SEQ2FUN

BioLiP

Search Ligand

Ligand ID    Formula    InChI    InChIKey    SMILES    Ligand name     

Browse Ligand

  • Click # to view 2D diagram of the ligand.
  • The 3-letter Ligand ID follows the Chemical Component Dictionary (CCD) used by the PDB database. When availble, the Ligand ID from ChEMBL, DrugBank, and ZINC databases are also listed in the form of CHEMBL*, DB*, and ZINC*, respectively. Click on the Ligand ID to view the ligand at RCSB PDB, ChEMBL, DrugBank or ZINC.
  • Count is the number of BioLiP entries with the ligand. The full statistics is available at lig_frequency.txt. Click Count to search the ligand through BioLiP.
  • If multiple SMILES strings exists for the same ligand, different SMILES are separated by semicolon ";".

    • << < 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 > >>
    Go to page
    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    14801 A1CF5 1 C10 H9 F3 O4 InChI=1S/C10H9F3O4/c1-17-
    7-4-2-6(3-5-7)8(14)9(15,1
    6)10(11,12)13/h2-5,15-16H
    ,1H3;
    OJRZKDIVULZAPY-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)C(O)(O)C(F)(F)F; COc1cc
    c(cc1)C(=O)C(C(F)(F)F)(O)O    		 3,3,3-trifluoro-2,2-dihydroxy-1-(4-methoxyphenyl)propan-1-one
    14802 A1CF8
    CHEMBL443052
    DB09041    		 3 C7 H6 B F O2 InChI=1S/C7H6BFO2/c9-6-1-
    2-7-5(3-6)4-11-8(7)10/h1-
    3,10H,4H2;
    LFQDNHWZDQTITF-UHFFFAOYSA-N    		 OB1OCc2cc(F)ccc12; B1(c2ccc(cc2CO1)F)O Tavaborole;
    5-fluoro-2,1-benzoxaborol-1(3H)-ol
    14803 A1CFA 1 C10 H11 Cl N O5 P InChI=1S/C10H11ClNO5P/c11
    -9-4-2-8(3-5-9)10(13)12(1
    4)6-1-7-18(15,16)17/h1-5,
    7,14H,6H2,(H2,15,16,17)/b
    7-1+;
    JQNHMGORVLNPLD-LREOWRDNSA-N    		 c1cc(ccc1C(=O)N(C/C=C/P(=O)(O)O)O)Cl; ON
    (C\C=C\[P](O)(O)=O)C(=O)c1ccc(Cl)cc1; c1
    cc(ccc1C(=O)N(CC=CP(=O)(O)O)O)Cl; O=C(c1
    ccc(Cl)cc1)N(O)C/C=C/P(=O)(O)O; ON(CC=C[
    P](O)(O)=O)C(=O)c1ccc(Cl)cc1    		 [(1E)-3-(4-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
    14804 A1CFB 1 C10 H11 Cl N O5 P InChI=1S/C10H11ClNO5P/c11
    -9-4-1-3-8(7-9)10(13)12(1
    4)5-2-6-18(15,16)17/h1-4,
    6-7,14H,5H2,(H2,15,16,17)
    /b6-2+;
    LIJACNNYARJOBI-QHHAFSJGSA-N    		 c1cc(cc(c1)Cl)C(=O)N(CC=CP(=O)(O)O)O; ON
    (C\C=C\[P](O)(O)=O)C(=O)c1cccc(Cl)c1; O=
    C(c1cc(Cl)ccc1)N(O)C/C=C/P(=O)(O)O; ON(C
    C=C[P](O)(O)=O)C(=O)c1cccc(Cl)c1; c1cc(c
    c(c1)Cl)C(=O)N(C/C=C/P(=O)(O)O)O    		 [(1E)-3-(3-chloro-N-hydroxybenzamido)prop-1-en-1-yl]phosphonic acid
    14805 A1CFC 1 C8 H11 N O S InChI=1S/C8H11NOS/c1-11(1
    0)8-4-2-7(6-9)3-5-8/h2-5H
    ,6,9H2,1H3;
    OVDPJXUHQXPHIX-UHFFFAOYSA-N    		 CS(=O)c1ccc(cc1)CN; C[S@@](=O)c1ccc(CN)c
    c1; O=S(C)c1ccc(CN)cc1; C[S](=O)c1ccc(CN
    )cc1    		 1-{4-[(R)-methanesulfinyl]phenyl}methanamine
    14806 A1CFD 2 C11 H14 N2 O2 InChI=1S/C11H14N2O2/c12-7
    -11(14)13-9-5-6-15-10-4-2
    -1-3-8(9)10/h1-4,9H,5-7,1
    2H2,(H,13,14)/t9-/m1/s1;
    RWJMQOAUQAINHS-SECBINFHSA-N    		 NCC(=O)NC1CCOc2ccccc21; c1ccc2c(c1)C(CCO
    2)NC(=O)CN; c1ccc2c(c1)[C@@H](CCO2)NC(=O
    )CN; NCC(=O)N[C@@H]1CCOc2ccccc12; NCC(=O
    )N[CH]1CCOc2ccccc12    		 N-[(4R)-3,4-dihydro-2H-1-benzopyran-4-yl]glycinamide
    14807 A1CFE 1 C12 H15 N3 O InChI=1S/C12H15N3O/c1-15-
    8-7-14-12(15)11(13)9-3-5-
    10(16-2)6-4-9/h3-8,11H,13
    H2,1-2H3/t11-/m0/s1;
    NGFVORJRIAJDAY-NSHDSACASA-N    		 Cn1ccnc1[C@H](c2ccc(cc2)OC)N; Cn1ccnc1C(
    c2ccc(cc2)OC)N; COc1ccc(cc1)[C@H](N)c2nc
    cn2C; COc1ccc(cc1)[CH](N)c2nccn2C; NC(c1
    ccc(OC)cc1)c1nccn1C    		 (S)-1-(4-methoxyphenyl)-1-(1-methyl-1H-imidazol-2-yl)methanamine
    14808 A1CFF 1 C7 H14 N2 O InChI=1S/C7H14N2O/c8-7(10
    )9-6-4-2-1-3-5-6/h6H,1-5H
    2,(H3,8,9,10);
    WUESWDIHTKHGQA-UHFFFAOYSA-N    		 C1CCC(CC1)NC(=O)N; NC(=O)NC1CCCCC1; O=C(
    N)NC1CCCCC1    		 N-cyclohexylurea
    14809 A1CFG 1 C11 H11 F N2 O InChI=1S/C11H11FN2O/c12-1
    0-4-2-1-3-9(10)7-14-6-5-1
    3-11(15)8-14/h1-5H,6-8H2;
    CFVZNWNMKVRFMY-UHFFFAOYSA-N    		 c1ccc(c(c1)CN2CC=NC(=O)C2)F; Fc1ccccc1CN
    1CC=NC(=O)C1; Fc1ccccc1CN2CC=NC(=O)C2    		 4-[(2-fluorophenyl)methyl]-4,5-dihydropyrazin-2(3H)-one
    14810 A1CFH 8 C17 H13 N O5 S InChI=1S/C17H13NO5S/c19-1
    6-10-14(24(21,22)23)9-12-
    8-13(6-7-15(12)16)18-17(2
    0)11-4-2-1-3-5-11/h1-10,1
    9H,(H,18,20)(H,21,22,23);
    ZLHGMJOGMLVDFS-UHFFFAOYSA-N    		 Oc1cc(cc2cc(NC(=O)c3ccccc3)ccc12)[S](O)(
    =O)=O; c1ccc(cc1)C(=O)Nc2ccc3c(c2)cc(cc3
    O)S(=O)(=O)O; O=S(=O)(O)c1cc(O)c2ccc(cc2
    c1)NC(=O)c1ccccc1    		 7-benzamido-4-hydroxynaphthalene-2-sulfonic acid
    14811 A1CFI 13 C16 H13 N O4 S InChI=1S/C16H13NO4S/c18-1
    6-10-14(22(19,20)21)9-11-
    8-13(6-7-15(11)16)17-12-4
    -2-1-3-5-12/h1-10,17-18H,
    (H,19,20,21);
    YGNDWDUEMICDLW-UHFFFAOYSA-N    		 O=S(=O)(O)c1cc(O)c2ccc(cc2c1)Nc1ccccc1;
    c1ccc(cc1)Nc2ccc3c(c2)cc(cc3O)S(=O)(=O)O
    ; Oc1cc(cc2cc(Nc3ccccc3)ccc12)[S](O)(=O)
    =O    		 7-anilino-4-hydroxynaphthalene-2-sulfonic acid
    14812 A1CFJ 22 C11 H8 Cl2 N2 O3 S InChI=1S/C11H8Cl2N2O3S/c1
    2-7-3-1-4-8(13)10(7)15-11
    -9(19(16,17)18)5-2-6-14-1
    1/h1-6H,(H,14,15)(H,16,17
    ,18);
    WLGWVYUEDPSKLN-UHFFFAOYSA-N    		 O=S(=O)(O)c1cccnc1Nc1c(Cl)cccc1Cl; c1cc(
    c(c(c1)Cl)Nc2c(cccn2)S(=O)(=O)O)Cl; O[S]
    (=O)(=O)c1cccnc1Nc2c(Cl)cccc2Cl    		 2-(2,6-dichloroanilino)pyridine-3-sulfonic acid
    14813 A1CFK 15 C14 H12 N2 O3 S InChI=1S/C14H12N2O3S/c17-
    20(18,19)14-15-12-8-4-5-9
    -13(12)16(14)10-11-6-2-1-
    3-7-11/h1-9H,10H2,(H,17,1
    8,19);
    HGYLMBSADYHHGI-UHFFFAOYSA-N    		 O=S(=O)(O)c1nc2ccccc2n1Cc1ccccc1; c1ccc(
    cc1)Cn2c3ccccc3nc2S(=O)(=O)O; O[S](=O)(=
    O)c1nc2ccccc2n1Cc3ccccc3    		 1-benzyl-1H-1,3-benzimidazole-2-sulfonic acid
    14814 A1CFM 1 C9 H13 N5 InChI=1S/C9H13N5/c1-7-8(6
    -11-12-7)5-10-9-3-4-14(2)
    13-9/h3-4,6H,5H2,1-2H3,(H
    ,10,13)(H,11,12);
    CMVXYGAEPZMOKZ-UHFFFAOYSA-N    		 Cn1ccc(NCc2cn[nH]c2C)n1; Cc1c(cn[nH]1)CN
    c2ccn(n2)C; Cn1nc(NCc2cn[NH]c2C)cc1    		 1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1H-pyrazol-3-amine
    14815 A1CFR 1 C8 H14 F3 N InChI=1S/C8H14F3N/c1-12-7
    -4-2-6(3-5-7)8(9,10)11/h6
    -7,12H,2-5H2,1H3/t6-,7-;
    QUUODNYZDCDMHQ-LJGSYFOKSA-N    		 CN[CH]1CC[CH](CC1)C(F)(F)F; CNC1CCC(CC1)
    C(F)(F)F; CN[C@H]1CC[C@@H](CC1)C(F)(F)F    		 (1r,4r)-N-methyl-4-(trifluoromethyl)cyclohexan-1-amine
    14816 A1CFS 2 C6 H9 N3 InChI=1S/C6H9N3/c1-2-9-6(
    8-1)5-3-7-4-5/h1-2,5,7H,3
    -4H2,(H,8,9);
    FUUJTHNKOCYTDT-UHFFFAOYSA-N    		 c1cnc([nH]1)C2CNC2; n1cc[NH]c1C1CNC1; C1
    NCC1c2[nH]ccn2    		 2-(azetidin-3-yl)-1H-imidazole
    14817 A1CFT
    CHEMBL4532756    		 2 C10 H10 F N3 InChI=1S/C10H10FN3/c11-8-
    3-1-7(2-4-8)9-6-13-10(5-1
    2)14-9/h1-4,6H,5,12H2,(H,
    13,14);
    AJSVWOCYSPNHEA-UHFFFAOYSA-N    		 NCc1[nH]c(cn1)c2ccc(F)cc2; NCc1ncc([NH]1
    )c1ccc(F)cc1; c1cc(ccc1c2cnc([nH]2)CN)F    		 1-[5-(4-fluorophenyl)-1H-imidazol-2-yl]methanamine
    14818 A1CFV
    CHEMBL4534453    		 1 C8 H12 N2 O2 InChI=1S/C8H12N2O2/c1-9-5
    -6-3-4-7(12-6)8(11)10-2/h
    3-4,9H,5H2,1-2H3,(H,10,11
    );
    NMODYIFATKWVQB-UHFFFAOYSA-N    		 CNCc1ccc(o1)C(=O)NC; CNCc1oc(cc1)C(=O)NC N-methyl-5-[(methylamino)methyl]furan-2-carboxamide
    14819 A1CFW 1 C7 H9 N S InChI=1S/C7H9NS/c1-6-2-3-
    7(9-6)4-5-8/h2-5H,8H2,1H3
    /b5-4+;
    MXSLNNGXMQLNAY-SNAWJCMRSA-N    		 Cc1sc(C=CN)cc1; Cc1ccc(s1)C=CN; Cc1ccc(s
    1)/C=C/N; Cc1sc(/C=C/N)cc1; Cc1ccc(\C=C\
    N)s1    		 (E)-2-(5-methylthiophen-2-yl)ethen-1-amine
    14820 A1CFX 1 C12 H12 N2 O InChI=1S/C12H12N2O/c15-11
    -5-3-4-10(8-11)9-14-12-6-
    1-2-7-13-12/h1-8,15H,9H2,
    (H,13,14);
    ZGLJYAOGVJLKLM-UHFFFAOYSA-N    		 Oc1cccc(CNc2ccccn2)c1; c1ccnc(c1)NCc2ccc
    c(c2)O    		 3-{[(pyridin-2-yl)amino]methyl}phenol
    14821 A1CFY 1 C7 H11 N3 InChI=1S/C7H11N3/c1-2-3-7
    -9-5-4-6(8)10-7/h4-5H,2-3
    H2,1H3,(H2,8,9,10);
    BTMCCOMLYMKBFL-UHFFFAOYSA-N    		 CCCc1nc(N)ccn1; CCCc1nccc(n1)N; CCCc1ncc
    c(N)n1    		 2-propylpyrimidin-4-amine
    14822 A1CFZ 2 C8 H14 N2 O InChI=1S/C8H14N2O/c11-8-5
    -9-6-3-1-2-4-7(6)10-8/h6-
    7,9H,1-5H2,(H,10,11)/t6-,
    7+/m0/s1;
    JPYREMMLJKWDCF-NKWVEPMBSA-N    		 O=C1CN[CH]2CCCC[CH]2N1; C1CC[C@@H]2[C@H]
    (C1)NCC(=O)N2; O=C1NC2CCCCC2NC1; O=C1CN[
    C@H]2CCCC[C@H]2N1; C1CCC2C(C1)NCC(=O)N2    		 (4aS,8aR)-octahydroquinoxalin-2(1H)-one
    14823 A1CG0 32 C44 H74 O15 InChI=1S/C44H74O15/c1-22-
    7-13-44(55-20-22)23(2)33-
    30(59-44)16-29-27-6-5-25-
    15-26(8-11-42(25,3)28(27)
    9-12-43(29,33)4)53-14-10-
    24(17-45)21-54-40-38(52)3
    6(50)39(32(19-47)57-40)58
    -41-37(51)35(49)34(48)31(
    18-46)56-41/h22-41,45-52H
    ,5-21H2,1-4H3/t22-,23+,24
    -,25+,26+,27-,28+,29+,30+
    ,31-,32-,33+,34-,35+,36-,
    37-,38-,39-,40-,41-,42+,4
    3+,44-/m1/s1;
    WVVNJMRPVIVJJT-WHGCCSAPSA-N    		 C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C
    [C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6[C@
    @]5(CC[C@@H](C6)OCC[C@H](CO)CO[C@H]7[C@@
    H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@@
    H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O)C)
    C)C)OC1; OC1C(O)C(O)C(CO)OC1OC1C(O)C(O)C
    (OC1CO)OCC(CO)CCOC1CCC2(C)C(CCC3C2CCC2(C
    )C4C(CC32)OC2(CCC(C)CO2)C4C)C1; C[C@@H]1
    CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC[C@H
    ]6C[C@H](CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]
    3[C@@H]2C)OCC[C@H](CO)CO[C@@H]7O[C@H](CO
    )[C@@H](O[C@H]8O[C@H](CO)[C@@H](O)[C@H](
    O)[C@H]8O)[C@H](O)[C@H]7O; C[CH]1CC[C]2(
    OC1)O[CH]3C[CH]4[CH]5CC[CH]6C[CH](CC[C]6
    (C)[CH]5CC[C]4(C)[CH]3[CH]2C)OCC[CH](CO)
    CO[CH]7O[CH](CO)[CH](O[CH]8O[CH](CO)[CH]
    (O)[CH](O)[CH]8O)[CH](O)[CH]7O; CC1CCC2(
    C(C3C(O2)CC4C3(CCC5C4CCC6C5(CCC(C6)OCCC(
    CO)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)CO)O)
    O)O)O)O)C)C)C)OC1    		 (2R)-2-(hydroxymethyl)-4-{[(10xi,13xi,22xi,25R)-5beta,14beta,17beta-spirostan-3beta-yl]oxy}butyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
    14824 A1CG3 2 C9 H9 N5 O4 InChI=1S/C9H9N5O4/c1-2(8(
    17)18)4-5(15)3-6(14-13-4)
    11-9(10)12-7(3)16/h2H,1H3
    ,(H,17,18)(H4,10,11,12,14
    ,15,16)/t2-/m0/s1;
    GMTZUGVMBRNPHI-REOHCLBHSA-N    		 C[C@@H](C1=NNC2=C(C1=O)C(=O)NC(=N2)N)C(=
    O)O; C[C@H](C(O)=O)C1=NNC2=C(C(=O)NC(=N2
    )N)C1=O; C[CH](C(O)=O)C1=NNC2=C(C(=O)NC(
    =N2)N)C1=O; O=C(O)C(C)C1=NNC=2N=C(N)NC(=
    O)C=2C1=O; CC(C1=NNC2=C(C1=O)C(=O)NC(=N2
    )N)C(=O)O    		 (2S)-2-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)propanoic acid
    14825 A1CG4 5 C34 H33 F6 N7 O3 S InChI=1S/C34H33F6N7O3S/c1
    -3-47(18-7-10-45(15-18)32
    (48)49-2)30-20-11-22(34(3
    8,39)40)25(19-5-6-23(36)2
    8-24(19)21(13-41)29(42)51
    -28)26(37)27(20)43-31(44-
    30)50-16-33-8-4-9-46(33)1
    4-17(35)12-33/h5-6,11,17-
    18H,3-4,7-10,12,14-16,42H
