21-11+,22-12-/t19
    -,23-,24-,25+,26+,27-/m1/
    s1;
    OTBSZBXRIBUUEI-AVJTYSNKSA-N    		 C[CH](CCC[Si](C)(C)C)[CH]1CC[CH]2C(CCC[C
    ]12C)=CC=C3C[CH](O)C[CH](O)C3=C; C[C@H](
    CCC[Si](C)(C)C)[C@H]1CC[C@@H]\2[C@@]1(CC
    C/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C;
    CC(CCC[Si](C)(C)C)C1CCC2C1(CCCC2=CC=C3CC
    (CC(C3=C)O)O)C; C[C@H](CCC[Si](C)(C)C)[C
    @H]1CC[C@H]2/C(CCC[C@]12C)=C/C=C3/C[C@@H
    ](O)C[C@H](O)C3=C    		 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpentan-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    13698
    A1IQN    		 1 C27 H42 O2 Si InChI=1S/C27H42O2Si/c1-19
    (9-8-16-30(4,5)6)24-13-14
    -25-21(10-7-15-27(24,25)3
    )11-12-22-17-23(28)18-26(
    29)20(22)2/h11-12,19,23-2
    6,28-29H,2,7,9-10,13-15,1
    7-18H2,1,3-6H3/b21-11+,22
    -12-/t19-,23-,24-,25+,26+
    ,27-/m1/s1;
    TXKCTYTZFLKCFP-AVJTYSNKSA-N    		 C[CH](CC#C[Si](C)(C)C)[CH]1CC[CH]2C(CCC[
    C]12C)=CC=C3C[CH](O)C[CH](O)C3=C; CC(CC#
    C[Si](C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C
    3=C)O)O)C; C[C@H](CC#C[Si](C)(C)C)[C@H]1
    CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C
    [C@@H](C3=C)O)O)C; C[C@H](CC#C[Si](C)(C)
    C)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C3\C[
    C@@H](O)C[C@H](O)C3=C    		 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-7~{a}-methyl-1-[(2~{R})-5-trimethylsilylpent-4-yn-2-yl]-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    13699
    A1IQO    		 1 C26 H36 O2 Si InChI=1S/C26H36O2Si/c1-19
    -21(17-23(27)18-25(19)28)
    12-11-20-9-8-15-26(2)22(1
    3-14-24(20)26)10-6-7-16-2
    9(3,4)5/h11-12,22-25,27-2
    8H,1,8-9,13-15,17-18H2,2-
    5H3/b20-11+,21-12-/t22-,2
    3+,24-,25-,26+/m0/s1;
    SVRDOTHFFYRNNJ-DEIDFBEBSA-N    		 C[C@]12CCC/C(=C\C=C/3\C[C@H](C[C@@H](C3=
    C)O)O)/[C@@H]1CC[C@@H]2C#CC#C[Si](C)(C)C
    ; C[C]12CCCC(=CC=C3C[CH](O)C[CH](O)C3=C)
    [CH]1CC[CH]2C#CC#C[Si](C)(C)C; CC12CCCC(
    =CC=C3CC(CC(C3=C)O)O)C1CCC2C#CC#C[Si](C)
    (C)C; C[C@]12CCCC(=C\C=C3\C[C@@H](O)C[C@
    H](O)C3=C)/[C@@H]1CC[C@@H]2C#CC#C[Si](C)
    (C)C    		 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{S},3~{a}~{S},7~{a}~{S})-7~{a}-methyl-1-(4-trimethylsilylbuta-1,3-diynyl)-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    13700
    A1IQP    		 1 C30 H48 O2 Si InChI=1S/C30H48O2Si/c1-21
    (11-10-18-33(7,8)29(3,4)5
    )26-15-16-27-23(12-9-17-3
    0(26,27)6)13-14-24-19-25(
    31)20-28(32)22(24)2/h13-1
    4,21,25-28,31-32H,2,9,11-
    12,15-17,19-20H2,1,3-8H3/
    b23-13+,24-14-/t21-,25-,2
    6-,27+,28+,30-/m1/s1;
    PXYICUQZBKYXSJ-JJADZVGUSA-N    		 C[C@H](CC#C[Si](C)(C)C(C)(C)C)[C@H]1CC[C
    @H]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@
    H](O)C3=C; C[C@H](CC#C[Si](C)(C)C(C)(C)C
    )[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C
    [C@H](C[C@@H](C3=C)O)O)C; C[CH](CC#C[Si]
    (C)(C)C(C)(C)C)[CH]1CC[CH]2C(CCC[C]12C)=
    CC=C3C[CH](O)C[CH](O)C3=C; CC(CC#C[Si](C
    )(C)C(C)(C)C)C1CCC2C1(CCCC2=CC=C3CC(CC(C
    3=C)O)O)C    		 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-[~{tert}-butyl(dimethyl)silyl]pent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    13701
    A1IQQ    		 1 C26 H40 O2 Si InChI=1S/C26H40O2Si/c1-18
    (8-7-15-29(4)5)23-12-13-2
    4-20(9-6-14-26(23,24)3)10
    -11-21-16-22(27)17-25(28)
    19(21)2/h10-11,18,22-25,2
    7-29H,2,6,8-9,12-14,16-17
    H2,1,3-5H3/b20-10+,21-11-
    /t18-,22-,23-,24+,25+,26-
    /m1/s1;
    JVSRRQWNCLSDIH-KPJOBTTESA-N    		 CC(CC#C[SiH](C)C)C1CCC2C1(CCCC2=CC=C3CC(
    CC(C3=C)O)O)C; C[CH](CC#C[SiH](C)C)[CH]1
    CC[CH]2C(CCC[C]12C)=CC=C3C[CH](O)C[CH](O
    )C3=C; C[C@H](CC#C[SiH](C)C)[C@H]1CC[C@H
    ]2\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@H]
    (O)C3=C; C[C@H](CC#C[SiH](C)C)[C@H]1CC[C
    @@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@
    H](C3=C)O)O)C    		 (1~{R},3~{S},5~{Z})-5-[(2~{E})-2-[(1~{R},3~{a}~{S},7~{a}~{R})-1-[(2~{R})-5-dimethylsilylpent-4-yn-2-yl]-7~{a}-methyl-2,3,3~{a},5,6,7-hexahydro-1~{H}-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol
    13702
    A1IQS    		 1 C25 H31 N7 O5 InChI=1S/C25H31N7O5/c1-25
    (37)9-15(33)11-31(22(34)1
    7(26)8-14-10-27-18-7-5-4-
    6-16(14)18)12-19(25)32-13
    -28-21-20(32)23(35)30(3)2
    4(36)29(21)2/h4-7,10,13,1
    5,17,19,27,33,37H,8-9,11-
    12,26H2,1-3H3/t15?,17?,19
    ?,25-/m0/s1;
    DDNGVXBWJTUXAH-YNQYGCNBSA-N    		 CN1C(=O)N(C)c2ncn([C@H]3CN(C[C@H](O)C[C@
    ]3(C)O)C(=O)[C@@H](N)Cc4c[nH]c5ccccc45)c
    2C1=O; C[C@@]1(C[C@H](CN(C[C@@H]1n2cnc3c
    2C(=O)N(C(=O)N3C)C)C(=O)[C@H](Cc4c[nH]c5
    c4cccc5)N)O)O; CC1(CC(CN(CC1n2cnc3c2C(=O
    )N(C(=O)N3C)C)C(=O)C(Cc4c[nH]c5c4cccc5)N
    )O)O; CN1C(=O)N(C)c2ncn([CH]3CN(C[CH](O)
    C[C]3(C)O)C(=O)[CH](N)Cc4c[nH]c5ccccc45)
    c2C1=O    		 7-[(3~{S},4~{S},6~{R})-1-[(2~{S})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]-4-methyl-4,6-bis(oxidanyl)azepan-3-yl]-1,3-dimethyl-purine-2,6-dione
    13703
    A1IQW    		 4 C18 H15 F2 N2 O7 Ru2 InChI=1S/C13H9F2N2.2C2H4O
    2.CH2O3.2Ru/c14-10-1-5-12
    (6-2-10)16-9-17-13-7-3-11
    (15)4-8-13;2*1-2(3)4;2-1(
    3)4;;/h1-9H;2*1H3,(H,3,4)
    ;(H2,2,3,4);;/q-1;;;;+1;+
    4/p-4;
    SGNOFJFBIMDYBK-UHFFFAOYSA-J    		 CC(=O)[O-].CC(=O)[O-].[O-]C(=O)O[Ru++]N(
    C=[N-]([Ru++])c1ccc(F)cc1)c2ccc(F)cc2; C
    C1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-
    ]C(=O3)C)[O-]C(=O)O4)c5ccc(cc5)F)c6ccc(c
    c6)F    		 [Ru2-N,N'-diphenylformamidinate(O2CCH3)2(O2CO)] complex;
    Diruthenium complex
    13704
    A1IR6    		 8 C26 H59 N O29 P4 InChI=1S/C26H59NO29P4/c27
    -5-3-1-2-4-6-49-57(41,42)
    50-9-17(31)24(38)18(32)10
    -53-59(45,46)54-13-21(35)
    26(40)22(36)14-56-60(47,4
    8)55-12-20(34)25(39)19(33
    )11-52-58(43,44)51-8-16(3
    0)23(37)15(29)7-28/h15-26
    ,28-40H,1-14,27H2,(H,41,4
    2)(H,43,44)(H,45,46)(H,47
    ,48)/t15-,16+,17+,18-,19-
    ,20+,21+,22-,23-,24+,25-,
    26+/m0/s1;
    RCKXLZVGBDVNAH-XRRZROOQSA-N    		 NCCCCCCO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C
    @@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[
    C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)
    [C@@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O
    )[C@@H](O)CO; C(CCCOP(=O)(O)OC[C@H]([C@H
    ]([C@H](COP(=O)(O)OC[C@H]([C@H]([C@H](CO
    P(=O)(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC
    [C@H]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)O
    )O)O)CCN; C(CCCOP(=O)(O)OCC(C(C(COP(=O)(
    O)OCC(C(C(COP(=O)(O)OCC(C(C(COP(=O)(O)OC
    C(C(C(CO)O)O)O)O)O)O)O)O)O)O)O)O)CCN; NC
    CCCCCO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)C
    O[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](
    O)(=O)OC[CH](O)[CH](O)[CH](O)CO[P](O)(=O
    )OC[CH](O)[CH](O)[CH](O)CO    		 (Ribitol-phosphate)4-(CH2)6-NH2;
    [(2S,3S,4R)-5-[[(2S,3R,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
    13705
    A1IRC    		 1 C26 H20 F3 N5 O2 InChI=1S/C26H20F3N5O2/c1-
    3-24(35)33-22-11-9-19(14-
    21(22)26(27,28)29)32-25(3
    6)18-7-6-16(2)17(13-18)8-
    10-20-15-30-23-5-4-12-31-
    34(20)23/h4-7,9,11-15H,3H
    2,1-2H3,(H,32,36)(H,33,35
    );
    FTNOFDRVSQZWOA-UHFFFAOYSA-N    		 CCC(=O)Nc1ccc(cc1C(F)(F)F)NC(=O)c2ccc(c(
    c2)C#Cc3cnc4n3nccc4)C; CCC(=O)Nc1ccc(NC(
    =O)c2ccc(C)c(c2)C#Cc3cnc4cccnn34)cc1C(F)
    (F)F    		 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-~{N}-[4-(propanoylamino)-3-(trifluoromethyl)phenyl]benzamide
    13706
    A1IRY    		 1 C46 H70 Fe N5 O10 InChI=1S/C46H71N5O10.Fe/c
    1-3-4-5-6-7-8-9-10-11-12-
    13-14-15-16-17-18-19-30-4
    2(54)50(58)31-24-23-28-38
    (48-43(55)39-34-60-44(49-
    39)36-26-20-21-29-40(36)5
    2)46(57)61-35(2)33-41(53)
    47-37-27-22-25-32-51(59)4
    5(37)56;/h19-21,26,29-30,
    35,37-39,52H,3-18,22-25,2
    7-28,31-34H2,1-2H3,(H,47,
    53)(H,48,55);/q-2;+6/p-1/
    b30-19+;/t35-,37+,38+,39-
    ;/m1./s1;
    WIDLAQIWGHKGKG-VVKRVUJQSA-M    		 CCCCCCCCCCCCCCCCC/C=C/C(=O)[N@]1CCCC[C@@
    H]2NC(=O)[C@H]3COC(=N3)c4ccccc4O[Fe+3](O
    1)O[N@]5CCCC[C@H](NC(=O)C[C@@H](C)OC2=O)
    C5=O; CCCCCCCCCCCCCCCCC/C=C/C1=O[Fe+3]23
    45[N]6=C(c7ccccc7O2)OC[C@@H]6C(=O)N[C@@H
    ](CCCCN1O3)C(=O)O[C@@H](CC(=O)N[C@H]8CCC
    CN(C8=O4)O5)C; CCCCCCCCCCCCCCCCCC=CC(=O)
    [N]1CCCC[CH]2NC(=O)[CH]3COC(=N3)c4ccccc4