    2,1-2H3/t17-,18+,33+/m1/s
    1;
    VJMZMAQRBQSNHW-AXZPFCHASA-N    		 O=C(OC)N1CCC(C1)N(CC)c1nc(OCC23CCCN3CC(F
    )C2)nc2c1cc(c(c1ccc(F)c3sc(N)c(C#N)c13)c
    2F)C(F)(F)F; CCN(c1c2cc(c(c(c2nc(n1)OC[C
    @@]34CCCN3C[C@@H](C4)F)F)c5ccc(c6c5c(c(s
    6)N)C#N)F)C(F)(F)F)[C@H]7CCN(C7)C(=O)OC;
    CCN([C@H]1CCN(C1)C(=O)OC)c2nc(OC[C@@]34
    CCCN3C[C@H](F)C4)nc5c(F)c(c6ccc(F)c7sc(N
    )c(C#N)c67)c(cc25)C(F)(F)F; CCN(c1c2cc(c
    (c(c2nc(n1)OCC34CCCN3CC(C4)F)F)c5ccc(c6c
    5c(c(s6)N)C#N)F)C(F)(F)F)C7CCN(C7)C(=O)O
    C; CCN([CH]1CCN(C1)C(=O)OC)c2nc(OC[C]34C
    CCN3C[CH](F)C4)nc5c(F)c(c6ccc(F)c7sc(N)c
    (C#N)c67)c(cc25)C(F)(F)F    		 methyl (3S)-3-{[(7P)-7-(2-amino-3-cyano-7-fluoro-1-benzothiophen-4-yl)-8-fluoro-2-{[(2R,4R,7aS)-2-fluorotetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}-6-(trifluoromethyl)quinazolin-4-yl](ethyl)amino}pyrrolidine-1-carboxylate
    14826 A1CG5
    CHEMBL482091    		 4 C18 H15 O P InChI=1S/C18H15OP/c19-20(
    16-10-4-1-5-11-16,17-12-6
    -2-7-13-17)18-14-8-3-9-15
    -18/h1-15H;
    FIQMHBFVRAXMOP-UHFFFAOYSA-N    		 c1ccc(cc1)P(=O)(c2ccccc2)c3ccccc3; O=P(c
    1ccccc1)(c1ccccc1)c1ccccc1; O=[P](c1cccc
    c1)(c2ccccc2)c3ccccc3    		 oxotri(phenyl)-lambda~5~-phosphane
    14827 A1CG7 2 C9 H10 N10 O2 InChI=1S/C9H10N10O2/c1-19
    -6-4(7(21)13-8(10)12-6)5(
    20)3(16-19)2-11-9-14-17-1
    8-15-9/h2H2,1H3,(H3,10,12
    ,13,21)(H2,11,14,15,17,18
    );
    HPEOIAAOXXIKAO-UHFFFAOYSA-N    		 CN1N=C(CNc2[nH]nnn2)C(=O)C3=C1N=C(N)NC3=
    O; CN1C2=C(C(=O)C(=N1)CNc3[nH]nnn3)C(=O)
    NC(=N2)N; O=C1C(=NN(C)C=2N=C(N)NC(=O)C1=
    2)CNc1nnn[NH]1    		 7-amino-1-methyl-3-{[(1H-tetrazol-5-yl)amino]methyl}pyrimido[4,5-c]pyridazine-4,5(1H,6H)-dione
    14828 A1CG8 1 C24 H32 F3 N5 O4 InChI=1S/C24H32F3N5O4/c1-
    22(2,3)18(31-21(35)24(25,
    26)27)20(34)32-11-14-16(2
    3(14,4)5)17(32)19(33)30-1
    5(8-28)12-7-13(36-6)10-29
    -9-12/h7-10,14-18,28H,11H
    2,1-6H3,(H,30,33)(H,31,35
    )/b28-8-/t14-,15+,16-,17-
    ,18+/m0/s1;
    ATTSVIKVVHABCD-VCLVVCANSA-N    		 COc1cncc(c1)[C@H](NC(=O)[C@@H]2[C@@H]3[C
    @H](CN2C(=O)[C@@H](NC(=O)C(F)(F)F)C(C)(C
    )C)C3(C)C)C=N; CC1(C2C1C(N(C2)C(=O)C(C(C
    )(C)C)NC(=O)C(F)(F)F)C(=O)NC(C=N)c3cc(cn
    c3)OC)C; [H]/N=C\[C@H](c1cc(cnc1)OC)NC(=
    O)[C@@H]2[C@@H]3[C@@H](C3(C)C)CN2C(=O)[C
    @H](C(C)(C)C)NC(=O)C(F)(F)F; CC1(C)C2C(C
    (=O)NC(C=N)c3cc(OC)cnc3)N(CC21)C(=O)C(NC
    (=O)C(F)(F)F)C(C)(C)C; COc1cncc(c1)[CH](
    NC(=O)[CH]2[CH]3[CH](CN2C(=O)[CH](NC(=O)
    C(F)(F)F)C(C)(C)C)C3(C)C)C=N    		 (1R,2S,5S)-N-[(1S,2Z)-2-imino-1-(5-methoxypyridin-3-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
    14829 A1CG9 2 C18 H14 Br N3 O InChI=1S/C18H14BrN3O/c1-1
    2-6-2-3-8-14(12)20-18-16(
    15-9-5-11-23-15)21-17-13(
    19)7-4-10-22(17)18/h2-11,
    20H,1H3;
    SHDJKACIDYOZNA-UHFFFAOYSA-N    		 Cc1ccccc1Nc1n2cccc(Br)c2nc1c1ccco1; Cc1c
    cccc1Nc2c(nc3n2cccc3Br)c4ccco4; Cc1ccccc
    1Nc2n3cccc(Br)c3nc2c4occc4    		 (4R)-8-bromo-2-(furan-2-yl)-N-(2-methylphenyl)imidazo[1,2-a]pyridin-3-amine
    14830 A1CGC 12 C20 H14 N4 O2 InChI=1S/C20H14N4O2/c25-1
    9(7-4-14-8-11-21-12-9-14)
    23-15-5-6-18-17(13-15)24-
    20(26-18)16-3-1-2-10-22-1
    6/h1-13H,(H,23,25)/b7-4+;
    YTYCOCGXXYZNCR-QPJJXVBHSA-N    		 c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)/C=C/c4cc
    ncc4; O=C(Nc1ccc2oc(nc2c1)c3ccccn3)C=Cc4
    ccncc4; c1ccnc(c1)c2nc3cc(ccc3o2)NC(=O)C
    =Cc4ccncc4; O=C(Nc1ccc2oc(nc2c1)c3ccccn3
    )/C=C/c4ccncc4; O=C(/C=C/c1ccncc1)Nc1cc2
    nc(oc2cc1)c1ccccn1    		 (2E)-3-(pyridin-4-yl)-N-[2-(pyridin-2-yl)-1,3-benzoxazol-5-yl]prop-2-enamide
    14831 A1CGG 11 C21 H16 N4 O2 InChI=1S/C21H16N4O2/c1-14
    -3-2-10-23-20(14)21-25-17
    -13-16(5-6-18(17)27-21)24
    -19(26)7-4-15-8-11-22-12-
    9-15/h2-13H,1H3,(H,24,26)
    /b7-4-;
    XHCBDVCQCRENEB-DAXSKMNVSA-N    		 Cc1cccnc1c2oc3ccc(NC(=O)C=Cc4ccncc4)cc3n
    2; Cc1cccnc1c2nc3cc(ccc3o2)NC(=O)C=Cc4cc
    ncc4; Cc1cccnc1c2nc3cc(ccc3o2)NC(=O)/C=C
    \c4ccncc4; Cc1cccnc1c2oc3ccc(NC(=O)\C=C/
    c4ccncc4)cc3n2; Cc1cccnc1c1nc2cc(ccc2o1)
    NC(=O)\C=C/c1ccncc1    		 (2Z)-N-[2-(3-methylpyridin-2-yl)-1,3-benzoxazol-5-yl]-3-(pyridin-4-yl)prop-2-enamide
    14832 A1CGJ 0 C23 H30 N13 O12 P2 InChI=1S/C23H29N13O12P2/c
    24-21-29-17-15(19(39)31-2
    1)27-7-33(17)13-3-9(37)11
    (47-13)5-45-49(41,42)35-1
    -2-36(23(35)26)50(43,44)4
    6-6-12-10(38)4-14(48-12)3
    4-8-28-16-18(34)30-22(25)
    32-20(16)40/h1-2,7-14,26,
    37-38H,3-6H2,(H8,24,25,29
    ,30,31,32,39,40,41,42,43,
    44)/p+1/t9-,10-,11+,12+,1
    3+,14+/m0/s1;
    BXQAVRYERMHLCD-PRSXHHODSA-O    		 c1c[n+](c(n1P(=O)(O)OCC2C(CC(O2)n3cnc4c3
    N=C(NC4=O)N)O)N)P(=O)(O)OCC5C(CC(O5)n6cn
    c7c6N=C(NC7=O)N)O; NC1=Nc2n(cnc2C(=O)N1)
    [CH]3C[CH](O)[CH](CO[P](O)(=O)n4cc[n+](c
    4N)[P](O)(=O)OC[CH]5O[CH](C[CH]5O)n6cnc7
    C(=O)NC(=Nc67)N)O3; NC1=Nc2c(ncn2C2CC(O)
    C(O2)COP(=O)(O)[n+]2ccn(c2N)P(=O)(O)OCC2
    OC(CC2O)n2cnc3c2N=C(N)NC3=O)C(=O)N1; NC1
    =Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](
    CO[P](O)(=O)n4cc[n+](c4N)[P](O)(=O)OC[C@
    H]5O[C@H](C[C@@H]5O)n6cnc7C(=O)NC(=Nc67)
    N)O3; c1c[n+](c(n1P(=O)(O)OC[C@@H]2[C@H]
    (C[C@@H](O2)n3cnc4c3N=C(NC4=O)N)O)N)P(=O
    )(O)OC[C@@H]5[C@H](C[C@@H](O5)n6cnc7c6N=
    C(NC7=O)N)O    		 2-amino-1-[(R)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-3-[(S)-{[(2R,3S,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]-1H-imidazol-3-ium (non-preferred name)
    14833 A1CGK
    CHEMBL4848002    		 2 C24 H22 F2 N6 O3 InChI=1S/C24H22F2N6O3/c1-
    14-5-4-9-31(21(14)24(33)3
    4)23-17(26)12-27-22(28-23
    )19-11-20(18-8-10-35-30-1
    8)32(29-19)13-15-6-2-3-7-
    16(15)25/h2-3,6-8,10-12,1
    4,21H,4-5,9,13H2,1H3,(H,3
    3,34)/t14-,21+/m1/s1;
    OREKZCCNTFVURN-SZNDQCEHSA-N    		 C[CH]1CCCN([CH]1C(O)=O)c2nc(ncc2F)c3cc(n
    (Cc4ccccc4F)n3)c5ccon5; C[C@@H]1CCCN([C@
    @H]1C(O)=O)c2nc(ncc2F)c3cc(n(Cc4ccccc4F)
    n3)c5ccon5; CC1CCCN(C1C(=O)O)c2c(cnc(n2)
    c3cc(n(n3)Cc4ccccc4F)c5ccon5)F; C[C@@H]1
    CCCN([C@@H]1C(=O)O)c2c(cnc(n2)c3cc(n(n3)
    Cc4ccccc4F)c5ccon5)F; O=C(O)C1C(C)CCCN1c
    1nc(ncc1F)c1nn(Cc2ccccc2F)c(c1)c1ccon1    		 (2S,3R)-1-{5-fluoro-2-[(5P)-1-[(2-fluorophenyl)methyl]-5-(1,2-oxazol-3-yl)-1H-pyrazol-3-yl]pyrimidin-4-yl}-3-methylpiperidine-2-carboxylic acid
    14834 A1CGN
    CHEMBL4578649    		 2 C6 H12 N2 O InChI=1S/C6H12N2O/c1-2-8-
    6(9)5-3-7-4-5/h5,7H,2-4H2
    ,1H3,(H,8,9);
    RAHNPTRKBMUQRM-UHFFFAOYSA-N    		 CCNC(=O)C1CNC1 N-ethylazetidine-3-carboxamide
    14835 A1CGO 1 C7 H9 N3 O InChI=1S/C7H9N3O/c1-5(11)
    10-6-3-2-4-9-7(6)8/h2-4H,
    1H3,(H2,8,9)(H,10,11);
    HMDOCRZUNBZAGA-UHFFFAOYSA-N    		 Nc1ncccc1NC(C)=O; CC(=O)Nc1cccnc1N N-(2-aminopyridin-3-yl)acetamide
    14836 A1CGP 1 C9 H13 N O S InChI=1S/C9H13NOS/c11-5-8
    -3-10-4-9(8)7-1-2-12-6-7/
    h1-2,6,8-11H,3-5H2/t8-,9-
    /m1/s1;
    SWXORFHOLPJLTG-RKDXNWHRSA-N    		 c1cscc1[C@H]2CNC[C@@H]2CO; OCC1CNCC1c1cc
    sc1; c1cscc1C2CNCC2CO; OC[C@H]1CNC[C@@H]
    1c2cscc2; OC[CH]1CNC[CH]1c2cscc2    		 [(3R,4S)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol
    14837 A1CGQ 1 C9 H13 N O S InChI=1S/C9H13NOS/c11-5-8
    -3-10-4-9(8)7-1-2-12-6-7/
    h1-2,6,8-11H,3-5H2/t8-,9-
    /m0/s1;
    SWXORFHOLPJLTG-IUCAKERBSA-N    		 OC[C@@H]1CNC[C@H]1c2cscc2; OCC1CNCC1c1cc
    sc1; c1cscc1C2CNCC2CO; c1cscc1[C@@H]2CNC
    [C@H]2CO; OC[CH]1CNC[CH]1c2cscc2    		 [(3S,4R)-4-(thiophen-3-yl)pyrrolidin-3-yl]methanol
    14838 A1CGR 1 C14 H20 N2 O4 S InChI=1S/C14H20N2O4S/c1-2
    1(18,19)13-4-2-11(3-5-13)
    8-15-14(17)16-9-12-6-7-20
    -10-12/h2-5,12H,6-10H2,1H
    3,(H2,15,16,17)/t12-/m1/s
    1;
    KXBPKQJBIPGTRF-GFCCVEGCSA-N    		 CS(=O)(=O)c1ccc(cc1)CNC(=O)NCC2CCOC2; C[
    S](=O)(=O)c1ccc(CNC(=O)NC[C@H]2CCOC2)cc1
    ; CS(=O)(=O)c1ccc(cc1)CNC(=O)NC[C@H]2CCO
    C2; C[S](=O)(=O)c1ccc(CNC(=O)NC[CH]2CCOC
    2)cc1; O=C(NCC1CCOC1)NCc1ccc(cc1)S(C)(=O
    )=O    		 N-{[4-(methanesulfonyl)phenyl]methyl}-N'-{[(3R)-oxolan-3-yl]methyl}urea
    14839 A1CGS 1 C11 H16 Cl N O InChI=1S/C11H16ClNO/c1-3-
    13-6-7-14-10-4-5-11(12)9(
    2)8-10/h4-5,8,13H,3,6-7H2
    ,1-2H3;
    JETZEQAXQGLWPD-UHFFFAOYSA-N    		 CCNCCOc1ccc(Cl)c(C)c1; Cc1cc(OCCNCC)ccc1
    Cl; CCNCCOc1ccc(c(c1)C)Cl    		 2-(4-chloro-3-methylphenoxy)-N-ethylethan-1-amine
    14840 A1CGT 2 C14 H18 F N3 InChI=1S/C14H18FN3/c1-12(
    17-7-3-6-15)13-4-2-5-14(1
    0-13)18-9-8-16-11-18/h2,4
    -5,8-12,17H,3,6-7H2,1H3/t
    12-/m1/s1;
    FEBIPSXCUUTCKH-GFCCVEGCSA-N    		 CC(NCCCF)c1cccc(c1)n1ccnc1; C[CH](NCCCF)
    c1cccc(c1)n2ccnc2; C[C@@H](NCCCF)c1cccc(
    c1)n2ccnc2; C[C@H](c1cccc(c1)n2ccnc2)NCC
    CF; CC(c1cccc(c1)n2ccnc2)NCCCF    		 3-fluoro-N-{(1R)-1-[(3P)-3-(1H-imidazol-1-yl)phenyl]ethyl}propan-1-amine
    14841 A1CGV 1 C17 H21 N O2 InChI=1S/C17H21NO2/c1-2-1
    8-12-13-19-16-8-10-17(11-
    9-16)20-14-15-6-4-3-5-7-1
    5/h3-11,18H,2,12-14H2,1H3;
    DLYGRQINMSKZKQ-UHFFFAOYSA-N    		 CCNCCOc1ccc(cc1)OCc2ccccc2; CCNCCOc1ccc(
    OCc2ccccc2)cc1; CCNCCOc1ccc(cc1)OCc1cccc
    c1    		 2-[4-(benzyloxy)phenoxy]-N-ethylethan-1-amine
    14842 A1CGW
    CHEMBL4863993    		 24 C11 H7 Cl2 N3 S2 InChI=1S/C11H7Cl2N3S2/c12
    -7-1-6-3-16-18-9(6)2-8(7)
    14-5-11-15-4-10(13)17-11/
    h1-4,14H,5H2;
    GFNMKESSHVFPQM-UHFFFAOYSA-N    		 Clc1cnc(s1)CNc1cc2sncc2cc1Cl; c1c2cnsc2c
    c(c1Cl)NCc3ncc(s3)Cl; Clc1sc(CNc2cc3sncc
    3cc2Cl)nc1    		 5-chloro-N-[(5-chloro-1,3-thiazol-2-yl)methyl]-1,2-benzothiazol-6-amine
    14843 A1CGZ
    CHEMBL43871    		 16 C27 H44 O3 InChI=1S/C27H44O3/c1-16-7
    -12-27(29-15-16)17(2)24-2
    3(30-27)14-22-20-6-5-18-1
    3-19(28)8-10-25(18,3)21(2
    0)9-11-26(22,24)4/h16-24,
    28H,5-15H2,1-4H3/t16-,17+
    ,18+,19+,20-,21+,22+,23+,
    24+,25+,26+,27-/m1/s1;
    GMBQZIIUCVWOCD-MFRNJXNGSA-N    		 C[CH]1CC[C]2(OC1)O[CH]3C[CH]4[CH]5CC[CH]
    6C[CH](O)CC[C]6(C)[CH]5CC[C]4(C)[CH]3[CH
    ]2C; C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4
    [C@@H]5CC[C@H]6C[C@@H](O)CC[C@]6(C)[C@H]
    5CC[C@]4(C)[C@H]3[C@@H]2C; CC1CCC2(C(C3C
    (O2)CC4C3(CCC5C4CCC6C5(CCC(C6)O)C)C)C)OC
    1; C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O
    2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@@H]6
    [C@@]5(CC[C@@H](C6)O)C)C)C)OC1; CC1C2C(C
    C3C4CCC5CC(O)CCC5(C)C4CCC23C)OC21CCC(C)C
    O2    		 Tigogenin
    14844 A1CH1
    CHEMBL6068520    		 1 C24 H30 N6 O4 InChI=1S/C24H30N6O4/c1-13
    -12-30(5)28-15(13)22(24(2
    )9-6-7-10-24)27-17-16(20(
    32)21(17)33)26-14-8-11-25
    -18(19(14)31)23(34)29(3)4
    /h8,11-12,22,27,31H,6-7,9
    -10H2,1-5H3,(H,25,26)/t22
    -/m0/s1;
    WZBSYWCLIMRAHO-QFIPXVFZSA-N    		 Cc1cn(nc1[C@@H](C2(CCCC2)C)NC3=C(C(=O)C3
    =O)Nc4ccnc(c4O)C(=O)N(C)C)C; Cn1cc(C)c(n
    1)C(NC1=C(Nc2ccnc(C(=O)N(C)C)c2O)C(=O)C1
    =O)C1(C)CCCC1; Cc1cn(nc1C(C2(CCCC2)C)NC3
    =C(C(=O)C3=O)Nc4ccnc(c4O)C(=O)N(C)C)C; C
    N(C)C(=O)c1nccc(NC2=C(N[CH](c3nn(C)cc3C)
    C4(C)CCCC4)C(=O)C2=O)c1O; CN(C)C(=O)c1nc
    cc(NC2=C(N[C@@H](c3nn(C)cc3C)C4(C)CCCC4)
    C(=O)C2=O)c1O    		 4-[(2-{[(R)-(1,4-dimethyl-1H-pyrazol-3-yl)(1-methylcyclopentyl)methyl]amino}-3,4-dioxocyclobut-1-en-1-yl)amino]-3-hydroxy-N,N-dimethylpyridine-2-carboxamide
    14845 A1CH2 2 C21 H21 F2 N5 O3 InChI=1S/C21H21F2N5O3/c1-
    25-20(30)28-7-4-15(13-18(
    28)24-25)27-10-11-31-17-1
    2-14(2-3-16(17)27)19(29)2
    6-8-5-21(22,23)6-9-26/h2-
    4,7,12-13H,5-6,8-11H2,1H3;
    BSUIDNIGESUTFD-UHFFFAOYSA-N    		 CN1N=C2C=C(C=CN2C1=O)N3CCOc4cc(ccc34)C(=
    O)N5CCC(F)(F)CC5; CN1C(=O)N2C=CC(=CC2=N1
    )N3CCOc4c3ccc(c4)C(=O)N5CCC(CC5)(F)F; FC
    1(F)CCN(CC1)C(=O)c1ccc2c(c1)OCCN2C1=CC2=
    NN(C)C(=O)N2C=C1    		 (4S)-7-[7-(4,4-difluoropiperidine-1-carbonyl)-2,3-dihydro-4H-1,4-benzoxazin-4-yl]-2-methyl[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
    14846 A1CH3 1 C21 H19 N3 O InChI=1S/C21H19N3O/c22-12
    -15-9-10-18(19(11-15)16-5
    -2-1-3-6-16)21-20(25)8-4-
    7-17-13-23-14-24(17)21/h1
    -3,5-6,9-11,13-14,20-21,2
    5H,4,7-8H2/t20-,21-/m0/s1;
    YJXOYLFTOJVXJZ-SFTDATJTSA-N    		 N#Cc1ccc(C2C(O)CCCc3cncn32)c(c1)c1ccccc1
    ; c1ccc(cc1)c2cc(ccc2[C@H]3[C@H](CCCc4n3
    cnc4)O)C#N; c1ccc(cc1)c2cc(ccc2C3C(CCCc4
    n3cnc4)O)C#N; O[CH]1CCCc2cncn2[CH]1c3ccc
    (cc3c4ccccc4)C#N; O[C@H]1CCCc2cncn2[C@H]
    1c3ccc(cc3c4ccccc4)C#N    		 6-[(4R,5S,6S)-6-hydroxy-6,7,8,9-tetrahydro-5H-imidazo[1,5-a]azepin-5-yl][1,1'-biphenyl]-3-carbonitrile
    14847 A1CH4 19 C27 H25 F2 N3 O4 InChI=1S/C27H25F2N3O4/c1-
    32(20-3-6-22(36-2)7-4-20)
    27(35)25(11-16-9-18(28)13
    -19(29)10-16)31-26(34)12-
    17-15-30-24-8-5-21(33)14-
    23(17)24/h3-10,13-15,25,3
    0,33H,11-12H2,1-2H3,(H,31
    ,34)/t25-/m0/s1;
    SNPJVLHULLMEKE-VWLOTQADSA-N    		 CN(c1ccc(cc1)OC)C(=O)[C@H](Cc2cc(cc(c2)F
    )F)NC(=O)Cc3c[nH]c4c3cc(cc4)O; CN(c1ccc(
    cc1)OC)C(=O)C(Cc2cc(cc(c2)F)F)NC(=O)Cc3c
    [nH]c4c3cc(cc4)O; COc1ccc(cc1)N(C)C(=O)[
    C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc3c[nH]c4ccc
    (O)cc34; COc1ccc(cc1)N(C)C(=O)[CH](Cc2cc
    (F)cc(F)c2)NC(=O)Cc3c[nH]c4ccc(O)cc34; C
    Oc1ccc(cc1)N(C)C(=O)C(Cc1cc(F)cc(F)c1)NC
    (=O)Cc1c[NH]c2ccc(O)cc21    		 3,5-difluoro-Nalpha-[(5-hydroxy-1H-indol-3-yl)acetyl]-N-(4-methoxyphenyl)-N-methyl-L-phenylalaninamide
    14848 A1CH5
    CHEMBL5619879    		 21 C29 H22 Cl F2 N3 O2 InChI=1S/C29H22ClF2N3O2/c
    30-20-5-3-18(4-6-20)24-2-
    1-9-33-29(24)27(12-17-10-
    21(31)14-22(32)11-17)35-2
    8(37)13-19-16-34-26-8-7-2
    3(36)15-25(19)26/h1-11,14
    -16,27,34,36H,12-13H2,(H,
    35,37)/t27-/m0/s1;
    VWDVTOLVWGUBLC-MHZLTWQESA-N    		 Oc1ccc2[nH]cc(CC(=O)N[CH](Cc3cc(F)cc(F)c
    3)c4ncccc4c5ccc(Cl)cc5)c2c1; Clc1ccc(cc1
    )c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cc1c[NH
    ]c2ccc(O)cc21; c1cc(c(nc1)C(Cc2cc(cc(c2)
    F)F)NC(=O)Cc3c[nH]c4c3cc(cc4)O)c5ccc(cc5
    )Cl; Oc1ccc2[nH]cc(CC(=O)N[C@@H](Cc3cc(F
    )cc(F)c3)c4ncccc4c5ccc(Cl)cc5)c2c1; c1cc
    (c(nc1)[C@H](Cc2cc(cc(c2)F)F)NC(=O)Cc3c[
    nH]c4c3cc(cc4)O)c5ccc(cc5)Cl    		 N-[(1S)-1-[3-(4-chlorophenyl)pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide
    14849 A1CH6 10 C30 H21 F8 N5 O2 InChI=1S/C30H21F8N5O2/c31
    -15-6-13(7-16(32)10-15)8-
    22(25-17(2-1-5-40-25)14-3
    -4-21(33)19(9-14)28(39)45
    )41-23(44)12-43-27-24(26(
    42-43)30(36,37)38)18-11-2
    0(18)29(27,34)35/h1-7,9-1
    0,18,20,22H,8,11-12H2,(H2
    ,39,45)(H,41,44)/t18-,20+
    ,22-/m0/s1;
    OSOVZKZMIGRTGM-DWLFOUALSA-N    		 c1cc(c(nc1)C(Cc2cc(cc(c2)F)F)NC(=O)Cn3c4
    c(c(n3)C(F)(F)F)C5CC5C4(F)F)c6ccc(c(c6)C
    (=O)N)F; NC(=O)c1cc(ccc1F)c2cccnc2[C@H](
    Cc3cc(F)cc(F)c3)NC(=O)Cn4nc(c5[C@H]6C[C@
    H]6C(F)(F)c45)C(F)(F)F; NC(=O)c1cc(ccc1F
    )c1cccnc1C(Cc1cc(F)cc(F)c1)NC(=O)Cn1nc(c
    2c1C(F)(F)C1CC12)C(F)(F)F; c1cc(c(nc1)[C
    @H](Cc2cc(cc(c2)F)F)NC(=O)Cn3c4c(c(n3)C(
    F)(F)F)[C@H]5C[C@H]5C4(F)F)c6ccc(c(c6)C(
    =O)N)F; NC(=O)c1cc(ccc1F)c2cccnc2[CH](Cc
    3cc(F)cc(F)c3)NC(=O)Cn4nc(c5[CH]6C[CH]6C
    (F)(F)c45)C(F)(F)F    		 (5M)-5-{2-[(1S)-2-(3,5-difluorophenyl)-1-{2-[(3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl]acetamido}ethyl]pyridin-3-yl}-2-fluorobenzamide
    14850 A1CH7 22 C25 H26 F3 N5 O2 InChI=1S/C25H26F3N5O2/c1-
    32(18-9-3-2-4-10-18)24(35
    )20(14-17-8-7-13-29-15-17
    )30-22(34)16-33-21-12-6-5
    -11-19(21)23(31-33)25(26,
    27)28/h2-4,7-10,13,15,20H
    ,5-6,11-12,14,16H2,1H3,(H
    ,30,34)/t20-/m0/s1;
    GYIHHZGKBJKUEO-FQEVSTJZSA-N    		 CN(C(=O)[CH](Cc1cccnc1)NC(=O)Cn2nc(c3CCC
    Cc23)C(F)(F)F)c4ccccc4; CN(c1ccccc1)C(=O
    )C(Cc2cccnc2)NC(=O)Cn3c4c(c(n3)C(F)(F)F)
    CCCC4; CN(c1ccccc1)C(=O)[C@H](Cc2cccnc2)
    NC(=O)Cn3c4c(c(n3)C(F)(F)F)CCCC4; CN(C(=
    O)[C@H](Cc1cccnc1)NC(=O)Cn2nc(c3CCCCc23)
    C(F)(F)F)c4ccccc4; CN(c1ccccc1)C(=O)C(Cc
    1cccnc1)NC(=O)Cn1nc(c2CCCCc21)C(F)(F)F    		 N-methyl-N-phenyl-3-(pyridin-3-yl)-N~2~-{[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetyl}-L-alaninamide
    14851 A1CHB 2 C20 H21 F2 N3 O2 S2 InChI=1S/C20H21F2N3O2S2/c
    1-12-19(29(3,23)27)28-20(
    24-12)25(2)18(26)10-13-4-
    6-14(7-5-13)16-11-15(21)8
    -9-17(16)22/h4-9,11,27H,1
    0,23H2,1-3H3;
    XMZIBPDSCWYNDP-UHFFFAOYSA-N    		 Cc1c(sc(n1)N(C)C(=O)Cc2ccc(cc2)c3cc(ccc3
    F)F)S(C)(N)O; Cc1c(sc(n1)N(C)C(=O)Cc2ccc
    (cc2)c3cc(ccc3F)F)[S@@](C)(N)O; CN(C(=O)
    Cc1ccc(cc1)c2cc(F)ccc2F)c3sc(c(C)n3)[S](
    C)(N)O; Cc1nc(sc1S(C)(N)O)N(C)C(=O)Cc1cc
    c(cc1)c1cc(F)ccc1F; CN(C(=O)Cc1ccc(cc1)c
    2cc(F)ccc2F)c3sc(c(C)n3)[S@](C)(N)O    		 N-{5-[(R)-amino(hydroxy)(methyl)-lambda~4~-sulfanyl]-4-methyl-1,3-thiazol-2-yl}-2-(2',5'-difluoro[1,1'-biphenyl]-4-yl)-N-methylacetamide
    14852 A1CHD 2 C29 H43 N3 O6 InChI=1S/C29H43N3O6/c1-7-
    9-11-16-24(33)32-25(19(5)
    21-14-12-10-13-15-21)28(3
    6)31-23(17-18(3)4)26(34)2
    2(8-2)27(35)30-20(6)29(37
    )38/h10-16,18-20,22-23,25
    H,7-9,17H2,1-6H3,(H,30,35
    )(H,31,36)(H,32,33)(H,37,
    38)/b16-11-/t19-,20-,22+,
    23-,25-/m0/s1;
    RLZOIFMWYUSYDW-GSIIADGDSA-N    		 CCCC=CC(=O)NC(C(C)c1ccccc1)C(=O)NC(CC(C)
    C)C(=O)C(CC)C(=O)NC(C)C(=O)O; O=C(O)C(C)
    NC(=O)C(CC)C(=O)C(CC(C)C)NC(=O)C(NC(=O)/
    C=C\CCC)C(C)c1ccccc1; CCC\C=C/C(=O)N[C@@
    H]([C@@H](C)c1ccccc1)C(=O)N[C@@H](CC(C)C
    )C(=O)[C@@H](CC)C(=O)N[C@@H](C)C(O)=O; C
    CC/C=C\C(=O)N[C@@H]([C@@H](C)c1ccccc1)C(
    =O)N[C@@H](CC(C)C)C(=O)[C@@H](CC)C(=O)N[
    C@@H](C)C(=O)O; CCCC=CC(=O)N[CH]([CH](C)
    c1ccccc1)C(=O)N[CH](CC(C)C)C(=O)[CH](CC)
    C(=O)N[CH](C)C(O)=O    		 N-[(2R,4S)-2-ethyl-4-({(betaS)-N-[(2Z)-hex-2-enoyl]-beta-methyl-L-phenylalanyl}amino)-6-methyl-3-oxoheptanoyl]-L-alanine
    14853 A1CHF 12 C25 H32 F5 N5 O4 InChI=1S/C25H32F5N5O4/c1-
    23(2,3)18(34-22(39)25(28,
    29)30)21(38)35-10-13-14-4
    -5-15(24(14,26)27)16(13)1
    7(35)20(37)33-12(9-31)8-1
    1-6-7-32-19(11)36/h4-5,9,
    11-18,31H,6-8,10H2,1-3H3,
    (H,32,36)(H,33,37)(H,34,3
    9)/b31-9-/t11-,12+,13+,14
    -,15+,16+,17-,18+/m0/s1;
    BVAKDPSOHPXNPO-MPZOXFIESA-N    		 CC(C)(C)[C@H](NC(=O)C(F)(F)F)C(=O)N1C[C@
    H]2[C@H]([C@H]3C=C[C@@H]2C3(F)F)[C@H]1C(
    =O)N[C@H](C[C@@H]4CCNC4=O)C=N; CC(C)(C)C
    (C(=O)N1CC2C3C=CC(C2C1C(=O)NC(CC4CCNC4=O
    )C=N)C3(F)F)NC(=O)C(F)(F)F; FC(F)(F)C(=O
    )NC(C(=O)N1CC2C(C1C(=O)NC(C=N)CC1CCNC1=O
    )C1C=CC2C1(F)F)C(C)(C)C; [H]/N=C\[C@@H](
    C[C@@H]1CCNC1=O)NC(=O)[C@@H]2[C@@H]3[C@H
    ](CN2C(=O)[C@H](C(C)(C)C)NC(=O)C(F)(F)F)
    [C@@H]4C=C[C@H]3C4(F)F; CC(C)(C)[CH](NC(
    =O)C(F)(F)F)C(=O)N1C[CH]2[CH]([CH]3C=C[C
    H]2C3(F)F)[CH]1C(=O)N[CH](C[CH]4CCNC4=O)
    C=N    		 (1R,2R,3S,6S,7S)-4-[(2S)-3,3-dimethyl-2-(2,2,2-trifluoroacetamido)butanoyl]-10,10-difluoro-N-{(1E,2R)-1-imino-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-4-azatricyclo[5.2.1.0~2,6~]decane-3-carboxamide (non-preferred name)
    14854 A1CHN 1 C15 H16 F6 N4 O2 S InChI=1S/C15H16F6N4O2S/c1
    -27-7-10-23-25-9(12(15(19
    ,20)21)22-13(25)28-10)6-2
    4-5-8(4-11(24)26)2-3-14(1
    6,17)18/h8H,2-7H2,1H3/t8-
    /m0/s1;
    WZUOWEYSJYNQFH-QMMMGPOBSA-N    		 COCc1nn2c(c(nc2s1)C(F)(F)F)CN3CC(CC3=O)C
    CC(F)(F)F; COCc1nn2c(c(nc2s1)C(F)(F)F)CN
    3C[C@H](CC3=O)CCC(F)(F)F; COCc1sc2nc(c(C
    N3C[CH](CCC(F)(F)F)CC3=O)n2n1)C(F)(F)F;
    COCc1sc2nc(c(CN3C[C@@H](CCC(F)(F)F)CC3=O
    )n2n1)C(F)(F)F; FC(F)(F)CCC1CC(=O)N(C1)C
    c1c(nc2sc(COC)nn12)C(F)(F)F    		 (4S)-1-{[(4S)-2-(methoxymethyl)-6-(trifluoromethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methyl}-4-(3,3,3-trifluoropropyl)pyrrolidin-2-one
    14855 A1CHO 1 C24 H27 N5 O3 InChI=1S/C24H27N5O3/c25-2
    1-4-3-16-9-15(6-8-30)14(1
    0-19(16)28-21)1-2-17-11-2
    0(23(32)22(17)31)29-7-5-1
    8-12-26-13-27-24(18)29/h3
    -5,7,9-10,12-13,17,20,22-
    23,30-32H,1-2,6,8,11H2,(H
    2,25,28)/t17-,20+,22+,23-
    /m0/s1;
    XZLOKSDJSHSIIA-ZECSIRQKSA-N    		 Nc1ccc2cc(CCO)c(CC[CH]3C[CH]([CH](O)[CH]
    3O)n4ccc5cncnc45)cc2n1; Nc1ccc2cc(CCO)c(
    CC[C@H]3C[C@H]([C@H](O)[C@@H]3O)n4ccc5cn
    cnc45)cc2n1; c1cc(nc2c1cc(c(c2)CC[C@H]3C
    [C@H]([C@@H]([C@@H]3O)O)n4ccc5c4ncnc5)CC
    O)N; Nc1nc2cc(CCC3CC(C(O)C3O)n3ccc4cncnc
    43)c(CCO)cc2cc1; c1cc(nc2c1cc(c(c2)CCC3C
    C(C(C3O)O)n4ccc5c4ncnc5)CCO)N    		 (1S,2R,3S,5R)-3-{2-[2-amino-6-(2-hydroxyethyl)quinolin-7-yl]ethyl}-5-(7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclopentane-1,2-diol
    14856 A1CI0 2 C27 H26 Cl2 F2 N4 O4 InChI=1S/C27H26Cl2F2N4O4/
    c1-39-10-2-9-33-25(37)8-7
    -22-26(17-5-4-16(28)12-21
    (17)31)18(14-34-22)27(38)
    35-23(13-24(32)36)15-3-6-
    20(30)19(29)11-15/h3-8,11
    -12,14,23,34H,2,9-10,13H2
    ,1H3,(H2,32,36)(H,33,37)(
    H,35,38)/b8-7+/t23-/m0/s1;
    LYOVEJQNXMPQIE-MNQSQUENSA-N    		 COCCCNC(=O)/C=C/c1c(c(c[nH]1)C(=O)N[C@@H
    ](CC(=O)N)c2ccc(c(c2)Cl)F)c3ccc(cc3F)Cl;
    COCCCNC(=O)/C=C/c1[nH]cc(C(=O)N[C@@H](C
    C(N)=O)c2ccc(F)c(Cl)c2)c1c3ccc(Cl)cc3F;
    O=C(NC(CC(N)=O)c1ccc(F)c(Cl)c1)c1c[NH]c(
    /C=C/C(=O)NCCCOC)c1c1ccc(Cl)cc1F; COCCCN
    C(=O)C=Cc1c(c(c[nH]1)C(=O)NC(CC(=O)N)c2c
    cc(c(c2)Cl)F)c3ccc(cc3F)Cl; COCCCNC(=O)C
    =Cc1[nH]cc(C(=O)N[CH](CC(N)=O)c2ccc(F)c(
    Cl)c2)c1c3ccc(Cl)cc3F    		 (4P)-N-[(1S)-3-amino-1-(3-chloro-4-fluorophenyl)-3-oxopropyl]-4-(4-chloro-2-fluorophenyl)-5-{(1E)-3-[(3-methoxypropyl)amino]-3-oxoprop-1-en-1-yl}-1H-pyrrole-3-carboxamide
    14857 A1CI3
    CHEMBL4539596    		 1 C14 H13 N O4 InChI=1S/C14H13NO4/c1-2-8
    -5-3-4-6-9(8)10-7-11(16)1
    3(17)12(15-10)14(18)19/h3
    -7,17H,2H2,1H3,(H,15,16)(
    H,18,19);
    ZVOTZBNDSAQIRQ-UHFFFAOYSA-N    		 CCc1ccccc1c2cc(c(c(n2)C(=O)O)O)O; Oc1c(O
    )cc(nc1C(O)=O)c1ccccc1CC; CCc1ccccc1c2cc
    (O)c(O)c(n2)C(O)=O    		 (6M)-6-(2-ethylphenyl)-3,4-dihydroxypyridine-2-carboxylic acid
    14858 A1CI4
    CHEMBL4550646    		 2 C13 H11 N O4 S InChI=1S/C13H11NO4S/c1-19