    O[Fe+3](O1)O[N]5CCCC[CH](NC(=O)C[CH](C)O
    C2=O)C5=O; CCCCCCCCCCCCCCCCCC=CC1=O[Fe+3
    ]2345[N]6=C(c7ccccc7O2)OCC6C(=O)NC(CCCCN
    1O3)C(=O)OC(CC(=O)NC8CCCCN(C8=O4)O5)C    		 Mycobactin S;
    [4-[(1-hydroxy-2-oxoazepan-3-yl)amino]-4-oxobutan-2-yl] 6-[hydroxy-[(E)-octadec-2-enoyl]amino]-2-[[2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]hexanoate
    13707
    A1IRZ    		 3 C21 H48 N O22 P3 InChI=1S/C21H48NO22P3/c22
    -5-3-1-2-4-6-39-45(33,34)
    40-9-15(26)20(31)16(27)10
    -43-47(37,38)44-12-18(29)
    21(32)17(28)11-42-46(35,3
    6)41-8-14(25)19(30)13(24)
    7-23/h13-21,23-32H,1-12,2
    2H2,(H,33,34)(H,35,36)(H,
    37,38)/t13-,14+,15+,16-,1
    7-,18+,19-,20+,21-/m0/s1;
    POHGLNKPGYJWGF-HENMOWIDSA-N    		 C(CCCOP(=O)(O)OC[C@H]([C@H]([C@H](COP(=O
    )(O)OC[C@H]([C@H]([C@H](COP(=O)(O)OC[C@H
    ]([C@H]([C@H](CO)O)O)O)O)O)O)O)O)O)CCN;
    C(CCCOP(=O)(O)OCC(C(C(COP(=O)(O)OCC(C(C(
    COP(=O)(O)OCC(C(C(CO)O)O)O)O)O)O)O)O)O)C
    CN; NCCCCCCO[P](O)(=O)OC[CH](O)[CH](O)[C
    H](O)CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)
    CO[P](O)(=O)OC[CH](O)[CH](O)[CH](O)CO; N
    CCCCCCO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C@
    @H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[C
    @@H](O)CO[P](O)(=O)OC[C@@H](O)[C@@H](O)[
    C@@H](O)CO    		 (Ribitol-phosphate)3-(CH2)6-NH2;
    [(2S,3S,4R)-5-[[(2S,3R,4R)-5-[6-azanylhexoxy(oxidanyl)phosphoryl]oxy-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl]oxy-2,3,4-tris(oxidanyl)pentyl] [(2R,3S,4S)-2,3,4,5-tetrakis(oxidanyl)pentyl] hydrogen phosphate
    13708
    A1IS8    		 1 C19 H21 F N6 O InChI=1S/C19H21FN6O/c20-1
    5-4-7-26(12-15)19-22-5-3-
    17(24-19)13-2-1-6-25(11-1
    3)18(27)14-8-16(9-21)23-1
    0-14/h3,5,8,10,13,15,23H,
    1-2,4,6-7,11-12H2/t13-,15
    +/m0/s1;
    IFZRSKADNXCPNJ-DZGCQCFKSA-N    		 F[C@@H]1CCN(C1)c2nccc(n2)[C@H]3CCCN(C3)C
    (=O)c4c[nH]c(c4)C#N; c1cnc(nc1C2CCCN(C2)
    C(=O)c3cc([nH]c3)C#N)N4CCC(C4)F; F[CH]1C
    CN(C1)c2nccc(n2)[CH]3CCCN(C3)C(=O)c4c[nH
    ]c(c4)C#N; c1cnc(nc1[C@H]2CCCN(C2)C(=O)c
    3cc([nH]c3)C#N)N4CC[C@H](C4)F    		 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile
    13709
    A1ISA    		 1 C22 H20 N4 O2 InChI=1S/C22H20N4O2/c1-3-
    15-13-20(27)26(16-9-5-4-6
    -10-16)21-17(15)14-23-22(
    25-21)24-18-11-7-8-12-19(
    18)28-2/h4-14H,3H2,1-2H3,
    (H,23,24,25);
    HPXXVKFIRJYEBH-UHFFFAOYSA-N    		 CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4cc
    ccc4; CCC1=CC(=O)N(c2ccccc2)c3nc(Nc4cccc
    c4OC)ncc13    		 5-ethyl-2-[(2-methoxyphenyl)amino]-8-phenyl-pyrido[2,3-d]pyrimidin-7-one
    13710
    A1ISG    		 4 C22 H25 F6 N5 O3 S InChI=1S/C22H25F6N5O3S/c2
    3-14(7-11-1-2-11)17(34)31
    -16(12-3-5-21(24,25)6-4-1
    2)18(35)32-19-29-8-13(37-
    19)9-33-10-15(22(26,27)28
    )30-20(33)36/h7-8,11-12,1
    5-16H,1-6,9-10H2,(H,30,36
    )(H,31,34)(H,29,32,35)/b1
    4-7+/t15-,16-/m0/s1;
    RAUBJNYJWUUXAZ-JEYQBLLFSA-N    		 c1c(sc(n1)NC(=O)[C@H](C2CCC(CC2)(F)F)NC(
    =O)/C(=C\C3CC3)/F)CN4C[C@H](NC4=O)C(F)(F
    )F; FC(=CC1CC1)C(=O)N[CH](C2CCC(F)(F)CC2
    )C(=O)Nc3sc(CN4C[CH](NC4=O)C(F)(F)F)cn3;
    c1c(sc(n1)NC(=O)C(C2CCC(CC2)(F)F)NC(=O)
    C(=CC3CC3)F)CN4CC(NC4=O)C(F)(F)F; FC(=C/
    C1CC1)/C(=O)N[C@@H](C2CCC(F)(F)CC2)C(=O)
    Nc3sc(CN4C[C@H](NC4=O)C(F)(F)F)cn3    		 (E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[[(4S)-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide
    13711
    A1ISH    		 2 C25 H26 F3 N5 O3 S InChI=1S/C25H26F3N5O3S/c2
    6-17(11-14-5-6-14)21(34)3
    1-20(15-7-9-25(27,28)10-8
    -15)22(35)32-23-29-12-16(
    37-23)13-33-19-4-2-1-3-18
    (19)30-24(33)36/h1-4,11-1
    2,14-15,20H,5-10,13H2,(H,
    30,36)(H,31,34)(H,29,32,3
    5)/b17-11+/t20-/m0/s1;
    AJOCPADFBVGXDZ-KDMTZKAISA-N    		 FC(=CC1CC1)C(=O)N[CH](C2CCC(F)(F)CC2)C(=
    O)Nc3sc(CN4C(=O)Nc5ccccc45)cn3; c1ccc2c(
    c1)NC(=O)N2Cc3cnc(s3)NC(=O)C(C4CCC(CC4)(
    F)F)NC(=O)C(=CC5CC5)F; c1ccc2c(c1)NC(=O)
    N2Cc3cnc(s3)NC(=O)[C@H](C4CCC(CC4)(F)F)N
    C(=O)/C(=C\C5CC5)/F; FC(=C/C1CC1)/C(=O)N
    [C@@H](C2CCC(F)(F)CC2)C(=O)Nc3sc(CN4C(=O
    )Nc5ccccc45)cn3    		 (E)-N-[(1S)-1-[4,4-bis(fluoranyl)cyclohexyl]-2-oxidanylidene-2-[[5-[(2-oxidanylidene-3H-benzimidazol-1-yl)methyl]-1,3-thiazol-2-yl]amino]ethyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide
    13712
    A1ISO    		 2 C7 H17 N InChI=1S/C7H17N/c1-2-3-4-
    5-6-7-8/h2-8H2,1H3;
    WJYIASZWHGOTOU-UHFFFAOYSA-N    		 CCCCCCCN n-heptylamine;
    heptan-1-amine
    13713
    A1IT1    		 2 C27 H26 N2 O2 InChI=1S/C27H26N2O2/c30-2
    6-17-24(22-13-7-8-14-23(2
    2)26)27(31)29-16-15-28(18
    -20-9-3-1-4-10-20)25(19-2
    9)21-11-5-2-6-12-21/h1-14
    ,24-25H,15-19H2/t24-,25+/
    m1/s1;
    UTDHFZWVCNRNGD-RPBOFIJWSA-N    		 O=C1C[C@@H](C(=O)N2CCN(Cc3ccccc3)[C@@H](
    C2)c4ccccc4)c5ccccc15; c1ccc(cc1)CN2CCN(
    C[C@H]2c3ccccc3)C(=O)[C@@H]4CC(=O)c5c4cc
    cc5; c1ccc(cc1)CN2CCN(CC2c3ccccc3)C(=O)C
    4CC(=O)c5c4cccc5; O=C1C[CH](C(=O)N2CCN(C
    c3ccccc3)[CH](C2)c4ccccc4)c5ccccc15    		 (3~{R})-3-[(3~{R})-3-phenyl-4-(phenylmethyl)piperazin-1-yl]carbonyl-2,3-dihydroinden-1-one;
    (3R)-3-[(3R)-4-benzyl-3-phenyl-piperidine-1-carbonyl]indan-1-one
    13714
    A1IT2    		 4 C24 H20 N2 O3 InChI=1S/C24H20N2O3/c27-2
    2-15-21(19-13-7-8-14-20(1
    9)22)24(29)25-16-23(28)26
    (17-9-3-1-4-10-17)18-11-5
    -2-6-12-18/h1-14,21H,15-1
    6H2,(H,25,29)/t21-/m1/s1;
    OVTASNKGDKQWNA-OAQYLSRUSA-N    		 O=C(CNC(=O)[C@@H]1CC(=O)c2ccccc12)N(c3cc
    ccc3)c4ccccc4; c1ccc(cc1)N(c2ccccc2)C(=O
    )CNC(=O)[C@@H]3CC(=O)c4c3cccc4; O=C(CNC(
    =O)[CH]1CC(=O)c2ccccc12)N(c3ccccc3)c4ccc
    cc4; c1ccc(cc1)N(c2ccccc2)C(=O)CNC(=O)C3
    CC(=O)c4c3cccc4    		 (1~{R})-~{N}-[2-(diphenylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,2-dihydroindene-1-carboxamide;
    (1R)-3-oxo-N-[2-oxo-2-(N-phenylanilino)ethyl]indane-1-carboxamide
    13715
    A1ITA    		 1 C23 H25 N9 O2 InChI=1S/C23H25N9O2/c1-25
    -22-19(16-11-26-12-17-18(
    16)27-13-31(17)2)29-20(21
    (24)33)23(30-22)28-14-3-5
    -15(6-4-14)32-7-9-34-10-8
    -32/h3-6,11-13H,7-10H2,1-
    2H3,(H2,24,33)(H2,25,28,3
    0);
    LHHRWQSZVGBCHK-UHFFFAOYSA-N    		 CNc1nc(Nc2ccc(cc2)N3CCOCC3)c(nc1c4cncc5n
    (C)cnc45)C(N)=O; CNc1c(nc(c(n1)Nc2ccc(cc
    2)N3CCOCC3)C(=O)N)c4cncc5c4ncn5C    		 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide
    13716
    A1ITB    		 1 C21 H20 F3 N9 O InChI=1S/C21H20F3N9O/c1-1
    0-13(7-33(31-10)8-21(22,2
    3)24)28-20-18(19(25)34)29
    -17(15(30-20)11-3-4-11)12
    -5-26-6-14-16(12)27-9-32(
    14)2/h5-7,9,11H,3-4,8H2,1
    -2H3,(H2,25,34)(H,28,30);
    YLGMPWWMPCGYBF-UHFFFAOYSA-N    		 Cn1cnc2c1cncc2c3nc(C(N)=O)c(Nc4cn(CC(F)(
    F)F)nc4C)nc3C5CC5; Cc1c(cn(n1)CC(F)(F)F)
    Nc2c(nc(c(n2)C3CC3)c4cncc5c4ncn5C)C(=O)N    		 5-cyclopropyl-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[3-methyl-1-[2,2,2-tris(fluoranyl)ethyl]pyrazol-4-yl]amino]pyrazine-2-carboxamide
    13717
    A1ITC    		 1 C23 H23 N7 O2 InChI=1S/C23H23N7O2/c1-29
    -14-26-20-17(3-2-4-19(20)
    29)18-13-25-23(21(28-18)2
    2(24)31)27-15-5-7-16(8-6-
    15)30-9-11-32-12-10-30/h2
    -8,13-14H,9-12H2,1H3,(H2,
    24,31)(H,25,27);
    AFUGKASDRSHPJZ-UHFFFAOYSA-N    		 Cn1cnc2c1cccc2c3cnc(Nc4ccc(cc4)N5CCOCC5)
    c(n3)C(N)=O; Cn1cnc2c1cccc2c3cnc(c(n3)C(
    =O)N)Nc4ccc(cc4)N5CCOCC5    		 6-(1-methylbenzimidazol-4-yl)-3-[(4-morpholin-4-ylphenyl)amino]pyrazine-2-carboxamide
    13718
    A1ITF    		 1 C20 H23 F N6 O2 InChI=1S/C20H23FN6O2/c1-2
    9-17-7-14(10-27(12-17)19(
    28)13-6-16(8-22)24-9-13)1
    8-2-4-23-20(25-18)26-5-3-
    15(21)11-26/h2,4,6,9,14-1
    5,17,24H,3,5,7,10-12H2,1H
    3/t14-,15+,17+/m0/s1;
    OVZHFGJRKASRRF-ZMSDIMECSA-N    		 CO[C@@H]1C[C@@H](CN(C1)C(=O)c2c[nH]c(c2)
    C#N)c3ccnc(n3)N4CC[C@@H](F)C4; CO[CH]1C[
    CH](CN(C1)C(=O)c2c[nH]c(c2)C#N)c3ccnc(n3
    )N4CC[CH](F)C4; COC1CC(CN(C1)C(=O)c2cc([
    nH]c2)C#N)c3ccnc(n3)N4CCC(C4)F; CO[C@@H]
    1C[C@@H](CN(C1)C(=O)c2cc([nH]c2)C#N)c3cc
    nc(n3)N4CC[C@H](C4)F    		 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile
    13719
    A1ITI    		 2 C25 H29 Br N4 O2 S InChI=1S/C25H29BrN4O2S/c1
    -3-17-13-19(26)6-5-18(17)
    16-30-11-10-29(9-7-22(30)
    24(31)28-4-2)25(32)21-14-
    27-15-23-20(21)8-12-33-23
    /h5-6,8,12-15,22H,3-4,7,9
    -11,16H2,1-2H3,(H,28,31)/