    -10-5-3-2-4-7(10)8-6-9(15
    )12(16)11(14-8)13(17)18/h
    2-6,16H,1H3,(H,14,15)(H,1
    7,18);
    AZEGPEPFGDTWGW-UHFFFAOYSA-N    		 CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O; CSc
    1ccccc1C2=CC(=O)C(=C(N2)C(O)=O)O; OC=1C(
    =O)C=C(NC=1C(O)=O)c1ccccc1SC    		 (6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid
    14859 A1CI5
    CHEMBL4460007    		 3 C18 H13 N O5 InChI=1S/C18H13NO5/c20-14
    -10-13(19-16(17(14)21)18(
    22)23)12-8-4-5-9-15(12)24
    -11-6-2-1-3-7-11/h1-10,21
    H,(H,19,20)(H,22,23);
    KWCCWLKDJYAVCR-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccccc2C3=CC(=O)C(=C(N3)C(=O
    )O)O; OC=1C(=O)C=C(NC=1C(O)=O)c1ccccc1Oc
    1ccccc1; OC(=O)C1=C(O)C(=O)C=C(N1)c2cccc
    c2Oc3ccccc3    		 (6M)-3-hydroxy-4-oxo-6-(2-phenoxyphenyl)-1,4-dihydropyridine-2-carboxylic acid
    14860 A1CI6
    CHEMBL2087361
    DB11737    		 1 C22 H21 N3 O4 InChI=1S/C22H21N3O4/c1-2-
    16-4-3-5-17(12-16)25-22-1
    8-13-20-21(14-19(18)23-15
    -24-22)29-11-9-27-7-6-26-
    8-10-28-20/h1,3-5,12-15H,
    6-11H2,(H,23,24,25);
    QQLKULDARVNMAL-UHFFFAOYSA-N    		 C#Cc1cccc(Nc2ncnc3cc4OCCOCCOCCOc4cc23)c1
    ; C#Cc1cc(ccc1)Nc1ncnc2cc3OCCOCCOCCOc3cc
    21; C#Cc1cccc(c1)Nc2c3cc4c(cc3ncn2)OCCOC
    COCCO4    		 Icotinib;
    N-(3-ethynylphenyl)-7,8,10,11,13,14-hexahydro[1,4,7,10]tetraoxacyclododecino[2,3-g]quinazolin-4-amine
    14861 A1CI7
    CHEMBL1545550    		 2 C8 H10 N4 O S InChI=1S/C8H10N4OS/c1-2-3
    -14-8-10-6-5(4-9-12-6)7(1
    3)11-8/h4H,2-3H2,1H3,(H2,
    9,10,11,12,13);
    CNXWMVZWQIUZRK-UHFFFAOYSA-N    		 CCCSC1=Nc2c(cn[nH]2)C(=O)N1; CCCSC1=Nc2[
    nH]ncc2C(=O)N1; CCCSC1=Nc2[NH]ncc2C(=O)N
    1    		 6-(propylsulfanyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
    14862 A1CI8 2 C10 H9 N O2 S InChI=1S/C10H9NO2S/c12-9-
    6-8(14-10(13)11-9)7-4-2-1
    -3-5-7/h1-5,8H,6H2,(H,11,
    12,13)/t8-/m1/s1;
    RYUNWBGPJCWGPJ-MRVPVSSYSA-N    		 c1ccc(cc1)C2CC(=O)NC(=O)S2; O=C1C[CH](SC
    (=O)N1)c2ccccc2; O=C1NC(=O)CC(S1)c1ccccc
    1; c1ccc(cc1)[C@H]2CC(=O)NC(=O)S2; O=C1C
    [C@@H](SC(=O)N1)c2ccccc2    		 (6R)-6-phenyl-1,3-thiazinane-2,4-dione
    14863 A1CI9 2 C14 H15 N3 O InChI=1S/C14H15N3O/c1-10(
    2)11-3-5-12(6-4-11)17-14(
    18)13-9-15-7-8-16-13/h3-1
    0H,1-2H3,(H,17,18);
    REPKUXPMFWYVDC-UHFFFAOYSA-N    		 CC(C)c1ccc(cc1)NC(=O)c2cnccn2; CC(C)c1cc
    c(NC(=O)c2cnccn2)cc1; O=C(Nc1ccc(cc1)C(C
    )C)c1cnccn1    		 N-[4-(propan-2-yl)phenyl]pyrazine-2-carboxamide
    14864 A1CIF
    CHEMBL5799855    		 3 C21 H26 F2 N6 O3 S InChI=1S/C21H26F2N6O3S/c1
    -11(2)29-12(3)25-20-14(22
    )7-13(8-17(20)29)19-15(23
    )9-24-21(27-19)26-16-5-6-
    28(10-18(16)30)33(4,31)32
    /h7-9,11,16,18,30H,5-6,10
    H2,1-4H3,(H,24,26,27)/t16
    -,18-/m1/s1;
    UKVZKVRVVNTCMR-SJLPKXTDSA-N    		 Cc1nc2c(n1C(C)C)cc(cc2F)c3c(cnc(n3)NC4CC
    N(CC4O)S(=O)(=O)C)F; CC(C)n1c(C)nc2c(F)c
    c(cc12)c3nc(N[C@@H]4CCN(C[C@H]4O)[S](C)(
    =O)=O)ncc3F; CC(C)n1c(C)nc2c(F)cc(cc12)c
    3nc(N[CH]4CCN(C[CH]4O)[S](C)(=O)=O)ncc3F
    ; Cc1nc2c(n1C(C)C)cc(cc2F)c3c(cnc(n3)N[C
    @@H]4CCN(C[C@H]4O)S(=O)(=O)C)F; OC1CN(CC
    C1Nc1nc(c2cc(F)c3nc(C)n(C(C)C)c3c2)c(F)c
    n1)S(=O)(C)=O    		 (3R,4R)-4-({(4M)-5-fluoro-4-[4-fluoro-2-methyl-1-(propan-2-yl)-1H-1,3-benzimidazol-6-yl]pyrimidin-2-yl}amino)-1-(methanesulfonyl)piperidin-3-ol
    14865 A1CII 1 C25 H20 Cl F5 N4 O2 InChI=1S/C25H20ClF5N4O2/c
    1-3-18(36)34-4-5-35-12(9-
    34)10-37-17-8-33-23-14(24
    (17)35)6-15(26)19(22(23)2
    8)13-7-16(32)21(27)11(2)2
    0(13)25(29,30)31/h3,6-8,1
    2H,1,4-5,9-10,32H2,2H3/t1
    2-/m1/s1;
    DNDDKPAWCOTOAU-GFCCVEGCSA-N    		 Cc1c(F)c(N)cc(c2c(Cl)cc3c(ncc4OC[C@H]5CN
    (CCN5c34)C(=O)C=C)c2F)c1C(F)(F)F; Cc1c(c
    (cc(c1F)N)c2c(cc3c(c2F)ncc4c3N5CCN(CC5CO
    4)C(=O)C=C)Cl)C(F)(F)F; Cc1c(c(cc(c1F)N)
    c2c(cc3c(c2F)ncc4c3N5CCN(C[C@@H]5CO4)C(=
    O)C=C)Cl)C(F)(F)F; Cc1c(F)c(N)cc(c2c(Cl)
    cc3c(ncc4OC[CH]5CN(CCN5c34)C(=O)C=C)c2F)
    c1C(F)(F)F; FC(F)(F)c1c(C)c(F)c(N)cc1c1c
    (Cl)cc2c3c(cnc2c1F)OCC1CN(CCN13)C(=O)C=C    		 1-[(4aR,10P,13R)-10-[5-amino-4-fluoro-3-methyl-2-(trifluoromethyl)phenyl]-11-chloro-9-fluoro-1,2,4a,5-tetrahydropyrazino[1',2':4,5][1,4]oxazino[2,3-c]quinolin-3(4H)-yl]prop-2-en-1-one
    14866 A1CIL 6 C5 H9 N O2 InChI=1S/C5H9NO2/c1-3(2)4
    (6)5(7)8/h4H,1,6H2,2H3,(H
    ,7,8)/t4-/m1/s1;
    CJNBBWGXTPGZRW-SCSAIBSYSA-N    		 CC(=C)C(C(=O)O)N; CC(=C)[CH](N)C(O)=O; C
    =C(C)C(N)C(=O)O; CC(=C)[C@H](C(=O)O)N; C
    C(=C)[C@@H](N)C(O)=O    		 (2R)-2-amino-3-methylbut-3-enoic acid
    14867 A1CIO 12 C19 H13 Br F3 N5 O S InChI=1S/C19H13BrF3N5OS/c
    20-12-4-1-10(2-5-12)14-8-
    24-16(26-14)9-25-17(29)28
    -18-27-13-6-3-11(19(21,22
    )23)7-15(13)30-18/h1-8H,9
    H2,(H,24,26)(H2,25,27,28,
    29);
    OEAUDGBEKDKCMR-UHFFFAOYSA-N    		 c1cc(ccc1c2c[nH]c(n2)CNC(=O)Nc3nc4ccc(cc
    4s3)C(F)(F)F)Br; FC(F)(F)c1ccc2nc(NC(=O)
    NCc3[nH]cc(n3)c4ccc(Br)cc4)sc2c1; Brc1cc
    c(cc1)c1nc([NH]c1)CNC(=O)Nc1nc2ccc(cc2s1
    )C(F)(F)F    		 N-{[4-(4-bromophenyl)-1H-imidazol-2-yl]methyl}-N'-[6-(trifluoromethyl)-1,3-benzothiazol-2-yl]urea
    14868 A1CIU 2 C16 H14 N2 InChI=1S/C16H14N2/c1-12-4
    -2-6-15-14(12)5-3-7-16(15
    )18-13-8-10-17-11-9-13/h2
    -11H,1H3,(H,17,18);
    WUHPUCOIAGCLKE-UHFFFAOYSA-N    		 Cc1cccc2c1cccc2Nc3ccncc3; Cc1cccc2c(cccc
    21)Nc1ccncc1; Cc1cccc2c(Nc3ccncc3)cccc12    		 N-(5-methylnaphthalen-1-yl)pyridin-4-amine
    14869 A1CIW
    CHEMBL1346
    DB00496    		 1 C28 H30 N2 O2 InChI=1S/C28H30N2O2/c29-2
    7(31)28(23-7-3-1-4-8-23,2
    4-9-5-2-6-10-24)25-14-17-
    30(20-25)16-13-21-11-12-2
    6-22(19-21)15-18-32-26/h1
    -12,19,25H,13-18,20H2,(H2
    ,29,31)/t25-/m1/s1;
    HXGBXQDTNZMWGS-RUZDIDTESA-N    		 NC(=O)C([CH]1CCN(CCc2ccc3OCCc3c2)C1)(c4c
    cccc4)c5ccccc5; NC(=O)C([C@@H]1CCN(CCc2c
    cc3OCCc3c2)C1)(c4ccccc4)c5ccccc5; NC(=O)
    C(c1ccccc1)(c1ccccc1)C1CCN(C1)CCc1cc2CCO
    c2cc1; c1ccc(cc1)C(c2ccccc2)(C3CCN(C3)CC
    c4ccc5c(c4)CCO5)C(=O)N; c1ccc(cc1)C(c2cc
    ccc2)([C@@H]3CCN(C3)CCc4ccc5c(c4)CCO5)C(
    =O)N    		 darifenacin;
    2-{(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl}-2,2-diphenylacetamide
    14870 A1CIX 1 C17 H16 Cl N3 O InChI=1S/C17H16ClN3O/c18-
    14-4-2-5-16(10-14)21-8-7-
    15(20-21)12-19-11-13-3-1-
    6-17(22)9-13/h1-10,19,22H
    ,11-12H2;
    XIDYSLQGCOJZCS-UHFFFAOYSA-N    		 Oc1cccc(c1)CNCc1ccn(n1)c1cc(Cl)ccc1; c1c
    c(cc(c1)O)CNCc2ccn(n2)c3cccc(c3)Cl; Oc1c
    ccc(CNCc2ccn(n2)c3cccc(Cl)c3)c1    		 3-[({[(1P)-1-(3-chlorophenyl)-1H-pyrazol-3-yl]methyl}amino)methyl]phenol
    14871 A1CIZ 2 C14 H16 N2 InChI=1S/C14H16N2/c1-16-8
    -6-11-4-5-12(9-14(11)16)1
    3-3-2-7-15-10-13/h3-6,8-9
    ,15H,2,7,10H2,1H3;
    HGHJTLFFTQPAOS-UHFFFAOYSA-N    		 Cn1ccc2ccc(cc12)C3=CCCNC3; Cn1ccc2c1cc(c
    c2)C3=CCCNC3; Cn1ccc2ccc(cc21)C1=CCCNC1    		 (6M)-1-methyl-6-(1,2,5,6-tetrahydropyridin-3-yl)-1H-indole
    14872 A1CJ0 1 C16 H13 Cl N4 O3 InChI=1S/C16H13ClN4O3/c17
    -10-3-1-9(2-4-10)12(7-13(
    22)23)21-16(24)14-11-5-6-
    18-15(11)20-8-19-14/h1-6,
    8,12H,7H2,(H,21,24)(H,22,
    23)(H,18,19,20)/t12-/m0/s
    1;
    OVRVXLSQHCBTFU-LBPRGKRZSA-N    		 c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c
    3ncn2)Cl; OC(=O)C[CH](NC(=O)c1ncnc2[nH]c
    cc12)c3ccc(Cl)cc3; c1cc(ccc1C(CC(=O)O)NC
    (=O)c2c3cc[nH]c3ncn2)Cl; Clc1ccc(cc1)C(C
    C(=O)O)NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C
    @H](NC(=O)c1ncnc2[nH]ccc12)c3ccc(Cl)cc3    		 (3S)-3-(4-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14873 A1CJ1 2 C15 H13 N5 O3 InChI=1S/C15H13N5O3/c21-1
    2(22)7-11(10-3-1-2-5-16-1
    0)20-15(23)13-9-4-6-17-14
    (9)19-8-18-13/h1-6,8,11H,
    7H2,(H,20,23)(H,21,22)(H,
    17,18,19)/t11-/m0/s1;
    PEMJLQUPMOSBSQ-NSHDSACASA-N    		 c1ccnc(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc
    n2; O=C(O)CC(NC(=O)c1ncnc2[NH]ccc12)c1cc
    ccn1; c1ccnc(c1)[C@H](CC(=O)O)NC(=O)c2c3
    cc[nH]c3ncn2; OC(=O)C[CH](NC(=O)c1ncnc2[
    nH]ccc12)c3ccccn3; OC(=O)C[C@H](NC(=O)c1
    ncnc2[nH]ccc12)c3ccccn3    		 (3S)-3-(pyridin-2-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14874 A1CJ3 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    -2-4-11(5-3-10)13(8-14(22
    )23)21-17(24)15-12-6-7-18
    -16(12)20-9-19-15/h2-7,9,
    13H,8H2,1H3,(H,21,24)(H,2
    2,23)(H,18,19,20)/t13-/m0
    /s1;
    TXPLYWXNXJKSIH-ZDUSSCGKSA-N    		 Cc1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH
    ]c3ncn2; Cc1ccc(cc1)C(CC(=O)O)NC(=O)c1nc
    nc2[NH]ccc12; Cc1ccc(cc1)C(CC(=O)O)NC(=O
    )c2c3cc[nH]c3ncn2; Cc1ccc(cc1)[C@H](CC(O
    )=O)NC(=O)c2ncnc3[nH]ccc23; Cc1ccc(cc1)[
    CH](CC(O)=O)NC(=O)c2ncnc3[nH]ccc23    		 (3S)-3-(4-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14875 A1CJ4 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-17
    (9-13(22)23,11-5-3-2-4-6-
    11)21-16(24)14-12-7-8-18-
    15(12)20-10-19-14/h2-8,10
    H,9H2,1H3,(H,21,24)(H,22,
    23)(H,18,19,20)/t17-/m1/s
    1;
    WMPCAEILPCSLHO-QGZVFWFLSA-N    		 CC(CC(=O)O)(c1ccccc1)NC(=O)c2c3cc[nH]c3n
    cn2; C[C@](CC(O)=O)(NC(=O)c1ncnc2[nH]ccc
    12)c3ccccc3; O=C(O)CC(C)(NC(=O)c1ncnc2[N
    H]ccc12)c1ccccc1; C[C@@](CC(=O)O)(c1cccc
    c1)NC(=O)c2c3cc[nH]c3ncn2; C[C](CC(O)=O)
    (NC(=O)c1ncnc2[nH]ccc12)c3ccccc3    		 (3R)-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid
    14876 A1CJ5 1 C16 H13 F N4 O3 InChI=1S/C16H13FN4O3/c17-
    10-3-1-2-9(6-10)12(7-13(2
    2)23)21-16(24)14-11-4-5-1
    8-15(11)20-8-19-14/h1-6,8
    ,12H,7H2,(H,21,24)(H,22,2
    3)(H,18,19,20)/t12-/m1/s1;
    ISYNGVNWWXQOBD-GFCCVEGCSA-N    		 c1cc(cc(c1)F)C(CC(=O)O)NC(=O)c2c3cc[nH]c
    3ncn2; c1cc(cc(c1)F)[C@@H](CC(=O)O)NC(=O
    )c2c3cc[nH]c3ncn2; OC(=O)C[C@@H](NC(=O)c
    1ncnc2[nH]ccc12)c3cccc(F)c3; OC(=O)C[CH]
    (NC(=O)c1ncnc2[nH]ccc12)c3cccc(F)c3; Fc1
    cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12    		 (3R)-3-(3-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14877 A1CJ6 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    -4-2-3-5-11(10)13(8-14(22
    )23)21-17(24)15-12-6-7-18
    -16(12)20-9-19-15/h2-7,9,
    13H,8H2,1H3,(H,21,24)(H,2
    2,23)(H,18,19,20)/t13-/m0
    /s1;
    YKAQCWJNNDHMKK-ZDUSSCGKSA-N    		 Cc1ccccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn
    2; Cc1ccccc1[C@H](CC(O)=O)NC(=O)c2ncnc3[
    nH]ccc23; Cc1ccccc1C(CC(=O)O)NC(=O)c1ncn
    c2[NH]ccc12; Cc1ccccc1[C@H](CC(=O)O)NC(=
    O)c2c3cc[nH]c3ncn2; Cc1ccccc1[CH](CC(O)=
    O)NC(=O)c2ncnc3[nH]ccc23    		 (3S)-3-(2-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14878 A1CJ7 1 C16 H13 Cl N4 O3 InChI=1S/C16H13ClN4O3/c17
    -11-4-2-1-3-9(11)12(7-13(
    22)23)21-16(24)14-10-5-6-
    18-15(10)20-8-19-14/h1-6,
    8,12H,7H2,(H,21,24)(H,22,
    23)(H,18,19,20)/t12-/m0/s
    1;
    NDNYZXRFPQQRBS-LBPRGKRZSA-N    		 c1ccc(c(c1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3n