    t22-/m1/s1;
    XJUPLZSRHVEZGN-JOCHJYFZSA-N    		 CCc1cc(ccc1CN2CCN(CCC2C(=O)NCC)C(=O)c3cn
    cc4c3ccs4)Br; CCNC(=O)[C@H]1CCN(CCN1Cc2c
    cc(Br)cc2CC)C(=O)c3cncc4sccc34; CCc1cc(c
    cc1CN2CCN(CC[C@@H]2C(=O)NCC)C(=O)c3cncc4
    c3ccs4)Br; CCNC(=O)[CH]1CCN(CCN1Cc2ccc(B
    r)cc2CC)C(=O)c3cncc4sccc34    		 (5~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-~{N}-ethyl-1-thieno[2,3-c]pyridin-4-ylcarbonyl-1,4-diazepane-5-carboxamide
    13720
    A1ITO    		 1 C16 H12 Cl N O2 InChI=1S/C16H12ClNO2/c17-
    10-4-3-5-11(8-10)18-16(20
    )14-9-15(19)13-7-2-1-6-12
    (13)14/h1-8,14H,9H2,(H,18
    ,20)/t14-/m1/s1;
    RFLUKYBYMRHLOS-CQSZACIVSA-N    		 c1ccc2c(c1)C(CC2=O)C(=O)Nc3cccc(c3)Cl; C
    lc1cccc(NC(=O)[C@@H]2CC(=O)c3ccccc23)c1;
    Clc1cccc(NC(=O)[CH]2CC(=O)c3ccccc23)c1;
    c1ccc2c(c1)[C@@H](CC2=O)C(=O)Nc3cccc(c3
    )Cl    		 (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide;
    (1R)-N-(3-chlorophenyl)-3-oxo-indane-1-carboxamide
    13721
    A1ITP    		 2 C26 H21 Cl N2 O3 InChI=1S/C26H21ClN2O3/c27
    -17-5-3-6-20(15-17)29(19-
    12-10-18(11-13-19)28-14-4
    -9-25(28)31)26(32)23-16-2
    4(30)22-8-2-1-7-21(22)23/
    h1-3,5-8,10-13,15,23H,4,9
    ,14,16H2/t23-/m1/s1;
    QHXYLNDXNZHBPZ-HSZRJFAPSA-N    		 Clc1cccc(c1)N(C(=O)[CH]2CC(=O)c3ccccc23)
    c4ccc(cc4)N5CCCC5=O; Clc1cccc(c1)N(C(=O)
    [C@@H]2CC(=O)c3ccccc23)c4ccc(cc4)N5CCCC5
    =O; c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)
    N4CCCC4=O)c5cccc(c5)Cl; c1ccc2c(c1)[C@@H
    ](CC2=O)C(=O)N(c3ccc(cc3)N4CCCC4=O)c5ccc
    c(c5)Cl    		 (1~{R})-~{N}-(3-chlorophenyl)-3-oxidanylidene-~{N}-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,2-dihydroindene-1-carboxamide;
    (1R)-N-(3-chlorophenyl)-3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]indane-1-carboxamide
    13722
    A1ITV    		 1 C26 H18 Cl N3 O4 InChI=1S/C26H18ClN3O4/c27
    -16-4-3-5-18(12-16)30(25(
    33)21-13-23(31)20-7-2-1-6
    -19(20)21)17-10-8-15(9-11
    -17)22-14-28-26(34)29-24(
    22)32/h1-12,14,21H,13H2,(
    H2,28,29,32,34)/t21-/m1/s
    1;
    WUIFAQSQLPAHRA-OAQYLSRUSA-N    		 c1ccc2c(c1)C(CC2=O)C(=O)N(c3ccc(cc3)C4=C
    NC(=O)NC4=O)c5cccc(c5)Cl; c1ccc2c(c1)[C@
    @H](CC2=O)C(=O)N(c3ccc(cc3)C4=CNC(=O)NC4
    =O)c5cccc(c5)Cl; Clc1cccc(c1)N(C(=O)[CH]
    2CC(=O)c3ccccc23)c4ccc(cc4)C5=CNC(=O)NC5
    =O; Clc1cccc(c1)N(C(=O)[C@@H]2CC(=O)c3cc
    ccc23)c4ccc(cc4)C5=CNC(=O)NC5=O    		 (1~{R})-~{N}-[4-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]phenyl]-~{N}-(3-chlorophenyl)-3-oxidanylidene-1,2-dihydroindene-1-carboxamide;
    (1R)-N-(3-chlorophenyl)-N-[4-(2,4-dioxo-1H-pyrimidin-5-yl)phenyl]-3-oxo-indane-1-carboxamide
    13723
    A1ITW    		 1 C21 H21 N O2 InChI=1S/C21H21NO2/c23-20
    -13-19(17-10-4-5-11-18(17
    )20)21(24)22-12-6-9-16(14
    -22)15-7-2-1-3-8-15/h1-5,
    7-8,10-11,16,19H,6,9,12-1
    4H2/t16-,19-/m0/s1;
    SIVSQHBZCSYPQG-LPHOPBHVSA-N    		 c1ccc(cc1)C2CCCN(C2)C(=O)C3CC(=O)c4c3ccc
    c4; O=C1C[CH](C(=O)N2CCC[CH](C2)c3ccccc3
    )c4ccccc14; O=C1C[C@H](C(=O)N2CCC[C@@H](
    C2)c3ccccc3)c4ccccc14; c1ccc(cc1)[C@H]2C
    CCN(C2)C(=O)[C@H]3CC(=O)c4c3cccc4    		 (3~{S})-3-[(3~{R})-3-phenylpiperidin-1-yl]carbonyl-2,3-dihydroinden-1-one;
    (3S)-3-[(3R)-3-phenylpiperidine-1-carbonyl]indan-1-one
    13724
    A1IU4    		 0 C11 H8 N2 O5 InChI=1S/C11H8N2O5/c14-8-
    4-7(10(15)16)12-9-5(8)2-1
    -3-6(9)13-11(17)18/h1-4,1
    3H,(H,12,14)(H,15,16)(H,1
    7,18);
    TZFHATGCWAKOOM-UHFFFAOYSA-N    		 c1cc2c(cc(nc2c(c1)NC(=O)O)C(=O)O)O; OC(=
    O)Nc1cccc2c(O)cc(nc12)C(O)=O    		 8-(carboxyamino)-4-oxidanyl-quinoline-2-carboxylic acid
    13725
    A1IU7    		 1 C16 H15 N3 O InChI=1S/C16H15N3O/c1-2-1
    5(20)19-14-6-4-3-5-13(14)
    12-9-11-7-8-17-16(11)18-1
    0-12/h3-10H,2H2,1H3,(H,17
    ,18)(H,19,20);
    ZSLQYIORPJSVTD-UHFFFAOYSA-N    		 CCC(=O)Nc1ccccc1c2cc3cc[nH]c3nc2; CCC(=O
    )Nc1ccccc1c2cnc3[nH]ccc3c2    		 ~{N}-[2-(1~{H}-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propanamide
    13726
    A1IU9    		 1 C28 H28 N4 O6 InChI=1S/C28H28N4O6/c1-38
    -25-12-9-19(15-30-25)18-7
    -8-20-16-32(27(35)21(20)1
    4-18)23(13-17-5-3-2-4-6-1
    7)26(34)31-22(28(36)37)10
    -11-24(29)33/h2-9,12,14-1
    5,22-23H,10-11,13,16H2,1H
    3,(H2,29,33)(H,31,34)(H,3
    6,37)/t22-,23-/m0/s1;
    CGCOMGPOOJVYAL-GOTSBHOMSA-N    		 COc1ccc(cn1)c2ccc3c(c2)C(=O)N(C3)[C@@H](
    Cc4ccccc4)C(=O)N[C@@H](CCC(=O)N)C(=O)O;
    COc1ccc(cn1)c2ccc3CN([CH](Cc4ccccc4)C(=O
    )N[CH](CCC(N)=O)C(O)=O)C(=O)c3c2; COc1cc
    c(cn1)c2ccc3CN([C@@H](Cc4ccccc4)C(=O)N[C
    @@H](CCC(N)=O)C(O)=O)C(=O)c3c2; COc1ccc(
    cn1)c2ccc3c(c2)C(=O)N(C3)C(Cc4ccccc4)C(=
    O)NC(CCC(=O)N)C(=O)O    		 ((S)-2-(6-(6-methoxypyridin-3-yl)-1-oxoisoindolin-2-yl)-3-phenylpropanoyl)-L-glutamine;
    (2~{S})-5-azanyl-2-[[(2~{S})-2-[5-(6-methoxypyridin-3-yl)-3-oxidanylidene-1~{H}-isoindol-2-yl]-3-phenyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid
    13727
    A1IUK    		 2 C23 H19 F4 N7 O InChI=1S/C23H19F4N7O/c1-3
    -21(35)32-9-18-19(10-32)3
    3(20-4-5-28-11-29-20)22(3
    1-18)14-6-13(16(24)7-17(1
    4)25)15-8-30-34(12(15)2)2
    3(26)27/h4-8,11,23H,3,9-1
    0H2,1-2H3;
    CSKGLPHEWSYGAQ-UHFFFAOYSA-N    		 CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4cnn
    (c4C)C(F)F)c5ccncn5)C1; CCC(=O)N1Cc2nc(n
    (c3ccncn3)c2C1)c4cc(c(F)cc4F)c5cnn(C(F)F
    )c5C    		 1-[2-[5-[1-[bis(fluoranyl)methyl]-5-methyl-pyrazol-4-yl]-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
    13728
    A1IVK    		 2 C23 H28 Br Cl N4 O2 InChI=1S/C23H28BrClN4O2/c
    1-3-16-10-19(24)7-6-17(16
    )14-28-8-5-9-29(21(15-28)
    22(30)27-4-2)23(31)18-11-
    20(25)13-26-12-18/h6-7,10
    -13,21H,3-5,8-9,14-15H2,1
    -2H3,(H,27,30)/t21-/m1/s1;
    YIKIBEUOQMFPOE-OAQYLSRUSA-N    		 CCc1cc(ccc1CN2CCCN(C(C2)C(=O)NCC)C(=O)c3
    cc(cnc3)Cl)Br; CCc1cc(ccc1CN2CCCN([C@H](
    C2)C(=O)NCC)C(=O)c3cc(cnc3)Cl)Br; CCNC(=
    O)[CH]1CN(CCCN1C(=O)c2cncc(Cl)c2)Cc3ccc(
    Br)cc3CC; CCNC(=O)[C@H]1CN(CCCN1C(=O)c2c
    ncc(Cl)c2)Cc3ccc(Br)cc3CC    		 (2~{R})-4-[(4-bromanyl-2-ethyl-phenyl)methyl]-1-(5-chloranylpyridin-3-yl)carbonyl-~{N}-ethyl-1,4-diazepane-2-carboxamide
    13729
    A1IWR    		 2 C5 H8 N2 O InChI=1S/C5H8N2O/c1-4-2-5
    (3-6)7-8-4/h2H,3,6H2,1H3;
    AZVWIMLQRLKLHH-UHFFFAOYSA-N    		 Cc1onc(CN)c1; Cc1cc(no1)CN (5-methyl-1,2-oxazol-3-yl)methanamine
    13730
    A1IWS    		 1 C3 H5 N3 O InChI=1S/C3H5N3O/c4-2-1-3
    (7)6-5-2/h1H,(H4,4,5,6,7);
    QZBGOTVBHYKUDS-UHFFFAOYSA-N    		 NC1=CC(=O)NN1; C1=C(NNC1=O)N 5-azanyl-1,2-dihydropyrazol-3-one
    13731
    A1IWT    		 1 C3 H7 N3 O InChI=1S/C3H7N3O/c4-2(5)1
    -3(6)7/h1H2,(H3,4,5)(H2,6
    ,7);
    RGXJMLZFKIUGNH-UHFFFAOYSA-N    		 [H]/N=C(\CC(=O)N)/N; NC(=N)CC(N)=O; C(C(
    =N)N)C(=O)N    		 3-azanyl-3-azanylidene-propanamide
    13732
    A1IWU    		 1 C6 H9 N3 InChI=1S/C6H9N3/c7-3-5-1-
    2-6(8)9-4-5/h1-2,4H,3,7H2
    ,(H2,8,9);
    PHBVTMQLXNCAQO-UHFFFAOYSA-N    		 c1cc(ncc1CN)N; NCc1ccc(N)nc1 5-(aminomethyl)pyridin-2-amine
    13733
    A1IWV    		 2 C5 H11 N O InChI=1S/C5H11NO/c7-5-2-1
    -3-6-4-5/h5-7H,1-4H2/t5-/
    m1/s1;
    BIWOSRSKDCZIFM-RXMQYKEDSA-N    		 C1CC(CNC1)O; O[C@@H]1CCCNC1; O[CH]1CCCNC
    1; C1C[C@H](CNC1)O    		 (3~{R})-piperidin-3-ol
    13734
    A1IWW    		 1 C4 H10 N2 O InChI=1S/C4H10N2O/c1-3(2)
    4(5)6-7/h3,7H,1-2H3,(H2,5
    ,6);
    JHRDEHLFNLLCQS-UHFFFAOYSA-N    		 CC(C)C(N)=NO; CC(C)C(=NO)N; CC(C)/C(N)=N
    /O; CC(C)/C(=N/O)/N    		 2-methyl-~{N}'-oxidanyl-propanimidamide
    13735
    A1IY0    		 1 C20 H33 N7 O13 P2 S InChI=1S/C20H33N7O13P2S/c
    1-3-4-26-20(22-2)39-15-13
    (29)10(38-19(15)43-20)6-3
    6-42(33,34)40-41(31,32)35
    -5-9-12(28)14(30)18(37-9)
    27-8-25-11-16(21)23-7-24-
    17(11)27/h7-10,12-15,18-1
    9,22,26,28-30H,3-6H2,1-2H
    3,(H,31,32)(H,33,34)(H2,2
    1,23,24)/t9-,10-,12-,13-,
    14-,15-,18-,19-,20-/m1/s1;
    RTLOVKKJOOOFSD-SUAKPWHCSA-N    		 CCCN[C@]1(NC)O[C@@H]2[C@H](O)[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)O[C@@H]2S1;
    CCCN[C]1(NC)O[CH]2[CH](O)[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)
    n4cnc5c(N)ncnc45)O[CH]2S1; CCCNC1(OC2C(C
    (OC2S1)COP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)n
    4cnc5c4ncnc5N)O)O)O)NC; CCCN[C@@]1(O[C@@
    H]2[C@@H]([C@H](O[C@@H]2S1)COP(=O)(O)OP(
    =O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4c
    nc5c4ncnc5N)O)O)O)NC    		 [[(2~{R},3~{a}~{R},5~{R},6~{R},6~{a}~{R})-2-(methylamino)-6-oxidanyl-2-(propylamino)-3~{a},5,6,6~{a}-tetrahydrofuro[2,3-d][1,3]oxathiol-5-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
    13736
    A1IY6    		 0 C14 H22 N8 O4 Se InChI=1S/C14H22N8O4Se/c15
    -5(11(17)25)1-2-27-3-6-8(
    23)9(24)13(26-6)22-4-19-7
    -10(16)20-14(18)21-12(7)2
    2/h4-6,8-9,13,23-24H,1-3,
    15H2,(H2,17,25)(H4,16,18,
    20,21)/t5-,6+,8+,9+,13+/m
    0/s1;
    MSXIHLRPNLBPQD-YTMOPEAISA-N    		 c1nc2c(nc(nc2n1[C@H]3[C@@H]([C@@H]([C@H]
    (O3)C[Se]CC[C@@H](C(=O)N)N)O)O)N)N; N[CH
    ](CC[Se]C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3
    c(N)nc(N)nc23)C(N)=O; c1nc2c(nc(nc2n1C3C
    (C(C(O3)C[Se]CCC(C(=O)N)N)O)O)N)N; N[C@@
    H](CC[Se]C[C@H]1O[C@H]([C@H](O)[C@@H]1O)
    n2cnc3c(N)nc(N)nc23)C(N)=O    		 Se-2,6-diaminopurinribosyl-selenohomocysteineamide;
    (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[2,6-bis(azanyl)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylselanyl]butanamide;
    SeDHA
    13737
    A1IYK    		 0 C18 H18 Cl N3 O2 InChI=1S/C18H18ClN3O2/c1-
    11-6-7-12(10-13(11)17(20)
    23)21-15-8-9-22(18(15)24)
    16-5-3-2-4-14(16)19/h2-7,
    10,15,21H,8-9H2,1H3,(H2,2
    0,23)/t15-/m0/s1;
    QGUKHHBQJVYLMV-HNNXBMFYSA-N    		 Cc1ccc(cc1C(=O)N)NC2CCN(C2=O)c3ccccc3Cl;
    Cc1ccc(cc1C(=O)N)N[C@H]2CCN(C2=O)c3cccc
    c3Cl; Cc1ccc(N[CH]2CCN(C2=O)c3ccccc3Cl)c
    c1C(N)=O; Cc1ccc(N[C@H]2CCN(C2=O)c3ccccc
    3Cl)cc1C(N)=O    		 5-[[(3S)-1-(2-chlorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-2-methyl-benzamide;
    5-{[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino}-2-methylbenzamide
    13738
    A1IZ7    		 2 C23 H18 Cl F N6 O2 InChI=1S/C23H18ClFN6O2/c1
    -2-21(32)30-11-17-18(12-3
    0)31(20-8-9-26-13-27-20)2
    2(28-17)14-4-3-5-15(10-14
    )33-23-16(24)6-7-19(25)29
    -23/h3-10,13H,2,11-12H2,1
    H3;
    VLZBIJTVQUIFKO-UHFFFAOYSA-N    		 CCC(=O)N1Cc2c(n(c(n2)c3cccc(c3)Oc4c(ccc(
    n4)F)Cl)c5ccncn5)C1; CCC(=O)N1Cc2nc(n(c2
    C1)c3ccncn3)c4cccc(Oc5nc(F)ccc5Cl)c4    		 1-[2-[3-(3-chloranyl-6-fluoranyl-pyridin-2-yl)oxyphenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
    13739
    A1IZ8    		 2 C25 H18 F2 N6 O2 InChI=1S/C25H18F2N6O2/c1-
    2-23(34)32-10-19-20(11-32
    )33(22-6-7-28-12-29-22)25
    (31-19)16-8-15(17(26)9-18
    (16)27)14-4-3-5-21-24(14)
    30-13-35-21/h3-9,12-13H,2
    ,10-11H2,1H3;
    ZGOQCOSBGSMYAX-UHFFFAOYSA-N    		 CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cc3F)F)c4ccc
    c5c4nco5)c6ccncn6)C1; CCC(=O)N1Cc2nc(n(c
    2C1)c3ccncn3)c4cc(c(F)cc4F)c5cccc6ocnc56    		 1-[2-[5-(1,3-benzoxazol-4-yl)-2,4-bis(fluoranyl)phenyl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
    13740
    A1IZ9    		 2 C23 H18 F2 N6 O InChI=1S/C23H18F2N6O/c1-2
    -22(32)30-11-19-20(12-30)
    31(21-7-8-26-13-28-21)23(
    29-19)18-9-15(17(25)10-27
    -18)14-5-3-4-6-16(14)24/h
    3-10,13H,2,11-12H2,1H3;
    PGZOHCVGSDIBJR-UHFFFAOYSA-N    		 CCC(=O)N1Cc2c(n(c(n2)c3cc(c(cn3)F)c4cccc
    c4F)c5ccncn5)C1; CCC(=O)N1Cc2nc(n(c2C1)c
    3ccncn3)c4cc(c(F)cn4)c5ccccc5F    		 1-[2-[5-fluoranyl-4-(2-fluorophenyl)pyridin-2-yl]-3-pyrimidin-4-yl-4,6-dihydropyrrolo[3,4-d]imidazol-5-yl]propan-1-one
    13741
    A1J    		 4 C9 H13 B N O9 P S InChI=1S/C9H13BNO9PS/c12-
    9(13)8-3-1-2-7(4-8)5-22(1
    8,19)11-6-10(14)20-21(15,
    16)17/h1-4,11,14H,5-6H2,(
    H,12,13)(H2,15,16,17);
    SEUMVDPBYULKQH-UHFFFAOYSA-N    		 B(CNS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)OP(=O)
    (O)O; OB(CN[S](=O)(=O)Cc1cccc(c1)C(O)=O)
    O[P](O)(O)=O; c1ccc(CS(=O)(NCB(OP(O)(O)=
    O)O)=O)cc1C(O)=O    		 3-(5,7,7-trihydroxy-2,2,7-trioxo-6-oxa-2lambda~6~-thia-3-aza-7lambda~5~-phospha-5-boraheptan-1-yl)benzoic acid
    13742
    A1K
    CHEMBL4540808
    ZINC000253387881    		 1 C19 H21 Cl N6 O3 InChI=1S/C19H21ClN6O3/c1-
    21-16-15-12(20)10-22-17(1
    5)25-19(24-16)23-13-4-3-1
    1(9-14(13)28-2)18(27)26-5
    -7-29-8-6-26/h3-4,9-10H,5
    -8H2,1-2H3,(H3,21,22,23,2
    4,25);
    HUEKBQXFNHWTQQ-UHFFFAOYSA-N    		 CNc1c2c(c[nH]c2nc(n1)Nc3ccc(cc3OC)C(=O)N
    4CCOCC4)Cl; CNc1nc(Nc2ccc(cc2OC)C(=O)N3C
    COCC3)nc4[nH]cc(Cl)c14    		 [4-[[5-chloranyl-4-(methylamino)-7~{H}-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxy-phenyl]-morpholin-4-yl-methanone
    13743
    A1L
    CHEMBL4754642
    ZINC000140068785    		 3 C24 H31 N9 O3 InChI=1S/C24H31N9O3/c1-27
    -24(36)31-23(25)28-14-8-1
    3-20(30-21(34)15-29-32-26
    )22(35)33(16-18-9-4-2-5-1
    0-18)17-19-11-6-3-7-12-19
    /h2-7,9-12,20H,8,13-17H2,
    1H3,(H,30,34)(H4,25,27,28
    ,31,36)/t20-/m0/s1;
    WCLXSHAWFUUDKF-FQEVSTJZSA-N    		 CNC(=O)NC(=N)NCCCC(C(=O)N(Cc1ccccc1)Cc2c
    cccc2)NC(=O)C[N-][N+]#N; [H]/N=C(\NCCC[C
    @@H](C(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)C[
    N-][N+]#N)/NC(=O)NC; CNC(=O)NC(=N)NCCC[C
    @H](NC(=O)C[N-][N+]#N)C(=O)N(Cc1ccccc1)C
    c2ccccc2; CNC(=O)NC(=N)NCCC[CH](NC(=O)C[
    N-][N+]#N)C(=O)N(Cc1ccccc1)Cc2ccccc2; N#
    [N+][N-]CC(=O)NC(C(=O)N(Cc1ccccc1)Cc2ccc
    cc2)CCCNC(=[N@H])NC(=O)NC    		 [2-[[(2S)-1-[bis(phenylmethyl)amino]-5-[[N-(methylcarbamoyl)carbamimidoyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-2-oxidanylidene-ethyl]-diazonio-azanide
    13744
    A1L01    		 4 C24 H46 O4 InChI=1S/C24H46O4/c1-3-5-
    7-9-11-12-14-15-17-19-22(
    21-23(25)26)28-24(27)20-1
    8-16-13-10-8-6-4-2/h22H,3
    -21H2,1-2H3,(H,25,26)/t22
    -/m0/s1;
    WLNJGOIHOQOCJP-QFIPXVFZSA-N    		 CCCCCCCCCCC[C@@H](CC(=O)O)OC(=O)CCCCCCCC
    C; CCCCCCCCCCC[CH](CC(O)=O)OC(=O)CCCCCCC
    CC; CCCCCCCCCCCC(CC(=O)O)OC(=O)CCCCCCCCC
    ; CCCCCCCCCCC[C@@H](CC(O)=O)OC(=O)CCCCCC
    CCC    		 (3~{S})-3-decanoyloxytetradecanoic acid
    13745
    A1L04    		 4 C16 H9 Cl F3 N O3 InChI=1S/C16H9ClF3NO3/c17
    -9-3-1-8(2-4-9)13-14(24-2
    1-15(13)16(18,19)20)11-6-
    5-10(22)7-12(11)23/h1-7,2
    2-23H;
    BYNUBBWBGHJHNP-UHFFFAOYSA-N    		 Oc1ccc(c(O)c1)c2onc(c2c3ccc(Cl)cc3)C(F)(
    F)F; c1cc(ccc1c2c(onc2C(F)(F)F)c3ccc(cc3
    O)O)Cl    		 4-[4-(4-chlorophenyl)-3-(trifluoromethyl)-1,2-oxazol-5-yl]benzene-1,3-diol
    13746
    A1L07    		 2 C30 H42 N4 O4 InChI=1S/C30H42N4O4/c1-6-
    7-8-23(33-29(37)27-19(2)2
    6-24(32-27)17-30(3,4)18-2
    5(26)35)28(36)31-20-9-11-
    21(12-10-20)38-22-13-15-3
    4(5)16-14-22/h9-12,22-23,
    32H,6-8,13-18H2,1-5H3,(H,
    31,36)(H,33,37)/t23-/m0/s
    1;
    SANTZUMQHHSQMN-QHCPKHFHSA-N    		 CCCCC(C(=O)Nc1ccc(cc1)OC2CCN(CC2)C)NC(=O
    )c3c(c4c([nH]3)CC(CC4=O)(C)C)C; CCCC[C@H
    ](NC(=O)c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O
    )Nc3ccc(OC4CCN(C)CC4)cc3; CCCC[CH](NC(=O
    )c1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)Nc3ccc
    (OC4CCN(C)CC4)cc3; CCCC[C@@H](C(=O)Nc1cc
    c(cc1)OC2CCN(CC2)C)NC(=O)c3c(c4c([nH]3)C
    C(CC4=O)(C)C)C    		 3,6,6-trimethyl-~{N}-[(2~{S})-1-[[4-(1-methylpiperidin-4-yl)oxyphenyl]amino]-1-oxidanylidene-hexan-2-yl]-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
    13747
    A1L08    		 2 C25 H33 N3 O3 InChI=1S/C25H33N3O3/c1-5-
    6-12-18(23(30)26-15-17-10
    -8-7-9-11-17)28-24(31)22-
    16(2)21-19(27-22)13-25(3,
    4)14-20(21)29/h7-11,18,27
    H,5-6,12-15H2,1-4H3,(H,26
    ,30)(H,28,31)/t18-/m0/s1;
    FKYWIFNZDJPACP-SFHVURJKSA-N    		 CCCCC(C(=O)NCc1ccccc1)NC(=O)c2c(c3c([nH]
    2)CC(CC3=O)(C)C)C; CCCC[CH](NC(=O)c1[nH]
    c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccccc3; C
    CCC[C@@H](C(=O)NCc1ccccc1)NC(=O)c2c(c3c(
    [nH]2)CC(CC3=O)(C)C)C; CCCC[C@H](NC(=O)c
    1[nH]c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3cccc
    c3    		 3,6,6-trimethyl-4-oxidanylidene-~{N}-[(2~{S})-1-oxidanylidene-1-[(phenylmethyl)amino]hexan-2-yl]-5,7-dihydro-1~{H}-indole-2-carboxamide
    13748
    A1L09    		 2 C28 H40 N4 O3 InChI=1S/C28H40N4O3/c1-7-
    8-9-21(26(34)29-16-19-10-
    12-20(13-11-19)17-32(5)6)
    31-27(35)25-18(2)24-22(30
    -25)14-28(3,4)15-23(24)33
    /h10-13,21,30H,7-9,14-17H
    2,1-6H3,(H,29,34)(H,31,35
    )/t21-/m0/s1;
    FJJHERPTGMLTTQ-NRFANRHFSA-N    		 CCCCC(C(=O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c(
    c3c([nH]2)CC(CC3=O)(C)C)C; CCCC[C@@H](C(
    =O)NCc1ccc(cc1)CN(C)C)NC(=O)c2c(c3c([nH]
    2)CC(CC3=O)(C)C)C; CCCC[CH](NC(=O)c1[nH]