    cn2)Cl; Clc1ccccc1C(CC(=O)O)NC(=O)c1ncnc
    2[NH]ccc12; OC(=O)C[CH](NC(=O)c1ncnc2[nH
    ]ccc12)c3ccccc3Cl; c1ccc(c(c1)[C@H](CC(=
    O)O)NC(=O)c2c3cc[nH]c3ncn2)Cl; OC(=O)C[C
    @H](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3Cl    		 (3S)-3-(2-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14879 A1CJ8 2 C15 H13 N5 O3 InChI=1S/C15H13N5O3/c21-1
    2(22)6-11(9-2-1-4-16-7-9)
    20-15(23)13-10-3-5-17-14(
    10)19-8-18-13/h1-5,7-8,11
    H,6H2,(H,20,23)(H,21,22)(
    H,17,18,19)/t11-/m0/s1;
    SAVGAKXOTNOFDA-NSHDSACASA-N    		 c1cc(cnc1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc
    n2; c1cc(cnc1)[C@H](CC(=O)O)NC(=O)c2c3cc
    [nH]c3ncn2; O=C(O)CC(NC(=O)c1ncnc2[NH]cc
    c12)c1cccnc1; OC(=O)C[CH](NC(=O)c1ncnc2[
    nH]ccc12)c3cccnc3; OC(=O)C[C@H](NC(=O)c1
    ncnc2[nH]ccc12)c3cccnc3    		 (3S)-3-(pyridin-3-yl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14880 A1CJB
    CHEMBL5441798    		 1 C16 H13 Br N4 O3 InChI=1S/C16H13BrN4O3/c17
    -10-3-1-9(2-4-10)12(7-13(
    22)23)21-16(24)14-11-5-6-
    18-15(11)20-8-19-14/h1-6,
    8,12H,7H2,(H,21,24)(H,22,
    23)(H,18,19,20)/t12-/m0/s
    1;
    FSOPVDVKYHLXNE-LBPRGKRZSA-N    		 c1cc(ccc1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn
    2)Br; c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3c
    c[nH]c3ncn2)Br; OC(=O)C[C@H](NC(=O)c1ncn
    c2[nH]ccc12)c3ccc(Br)cc3; OC(=O)C[CH](NC
    (=O)c1ncnc2[nH]ccc12)c3ccc(Br)cc3; Brc1c
    cc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12    		 (3S)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14881 A1CJC
    CHEMBL5441538    		 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9-20-15(12-6-7-19-16(12)2
    1-9)17(25)22-13(8-14(23)2
    4)10-2-4-11(18)5-3-10/h2-
    7,13H,8H2,1H3,(H,22,25)(H
    ,23,24)(H,19,20,21)/t13-/
    m0/s1;
    UNULYKHBHJMUQB-ZDUSSCGKSA-N    		 Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc
    (cc3)Br; Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1n
    c(C)nc2[NH]ccc12; Cc1nc2[nH]ccc2c(n1)C(=
    O)N[CH](CC(O)=O)c3ccc(Br)cc3; Cc1nc(c2cc
    [nH]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)
    Br; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@@H](CC(O
    )=O)c3ccc(Br)cc3    		 (3S)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14882 A1CJD 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9-20-15(12-6-7-19-16(12)2
    1-9)17(25)22-13(8-14(23)2
    4)10-2-4-11(18)5-3-10/h2-
    7,13H,8H2,1H3,(H,22,25)(H
    ,23,24)(H,19,20,21)/t13-/
    m1/s1;
    UNULYKHBHJMUQB-CYBMUJFWSA-N    		 Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc
    (cc3)Br; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@H](
    CC(O)=O)c3ccc(Br)cc3; Brc1ccc(cc1)C(CC(=
    O)O)NC(=O)c1nc(C)nc2[NH]ccc12; Cc1nc2[nH
    ]ccc2c(n1)C(=O)N[CH](CC(O)=O)c3ccc(Br)cc
    3; Cc1nc(c2cc[nH]c2n1)C(=O)N[C@H](CC(=O)
    O)c3ccc(cc3)Br    		 (3R)-3-(4-bromophenyl)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14883 A1CJE 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9-7-19-16-14(9)15(20-8-21
    -16)17(25)22-12(6-13(23)2
    4)10-2-4-11(18)5-3-10/h2-
    5,7-8,12H,6H2,1H3,(H,22,2
    5)(H,23,24)(H,19,20,21)/t
    12-/m1/s1;
    VHLIYAPQKKKFFO-GFCCVEGCSA-N    		 Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]c
    c(C)c12; Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=
    O)O)c3ccc(cc3)Br; Cc1c[nH]c2c1c(ncn2)C(=
    O)N[C@H](CC(=O)O)c3ccc(cc3)Br; Cc1c[nH]c
    2ncnc(C(=O)N[CH](CC(O)=O)c3ccc(Br)cc3)c1
    2; Cc1c[nH]c2ncnc(C(=O)N[C@H](CC(O)=O)c3
    ccc(Br)cc3)c12    		 (3R)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14884 A1CJF 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9-7-19-16-14(9)15(20-8-21
    -16)17(25)22-12(6-13(23)2
    4)10-2-4-11(18)5-3-10/h2-
    5,7-8,12H,6H2,1H3,(H,22,2
    5)(H,23,24)(H,19,20,21)/t
    12-/m0/s1;
    VHLIYAPQKKKFFO-LBPRGKRZSA-N    		 Cc1c[nH]c2ncnc(C(=O)N[C@@H](CC(O)=O)c3cc
    c(Br)cc3)c12; Brc1ccc(cc1)C(CC(=O)O)NC(=
    O)c1ncnc2[NH]cc(C)c12; Cc1c[nH]c2c1c(ncn
    2)C(=O)N[C@@H](CC(=O)O)c3ccc(cc3)Br; Cc1
    c[nH]c2c1c(ncn2)C(=O)NC(CC(=O)O)c3ccc(cc
    3)Br; Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)
    c3ccc(Br)cc3)c12    		 (3S)-3-(4-bromophenyl)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14885 A1CJG 4 C27 H40 O4 InChI=1S/C27H40O4/c1-5-6-
    7-8-24(30)31-27(18(2)28)1
    6-13-23-21-10-9-19-17-20(
    29)11-14-25(19,3)22(21)12
    -15-26(23,27)4/h17,21-23H
    ,5-16H2,1-4H3/t21-,22-,23
    -,25-,26-,27-/m1/s1;
    DOMWKUIIPQCAJU-HZQFOQKQSA-N    		 CCCCCC(=O)O[C@]1(CC[C@@H]2[C@@H]3CCC4=CC
    (=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)=O;
    CCCCCC(=O)OC1(CCC2C1(CCC3C2CCC4=CC(=O)C
    CC34C)C)C(=O)C; CCCCCC(=O)O[C@]1(CC[C@H]
    2[C@]1(CC[C@@H]3[C@H]2CCC4=CC(=O)CC[C@@]
    34C)C)C(=O)C; CC(=O)C1(OC(=O)CCCCC)CCC2C
    3CCC4=CC(=O)CCC4(C)C3CCC21C; CCCCCC(=O)O
    [C]1(CC[CH]2[CH]3CCC4=CC(=O)CC[C]4(C)[CH
    ]3CC[C]12C)C(C)=O    		 [(8~{R},9~{R},10~{S},13~{R},14~{R},17~{S})-17-ethanoyl-10,13-dimethyl-3-oxidanylidene-2,6,7,8,9,11,12,14,15,16-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl] hexanoate
    14886 A1CJH 2 C14 H10 N2 O4 InChI=1S/C14H10N2O4/c1-9-
    7-12(16-20-9)14(19)15-11-
    4-2-3-10(8-11)5-6-13(17)1
    8/h2-4,7-8H,1H3,(H,15,19)
    (H,17,18);
    BOLNIAQMQMMEAF-UHFFFAOYSA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)O; Cc1
    onc(c1)C(=O)Nc2cccc(c2)C#CC(O)=O; Cc1cc(
    no1)C(=O)Nc1cc(C#CC(=O)O)ccc1    		 3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynoic acid
    14887 A1CJI 0 C32 H60 N3 O11 P S InChI=1S/C32H60N3O11PS/c1
    -4-5-6-7-8-9-10-11-12-13-
    14-15-16-17-18-19-26(37)4
    8-23-22-34-25(36)20-21-35
    -29(39)28(38)32(2,3)24-45
    -47(43,44)46-31(42)27(33)
    30(40)41/h27-28,38H,4-24,
    33H2,1-3H3,(H,34,36)(H,35
    ,39)(H,40,41)(H,43,44)/t2
    7-,28+/m1/s1;
    AANFNLMGYGZULA-IZLXSDGUSA-N    		 CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(=O)[
    CH](O)C(C)(C)CO[P](O)(=O)OC(=O)[CH](N)C(
    O)=O; CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCN
    C(=O)C(C(C)(C)COP(=O)(O)OC(=O)C(C(=O)O)N
    )O; CCCCCCCCCCCCCCCCCC(=O)SCCNC(=O)CCNC(
    =O)[C@@H](C(C)(C)COP(=O)(O)OC(=O)[C@@H](
    C(=O)O)N)O; CCCCCCCCCCCCCCCCCC(=O)SCCNC(
    =O)CCNC(=O)[C@H](O)C(C)(C)CO[P](O)(=O)OC
    (=O)[C@H](N)C(O)=O; O=C(CCCCCCCCCCCCCCCC
    C)SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)
    OC(=O)C(N)C(=O)O    		 O-[(R)-hydroxy{(3R)-3-hydroxy-2,2-dimethyl-4-[(3-{[2-(octadecanoylsulfanyl)ethyl]amino}-3-oxopropyl)amino]-4-oxobutoxy}phosphoryl]-3-oxo-L-serine
    14888 A1CJJ 2 C18 H19 N3 O4 InChI=1S/C18H19N3O4/c1-3-
    15(22)11-19-17(23)8-7-13-
    5-4-6-14(10-13)20-18(24)1
    6-9-12(2)25-21-16/h4-6,9-
    10,15,22H,3,11H2,1-2H3,(H
    ,19,23)(H,20,24)/t15-/m1/
    s1;
    DGIPRXQUEIVMND-OAHLLOKOSA-N    		 CC[C@H](CNC(=O)C#Cc1cccc(c1)NC(=O)c2cc(o
    n2)C)O; CC[C@@H](O)CNC(=O)C#Cc1cccc(NC(=
    O)c2cc(C)on2)c1; CCC(CNC(=O)C#Cc1cccc(c1
    )NC(=O)c2cc(on2)C)O; CC[CH](O)CNC(=O)C#C
    c1cccc(NC(=O)c2cc(C)on2)c1; Cc1cc(no1)C(
    =O)Nc1cc(C#CC(=O)NCC(O)CC)ccc1    		 N-[3-(3-{[(2R)-2-hydroxybutyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
    14889 A1CJK 3 C22 H19 N3 O4 InChI=1S/C22H19N3O4/c1-15
    -12-19(25-29-15)22(28)23-
    18-9-5-6-16(13-18)10-11-2
    1(27)24-20(14-26)17-7-3-2
    -4-8-17/h2-9,12-13,20,26H
    ,14H2,1H3,(H,23,28)(H,24,
    27)/t20-/m1/s1;
    CNNFJBGHADUJRI-HXUWFJFHSA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(CO)
    c3ccccc3; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)N
    C(CO)c2ccccc2)ccc1; Cc1onc(c1)C(=O)Nc2cc
    cc(c2)C#CC(=O)N[CH](CO)c3ccccc3; Cc1onc(
    c1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@H](CO)c3c
    cccc3; Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O
    )N[C@H](CO)c3ccccc3    		 N-[3-(3-{[(1S)-2-hydroxy-1-phenylethyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
    14890 A1CJL 1 C17 H17 N3 O5 InChI=1S/C17H17N3O5/c1-11
    -7-15(20-25-11)17(24)19-1
    3-4-2-3-12(8-13)5-6-16(23
    )18-9-14(22)10-21/h2-4,7-
    8,14,21-22H,9-10H2,1H3,(H
    ,18,23)(H,19,24)/t14-/m1/
    s1;
    GHIQANNJNVHKPU-CQSZACIVSA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NCC(CO
    )O; Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)NC
    [C@@H](O)CO; Cc1cc(no1)C(=O)Nc2cccc(c2)C
    #CC(=O)NC[C@H](CO)O; Cc1onc(c1)C(=O)Nc2c
    ccc(c2)C#CC(=O)NC[CH](O)CO; Cc1cc(no1)C(
    =O)Nc1cc(C#CC(=O)NCC(O)CO)ccc1    		 N-[3-(3-{[(2R)-2,3-dihydroxypropyl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
    14891 A1CJM 1 C20 H19 N5 O4 InChI=1S/C20H19N5O4/c1-13
    -7-18(25-29-13)20(28)24-1
    5-4-2-3-14(8-15)5-6-19(27
    )23-17(11-26)9-16-10-21-1
    2-22-16/h2-4,7-8,10,12,17
    ,26H,9,11H2,1H3,(H,21,22)
    (H,23,27)(H,24,28)/t17-/m
    0/s1;
    PMDKHIVXRMHXIT-KRWDZBQOSA-N    		 Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)NC(Cc2c[NH]
    cn2)CO)ccc1; Cc1cc(no1)C(=O)Nc2cccc(c2)C
    #CC(=O)N[C@@H](Cc3c[nH]cn3)CO; Cc1cc(no1
    )C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3c[nH]cn3)
    CO; Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[
    CH](CO)Cc3c[nH]cn3; Cc1onc(c1)C(=O)Nc2cc
    cc(c2)C#CC(=O)N[C@H](CO)Cc3c[nH]cn3    		 N-[3-(3-{[(2S)-1-hydroxy-3-(1H-imidazol-4-yl)propan-2-yl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
    14892 A1CJN 1 C23 H21 N3 O4 InChI=1S/C23H21N3O4/c1-16
    -12-21(26-30-16)23(29)25-
    19-9-5-8-18(13-19)10-11-2
    2(28)24-20(15-27)14-17-6-
    3-2-4-7-17/h2-9,12-13,20,
    27H,14-15H2,1H3,(H,24,28)
    (H,25,29)/t20-/m0/s1;
    WSDCCYXRBNZEMT-FQEVSTJZSA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3
    ccccc3)CO; Cc1cc(no1)C(=O)Nc2cccc(c2)C#C
    C(=O)N[C@@H](Cc3ccccc3)CO; Cc1cc(no1)C(=
    O)Nc1cc(C#CC(=O)NC(Cc2ccccc2)CO)ccc1; Cc
    1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[CH](CO
    )Cc3ccccc3; Cc1onc(c1)C(=O)Nc2cccc(c2)C#
    CC(=O)N[C@H](CO)Cc3ccccc3    		 N-[3-(3-{[(2S)-1-hydroxy-3-phenylpropan-2-yl]amino}-3-oxoprop-1-yn-1-yl)phenyl]-5-methyl-1,2-oxazole-3-carboxamide
    14893 A1CJO 1 C26 H23 F2 N3 O6 InChI=1S/C26H23F2N3O6/c1-
    15-8-23(31-37-15)26(35)30
    -18-5-3-4-16(9-18)6-7-24(
    33)29-19(14-32)10-17-11-2
    1(27)20(22(28)12-17)13-25
    (34)36-2/h3-5,8-9,11-12,1
    9,32H,10,13-14H2,1-2H3,(H
    ,29,33)(H,30,35)/t19-/m0/
    s1;
    QQWQTAQLXYVABN-IBGZPJMESA-N    		 Cc1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3
    cc(c(c(c3)F)CC(=O)OC)F)CO; COC(=O)Cc1c(F
    )cc(C[CH](CO)NC(=O)C#Cc2cccc(NC(=O)c3cc(
    C)on3)c2)cc1F; Cc1cc(no1)C(=O)Nc2cccc(c2
    )C#CC(=O)N[C@@H](Cc3cc(c(c(c3)F)CC(=O)OC
    )F)CO; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)NC(C
    c2cc(F)c(CC(=O)OC)c(F)c2)CO)ccc1; COC(=O
    )Cc1c(F)cc(C[C@@H](CO)NC(=O)C#Cc2cccc(NC
    (=O)c3cc(C)on3)c2)cc1F    		 methyl {2,6-difluoro-4-[(2S)-3-hydroxy-2-(3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynamido)propyl]phenyl}acetate
    14894 A1CJP 3 C26 H24 Cl N3 O6 InChI=1S/C26H24ClN3O6/c1-
    16-10-23(30-36-16)26(34)2
    9-20-5-3-4-17(11-20)7-9-2
    4(32)28-21(15-31)12-18-6-
    8-19(22(27)13-18)14-25(33
    )35-2/h3-6,8,10-11,13,21,
    31H,12,14-15H2,1-2H3,(H,2
    8,32)(H,29,34)/t21-/m0/s1;
    DCBGXBVZKIQSLL-NRFANRHFSA-N    		 COC(=O)Cc1ccc(C[CH](CO)NC(=O)C#Cc2cccc(N
    C(=O)c3cc(C)on3)c2)cc1Cl; COC(=O)Cc1ccc(
    C[C@@H](CO)NC(=O)C#Cc2cccc(NC(=O)c3cc(C)
    on3)c2)cc1Cl; Cc1cc(no1)C(=O)Nc1cc(C#CC(
    =O)NC(Cc2ccc(CC(=O)OC)c(Cl)c2)CO)ccc1; C
    c1cc(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3c
    cc(c(c3)Cl)CC(=O)OC)CO; Cc1cc(no1)C(=O)N
    c2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c(c3)Cl
    )CC(=O)OC)CO    		 methyl {2-chloro-4-[(2S)-3-hydroxy-2-(3-{3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]phenyl}prop-2-ynamido)propyl]phenyl}acetate
    14895 A1CJQ 3 C30 H26 F N3 O5 InChI=1S/C30H26FN3O5/c1-2
    0-14-27(34-39-20)30(37)33
    -24-9-5-8-21(15-24)11-13-
    29(36)32-25(18-35)16-23-1
    0-12-28(26(31)17-23)38-19
    -22-6-3-2-4-7-22/h2-10,12
    ,14-15,17,25,35H,16,18-19
    H2,1H3,(H,32,36)(H,33,37)
    /t25-/m0/s1;
    KTXQMWHLAOWRAR-VWLOTQADSA-N    		 Cc1onc(c1)C(=O)Nc2cccc(c2)C#CC(=O)N[C@H]
    (CO)Cc3ccc(OCc4ccccc4)c(F)c3; Cc1cc(no1)
    C(=O)Nc2cccc(c2)C#CC(=O)N[C@@H](Cc3ccc(c
    (c3)F)OCc4ccccc4)CO; Cc1onc(c1)C(=O)Nc2c
    ccc(c2)C#CC(=O)N[CH](CO)Cc3ccc(OCc4ccccc
    4)c(F)c3; Cc1cc(no1)C(=O)Nc1cc(C#CC(=O)N
    C(Cc2ccc(OCc3ccccc3)c(F)c2)CO)ccc1; Cc1c
    c(no1)C(=O)Nc2cccc(c2)C#CC(=O)NC(Cc3ccc(
    c(c3)F)OCc4ccccc4)CO    		 N-{3-[3-({(2S)-1-[4-(benzyloxy)-3-fluorophenyl]-3-hydroxypropan-2-yl}amino)-3-oxoprop-1-yn-1-yl]phenyl}-5-methyl-1,2-oxazole-3-carboxamide
    14896 A1CJR 1 C15 H12 Br N5 O3 InChI=1S/C15H12BrN5O3/c16
    -9-3-1-8(2-4-9)10(5-11(22
    )23)21-15(24)13-12-14(19-
    6-17-12)20-7-18-13/h1-4,6
    -7,10H,5H2,(H,21,24)(H,22
    ,23)(H,17,18,19,20)/t10-/
    m0/s1;
    SHPMZPONFDRNOU-JTQLQIEISA-N    		 c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3c([nH]c
    n3)ncn2)Br; OC(=O)C[C@H](NC(=O)c1ncnc2[n
    H]cnc12)c3ccc(Br)cc3; Brc1ccc(cc1)C(CC(=
    O)O)NC(=O)c1ncnc2[NH]cnc12; c1cc(ccc1C(C
    C(=O)O)NC(=O)c2c3c([nH]cn3)ncn2)Br; OC(=
    O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc(Br)
    cc3    		 (3S)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid
    14897 A1CJS 1 C15 H12 Br N5 O3 InChI=1S/C15H12BrN5O3/c16
    -9-3-1-8(2-4-9)10(5-11(22
    )23)21-15(24)13-12-14(19-
    6-17-12)20-7-18-13/h1-4,6
    -7,10H,5H2,(H,21,24)(H,22
    ,23)(H,17,18,19,20)/t10-/
    m1/s1;
    SHPMZPONFDRNOU-SNVBAGLBSA-N    		 Brc1ccc(cc1)C(CC(=O)O)NC(=O)c1ncnc2[NH]c
    nc12; c1cc(ccc1C(CC(=O)O)NC(=O)c2c3c([nH
    ]cn3)ncn2)Br; c1cc(ccc1[C@@H](CC(=O)O)NC
    (=O)c2c3c([nH]cn3)ncn2)Br; OC(=O)C[CH](N
    C(=O)c1ncnc2[nH]cnc12)c3ccc(Br)cc3; OC(=
    O)C[C@@H](NC(=O)c1ncnc2[nH]cnc12)c3ccc(B
    r)cc3    		 (3R)-3-(4-bromophenyl)-3-[(9H-purine-6-carbonyl)amino]propanoic acid
    14898 A1CJT 1 C17 H15 Br N4 O3 InChI=1S/C17H15BrN4O3/c1-
    9-6-10(18)2-3-11(9)13(7-1
    4(23)24)22-17(25)15-12-4-
    5-19-16(12)21-8-20-15/h2-
    6,8,13H,7H2,1H3,(H,22,25)
    (H,23,24)(H,19,20,21)/t13
    -/m1/s1;
    HNUSOTYOPVBELS-CYBMUJFWSA-N    		 Cc1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH
    ]c3ncn2)Br; Brc1ccc(c(C)c1)C(CC(=O)O)NC(
    =O)c1ncnc2[NH]ccc12; Cc1cc(Br)ccc1[CH](C
    C(O)=O)NC(=O)c2ncnc3[nH]ccc23; Cc1cc(ccc
    1C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)Br; Cc
    1cc(Br)ccc1[C@@H](CC(O)=O)NC(=O)c2ncnc3[
    nH]ccc23    		 (3R)-3-(4-bromo-2-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14899 A1CJV 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    0-3-1-9(2-4-10)12(7-13(22
    )23)20-16(24)14-11-5-6-17
    -15(11)19-8-18-14/h1-6,8,
    12,21H,7H2,(H,20,24)(H,22
    ,23)(H,17,18,19)/t12-/m1/
    s1;
    PCMJJRHLOPNZKL-GFCCVEGCSA-N    		 c1cc(ccc1[C@@H](CC(=O)O)NC(=O)c2c3cc[nH]
    c3ncn2)O; OC(=O)C[CH](NC(=O)c1ncnc2[nH]c
    cc12)c3ccc(O)cc3; c1cc(ccc1C(CC(=O)O)NC(
    =O)c2c3cc[nH]c3ncn2)O; Oc1ccc(cc1)C(CC(=
    O)O)NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C@@H
    ](NC(=O)c1ncnc2[nH]ccc12)c3ccc(O)cc3    		 (3R)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14900 A1CJW 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    0-3-1-9(2-4-10)12(7-13(22
    )23)20-16(24)14-11-5-6-17
    -15(11)19-8-18-14/h1-6,8,
    12,21H,7H2,(H,20,24)(H,22
    ,23)(H,17,18,19)/t12-/m0/
    s1;
    PCMJJRHLOPNZKL-LBPRGKRZSA-N    		 c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c
    3ncn2)O; OC(=O)C[CH](NC(=O)c1ncnc2[nH]cc
    c12)c3ccc(O)cc3; c1cc(ccc1C(CC(=O)O)NC(=
    O)c2c3cc[nH]c3ncn2)O; OC(=O)C[C@H](NC(=O
    )c1ncnc2[nH]ccc12)c3ccc(O)cc3; Oc1ccc(cc
    1)C(CC(=O)O)NC(=O)c1ncnc2[NH]ccc12    		 (3S)-3-(4-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14901 A1CJX 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    (17(23)24)13(11-5-3-2-4-6
    -11)21-16(22)14-12-7-8-18
    -15(12)20-9-19-14/h2-10,1
    3H,1H3,(H,21,22)(H,23,24)
    (H,18,19,20)/t10-,13+/m1/
    s1;
    BMKUHSLLVIXDSE-MFKMUULPSA-N    		 C[C@H]([C@H](NC(=O)c1ncnc2[nH]ccc12)c3cc
    ccc3)C(O)=O; CC(C(c1ccccc1)NC(=O)c2c3cc[
    nH]c3ncn2)C(=O)O; O=C(O)C(C)C(NC(=O)c1nc
    nc2[NH]ccc12)c1ccccc1; C[C@H]([C@@H](c1c
    cccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=O)O; C[C
    H]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3)
    C(O)=O    		 (2R,3S)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14902 A1CJY 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    (17(23)24)13(11-5-3-2-4-6
    -11)21-16(22)14-12-7-8-18
    -15(12)20-9-19-14/h2-10,1
    3H,1H3,(H,21,22)(H,23,24)
    (H,18,19,20)/t10-,13+/m0/
    s1;
    BMKUHSLLVIXDSE-GXFFZTMASA-N    		 CC(C(c1ccccc1)NC(=O)c2c3cc[nH]c3ncn2)C(=
    O)O; O=C(O)C(C)C(NC(=O)c1ncnc2[NH]ccc12)
    c1ccccc1; C[C@@H]([C@H](c1ccccc1)NC(=O)c
    2c3cc[nH]c3ncn2)C(=O)O; C[C@@H]([C@@H](N
    C(=O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O; C
    [CH]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc
    3)C(O)=O    		 (2S,3R)-2-methyl-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14903 A1CJZ 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    -3-2-4-11(7-10)13(8-14(22
    )23)21-17(24)15-12-5-6-18
    -16(12)20-9-19-15/h2-7,9,
    13H,8H2,1H3,(H,21,24)(H,2
    2,23)(H,18,19,20)/t13-/m1
    /s1;
    SYPPYTKGVIISPX-CYBMUJFWSA-N    		 Cc1cccc(c1)C(CC(=O)O)NC(=O)c1ncnc2[NH]cc
    c12; Cc1cccc(c1)[C@@H](CC(O)=O)NC(=O)c2n
    cnc3[nH]ccc23; Cc1cccc(c1)C(CC(=O)O)NC(=
    O)c2c3cc[nH]c3ncn2; Cc1cccc(c1)[CH](CC(O
    )=O)NC(=O)c2ncnc3[nH]ccc23; Cc1cccc(c1)[
    C@@H](CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2    		 (3R)-3-(3-methylphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14904 A1CK0 1 C16 H17 N O S InChI=1S/C16H17NOS/c1-12(
    10-11-18)13-4-6-14(7-5-13
    )15-8-9-16(19-15)17(2)3/h
    4-11H,1-3H3/b12-10+;
    VMXLCJJGFZQXJT-ZRDIBKRKSA-N    		 CN(C)c1sc(cc1)c2ccc(cc2)\C(C)=C\C=O; C/C
    (=C\C=O)/c1ccc(cc1)c2ccc(s2)N(C)C; CC(=C
    C=O)c1ccc(cc1)c2ccc(s2)N(C)C; CN(C)c1sc(
    cc1)c2ccc(cc2)C(C)=CC=O; CN(C)c1ccc(s1)c
    1ccc(cc1)C(\C)=C\C=O    		 (2E)-3-{4-[5-(dimethylamino)thiophen-2-yl]phenyl}but-2-enal
    14905 A1CK1 4 C18 H19 N O InChI=1S/C18H19NO/c1-14(1
    2-13-20)15-4-6-16(7-5-15)
    17-8-10-18(11-9-17)19(2)3
    /h4-13H,1-3H3/b14-12+;
    YOIKKFCMZQGGQZ-WYMLVPIESA-N    		 C/C(=C\C=O)/c1ccc(cc1)c2ccc(cc2)N(C)C; C
    N(C)c1ccc(cc1)c1ccc(cc1)C(\C)=C\C=O; CC(
    =CC=O)c1ccc(cc1)c2ccc(cc2)N(C)C; CN(C)c1
    ccc(cc1)c2ccc(cc2)\C(C)=C\C=O; CN(C)c1cc
    c(cc1)c2ccc(cc2)C(C)=CC=O    		 (2E)-3-[4'-(dimethylamino)[1,1'-biphenyl]-4-yl]but-2-enal
    14906 A1CK4 0 C11 H11 Cl3 O2 S InChI=1S/C11H11Cl3O2S/c1-
    5(2)10(11(15)16)17-9-4-7(
    13)6(12)3-8(9)14/h3-5,10H
    ,1-2H3,(H,15,16)/t10-/m1/
    s1;
    NZZHJGDJZXXDGX-SNVBAGLBSA-N    		 CC(C)[CH](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O; Cl
    c1cc(SC(C(=O)O)C(C)C)c(Cl)cc1Cl; CC(C)[C
    @@H](Sc1cc(Cl)c(Cl)cc1Cl)C(O)=O; CC(C)[C
    @H](C(=O)O)Sc1cc(c(cc1Cl)Cl)Cl; CC(C)C(C
    (=O)O)Sc1cc(c(cc1Cl)Cl)Cl    		 (2R)-3-methyl-2-[(2,4,5-trichlorophenyl)sulfanyl]butanoic acid
    14907 A1CK6
    CHEMBL4782949    		 2 C10 H16 N2 O3 S InChI=1S/C10H16N2O3S/c13-
    8(14)4-2-1-3-7-9-6(5-16-7
    )11-10(15)12-9/h6-7,9H,1-
    5H2,(H,13,14)(H2,11,12,15
    )/t6-,7-,9-/m1/s1;
    YBJHBAHKTGYVGT-ZXFLCMHBSA-N    		 OC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12; C1[
    C@@H]2[C@H](C(S1)CCCCC(=O)O)NC(=O)N2; OC
    (=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]12; O
    =C1NC2C(CCCCC(=O)O)SCC2N1; C1C2C(C(S1)CC
    CCC(=O)O)NC(=O)N2    		 5-[(3aR,4R,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoic acid;
    L-Biotin
    14908 A1CKA 1 C16 H13 F N4 O3 InChI=1S/C16H13FN4O3/c17-
    10-3-1-9(2-4-10)12(7-13(2
    2)23)21-16(24)14-11-5-6-1
    8-15(11)20-8-19-14/h1-6,8
    ,12H,7H2,(H,21,24)(H,22,2
    3)(H,18,19,20)/t12-/m0/s1;
    XQKDBXAKZGIFNS-LBPRGKRZSA-N    		 c1cc(ccc1[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c
    3ncn2)F; Fc1ccc(cc1)C(CC(=O)O)NC(=O)c1nc
    nc2[NH]ccc12; OC(=O)C[CH](NC(=O)c1ncnc2[
    nH]ccc12)c3ccc(F)cc3; OC(=O)C[C@H](NC(=O
    )c1ncnc2[nH]ccc12)c3ccc(F)cc3; c1cc(ccc1
    C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2)F    		 (3S)-3-(4-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14909 A1CKB 1 C15 H13 N5 O3 InChI=1S/C15H13N5O3/c21-1
    1(22)6-10(9-4-2-1-3-5-9)2
    0-15(23)13-12-14(18-7-16-
    12)19-8-17-13/h1-5,7-8,10
    H,6H2,(H,20,23)(H,21,22)(
    H,16,17,18,19)/t10-/m0/s1;
    FITCGCGTYNVVDR-JTQLQIEISA-N    		 OC(=O)C[CH](NC(=O)c1ncnc2[nH]cnc12)c3ccc
    cc3; O=C(O)CC(NC(=O)c1ncnc2[NH]cnc12)c1c
    cccc1; c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c
    3c([nH]cn3)ncn2; c1ccc(cc1)C(CC(=O)O)NC(
    =O)c2c3c([nH]cn3)ncn2; OC(=O)C[C@H](NC(=
    O)c1ncnc2[nH]cnc12)c3ccccc3    		 (3S)-3-phenyl-3-[(9H-purine-6-carbonyl)amino]propanoic acid
    14910 A1CKC 1 C16 H13 Cl N4 O3 InChI=1S/C16H13ClN4O3/c17
    -10-3-1-2-9(6-10)12(7-13(
    22)23)21-16(24)14-11-4-5-
    18-15(11)20-8-19-14/h1-6,
    8,12H,7H2,(H,21,24)(H,22,
    23)(H,18,19,20)/t12-/m0/s
    1;
    CWLLZKUWCFZUGJ-LBPRGKRZSA-N    		 OC(=O)C[C@H](NC(=O)c1ncnc2[nH]ccc12)c3cc
    cc(Cl)c3; Clc1cccc(c1)C(CC(=O)O)NC(=O)c1
    ncnc2[NH]ccc12; c1cc(cc(c1)Cl)[C@H](CC(=
    O)O)NC(=O)c2c3cc[nH]c3ncn2; OC(=O)C[CH](
    NC(=O)c1ncnc2[nH]ccc12)c3cccc(Cl)c3; c1c
    c(cc(c1)Cl)C(CC(=O)O)NC(=O)c2c3cc[nH]c3n
    cn2    		 (3S)-3-(3-chlorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14911 A1CKD 1 C16 H13 F N4 O3 InChI=1S/C16H13FN4O3/c17-