    c2CC(C)(C)CC(=O)c2c1C)C(=O)NCc3ccc(CN(C)
    C)cc3; CCCC[C@H](NC(=O)c1[nH]c2CC(C)(C)C
    C(=O)c2c1C)C(=O)NCc3ccc(CN(C)C)cc3    		 ~{N}-[(2~{S})-1-[[4-[(dimethylamino)methyl]phenyl]methylamino]-1-oxidanylidene-hexan-2-yl]-3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-1~{H}-indole-2-carboxamide
    13749
    A1L0C    		 8 C14 H25 B N4 O3 InChI=1S/C14H25BN4O3/c1-1
    0(2)8-13(15(21)22)16-14(2
    0)12-9-19(18-17-12)11-6-4
    -3-5-7-11/h9-11,13,21-22H
    ,3-8H2,1-2H3,(H,16,20)/t1
    3-/m0/s1;
    CZNHJEDLONNLAH-ZDUSSCGKSA-N    		 CC(C)C[C@H](NC(=O)c1cn(nn1)C2CCCCC2)B(O)
    O; B(C(CC(C)C)NC(=O)c1cn(nn1)C2CCCCC2)(O
    )O; CC(C)C[CH](NC(=O)c1cn(nn1)C2CCCCC2)B
    (O)O; B([C@H](CC(C)C)NC(=O)c1cn(nn1)C2CC
    CCC2)(O)O    		 [(1R)-1-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]-3-methyl-butyl]boronic acid
    13750
    A1L0D    		 13 C16 H27 B N4 O3 InChI=1S/C16H27BN4O3/c22-
    16(18-15(17(23)24)12-7-3-
    1-4-8-12)14-11-21(20-19-1
    4)13-9-5-2-6-10-13/h11-13
    ,15,23-24H,1-10H2,(H,18,2
    2)/t15-/m0/s1;
    SSGADSLNPZAYBK-HNNXBMFYSA-N    		 OB(O)[C@@H](NC(=O)c1cn(nn1)C2CCCCC2)C3CC
    CCC3; B([C@H](C1CCCCC1)NC(=O)c2cn(nn2)C3
    CCCCC3)(O)O; OB(O)[CH](NC(=O)c1cn(nn1)C2
    CCCCC2)C3CCCCC3; B(C(C1CCCCC1)NC(=O)c2cn
    (nn2)C3CCCCC3)(O)O    		 [(~{R})-cyclohexyl-[(1-cyclohexyl-1,2,3-triazol-4-yl)carbonylamino]methyl]boronic acid
    13751
    A1L0G    		 1 C20 H22 N8 O7 S InChI=1S/C20H22N8O7S/c21-
    6-10-2-1-3-11(4-10)12(22)
    5-14(29)27-36(32,33)34-7-
    13-16(30)17(31)20(35-13)2
    8-9-26-15-18(23)24-8-25-1
    9(15)28/h1-4,8-9,12-13,16
    -17,20,30-31H,5,7,22H2,(H
    ,27,29)(H2,23,24,25)/t12-
    ,13+,16+,17+,20+/m0/s1;
    ZPOUQXSYNILZLP-JDLZUTDUSA-N    		 c1cc(cc(c1)[C@H](CC(=O)NS(=O)(=O)OC[C@@H
    ]2[C@H]([C@H]([C@@H](O2)n3cnc4c3ncnc4N)O
    )O)N)C#N; N[CH](CC(=O)N[S](=O)(=O)OC[CH]
    1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)c4
    cccc(c4)C#N; N[C@@H](CC(=O)N[S](=O)(=O)O
    C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N
    )ncnc23)c4cccc(c4)C#N; c1cc(cc(c1)C(CC(=
    O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)
    O)O)N)C#N    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(3-cyanophenyl)propanoyl]sulfamate
    13752
    A1L0H    		 1 C19 H22 Br N7 O7 S InChI=1S/C19H22BrN7O7S/c2
    0-10-4-2-1-3-9(10)11(21)5
    -13(28)26-35(31,32)33-6-1
    2-15(29)16(30)19(34-12)27
    -8-25-14-17(22)23-7-24-18
    (14)27/h1-4,7-8,11-12,15-
    16,19,29-30H,5-6,21H2,(H,
    26,28)(H2,22,23,24)/t11-,
    12+,15+,16+,19+/m0/s1;
    GOEQSWCMWTVHGV-NSDPQSHHSA-N    		 c1ccc(c(c1)C(CC(=O)NS(=O)(=O)OCC2C(C(C(O
    2)n3cnc4c3ncnc4N)O)O)N)Br; N[CH](CC(=O)N
    [S](=O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O)n2
    cnc3c(N)ncnc23)c4ccccc4Br; c1ccc(c(c1)[C
    @H](CC(=O)NS(=O)(=O)OC[C@@H]2[C@H]([C@H]
    ([C@@H](O2)n3cnc4c3ncnc4N)O)O)N)Br; N[C@
    @H](CC(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C@
    H](O)[C@@H]1O)n2cnc3c(N)ncnc23)c4ccccc4B
    r    		 [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(3~{S})-3-azanyl-3-(2-bromophenyl)propanoyl]sulfamate
    13753
    A1L0L    		 2 C10 H13 O6 P InChI=1S/C10H13O6P/c1-15-
    10(12)8-2-4-9(5-3-8)17(13
    ,14)16-7-6-11/h2-5,11H,6-
    7H2,1H3,(H,13,14);
    AQWCOZWQBGLFLN-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)P(=O)(O)OCCO; COC(=O)c1
    ccc(cc1)[P](O)(=O)OCCO    		 2-hydroxyethyloxy-(4-methoxycarbonylphenyl)phosphinic acid
    13754
    A1L0M    		 2 C17 H19 O6 P InChI=1S/C17H19O6P/c1-21-
    17(18)15-7-9-16(10-8-15)2
    4(19,20)23-12-11-22-13-14
    -5-3-2-4-6-14/h2-10H,11-1
    3H2,1H3,(H,19,20);
    XPCSDQWUXIAMMN-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)P(=O)(O)OCCOCc2ccccc2;
    COC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2    		 (4-methoxycarbonylphenyl)-(2-phenylmethoxyethoxy)phosphinic acid
    13755
    A1L0N    		 2 C9 H11 O6 P InChI=1S/C9H11O6P/c10-5-6
    -15-16(13,14)8-3-1-7(2-4-
    8)9(11)12/h1-4,10H,5-6H2,
    (H,11,12)(H,13,14);
    PTVSEGAIJIELFJ-UHFFFAOYSA-N    		 OCCO[P](O)(=O)c1ccc(cc1)C(O)=O; c1cc(ccc
    1C(=O)O)P(=O)(O)OCCO    		 4-[2-hydroxyethyloxy(oxidanyl)phosphoryl]benzoic acid
    13756
    A1L0O    		 3 C16 H17 O6 P InChI=1S/C16H17O6P/c17-16
    (18)14-6-8-15(9-7-14)23(1
    9,20)22-11-10-21-12-13-4-
    2-1-3-5-13/h1-9H,10-12H2,
    (H,17,18)(H,19,20);
    YNAKBZQLAJKZSN-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1)[P](O)(=O)OCCOCc2ccccc2;
    c1ccc(cc1)COCCOP(=O)(c2ccc(cc2)C(=O)O)O    		 4-[oxidanyl(2-phenylmethoxyethoxy)phosphoryl]benzoic acid
    13757
    A1L0S    		 24 C41 H58 O InChI=1S/C41H58O/c1-34(2)
    20-14-23-37(5)26-17-29-38
    (6)27-15-24-35(3)21-12-13
    -22-36(4)25-16-28-39(7)30
    -18-31-40(8)32-19-33-41(9
    ,10)42-11/h12-13,15-22,24
    -32H,14,23,33H2,1-11H3/b1
    3-12+,24-15+,25-16+,29-17
    +,30-18+,32-19+,35-21+,36
    -22+,37-26+,38-27+,39-28+
    ,40-31+;
    OCDSWQXGIQUZCF-AGVJHCIFSA-N    		 CC(=CCCC(=CC=CC(=CC=CC(=CC=CC=C(C)C=CC=C
    (C)C=CC=C(C)C=CCC(C)(C)OC)C)C)C)C; CC(=C
    CC/C(=C/C=C/C(=C/C=C/C(=C/C=C/C=C(\C)/C=
    C/C=C(\C)/C=C/C=C(\C)/C=C/CC(C)(C)OC)/C)
    /C)/C)C; COC(C)(C)CC=CC(C)=CC=CC(C)=CC=C
    C(C)=CC=CC=C(C)C=CC=C(C)C=CC=C(C)CCC=C(C
    )C; COC(C)(C)C/C=C/C(C)=C/C=C/C(C)=C/C=C
    /C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C=C(C)
    /CCC=C(C)C    		 Anhydrorhodovibrin ;
    (6~{E},8~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene
    13758
    A1L0T    		 0 C4 H11 O3 P InChI=1S/C4H11O3P/c1-4(2)
    3-8(5,6)7/h4H,3H2,1-2H3,(
    H2,5,6,7);
    HAEFDDOAYBQRGK-UHFFFAOYSA-N    		 CC(C)CP(=O)(O)O; CC(C)C[P](O)(O)=O 2-methylpropylphosphonic acid
    13759
    A1L0Y    		 7 C34 H30 F N3 O4 InChI=1S/C34H30FN3O4/c1-1
    9-13-23(35)14-20(2)30(19)
    41-28-12-11-22(34(3,4)40)
    15-24(28)26-18-38(5)33(39
    )25-16-29(42-31(25)26)27-
    17-36-32(37-27)21-9-7-6-8
    -10-21/h6-18,40H,1-5H3,(H
    ,36,37);
    VUSLJIDUEUBGQH-UHFFFAOYSA-N    		 Cc1cc(cc(c1Oc2ccc(cc2C3=CN(C(=O)c4c3oc(c
    4)c5cnc([nH]5)c6ccccc6)C)C(C)(C)O)C)F; C
    N1C=C(c2oc(cc2C1=O)c3[nH]c(nc3)c4ccccc4)
    c5cc(ccc5Oc6c(C)cc(F)cc6C)C(C)(C)O    		 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one
    13760
    A1L10    		 1 C27 H36 F N3 O2 InChI=1S/C27H36FN3O2/c1-2
    0(2)18-33-24-10-6-21(7-11
    -24)16-29-26(32)31(17-22-
    4-8-23(28)9-5-22)25-12-15
    -30(3)19-27(25)13-14-27/h
    4-11,20,25H,12-19H2,1-3H3
    ,(H,29,32);
    KQRKHYJZSCKWTF-UHFFFAOYSA-N    		 CC(C)COc1ccc(cc1)CNC(=O)N(Cc2ccc(cc2)F)C
    3CCN(CC34CC4)C; CC(C)COc1ccc(CNC(=O)N(Cc
    2ccc(F)cc2)[C@H]3CCN(C)CC34CC4)cc1; CC(C
    )COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)[CH]3CCN(
    C)CC34CC4)cc1; CC(C)COc1ccc(cc1)CNC(=O)N
    (Cc2ccc(cc2)F)[C@H]3CCN(CC34CC4)C    		 1-[(4-fluorophenyl)methyl]-1-[(8~{S})-5-methyl-5-azaspiro[2.5]octan-8-yl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
    13761
    A1L11    		 2 C25 H34 F N3 O2 InChI=1S/C25H34FN3O2/c1-1
    9(2)18-31-24-10-6-20(7-11
    -24)16-27-25(30)29(23-12-
    14-28(3)15-13-23)17-21-4-
    8-22(26)9-5-21/h4-11,19,2
    3H,12-18H2,1-3H3,(H,27,30
    );
    RKEWSXXUOLRFBX-UHFFFAOYSA-N    		 CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C3CCN
    (C)CC3)cc1; CC(C)COc1ccc(cc1)CNC(=O)N(Cc
    2ccc(cc2)F)C3CCN(CC3)C    		 Pimavanserin;
    1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
    13762
    A1L12    		 20 C40 H44 F N3 O4 InChI=1S/C40H44FN3O4/c1-7
    -31-34(43-38(42-31)40-17-
    23-12-24(18-40)14-25(13-2
    3)19-40)33-16-29-36(48-33
    )30(20-44(6)37(29)45)28-1
    5-26(39(4,5)46)8-9-32(28)
    47-35-21(2)10-27(41)11-22
    (35)3/h8-11,15-16,20,23-2
    5,46H,7,12-14,17-19H2,1-6
    H3,(H,42,43)/t23-,24-,25-
    ,40-;
    HZYKAGKNCZZUQL-PLKAPHTHSA-N    		 CCc1c([nH]c(n1)C23CC4CC(C2)CC(C4)C3)c5cc
    6c(o5)C(=CN(C6=O)C)c7cc(ccc7Oc8c(cc(cc8C
    )F)C)C(C)(C)O; CCc1nc([nH]c1c2oc3c(c2)C(
    =O)N(C)C=C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C
    )(C)O)C67CC8CC(CC(C8)C6)C7    		 2-(2-(adamantan-1-yl)-4-ethyl-1H-imidazol-5-yl)-7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methylfuro[3,2-c]pyridin-4(5H)-one
    13763
    A1L13    		 16 C16 H16 N2 S InChI=1S/C16H16N2S/c1-11-
    4-9-14-15(10-11)19-16(17-
    14)12-5-7-13(8-6-12)18(2)
    3/h4-10H,1-3H3;
    OEOPVJYUCSQVMJ-UHFFFAOYSA-N    		 CN(C)c1ccc(cc1)c2sc3cc(C)ccc3n2; Cc1ccc2