    11-4-2-1-3-9(11)12(7-13(2
    2)23)21-16(24)14-10-5-6-1
    8-15(10)20-8-19-14/h1-6,8
    ,12H,7H2,(H,21,24)(H,22,2
    3)(H,18,19,20)/t12-/m1/s1;
    PNKDDNMYCPKPMN-GFCCVEGCSA-N    		 OC(=O)C[C@@H](NC(=O)c1ncnc2[nH]ccc12)c3c
    cccc3F; c1ccc(c(c1)[C@@H](CC(=O)O)NC(=O)
    c2c3cc[nH]c3ncn2)F; Fc1ccccc1C(CC(=O)O)N
    C(=O)c1ncnc2[NH]ccc12; c1ccc(c(c1)C(CC(=
    O)O)NC(=O)c2c3cc[nH]c3ncn2)F; OC(=O)C[CH
    ](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3F    		 (3R)-3-(2-fluorophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14912 A1CKE 1 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    -8-18-16-14(10)15(19-9-20
    -16)17(24)21-12(7-13(22)2
    3)11-5-3-2-4-6-11/h2-6,8-
    9,12H,7H2,1H3,(H,21,24)(H
    ,22,23)(H,18,19,20)/t12-/
    m0/s1;
    LPHYGEJETNSAFW-LBPRGKRZSA-N    		 Cc1c[nH]c2ncnc(C(=O)N[CH](CC(O)=O)c3cccc
    c3)c12; Cc1c[nH]c2c1c(ncn2)C(=O)NC(CC(=O
    )O)c3ccccc3; O=C(O)CC(NC(=O)c1ncnc2[NH]c
    c(C)c12)c1ccccc1; Cc1c[nH]c2c1c(ncn2)C(=
    O)N[C@@H](CC(=O)O)c3ccccc3; Cc1c[nH]c2nc
    nc(C(=O)N[C@@H](CC(O)=O)c3ccccc3)c12    		 (3S)-3-[(5-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid
    14913 A1CKF 2 C17 H16 N4 O3 InChI=1S/C17H16N4O3/c1-10
    -19-15(12-7-8-18-16(12)20
    -10)17(24)21-13(9-14(22)2
    3)11-5-3-2-4-6-11/h2-8,13
    H,9H2,1H3,(H,21,24)(H,22,
    23)(H,18,19,20)/t13-/m0/s
    1;
    GGAMLCHYIQGMOI-ZDUSSCGKSA-N    		 Cc1nc(c2cc[nH]c2n1)C(=O)NC(CC(=O)O)c3ccc
    cc3; Cc1nc2[nH]ccc2c(n1)C(=O)N[C@@H](CC(
    O)=O)c3ccccc3; Cc1nc2[nH]ccc2c(n1)C(=O)N
    [CH](CC(O)=O)c3ccccc3; O=C(O)CC(NC(=O)c1
    nc(C)nc2[NH]ccc12)c1ccccc1; Cc1nc(c2cc[n
    H]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccccc3    		 (3S)-3-[(2-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid
    14914 A1CKH 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    0-3-1-2-9(6-10)12(7-13(22
    )23)20-16(24)14-11-4-5-17
    -15(11)19-8-18-14/h1-6,8,
    12,21H,7H2,(H,20,24)(H,22
    ,23)(H,17,18,19)/t12-/m1/
    s1;
    DWVIVBHPMUXUQD-GFCCVEGCSA-N    		 OC(=O)C[CH](NC(=O)c1ncnc2[nH]ccc12)c3ccc
    c(O)c3; c1cc(cc(c1)O)[C@@H](CC(=O)O)NC(=
    O)c2c3cc[nH]c3ncn2; Oc1cccc(c1)C(CC(=O)O
    )NC(=O)c1ncnc2[NH]ccc12; OC(=O)C[C@@H](N
    C(=O)c1ncnc2[nH]ccc12)c3cccc(O)c3; c1cc(
    cc(c1)O)C(CC(=O)O)NC(=O)c2c3cc[nH]c3ncn2    		 (3R)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14915 A1CKI 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    0-3-1-2-9(6-10)12(7-13(22
    )23)20-16(24)14-11-4-5-17
    -15(11)19-8-18-14/h1-6,8,
    12,21H,7H2,(H,20,24)(H,22
    ,23)(H,17,18,19)/t12-/m0/
    s1;
    DWVIVBHPMUXUQD-LBPRGKRZSA-N    		 c1cc(cc(c1)O)[C@H](CC(=O)O)NC(=O)c2c3cc[
    nH]c3ncn2; OC(=O)C[CH](NC(=O)c1ncnc2[nH]
    ccc12)c3cccc(O)c3; Oc1cccc(c1)C(CC(=O)O)
    NC(=O)c1ncnc2[NH]ccc12; c1cc(cc(c1)O)C(C
    C(=O)O)NC(=O)c2c3cc[nH]c3ncn2; OC(=O)C[C
    @H](NC(=O)c1ncnc2[nH]ccc12)c3cccc(O)c3    		 (3S)-3-(3-hydroxyphenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14916 A1CKJ 1 C16 H14 N4 O4 InChI=1S/C16H14N4O4/c21-1
    3(16(23)24)11(9-4-2-1-3-5
    -9)20-15(22)12-10-6-7-17-
    14(10)19-8-18-12/h1-8,11,
    13,21H,(H,20,22)(H,23,24)
    (H,17,18,19)/t11-,13+/m0/
    s1;
    CFFIXNXNTHRLJK-WCQYABFASA-N    		 c1ccc(cc1)[C@@H]([C@H](C(=O)O)O)NC(=O)c2
    c3cc[nH]c3ncn2; c1ccc(cc1)C(C(C(=O)O)O)N
    C(=O)c2c3cc[nH]c3ncn2; O[C@H]([C@@H](NC(
    =O)c1ncnc2[nH]ccc12)c3ccccc3)C(O)=O; O[C
    H]([CH](NC(=O)c1ncnc2[nH]ccc12)c3ccccc3)
    C(O)=O; O=C(O)C(O)C(NC(=O)c1ncnc2[NH]ccc
    12)c1ccccc1    		 (2R,3S)-2-hydroxy-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14917 A1CKK 2 C16 H13 Cl N4 O3 InChI=1S/C16H13ClN4O3/c17
    -16-20-13(10-6-7-18-14(10
    )21-16)15(24)19-11(8-12(2
    2)23)9-4-2-1-3-5-9/h1-7,1
    1H,8H2,(H,19,24)(H,22,23)
    (H,18,20,21)/t11-/m0/s1;
    XAHBKMQEQUARBH-NSHDSACASA-N    		 c1ccc(cc1)C(CC(=O)O)NC(=O)c2c3cc[nH]c3nc
    (n2)Cl; OC(=O)C[CH](NC(=O)c1nc(Cl)nc2[nH
    ]ccc12)c3ccccc3; O=C(O)CC(NC(=O)c1nc(Cl)
    nc2[NH]ccc12)c1ccccc1; c1ccc(cc1)[C@H](C
    C(=O)O)NC(=O)c2c3cc[nH]c3nc(n2)Cl; OC(=O
    )C[C@H](NC(=O)c1nc(Cl)nc2[nH]ccc12)c3ccc
    cc3    		 (3S)-3-[(2-chloro-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]-3-phenylpropanoic acid
    14918 A1CKL 1 C16 H14 N4 O3 InChI=1S/C16H14N4O3/c21-1
    3(22)8-12(10-4-2-1-3-5-10
    )20-16(23)14-11-6-7-17-15
    (11)19-9-18-14/h1-7,9,12H
    ,8H2,(H,20,23)(H,21,22)(H
    ,17,18,19)/t12-/m0/s1;
    DSQVRPGBZMQFOG-LBPRGKRZSA-N    		 c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]
    c3ncn2; OC(=O)C[C@H](NC(=O)c1ncnc2[nH]cc
    c12)c3ccccc3; c1ccc(cc1)C(CC(=O)O)NC(=O)
    c2c3cc[nH]c3ncn2; OC(=O)C[CH](NC(=O)c1nc
    nc2[nH]ccc12)c3ccccc3; O=C(O)CC(NC(=O)c1
    ncnc2[NH]ccc12)c1ccccc1    		 (3S)-3-phenyl-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid
    14919 A1CKM 0 C17 H16 N2 O3 S InChI=1S/C17H16N2O3S/c1-3
    -12(17(21)22)19-9-18-15-1
    4(16(19)20)13(10(2)23-15)
    11-7-5-4-6-8-11/h4-9,12H,
    3H2,1-2H3,(H,21,22)/t12-/
    m1/s1;
    LGPFPZPACCUANZ-GFCCVEGCSA-N    		 CCC(C(=O)O)N1C=Nc2c(c(c(s2)C)c3ccccc3)C1
    =O; CC[CH](N1C=Nc2sc(C)c(c3ccccc3)c2C1=O
    )C(O)=O; CC[C@H](C(=O)O)N1C=Nc2c(c(c(s2)
    C)c3ccccc3)C1=O; O=C(O)C(CC)N1C=Nc2sc(C)
    c(c2C1=O)c1ccccc1; CC[C@@H](N1C=Nc2sc(C)
    c(c3ccccc3)c2C1=O)C(O)=O    		 (2R)-2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3(4H)-yl)butanoic acid
    14920 A1CKN 0 C19 H21 Cl O2 S2 InChI=1S/C19H21ClO2S2/c1-
    14-5-9-17(10-6-14)24-18(1
    9(21)22)4-2-3-13-23-16-11
    -7-15(20)8-12-16/h5-12,18
    H,2-4,13H2,1H3,(H,21,22)/
    t18-/m1/s1;
    HVFVCYLTDOVLAM-GOSISDBHSA-N    		 Cc1ccc(S[CH](CCCCSc2ccc(Cl)cc2)C(O)=O)cc
    1; Cc1ccc(S[C@H](CCCCSc2ccc(Cl)cc2)C(O)=
    O)cc1; Clc1ccc(SCCCCC(Sc2ccc(C)cc2)C(=O)
    O)cc1; Cc1ccc(cc1)SC(CCCCSc2ccc(cc2)Cl)C
    (=O)O; Cc1ccc(cc1)S[C@H](CCCCSc2ccc(cc2)
    Cl)C(=O)O    		 (2R)-6-[(4-chlorophenyl)sulfanyl]-2-[(4-methylphenyl)sulfanyl]hexanoic acid
    14921 A1CKP 2 C23 H24 N8 O InChI=1S/C23H24N8O/c1-15(
    2)27-20-10-21(23-4-3-18-9
    -16(11-24)12-26-31(18)23)
    25-13-19(20)22-14-30(29-2
    8-22)17-5-7-32-8-6-17/h3-
    4,9-10,12-15,17H,5-8H2,1-
    2H3,(H,25,27);
    RHQVHRVEDCPJPR-UHFFFAOYSA-N    		 CC(C)Nc1cc(ncc1c2cn(nn2)C3CCOCC3)c4ccc5n
    4ncc(c5)C#N; CC(C)Nc1cc(ncc1c2cn(nn2)C3C
    COCC3)c4ccc5cc(cnn45)C#N; CC(C)Nc1cc(ncc
    1c1nnn(c1)C1CCOCC1)c1ccc2cc(C#N)cnn21    		 (7P,8S)-7-{(5M)-5-[1-(oxan-4-yl)-1H-1,2,3-triazol-4-yl]-4-[(propan-2-yl)amino]pyridin-2-yl}pyrrolo[1,2-b]pyridazine-3-carbonitrile
    14922 A1CKQ 4 C26 H28 N8 O S InChI=1S/C26H28N8OS/c1-15
    (2)30-22-11-23(24-9-8-20-
    10-17(12-27)13-29-34(20)2
    4)28-14-21(22)26-33-32-25
    (36-26)18-4-6-19(7-5-18)3
    1-16(3)35/h8-11,13-15,18-
    19H,4-7H2,1-3H3,(H,28,30)
    (H,31,35)/t18-,19-;
    SINWNQNTNAGUJM-WGSAOQKQSA-N    		 CC(C)Nc1cc(ncc1c1nnc(s1)C1CCC(NC(C)=O)CC
    1)c1ccc2cc(C#N)cnn21; CC(C)Nc1cc(ncc1c2s
    c(nn2)[C@@H]3CC[C@H](CC3)NC(C)=O)c4ccc5c
    c(cnn45)C#N; CC(C)Nc1cc(ncc1c2nnc(s2)C3C
    CC(CC3)NC(=O)C)c4ccc5n4ncc(c5)C#N; CC(C)
    Nc1cc(ncc1c2sc(nn2)[CH]3CC[CH](CC3)NC(C)
    =O)c4ccc5cc(cnn45)C#N    		 N-[(1R,4r)-4-(5-{(6P)-6-[(8R)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide
    14923 A1CKS 4 C27 H29 N9 O S InChI=1S/C27H29N9OS/c1-15
    (2)31-22-9-23(24-7-6-20-8
    -17(10-28)11-30-36(20)24)
    29-12-21(22)26-33-34-27(3
    8-26)35-13-18-4-5-19(14-3
    5)25(18)32-16(3)37/h6-9,1
    1-12,15,18-19,25H,4-5,13-
    14H2,1-3H3,(H,29,31)(H,32
    ,37)/t18-,19+,25-;
    CZMZTZDQSIPONY-HBNMSFMJSA-N    		 CC(C)Nc1cc(ncc1c1nnc(s1)N1CC2CCC(C1)C2NC
    (C)=O)c1ccc2cc(C#N)cnn21; CC(C)Nc1cc(ncc
    1c2nnc(s2)N3CC4CCC(C3)C4NC(=O)C)c5ccc6n5
    ncc(c6)C#N; CC(C)Nc1cc(ncc1c2nnc(s2)N3C[
    C@H]4CC[C@@H](C3)C4NC(=O)C)c5ccc6n5ncc(c
    6)C#N; CC(C)Nc1cc(ncc1c2sc(nn2)N3C[CH]4C
    C[CH](C3)[CH]4NC(C)=O)c5ccc6cc(cnn56)C#N
    ; CC(C)Nc1cc(ncc1c2sc(nn2)N3C[C@H]4CC[C@
    @H](C3)[C@@H]4NC(C)=O)c5ccc6cc(cnn56)C#N    		 N-[(1R,5S,8R)-3-(5-{(6P)-6-[(8S)-3-cyanopyrrolo[1,2-b]pyridazin-7-yl]-4-[(propan-2-yl)amino]pyridin-3-yl}-1,3,4-thiadiazol-2-yl)-3-azabicyclo[3.2.1]octan-8-yl]acetamide
    14924 A1CKU 2 C10 H13 N O S InChI=1S/C10H13NOS/c1-8(6
    -7-12)9-4-5-10(13-9)11(2)
    3/h4-7H,1-3H3/b8-6+;
    OHTTZWOXIMXANB-SOFGYWHQSA-N    		 C/C(=C\C=O)/c1ccc(s1)N(C)C; CN(C)c1sc(cc
    1)C(/C)=C/C=O; CC(=CC=O)c1ccc(s1)N(C)C;
    C/C(=C\C=O)c1ccc(s1)N(C)C; CN(C)c1sc(cc1
    )C(C)=CC=O    		 (2E)-3-[5-(dimethylamino)thiophen-2-yl]but-2-enal
    14925 A1CKV 1 C17 H17 N O S InChI=1S/C17H17NOS/c1-13(
    9-12-19)16-7-8-17(20-16)1
    4-3-5-15(6-4-14)18-10-2-1
    1-18/h3-9,12H,2,10-11H2,1
    H3/b13-9+;
    LCFKQKBRSZNNCT-UKTHLTGXSA-N    		 C\C(=C/C=O)c1sc(cc1)c2ccc(cc2)N3CCC3; CC
    (=CC=O)c1sc(cc1)c2ccc(cc2)N3CCC3; C/C(=C
    \C=O)/c1ccc(s1)c2ccc(cc2)N3CCC3; C/C(=C\
    C=O)c1ccc(s1)c1ccc(cc1)N1CCC1; CC(=CC=O)
    c1ccc(s1)c2ccc(cc2)N3CCC3    		 (2E)-3-{5-[4-(azetidin-1-yl)phenyl]thiophen-2-yl}but-2-enal
    14926 A1CKW 1 C15 H14 O2 S InChI=1S/C15H14O2S/c1-11(
    9-10-16)14-7-8-15(18-14)1
    2-3-5-13(17-2)6-4-12/h3-1
    0H,1-2H3/b11-9+;
    KAMTWDJTZDCGFP-PKNBQFBNSA-N    		 COc1ccc(cc1)c2sc(cc2)\C(C)=C\C=O; C/C(=C
    \C=O)c1ccc(s1)c1ccc(OC)cc1; COc1ccc(cc1)
    c2sc(cc2)C(C)=CC=O; CC(=CC=O)c1ccc(s1)c2
    ccc(cc2)OC; C/C(=C\C=O)/c1ccc(s1)c2ccc(c
    c2)OC    		 (2E)-3-[5-(4-methoxyphenyl)thiophen-2-yl]but-2-enal
    14927 A1CKX 2 C14 H12 O S InChI=1S/C14H12OS/c1-11(9
    -10-15)13-7-8-14(16-13)12
    -5-3-2-4-6-12/h2-10H,1H3/
    b11-9+;
    KANGHGOOGHOANR-PKNBQFBNSA-N    		 CC(=CC=O)c1sc(cc1)c2ccccc2; CC(=CC=O)c1c
    cc(s1)c2ccccc2; C/C(=C\C=O)/c1ccc(s1)c2c
    cccc2; C\C(=C/C=O)c1sc(cc1)c2ccccc2; C/C
    (=C\C=O)c1ccc(s1)c1ccccc1    		 (2E)-3-(5-phenylthiophen-2-yl)but-2-enal
    14928 A1CKY 1 C16 H14 F3 N O S InChI=1S/C16H14F3NOS/c1-2
    0(2)12-5-3-11(4-6-12)14-7
    -8-15(22-14)13(9-10-21)16
    (17,18)19/h3-10H,1-2H3/b1
    3-9+;
    IBZXIFQCUQYGAW-UKTHLTGXSA-N    		 CN(C)c1ccc(cc1)c2sc(cc2)\C(=C/C=O)C(F)(F
    )F; CN(C)c1ccc(cc1)c2ccc(s2)C(=CC=O)C(F)
    (F)F; CN(C)c1ccc(cc1)c2ccc(s2)/C(=C\C=O)
    /C(F)(F)F; CN(C)c1ccc(cc1)c2sc(cc2)C(=CC
    =O)C(F)(F)F; FC(F)(F)C(=C\C=O)\c1ccc(s1)
    c1ccc(cc1)N(C)C    		 (2Z)-3-{5-[4-(dimethylamino)phenyl]thiophen-2-yl}-4,4,4-trifluorobut-2-enal
    14929 A1CKZ 1 C14 H15 N O S2 InChI=1S/C14H15NOS2/c1-10
    (8-9-16)11-4-5-12(17-11)1
    3-6-7-14(18-13)15(2)3/h4-
    9H,1-3H3/b10-8+;
    NQSQDLBCNOTRND-CSKARUKUSA-N    		 CC(=CC=O)c1ccc(s1)c2ccc(s2)N(C)C; CN(C)c
    1sc(cc1)c2sc(cc2)\C(C)=C\C=O; CN(C)c1ccc
    (s1)c1sc(cc1)C(\C)=C\C=O; CN(C)c1sc(cc1)
    c2sc(cc2)C(C)=CC=O; C/C(=C\C=O)/c1ccc(s1
    )c2ccc(s2)N(C)C    		 (2E)-3-[5'-(dimethylamino)[2,2'-bithiophen]-5-yl]but-2-enal