    c(c1)sc(n2)c3ccc(cc3)N(C)C    		 ~{N},~{N}-dimethyl-4-(6-methyl-1,3-benzothiazol-2-yl)aniline
    13764
    A1L15    		 4 C25 H37 N10 O26 P5 InChI=1S/C25H37N10O26P5/c
    26-19-11-21(30-4-28-19)34
    (6-32-11)23-16(39)13(36)8
    (55-23)1-52-63(44,45)60-6
    4(46,47)53-2-9-14(37)17(4
    0)25(57-9)58-18-15(38)10(
    3-54-65(48,49)61-66(50,51
    )59-62(41,42)43)56-24(18)
    35-7-33-12-20(27)29-5-31-
    22(12)35/h4-10,13-18,23-2
    5,36-40H,1-3H2,(H,44,45)(
    H,46,47)(H,48,49)(H,50,51
    )(H2,26,28,30)(H2,27,29,3
    1)(H2,41,42,43)/t8-,9-,10
    -,13-,14-,15-,16-,17-,18-
    ,23-,24-,25+/m1/s1;
    BLHBPWIRUPJXKW-VIUUMBSUSA-N    		 Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O
    [P](O)(=O)OC[CH]4O[CH](O[CH]5[CH](O)[CH]
    (CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O[C
    H]5n6cnc7c(N)ncnc67)[CH](O)[CH]4O)[CH](O
    )[CH]3O; Nc1ncnc2n(cnc12)[C@@H]3O[C@H](C
    O[P](O)(=O)O[P](O)(=O)OC[C@H]4O[C@@H](O[
    C@@H]5[C@H](O)[C@@H](CO[P](O)(=O)O[P](O)
    (=O)O[P](O)(O)=O)O[C@H]5n6cnc7c(N)ncnc67
    )[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O; c1nc
    (c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O
    )(O)OCC4C(C(C(O4)OC5C(C(OC5n6cnc7c6ncnc7
    N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)O)O)
    O)N; c1nc(c2c(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)O[C@@H]5[C@@H]([C@
    H](O[C@H]5n6cnc7c6ncnc7N)COP(=O)(O)OP(=O
    )(O)OP(=O)(O)O)O)O)O)O)O)N    		 [[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-[(2~{S},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]oxy-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate;
    ADPr-ATP
    13765
    A1L16    		 1 C15 H15 N O InChI=1S/C15H15NO/c1-10(2
    )15(17)12-7-4-3-6-11(12)1
    4-13(15)8-5-9-16-14/h3-10
    ,17H,1-2H3/t15-/m1/s1;
    VQGAKSMYTWYVAJ-OAHLLOKOSA-N    		 CC(C)[C]1(O)c2ccccc2c3ncccc13; CC(C)C1(c
    2ccccc2-c3c1cccn3)O; CC(C)[C@]1(c2ccccc2
    -c3c1cccn3)O; CC(C)[C@@]1(O)c2ccccc2c3nc
    ccc13    		 (5~{R})-5-propan-2-ylindeno[1,2-b]pyridin-5-ol
    13766
    A1L17    		 1 C16 H11 F3 O3 InChI=1S/C16H11F3O3/c1-22
    -14(20)10-6-4-8-12-13(10)
    9-5-2-3-7-11(9)15(12,21)1
    6(17,18)19/h2-8,21H,1H3/t
    15-/m1/s1;
    STXAPIKTOCNBKD-OAHLLOKOSA-N    		 COC(=O)c1cccc2c1-c3ccccc3C2(C(F)(F)F)O;
    COC(=O)c1cccc2c1-c3ccccc3[C@@]2(C(F)(F)F
    )O; COC(=O)c1cccc2c1c3ccccc3[C]2(O)C(F)(
    F)F; COC(=O)c1cccc2c1c3ccccc3[C@]2(O)C(F
    )(F)F    		 methyl (9~{R})-9-oxidanyl-9-(trifluoromethyl)fluorene-4-carboxylate
    13767
    A1L1A    		 2 C41 H74 N7 O17 P3 S InChI=1S/C41H74N7O17P3S/c
    1-26(2)11-8-12-27(3)13-9-
    14-28(4)15-10-16-29(5)21-
    32(50)69-20-19-43-31(49)1
    7-18-44-39(53)36(52)41(6,
    7)23-62-68(59,60)65-67(57
    ,58)61-22-30-35(64-66(54,
    55)56)34(51)40(63-30)48-2
    5-47-33-37(42)45-24-46-38
    (33)48/h24-30,34-36,40,51
    -52H,8-23H2,1-7H3,(H,43,4
    9)(H,44,53)(H,57,58)(H,59
    ,60)(H2,42,45,46)(H2,54,5
    5,56)/t27-,28-,29-,30-,34
    +,35+,36+,40-/m1/s1;
    NRJQGHHZMSOUEN-SOYJUKJHSA-N    		 C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)C
    C(=O)SCCNC(=O)CCNC(=O)[C@@H](C(C)(C)COP(
    =O)(O)OP(=O)(O)OC[C@@H]1[C@@H]([C@@H]([C
    @@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; C
    C(C)CCC[CH](C)CCC[CH](C)CCC[CH](C)CC(=O)
    SCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(
    =O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O
    [P](O)(O)=O)n2cnc3c(N)ncnc23; CC(C)CCCC(
    C)CCCC(C)CCCC(C)CC(=O)SCCNC(=O)CCNC(=O)C
    (C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)
    n2cnc3c2ncnc3N)O)OP(=O)(O)O)O; CC(C)CCC[
    C@@H](C)CCC[C@@H](C)CCC[C@@H](C)CC(=O)SC
    CNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=
    O)O[P](O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@
    H]1O[P](O)(O)=O)n2cnc3c(N)ncnc23    		 phytanoyl-CoA;
    S-[2-[3-[[4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] (3S,7R,11R)-3,7,11,15-tetramethylhexadecanethioate;
    Phytanoyl-coenzyme A
    13768
    A1L1C    		 2 C43 H74 N O8 P InChI=1S/C43H74NO8P/c1-3-
    5-7-9-11-13-15-17-18-19-2
    0-21-22-24-26-28-30-32-34
    -36-43(46)52-41(40-51-53(
    47,48)50-38-37-44)39-49-4
    2(45)35-33-31-29-27-25-23
    -16-14-12-10-8-6-4-2/h5,7
    ,11,13,17-18,20-21,24,26,
    30,32,41H,3-4,6,8-10,12,1
    4-16,19,22-23,25,27-29,31
    ,33-40,44H2,1-2H3,(H,47,4
    8)/b7-5-,13-11-,18-17-,21
    -20-,26-24-,32-30-/t41-/m
    1/s1;
    MPWUZHVZZKSTPV-MADBQMNMSA-N    		 CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)O
    C(=O)CCC=CCC=CCC=CCC=CCC=CCC=CCC; CCCCCC
    CCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)O
    C(=O)CC\C=C/C/C=C\C\C=C/C/C=C\C\C=C/C\C=
    C/CC; CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O
    )(O)OCCN)OC(=O)CC/C=C\C/C=C\C/C=C\C/C=C\
    C/C=C\C/C=C\CC; CCCCCCCCCCCCCCCC(=O)OC[C
    H](CO[P](O)(=O)OCCN)OC(=O)CCC=CCC=CCC=CC
    C=CCC=CCC=CCC    		 [(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (4~{Z},7~{Z},10~{Z},13~{Z},16~{Z},19~{Z})-docosa-4,7,10,13,16,19-hexaenoate
    13769
    A1L1H    		 1 C43 H82 N O8 P InChI=1S/C43H82NO8P/c1-5-
    7-9-11-13-15-17-19-21-23-
    25-27-29-31-33-35-42(45)4
    9-39-41(40-51-53(47,48)50
    -38-37-44(3)4)52-43(46)36
    -34-32-30-28-26-24-22-20-
    18-16-14-12-10-8-6-2/h19-
    22,41H,5-18,23-40H2,1-4H3
    ,(H,47,48)/b21-19-,22-20-
    /t41-/m1/s1;
    XHPZRQBHFOVLEJ-UNUIOPIBSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)OC[CH](CO[P](O)(=
    O)OCCN(C)C)OC(=O)CCCCCCCC=CCCCCCCCC; CCC
    CCCCCC=CCCCCCCCC(=O)OCC(COP(=O)(O)OCCN(C
    )C)OC(=O)CCCCCCCC=CCCCCCCCC; CCCCCCCC\C=
    C/CCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN(C
    )C)OC(=O)CCCCCCC\C=C/CCCCCCCC; CCCCCCCC/
    C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C
    )C)OC(=O)CCCCCCC/C=C\CCCCCCCC    		 [(2~{R})-3-[2-(dimethylamino)ethoxy-oxidanyl-phosphoryl]oxy-2-[(~{Z})-octadec-9-enoyl]oxy-propyl] (~{Z})-octadec-9-enoate
    13770
    A1L1V    		 1 C22 H32 O3 InChI=1S/C22H32O3/c1-14-8
    -11-22(12-9-14)13-10-16-7
    -6-15(2)17(18(16)22)19(20
    (23)24)25-21(3,4)5/h6-7,1
    4,19H,8-13H2,1-5H3,(H,23,
    24)/t14-,19?,22-;
    YQKPBBPKXKYAIA-XYFPIFFSSA-N    		 C[CH]1CC[C]2(CC1)CCc3ccc(C)c([CH](OC(C)(
    C)C)C(O)=O)c23; Cc1ccc2c(c1[C@@H](C(=O)O
    )OC(C)(C)C)C3(CC2)CCC(CC3)C; C[C@@H]1CC[
    C@@]2(CC1)CCc3ccc(C)c([C@H](OC(C)(C)C)C(
    O)=O)c23; Cc1ccc2c(c1C(C(=O)O)OC(C)(C)C)
    C3(CC2)CCC(CC3)C    		 (2~{S})-2-(4',5-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl)-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
    13771
    A1L1W    		 1 C30 H45 N O4 InChI=1S/C30H45NO4/c1-19-
    12-15-30(16-13-19)17-14-2
    2-23(27(32)31-21-10-8-6-7
    -9-11-21)18-20(2)24(25(22
    )30)26(28(33)34)35-29(3,4
    )5/h18-19,21,26H,6-17H2,1
    -5H3,(H,31,32)(H,33,34)/t
    19-,26?,30-;
    OJRZALXVPTWGHE-ZLGRQJJPSA-N    		 C[CH]1CC[C]2(CC1)CCc3c(cc(C)c([CH](OC(C)
    (C)C)C(O)=O)c23)C(=O)NC4CCCCCC4; Cc1cc(c
    2c(c1[C@@H](C(=O)O)OC(C)(C)C)C3(CC2)CCC(
    CC3)C)C(=O)NC4CCCCCC4; C[C@@H]1CC[C@@]2(
    CC1)CCc3c(cc(C)c([C@H](OC(C)(C)C)C(O)=O)
    c23)C(=O)NC4CCCCCC4; Cc1cc(c2c(c1C(C(=O)
    O)OC(C)(C)C)C3(CC2)CCC(CC3)C)C(=O)NC4CCC
    CCC4    		 (2~{S})-2-[7-(cycloheptylcarbamoyl)-4',5-dimethyl-spiro[1,2-dihydroindene-3,1'-cyclohexane]-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
    13772
    A1L1X    		 3 C32 H34 F N3 O5 InChI=1S/C32H34FN3O5/c1-8
    -27-34-24(16-39-7)28(35-2
    7)26-14-22-30(41-26)23(15
    -36(6)31(22)37)21-13-19(3
    2(4,5)38)9-10-25(21)40-29
    -17(2)11-20(33)12-18(29)3
    /h9-15,38H,8,16H2,1-7H3,(
    H,34,35);
    FGMZZPSGWQQHGY-UHFFFAOYSA-N    		 CCc1[nH]c(c(COC)n1)c2oc3c(c2)C(=O)N(C)C=
    C3c4cc(ccc4Oc5c(C)cc(F)cc5C)C(C)(C)O; CC
    c1[nH]c(c(n1)COC)c2cc3c(o2)C(=CN(C3=O)C)
    c4cc(ccc4Oc5c(cc(cc5C)F)C)C(C)(C)O    		 2-[2-ethyl-4-(methoxymethyl)-1~{H}-imidazol-5-yl]-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one
    13773
    A1L22    		 6 C17 H19 N11 O5 InChI=1S/C17H19N11O5/c18-
    12-11(14(30)24-16(19)23-1
    2)22-17(33)20-8-3-1-7(2-4
    -8)13(29)21-9(15(31)32)5-
    6-10-25-27-28-26-10/h1-4,
    9H,5-6H2,(H,21,29)(H,31,3
    2)(H2,20,22,33)(H,25,26,2
    7,28)(H5,18,19,23,24,30)/
    t9-/m0/s1;
    DYAJTEFYYZBPLF-VIFPVBQESA-N    		 c1cc(ccc1C(=O)N[C@@H](CCc2[nH]nnn2)C(=O)
    O)NC(=O)NC3=C(N=C(NC3=O)N)N; c1cc(ccc1C(
    =O)NC(CCc2[nH]nnn2)C(=O)O)NC(=O)NC3=C(N=
    C(NC3=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2)
    C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=O)N1)N
    ; NC1=NC(=C(NC(=O)Nc2ccc(cc2)C(=O)N[C@@H
    ](CCc3[nH]nnn3)C(O)=O)C(=O)N1)N    		 (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid
    13774
    A1L23    		 6 C17 H18 Cl N7 O7 InChI=1S/C17H18ClN7O7/c18
    -7-5-6(13(28)21-9(15(30)3
    1)3-4-10(26)27)1-2-8(7)22
    -17(32)23-11-12(19)24-16(
    20)25-14(11)29/h1-2,5,9H,
    3-4H2,(H,21,28)(H,26,27)(
    H,30,31)(H2,22,23,32)(H5,
    19,20,24,25,29)/t9-/m0/s1;
    BJAUZBHLYBAGGA-VIFPVBQESA-N    		 NC1=NC(=C(NC(=O)Nc2ccc(cc2Cl)C(=O)N[CH](
    CCC(O)=O)C(O)=O)C(=O)N1)N; c1cc(c(cc1C(=
    O)NC(CCC(=O)O)C(=O)O)Cl)NC(=O)NC2=C(N=C(
    NC2=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2Cl)
    C(=O)N[C@@H](CCC(O)=O)C(O)=O)C(=O)N1)N;
    c1cc(c(cc1C(=O)N[C@@H](CCC(=O)O)C(=O)O)C
    l)NC(=O)NC2=C(N=C(NC2=O)N)N    		 (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]pentanedioic acid
    13775
    A1L24    		 6 C17 H18 Cl N11 O5 InChI=1S/C17H18ClN11O5/c1
    8-7-5-6(13(30)21-9(15(32)
    33)3-4-10-26-28-29-27-10)
    1-2-8(7)22-17(34)23-11-12
    (19)24-16(20)25-14(11)31/
    h1-2,5,9H,3-4H2,(H,21,30)
    (H,32,33)(H2,22,23,34)(H,
    26,27,28,29)(H5,19,20,24,
    25,31)/t9-/m0/s1;
    LOIWNLZLSHHXMZ-VIFPVBQESA-N    		 c1cc(c(cc1C(=O)N[C@@H](CCc2[nH]nnn2)C(=O
    )O)Cl)NC(=O)NC3=C(N=C(NC3=O)N)N; NC1=NC(
    =C(NC(=O)Nc2ccc(cc2Cl)C(=O)N[C@@H](CCc3[
    nH]nnn3)C(O)=O)C(=O)N1)N; c1cc(c(cc1C(=O
    )NC(CCc2[nH]nnn2)C(=O)O)Cl)NC(=O)NC3=C(N
    =C(NC3=O)N)N; NC1=NC(=C(NC(=O)Nc2ccc(cc2
    Cl)C(=O)N[CH](CCc3[nH]nnn3)C(O)=O)C(=O)N
    1)N    		 (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-chloranyl-phenyl]carbonylamino]-4-(1~{H}-1,2,3,4-tetrazol-5-yl)butanoic acid
    13776
    A1L25    		 6 C18 H21 N7 O7 InChI=1S/C18H21N7O7/c1-7-
    6-8(14(28)21-10(16(30)31)
    4-5-11(26)27)2-3-9(7)22-1
    8(32)23-12-13(19)24-17(20
    )25-15(12)29/h2-3,6,10H,4
    -5H2,1H3,(H,21,28)(H,26,2
    7)(H,30,31)(H2,22,23,32)(
    H5,19,20,24,25,29)/t10-/m
    0/s1;
    IIRDXYBDXIIREK-JTQLQIEISA-N    		 Cc1cc(ccc1NC(=O)NC2=C(N)N=C(N)NC2=O)C(=O
    )N[C@@H](CCC(O)=O)C(O)=O; Cc1cc(ccc1NC(=
    O)NC2=C(N=C(NC2=O)N)N)C(=O)N[C@@H](CCC(=
    O)O)C(=O)O; Cc1cc(ccc1NC(=O)NC2=C(N)N=C(
    N)NC2=O)C(=O)N[CH](CCC(O)=O)C(O)=O; Cc1c
    c(ccc1NC(=O)NC2=C(N=C(NC2=O)N)N)C(=O)NC(
    CCC(=O)O)C(=O)O    		 (2~{S})-2-[[4-[[2,4-bis(azanyl)-6-oxidanylidene-1~{H}-pyrimidin-5-yl]carbamoylamino]-3-methyl-phenyl]carbonylamino]pentanedioic acid
    13777
    A1L26    		 3 C47 H85 O19 P3 InChI=1S/C47H85O19P3/c1-3
    -5-7-9-11-13-15-17-19-20-
    22-23-25-27-29-31-33-35-4
    0(48)61-37-39(63-41(49)36
    -34-32-30-28-26-24-21-18-
    16-14-12-10-8-6-4-2)38-62
    -69(59,60)66-45-42(50)43(
    51)46(64-67(53,54)55)47(4
    4(45)52)65-68(56,57)58/h1
    1,13,17,19,22-23,27,29,39
    ,42-47,50-52H,3-10,12,14-
    16,18,20-21,24-26,28,30-3
    8H2,1-2H3,(H,59,60)(H2,53
    ,54,55)(H2,56,57,58)/b13-
    11+,19-17+,23-22+,29-27+/
    t39-,42-,43+,44-,45+,46+,
    47+/m1/s1;
    WSOUXFSBLZNSFX-BSWMUMJKSA-N    		 CCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCC=CCC
    =CCC=CCC=CCCCCC)COP(=O)(O)OC1C(C(C(C(C1O
    )OP(=O)(O)O)OP(=O)(O)O)O)O; CCCCCCCCCCCC
    CCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C/C/
    C=C/C/C=C/CCCCC)COP(=O)(O)O[C@H]1[C@@H](
    [C@@H]([C@@H]([C@H]([C@@H]1O)OP(=O)(O)O)
    OP(=O)(O)O)O)O; CCCCCCCCCCCCCCCCCC(=O)O[
    CH](COC(=O)CCCC=CCC=CCC=CCC=CCCCCC)CO[P]
    (O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(
    O)=O)[CH](O[P](O)(O)=O)[CH]1O; CCCCCCCCC
    CCCCCCCCC(=O)O[C@H](COC(=O)CCC/C=C/C/C=C
    /C/C=C/C/C=C/CCCCC)CO[P](O)(=O)O[C@H]1[C
    @H](O)[C@H](O)[C@H](O[P](O)(O)=O)[C@@H](
    O[P](O)(O)=O)[C@@H]1O    		 Pip2(20:4/18:0);
    [(2R)-3-[hydroxy-[(1S,5S)-2,3,6-trihydroxy-4,5-diphosphonooxycyclohexyl]oxyphosphoryl]oxy-2-octadecanoyloxypropyl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate;
    Phosphatidylinositol Diphosphate(20:4n6/18:0)
    13778
    A1L27    		 1 C32 H45 N O7 InChI=1S/C32H45NO7/c1-6-2
    7-21(4)12-13-31(40-27)17-
    25-16-24(39-31)11-10-20(3
    )14-19(2)8-7-9-23-18-37-2
    9-28(33-36)22(5)15-26(30(
    34)38-25)32(23,29)35/h7-1
    0,15,19,21,24-27,29,35-36
    H,6,11-14,16-18H2,1-5H3/b
    8-7+,20-10+,23-9+,33-28-/
    t19-,21-,24+,25-,26-,27+,
    29+,31+,32+/m0/s1;
    YCAZFHUABUMOIM-JUBNYKKYSA-N    		 CCC1C(CCC2(O1)CC3CC(O2)CC=C(CC(C=CC=C4CO
    C5C4(C(C=C(C5=NO)C)C(=O)O3)O)C)C)C; CC[C
    @@H]1[C@H](CC[C@@]2(O1)C[C@@H]3C[C@H](O2
    )C/C=C(/C[C@H](/C=C/C=C/4\CO[C@H]\5[C@@]
    4([C@@H](C=C(/C5=N/O)C)C(=O)O3)O)C)\C)C;
    CC[CH]1O[C]2(CC[CH]1C)C[CH]3C[CH](CC=C(
    C)C[CH](C)C=CC=C4CO[CH]5C(=NO)C(=C[CH](C
    (=O)O3)[C]45O)C)O2; CC[C@H]1O[C@]2(CC[C@
    @H]1C)C[C@@H]3C[C@@H](C\C=C(/C)C[C@@H](C
    )\C=C\C=C4/CO[C@@H]5\C(=N/O)C(=C[C@@H](C
    (=O)O3)[C@]45O)C)O2    		 milbemycin oxime;
    (1~{R},4~{S},5'~{S},6~{R},6'~{R},8~{R},10~{E},10~{R},13~{R},14~{E},16~{E},21~{Z},24~{S})-6'-ethyl-21-hydroxyimino-5',11,13,22-tetramethyl-24-oxidanyl-spiro[3,7,19-trioxatetracyclo[15.6.1.1^{4,8}.1^{20,24}]pentacosa-10,14,16,22-tetraene-6,2'-oxane]-2-one;
    Milbemycin A4 oxime
    13779
    A1L2B    		 2 C38 H74 O8 InChI=1S/C38H74O8/c1-3-5-
    7-9-11-13-15-17-19-21-23-
    25-27-29-32(39)31(28-26-2
    4-22-20-18-16-14-12-10-8-
    6-4-2)37(43)45-30-33-34(4
    0)35(41)36(42)38(44)46-33
    /h31-36,38-42,44H,3-30H2,
    1-2H3/t31-,32-,33-,34-,35
    +,36-,38+/m1/s1;
    AQVWXIRCPXPVPT-DGHSZEKHSA-N    		 CCCCCCCCCCCCCCC[C@H]([C@@H](CCCCCCCCCCCC
    CC)C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@H
    ](O1)O)O)O)O)O; CCCCCCCCCCCCCCC[CH](O)[C
    H](CCCCCCCCCCCCCC)C(=O)OC[CH]1O[CH](O)[C
    H](O)[CH](O)[CH]1O; CCCCCCCCCCCCCCC[C@@H
    ](O)[C@@H](CCCCCCCCCCCCCC)C(=O)OC[C@H]1O
    [C@H](O)[C@H](O)[C@@H](O)[C@@H]1O; CCCCC
    CCCCCCCCCCC(C(CCCCCCCCCCCCCC)C(=O)OCC1C(
    C(C(C(O1)O)O)O)O)O    		 [(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl (2R,3R)-3-oxidanyl-2-tetradecyl-octadecanoate
    13780
    A1L2C    		 4 C10 H8 O4 InChI=1S/C10H8O4/c11-5-6-
    3-10(13)14-9-4-7(12)1-2-8
    (6)9/h1-4,11-12H,5H2;
    IWPNSXBCZANXBC-UHFFFAOYSA-N    		 c1cc2c(cc1O)OC(=O)C=C2CO; OCC1=CC(=O)Oc2
    cc(O)ccc12    		 4-(hydroxymethyl)-7-oxidanyl-chromen-2-one
    13781
    A1L2D    		 3 C12 H10 O5 InChI=1S/C12H10O5/c1-2-16
    -12(15)9-6-11(14)17-10-5-
    7(13)3-4-8(9)10/h3-6,13H,
    2H2,1H3;
    SNMUERBNQDOIQB-UHFFFAOYSA-N    		 CCOC(=O)C1=CC(=O)Oc2c1ccc(c2)O; CCOC(=O)
    C1=CC(=O)Oc2cc(O)ccc12    		 ethyl 7-oxidanyl-2-oxidanylidene-chromene-4-carboxylate
    13782
    A1L2E    		 1 C17 H13 N O4 InChI=1S/C17H13NO4/c19-17
    -9-8-15(22-17)10-14-7-6-1
    3(11-16(14)18(20)21)12-4-
    2-1-3-5-12/h1-9,11,15H,10
    H2/t15-/m1/s1;
    RCYKWQHJOBNQFZ-OAHLLOKOSA-N    		 c1ccc(cc1)c2ccc(c(c2)N(=O)=O)C[C@H]3C=CC
    (=O)O3; O=C1O[CH](Cc2ccc(cc2[N](=O)=O)c3
    ccccc3)C=C1; O=C1O[C@@H](Cc2ccc(cc2[N](=
    O)=O)c3ccccc3)C=C1; c1ccc(cc1)c2ccc(c(c2
    )N(=O)=O)CC3C=CC(=O)O3    		 (2~{S})-2-[(2-nitro-4-phenyl-phenyl)methyl]-2~{H}-furan-5-one
    13783
    A1L2I    		 1 C14 H25 N O8 InChI=1S/C14H25NO8/c1-5-8
    (11(19)13(21)14(22-2)23-5
    )15-7-3-6(4-16)9(17)12(20
    )10(7)18/h3,5,7-21H,4H2,1
    -2H3/t5-,7+,8-,9-,10+,11+
    ,12+,13-,14+/m1/s1;
    KFHKERRGDZTZQJ-SHCNSHNESA-N    		 CO[CH]1O[CH](C)[CH](N[CH]2C=C(CO)[CH](O)
    [CH](O)[CH]2O)[CH](O)[CH]1O; CO[C@H]1O[C
    @H](C)[C@@H](N[C@H]2C=C(CO)[C@@H](O)[C@H
    ](O)[C@H]2O)[C@H](O)[C@H]1O; CC1C(C(C(C(
    O1)OC)O)O)NC2C=C(C(C(C2O)O)O)CO; C[C@@H]
    1[C@H]([C@@H]([C@H]([C@H](O1)OC)O)O)N[C@
    H]2C=C([C@H]([C@@H]([C@H]2O)O)O)CO    		 Acarviosin;
    (1~{S},2~{S},3~{R},6~{S})-4-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-methoxy-2-methyl-4,5-bis(oxidanyl)oxan-3-yl]amino]cyclohex-4-ene-1,2,3-triol
    13784
    A1L2J    		 3 C21 H27 N3 O3 S InChI=1S/C21H27N3O3S/c1-1
    6-4-3-5-19(22-16)12-15-24
    -13-10-18(11-14-24)21(25)
    17-6-8-20(9-7-17)23-28(2,
    26)27/h3-9,18,23H,10-15H2
    ,1-2H3;
    SRUISGSHWFJION-UHFFFAOYSA-N    		 Cc1cccc(CCN2CCC(CC2)C(=O)c3ccc(N[S](C)(=
    O)=O)cc3)n1; Cc1cccc(n1)CCN2CCC(CC2)C(=O
    )c3ccc(cc3)NS(=O)(=O)C    		 ~{N}-[4-[1-[2-(6-methylpyridin-2-yl)ethyl]piperidin-4-yl]carbonylphenyl]methanesulfonamide
    13785
    A1L2K    		 3 C12 H12 Cl N7 O InChI=1S/C12H12ClN7O/c13-
    8-10(15)19-9(14)7(18-8)11
    (21)20-12(16)17-6-4-2-1-3
    -5-6/h1-5H,(H4,14,15,19)(
    H3,16,17,20,21);
    NIOHELZQFBGCEO-UHFFFAOYSA-N    		 c1ccc(cc1)NC(=N)NC(=O)c2c(nc(c(n2)Cl)N)N
    ; Nc1nc(N)c(nc1Cl)C(=O)NC(=N)Nc2ccccc2    		 phenamil;
    3,5-bis(azanyl)-6-chloranyl-~{N}-(~{N}-phenylcarbamimidoyl)pyrazine-2-carboxamide
    13786
    A1L2L    		 1 C16 H16 N2 O6 InChI=1S/C16H16N2O6/c19-1
    2(20)7-17-15(22)13-14(21)
    10-3-1-2-4-11(10)18(16(13
    )23)24-8-9-5-6-9/h1-4,9,2
    3H,5-8H2,(H,17,22)(H,19,2
    0);
    UWIIFTJFUAMASV-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C(=C(N2OCC3CC3)O)C(=O)NC
    C(=O)O; OC(=O)CNC(=O)C1=C(O)N(OCC2CC2)c3
    ccccc3C1=O    		 2-[[1-(cyclopropylmethoxy)-2-oxidanyl-4-oxidanylidene-quinolin-3-yl]carbonylamino]ethanoic acid
    13787
    A1L2M    		 2 C25 H28 N8 O InChI=1S/C25H28N8O/c1-16(
    19-9-6-17-4-2-3-5-20(17)1
    4-19)27-22-15-21(31-10-12
    -32(13-11-31)24(26)34)28-
    25-29-23(18-7-8-18)30-33(
    22)25/h2-6,9,14-16,18,27H
    ,7-8,10-13H2,1H3,(H2,26,3
    4)/t16-/m1/s1;
    TUOBKNKUSLWHLI-MRXNPFEDSA-N    		 CC(c1ccc2ccccc2c1)Nc3cc(nc4n3nc(n4)C5CC5
    )N6CCN(CC6)C(=O)N; C[C@H](c1ccc2ccccc2c1
    )Nc3cc(nc4n3nc(n4)C5CC5)N6CCN(CC6)C(=O)N
    ; C[CH](Nc1cc(nc2nc(nn12)C3CC3)N4CCN(CC4
    )C(N)=O)c5ccc6ccccc6c5; C[C@@H](Nc1cc(nc
    2nc(nn12)C3CC3)N4CCN(CC4)C(N)=O)c5ccc6cc
    ccc6c5    		 4-[2-cyclopropyl-7-[[(1~{R})-1-naphthalen-2-ylethyl]amino]-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]piperazine-1-carboxamide
    13788
    A1L2V    		 1 C15 H11 Cl O4 InChI=1S/C15H11ClO4/c16-1
    2-7-9(2-6-14(12)19)1-5-13
    (18)11-4-3-10(17)8-15(11)
    20/h1-8,17,19-20H/b5-1+;
    ROHDVIDCQSNCQQ-ORCRQEGFSA-N    		 c1cc(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Cl)O; O
    c1ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Cl)c2; Oc
    1ccc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Cl)c2; c
    1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Cl)O    		 (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-chloranyl-4-oxidanyl-phenyl)prop-2-en-1-one
    13789
    A1L2W    		 1 C15 H11 Br O4 InChI=1S/C15H11BrO4/c16-1
    2-7-9(2-6-14(12)19)1-5-13
    (18)11-4-3-10(17)8-15(11)
    20/h1-8,17,19-20H/b5-1+;
    YOXIGWQDHRYVTE-ORCRQEGFSA-N    		 c1cc(c(cc1C=CC(=O)c2ccc(cc2O)O)Br)O; c1c
    c(c(cc1/C=C/C(=O)c2ccc(cc2O)O)Br)O; Oc1c
    cc(c(O)c1)C(=O)\C=C\c2ccc(O)c(Br)c2; Oc1
    ccc(c(O)c1)C(=O)C=Cc2ccc(O)c(Br)c2    		 (~{E})-1-[2,4-bis(oxidanyl)phenyl]-3-(3-bromanyl-4-oxidanyl-phenyl)prop-2-en-1-one
    13790
    A1L2Z    		 1 C11 H10 O4 InChI=1S/C11H10O4/c1-14-6
    -7-4-11(13)15-10-5-8(12)2
    -3-9(7)10/h2-5,12H,6H2,1H
    3;
    PRVOZGKAZHXKMM-UHFFFAOYSA-N    		 COCC1=CC(=O)Oc2c1ccc(c2)O; COCC1=CC(=O)O
    c2cc(O)ccc12    		 7-Hydroxy-4-methoxymethylcoumarin;
    4-(methoxymethyl)-7-oxidanyl-chromen-2-one
    13791
    A1L31    		 2 C25 H24 F N7 O2 S InChI=1S/C25H24FN7O2S/c1-
    31(2)25(35)23-22(30-20-8-
    7-15(26)13-33(20)23)14-11
    -32(12-14)21-9-17(24(34)2
    8-10-19(27)36)16-5-3-4-6-
    18(16)29-21/h3-9,13-14H,1
    0-12H2,1-2H3,(H2,27,36)(H
    ,28,34);
    ZCOFOZHMMNQONH-UHFFFAOYSA-N    		 CN(C)C(=O)c1c(nc2n1cc(cc2)F)C3CN(C3)c4cc
    (c5ccccc5n4)C(=O)NCC(=S)N; CN(C)C(=O)c1n
    2cc(F)ccc2nc1C3CN(C3)c4cc(C(=O)NCC(N)=S)
    c5ccccc5n4    		 ~{N}-(2-azanyl-2-sulfanylidene-ethyl)-2-[3-[3-(dimethylcarbamoyl)-6-fluoranyl-imidazo[1,2-a]pyridin-2-yl]azetidin-1-yl]quinoline-4-carboxamide
    13792
    A1L36    		 4 C7 H3 Br2 N O InChI=1S/C7H3Br2NO/c8-5-1
    -4(3-10)2-6(9)7(5)11/h1-2
    ,11H;
    UPMXNNIRAGDFEH-UHFFFAOYSA-N    		 Oc1c(Br)cc(cc1Br)C#N; c1c(cc(c(c1Br)O)Br
    )C#N    		 bromoxynil;
    3,5-bis(bromanyl)-4-oxidanyl-benzenecarbonitrile
    13793
    A1L37    		 3 C7 H3 I2 N O InChI=1S/C7H3I2NO/c8-5-1-
    4(3-10)2-6(9)7(5)11/h1-2,
    11H;
    NRXQIUSYPAHGNM-UHFFFAOYSA-N    		 c1c(cc(c(c1I)O)I)C#N; Oc1c(I)cc(cc1I)C#N ioxynil;
    3,5-bis(iodanyl)-4-oxidanyl-benzenecarbonitrile
    13794
    A1L38    		 2 C12 H9 Cl N2 O3 InChI=1S/C12H9ClN2O3/c13-
    11-10(18-8-4-2-1-3-5-8)7-
    6-9(12(11)14)15(16)17/h1-
    7H,14H2;
    DDBMQDADIHOWIC-UHFFFAOYSA-N    		 Nc1c(Cl)c(Oc2ccccc2)ccc1[N+]([O-])=O; c1
    ccc(cc1)Oc2ccc(c(c2Cl)N)[N+](=O)[O-]    		 Aclonifen;
    2-chloranyl-6-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-3-phenoxy-aniline
    13795
    A1L3A    		 2 C20 H15 F3 N8 InChI=1S/C20H15F3N8/c1-29
    -9-11-6-14(15(21)7-17(11)
    27-29)20(22,23)19-26-25-1
    8-5-4-16(28-31(18)19)12-8
    -24-30(10-12)13-2-3-13/h4
    -10,13H,2-3H2,1H3;
    QHXLXUIZUCJRKV-UHFFFAOYSA-N    		 Cn1cc2cc(c(cc2n1)F)C(c3nnc4n3nc(cc4)c5cn
    n(c5)C6CC6)(F)F; Cn1cc2cc(c(F)cc2n1)C(F)
    (F)c3nnc4ccc(nn34)c5cnn(c5)C6CC6    		 bozitinib;
    9-[bis(fluoranyl)-(6-fluoranyl-2-methyl-indazol-5-yl)methyl]-3-(1-cyclopropylpyrazol-4-yl)-1$l^{4},2,7,8-tetrazabicyclo[4.3.0]nona-1,3,5,8-tetraene;
    Vebreltinib
    13796
    A1L3E    		 1 C26 H27 Br N2 O5 InChI=1S/C26H27BrN2O5/c1-
    4-34-21-13-15(12-16(27)25
    (21)31)23-22(14(2)28-18-9
    -7-10-19(30)24(18)23)26(3
    2)29-17-8-5-6-11-20(17)33
    -3/h5-6,8,11-13,23,28,31H
    ,4,7,9-10H2,1-3H3,(H,29,3
    2);
    VFIAGZFUJFJECK-UHFFFAOYSA-N    		 CCOc1cc(cc(c1O)Br)C2C3=C(CCCC3=O)NC(=C2C
    (=O)Nc4ccccc4OC)C; CCOc1cc(cc(Br)c1O)[CH
    ]2C(=C(C)NC3=C2C(=O)CCC3)C(=O)Nc4ccccc4O
    C; CCOc1cc(cc(Br)c1O)[C@@H]2C(=C(C)NC3=C
    2C(=O)CCC3)C(=O)Nc4ccccc4OC    		 4-(3-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-~{N}-(2-methoxyphenyl)-2-methyl-5-oxidanylidene-4,6,7,8-tetrahydro-1~{H}-quinoline-3-carboxamide
    13797
    A1L3H    		 1 C20 H32 InChI=1S/C20H32/c1-14-7-6
    -11-20(5)12-10-17-15(2)8-
    9-16(13-18(14)20)19(17,3)
    4/h7,16,18H,6,8-13H2,1-5H
    3/t16-,18+,20-/m1/s1;
    FRJSECSOXKQMOD-IMFGXOCKSA-N    		 CC1=C2CCC3(CCC=C(C3CC(C2(C)C)CC1)C)C; CC
    1=C2CC[C]3(C)CCC=C(C)[CH]3C[CH](CC1)C2(C
    )C; CC1=C2CC[C@@]3(C)CCC=C(C)[C@@H]3C[C@
    @H](CC1)C2(C)C; CC1=C2CC[C@]3(CCC=C([C@@
    H]3C[C@H](C2(C)C)CC1)C)C    		 (1~{R},3~{R},8~{R})-4,8,12,15,15-pentamethyltricyclo[9.3.1.0^{3,8}]pentadeca-4,11-diene
    13798
    A1L3N    		 4 C23 H26 N4 O3 InChI=1S/C23H26N4O3/c1-14
    (2)23(19(12-24)21(25)30-2
    2-20(23)15(3)26-27-22)18-
    10-16(7-5-4-6-8-28)9-17(1
    1-18)13-29/h9-11,14,28-29
    H,4,6,8,13,25H2,1-3H3,(H,
    26,27)/t23-/m0/s1;
    IWUCUJZMKDHLOF-QHCPKHFHSA-N    		 CC(C)[C@]1(c2cc(CO)cc(c2)C#CCCCO)C(=C(N)
    Oc3[nH]nc(C)c13)C#N; Cc1c2c([nH]n1)OC(=C
    ([C@@]2(c3cc(cc(c3)C#CCCCO)CO)C(C)C)C#N)
    N; Cc1c2c([nH]n1)OC(=C(C2(c3cc(cc(c3)C#C
    CCCO)CO)C(C)C)C#N)N; CC(C)[C]1(c2cc(CO)c
    c(c2)C#CCCCO)C(=C(N)Oc3[nH]nc(C)c13)C#N    		 (+)-SHIN-2;
    (4~{R})-6-azanyl-4-[3-(hydroxymethyl)-5-(5-oxidanylpent-1-ynyl)phenyl]-3-methyl-4-propan-2-yl-1~{H}-pyrano[2,3-c]pyrazole-5-carbonitrile
    13799
    A1L3Q    		 1 C17 H25 N O2 InChI=1S/C17H25NO2/c1-5-1
    6-12(4)13-9-8-10-14(17(13
    )20-16)15(11-19)18(6-2)7-
    3/h8-10,15,19H,5-7,11H2,1
    -4H3/t15-/m0/s1;
    FXNNNICQCLNEPG-HNNXBMFYSA-N    		 CCc1c(c2cccc(c2o1)C(CO)N(CC)CC)C; CCc1c(
    c2cccc(c2o1)[C@H](CO)N(CC)CC)C; CCN(CC)[
    C@@H](CO)c1cccc2c(C)c(CC)oc12; CCN(CC)[C
    H](CO)c1cccc2c(C)c(CC)oc12    		 CpY;
    (2~{R})-2-(diethylamino)-2-(2-ethyl-3-methyl-1-benzofuran-7-yl)ethanol
    13800
    A1L3S    		 1 C29 H29 F3 N4 O3 InChI=1S/C29H29F3N4O3/c1-
    15-27(16(2)39-34-15)17-4-
    11-25-24(12-17)33-28(35(2
    5)18-5-8-20(38-3)9-6-18)2
    6-14-23(32)29(37)36(26)19
    -7-10-21(30)22(31)13-19/h
    4,7,10-13,18,20,23,26H,5-
    6,8-9,14H2,1-3H3/t18-,20-
    ,23-,26-/m0/s1;
    JLOJBSFFOSCKTK-BYHUZDBLSA-N    		 CO[C@@H]1CC[C@H](CC1)n2c(nc3cc(ccc23)c4c
    (C)onc4C)[C@@H]5C[C@H](F)C(=O)N5c6ccc(F)
    c(F)c6; Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4C
    CC(CC4)OC)C5CC(C(=O)N5c6ccc(c(c6)F)F)F;
    Cc1c(c(on1)C)c2ccc3c(c2)nc(n3C4CCC(CC4)O
    C)[C@@H]5C[C@@H](C(=O)N5c6ccc(c(c6)F)F)F
    ; CO[CH]1CC[CH](CC1)n2c(nc3cc(ccc23)c4c(
    C)onc4C)[CH]5C[CH](F)C(=O)N5c6ccc(F)c(F)
    c6    		 (3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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