    14930 A1CL0 1 C14 H12 N2 O2 InChI=1S/C14H12N2O2/c17-1
    4(18)11-3-1-2-10(11)9-4-5
    -12-13(8-9)16-7-6-15-12/h
    4-8H,1-3H2,(H,17,18);
    RJOAZSLBMIFWSS-UHFFFAOYSA-N    		 c1cc2c(cc1C3=C(CCC3)C(=O)O)nccn2; O=C(O)
    C=1CCCC=1c1cc2nccnc2cc1; OC(=O)C1=C(CCC1
    )c2ccc3nccnc3c2    		 (2M)-2-(quinoxalin-6-yl)cyclopent-1-ene-1-carboxylic acid
    14931 A1CL1
    CHEMBL1569147    		 1 C11 H11 N O3 InChI=1S/C11H11NO3/c13-10
    -5-2-6-12(10)9-4-1-3-8(7-
    9)11(14)15/h1,3-4,7H,2,5-
    6H2,(H,14,15);
    QESXXFDZRITHKE-UHFFFAOYSA-N    		 O=C(O)c1cccc(c1)N1CCCC1=O; c1cc(cc(c1)N2
    CCCC2=O)C(=O)O; OC(=O)c1cccc(c1)N2CCCC2=
    O    		 3-(2-oxopyrrolidin-1-yl)benzoic acid
    14932 A1CL3
    CHEMBL5805561    		 2 C42 H45 Cl2 N5 O5 InChI=1S/C42H45Cl2N5O5/c1
    -22-16-28-20-34(42(51)52)
    47(13-15-53-8)38(28)33(17
    -22)48-21-25(4)49-39-31(1
    1-12-32(43)36(39)35-26(5)
    45-46(7)27(35)6)30(40(49)
    41(48)50)10-9-14-54-29-18
    -23(2)37(44)24(3)19-29/h1
    1-12,16-20,25H,9-10,13-15
    ,21H2,1-8H3,(H,51,52)/t25
    -/m1/s1;
    ULTJCNHXGCJYCH-RUZDIDTESA-N    		 COCCn1c(cc2cc(C)cc(N3C[C@@H](C)n4c(C3=O)
    c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(c46)
    c7c(C)nn(C)c7C)c12)C(O)=O; Cc1cc2cc(n(c2
    c(c1)N3C[C@H](n4c5c(ccc(c5c6c(nn(c6C)C)C
    )Cl)c(c4C3=O)CCCOc7cc(c(c(c7)C)Cl)C)C)CC
    OC)C(=O)O; Cc1cc2cc(n(c2c(c1)N3CC(n4c5c(
    ccc(c5c6c(nn(c6C)C)C)Cl)c(c4C3=O)CCCOc7c
    c(c(c(c7)C)Cl)C)C)CCOC)C(=O)O; Cc1nn(C)c
    (C)c1c1c(Cl)ccc2c1n1C(C)CN(c3cc(C)cc4cc(
    C(=O)O)n(CCOC)c43)C(=O)c1c2CCCOc1cc(C)c(
    Cl)c(C)c1; COCCn1c(cc2cc(C)cc(N3C[CH](C)
    n4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(
    Cl)c(c46)c7c(C)nn(C)c7C)c12)C(O)=O    		 7-[(4R,5S,6P)-7-chloro-10-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-4-methyl-1-oxo-6-(1,3,5-trimethyl-1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-2(1H)-yl]-1-(2-methoxyethyl)-5-methyl-1H-indole-2-carboxylic acid
    14933 A1CL4 1 C15 H13 N O2 InChI=1S/C15H13NO2/c17-15
    (18)13-5-1-4-12(13)10-6-7
    -14-11(9-10)3-2-8-16-14/h
    2-3,6-9H,1,4-5H2,(H,17,18
    );
    JOJFUPITKQWRLH-UHFFFAOYSA-N    		 c1cc2cc(ccc2nc1)C3=C(CCC3)C(=O)O; OC(=O)
    C1=C(CCC1)c2ccc3ncccc3c2; O=C(O)C=1CCCC=
    1c1ccc2ncccc2c1    		 (2P)-2-(quinolin-6-yl)cyclopent-1-ene-1-carboxylic acid
    14934 A1CL5 1 C14 H14 N2 O2 InChI=1S/C14H14N2O2/c17-1
    4(18)11-3-1-2-10(11)9-4-5
    -12-13(8-9)16-7-6-15-12/h
    4-8,10-11H,1-3H2,(H,17,18
    )/t10-,11+/m0/s1;
    WTODIMGYQGUNGR-WDEREUQCSA-N    		 O=C(O)C1CCCC1c1cc2nccnc2cc1; c1cc2c(cc1[
    C@@H]3CCC[C@H]3C(=O)O)nccn2; OC(=O)[C@@H
    ]1CCC[C@H]1c2ccc3nccnc3c2; OC(=O)[CH]1CC
    C[CH]1c2ccc3nccnc3c2; c1cc2c(cc1C3CCCC3C
    (=O)O)nccn2    		 (1R,2R)-2-(quinoxalin-6-yl)cyclopentane-1-carboxylic acid
    14935 A1CL6 1 C42 H43 Cl2 N5 O7 InChI=1S/C42H43Cl2N5O7/c1
    -22-15-25(16-23(2)36(22)4
    4)56-14-7-9-26-27-10-11-3
    0(43)35-29-20-46(4)45-31(
    29)21-55-13-8-12-47-33(42
    (51)52)17-28-37(47)32(18-
    34(53-5)40(28)54-6)48-19-
    24(3)49(38(27)35)39(26)41
    (48)50/h10-11,15-18,20,24
    H,7-9,12-14,19,21H2,1-6H3
    ,(H,51,52)/t24-/m1/s1;
    WFGCEQBVWBMIHC-XMMPIXPASA-N    		 Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c-4c3n5c2C(=
    O)N(C[C@H]5C)c6cc(c(c7c6n(c(c7)C(=O)O)CC
    COCc8c4cn(n8)C)OC)OC)Cl; COc1cc2[N]3C[CH
    ](C)n4c(C3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6
    ccc(Cl)c(c7cn(C)nc7COCCCn8c(cc(c1OC)c28)
    C(O)=O)c46; COc1cc2[N@@]3C[C@@H](C)n4c(C
    3=O)c(CCCOc5cc(C)c(Cl)c(C)c5)c6ccc(Cl)c(
    c7cn(C)nc7COCCCn8c(cc(c1OC)c28)C(O)=O)c4
    6; Cc1cc(cc(c1Cl)C)OCCCc2c3ccc(c-4c3n5c2
    C(=O)N(CC5C)c6cc(c(c7c6n(c(c7)C(=O)O)CCC
    OCc8c4cn(n8)C)OC)OC)Cl; Cc1cc(cc(C)c1Cl)
    OCCCc1c2ccc(Cl)c3c2n2c1C(=O)N(CC2C)c1cc(
    OC)c(OC)c2cc(n(CCCOCc4nn(C)cc34)c21)C(=O
    )O    		 (2S,4R,5S,12P,23R)-11-chloro-7-[3-(4-chloro-3,5-dimethylphenoxy)propyl]-27,28-dimethoxy-4,15-dimethyl-32-oxo-19-oxa-2,5,15,16,23-pentaazaheptacyclo[21.6.1.1~2,6~.1~5,8~.0~12,31~.0~13,17~.0~26,30~]dotriaconta-1(30),6,8(31),9,11,13,16,24,26,28-decaene-24-carboxylic acid (non-preferred name)
    14936 A1CL7 1 C13 H14 N2 O2 S InChI=1S/C13H14N2O2S/c14-
    13-15-10-5-4-7(6-11(10)18
    -13)8-2-1-3-9(8)12(16)17/
    h4-6,8-9H,1-3H2,(H2,14,15
    )(H,16,17)/t8-,9+/m0/s1;
    NSBFRMSXDVJQFI-DTWKUNHWSA-N    		 Nc1sc2cc(ccc2n1)[C@@H]3CCC[C@H]3C(O)=O;
    c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)sc(n2)N
    ; Nc1sc2cc(ccc2n1)[CH]3CCC[CH]3C(O)=O; O
    =C(O)C1CCCC1c1ccc2nc(N)sc2c1; c1cc2c(cc1
    C3CCCC3C(=O)O)sc(n2)N    		 (1R,2R)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid
    14937 A1CL8 1 C14 H13 N3 O3 S InChI=1S/C14H13N3O3S/c15-
    13(20)17-14-16-10-5-4-7(6
    -11(10)21-14)8-2-1-3-9(8)
    12(18)19/h4-6H,1-3H2,(H,1
    8,19)(H3,15,16,17,20);
    NPDLKNFCGKDZPE-UHFFFAOYSA-N    		 c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)NC(=O)N
    ; NC(=O)Nc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O
    ; O=C(O)C=1CCCC=1c1ccc2nc(NC(N)=O)sc2c1    		 (2P)-2-(2-carbamamido-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid
    14938 A1CL9 1 C15 H15 N O2 InChI=1S/C15H15NO2/c17-15
    (18)13-5-1-4-12(13)10-6-7
    -14-11(9-10)3-2-8-16-14/h
    2-3,6-9,12-13H,1,4-5H2,(H
    ,17,18)/t12-,13+/m0/s1;
    YAROMMGQINDDJN-QWHCGFSZSA-N    		 OC(=O)[CH]1CCC[CH]1c2ccc3ncccc3c2; O=C(O
    )C1CCCC1c1ccc2ncccc2c1; c1cc2cc(ccc2nc1)
    C3CCCC3C(=O)O; OC(=O)[C@@H]1CCC[C@H]1c2c
    cc3ncccc3c2; c1cc2cc(ccc2nc1)[C@@H]3CCC[
    C@H]3C(=O)O    		 (1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid
    14939 A1CLD 4 C21 H24 N2 O2 InChI=1S/C21H24N2O2/c1-15
    -6-7-18-19(24)13-21(25-20
    (18)16(15)2)8-11-23(12-9-
    21)14-17-5-3-4-10-22-17/h
    3-7,10H,8-9,11-14H2,1-2H3;
    ZJGZEFXFZOGTNZ-UHFFFAOYSA-N    		 Cc1ccc2c(c1C)OC3(CCN(CC3)Cc4ccccn4)CC2=O
    ; Cc1ccc2C(=O)CC3(CCN(CC3)Cc4ccccn4)Oc2c
    1C; Cc1ccc2c(OC3(CCN(CC3)Cc3ccccn3)CC2=O
    )c1C    		 7,8-dimethyl-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
    14940 A1CLE 2 C14 H17 N O2 InChI=1S/C14H17NO2/c1-15-
    8-6-14(7-9-15)10-12(16)11
    -4-2-3-5-13(11)17-14/h2-5
    H,6-10H2,1H3;
    DCENWWFAIVPRAC-UHFFFAOYSA-N    		 CN1CCC2(CC1)CC(=O)c3ccccc3O2; O=C1CC2(CC
    N(C)CC2)Oc2ccccc21    		 1'-methylspiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
    14941 A1CLF 1 C18 H19 N O2 InChI=1S/C18H19NO2/c1-19-
    10-8-18(9-11-19)12-16(20)
    15-7-6-13-4-2-3-5-14(13)1
    7(15)21-18/h2-7H,8-12H2,1
    H3;
    QPIFOKSJCZZZEV-UHFFFAOYSA-N    		 O=C1CC2(CCN(C)CC2)Oc2c1ccc1ccccc21; CN1C
    CC2(CC1)CC(=O)c3ccc4ccccc4c3O2    		 1'-methylspiro[naphtho[1,2-b]pyran-2,4'-piperidin]-4(3H)-one
    14942 A1CLI 1 C28 H39 N3 O2 InChI=1S/C28H39N3O2/c1-7-
    17-30-19-22(5)31(20-21(30
    )4)27(25-11-10-12-26(18-2
    5)33-6)23-13-15-24(16-14-
    23)28(32)29(8-2)9-3/h7,10
    -16,18,21-22,27H,1,8-9,17
    ,19-20H2,2-6H3/t21-,22+,2
    7-/m1/s1;
    KQWVAUSXZDRQPZ-UMTXDNHDSA-N    		 CCN(CC)C(=O)c1ccc(cc1)C(c2cccc(c2)OC)N3C
    C(N(CC3C)CC=C)C; CCN(CC)C(=O)c1ccc(cc1)C
    (c1cc(OC)ccc1)N1CC(C)N(CC1C)CC=C; CCN(CC
    )C(=O)c1ccc(cc1)[C@@H](N2C[C@@H](C)N(CC=
    C)C[C@@H]2C)c3cccc(OC)c3; CCN(CC)C(=O)c1
    ccc(cc1)[C@H](c2cccc(c2)OC)N3C[C@H](N(C[
    C@@H]3C)CC=C)C; CCN(CC)C(=O)c1ccc(cc1)[C
    H](N2C[CH](C)N(CC=C)C[CH]2C)c3cccc(OC)c3    		 4-[(R)-[(2S,5R)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](3-methoxyphenyl)methyl]-N,N-diethylbenzamide
    14943 A1CLJ 1 C20 H23 N O4 InChI=1S/C20H23NO4/c22-13
    -4-3-12-9-15-20(24)6-5-14
    (23)18-19(20,16(12)17(13)
    25-18)7-8-21(15)10-11-1-2
    -11/h3-4,11,15,18,22,24H,
    1-2,5-10H2/t15-,18+,19+,2
    0-/m1/s1;
    DQCKKXVULJGBQN-XFWGSAIBSA-N    		 c1cc(c2c3c1CC4C5(C3(CCN4CC6CC6)C(O2)C(=O
    )CC5)O)O; O=C1CCC2(O)C3Cc4ccc(O)c5OC1C2(
    CCN3CC1CC1)c54; Oc1ccc2C[CH]3N(CC[C]45[C
    H](Oc1c24)C(=O)CC[C]35O)CC6CC6; Oc1ccc2C
    [C@H]3N(CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C
    @@]35O)CC6CC6; c1cc(c2c3c1C[C@@H]4[C@]5(
    [C@]3(CCN4CC6CC6)[C@@H](O2)C(=O)CC5)O)O    		 17-(cyclopropylmethyl)-3,14-dihydroxy-5alpha-4,5-epoxymorphinan-6-one
    14944 A1CLL 1 C31 H39 N5 O InChI=1S/C31H39N5O/c1-23-
    20-26(9-13-32-23)29-7-4-2
    5-8-10-31(37-30(25)24(29)
    2)11-14-35(15-12-31)22-27
    -5-6-28(21-33-27)36-18-16
    -34(3)17-19-36/h4-7,9,13,
    20-21H,8,10-12,14-19,22H2
    ,1-3H3;
    ZTGXWRPQUDBLTI-UHFFFAOYSA-N    		 Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)C
    c5ccc(cn5)N6CCN(CC6)C; CN1CCN(CC1)c2ccc(
    CN3CCC4(CC3)CCc5ccc(c(C)c5O4)c6ccnc(C)c6
    )nc2; CN1CCN(CC1)c1ccc(nc1)CN1CCC2(CC1)C
    Cc1ccc(c3ccnc(C)c3)c(C)c1O2    		 (7M)-8-methyl-1'-{[5-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]
    14945 A1CLN 1 C26 H27 N3 O2 InChI=1S/C26H27N3O2/c1-18
    -15-20(8-12-27-18)22-6-7-
    23-24(30)16-26(31-25(23)1
    9(22)2)9-13-29(14-10-26)1
    7-21-5-3-4-11-28-21/h3-8,
    11-12,15H,9-10,13-14,16-1
    7H2,1-2H3;
    FLGATGWICYMNLV-UHFFFAOYSA-N    		 Cc1cc(ccn1)c2ccc3c(c2C)OC4(CCN(CC4)Cc5cc
    ccn5)CC3=O; Cc1cc(ccn1)c2ccc3C(=O)CC4(CC
    N(CC4)Cc5ccccn5)Oc3c2C; Cc1nccc(c1)c1ccc
    2c(OC3(CCN(CC3)Cc3ccccn3)CC2=O)c1C    		 (7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-[(pyridin-2-yl)methyl]spiro[[1]benzopyran-2,4'-piperidin]-4(3H)-one
    14946 A1CLO 1 C29 H31 N5 O InChI=1S/C29H31N5O/c1-20-
    18-23(9-14-30-20)25-7-6-2
    2-8-11-29(35-28(22)21(25)
    2)12-16-34(17-13-29)19-24
    -4-3-5-26(32-24)27-10-15-
    31-33-27/h3-7,9-10,14-15,
    18H,8,11-13,16-17,19H2,1-
    2H3,(H,31,33);
    JXRJHYKIUAGFBT-UHFFFAOYSA-N    		 Cc1cc(ccn1)c2ccc3c(c2C)OC4(CC3)CCN(CC4)C
    c5cccc(n5)c6ccn[nH]6; Cc1nccc(c1)c1ccc2C
    CC3(CCN(CC3)Cc3cccc(n3)c3ccn[NH]3)Oc2c1C
    ; Cc1cc(ccn1)c2ccc3CCC4(CCN(CC4)Cc5cccc(
    n5)c6[nH]ncc6)Oc3c2C    		 (7M)-8-methyl-7-(2-methylpyridin-4-yl)-1'-{[(6P)-6-(1H-pyrazol-5-yl)pyridin-2-yl]methyl}-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]
    14947 A1CLP 1 C31 H39 N5 O InChI=1S/C31H39N5O/c1-23-
    21-26(10-14-32-23)28-8-7-
    25-9-11-31(37-30(25)24(28
    )2)12-15-35(16-13-31)22-2
    7-5-4-6-29(33-27)36-19-17
    -34(3)18-20-36/h4-8,10,14
    ,21H,9,11-13,15-20,22H2,1
    -3H3;
    WVJWVSWBFWSOIU-UHFFFAOYSA-N    		 CN1CCN(CC1)c2cccc(CN3CCC4(CC3)CCc5ccc(c(
    C)c5O4)c6ccnc(C)c6)n2; Cc1cc(ccn1)c2ccc3
    c(c2C)OC4(CC3)CCN(CC4)Cc5cccc(n5)N6CCN(C
    C6)C; CN1CCN(CC1)c1cccc(n1)CN1CCC2(CC1)C
    Cc1ccc(c3ccnc(C)c3)c(C)c1O2    		 (7M)-8-methyl-1'-{[6-(4-methylpiperazin-1-yl)pyridin-2-yl]methyl}-7-(2-methylpyridin-4-yl)-3,4-dihydrospiro[[1]benzopyran-2,4'-piperidine]
    14948 A1CLR 2 C13 H14 N2 O2 InChI=1S/C13H14N2O2/c16-1
    3(17)10-5-1-3-8(10)9-4-2-
    6-12-11(9)7-14-15-12/h2,4
    ,6-8,10H,1,3,5H2,(H,14,15
    )(H,16,17)/t8-,10-/m1/s1;
    AMQYBXLXVKKGJJ-PSASIEDQSA-N    		 OC(=O)[C@@H]1CCC[C@@H]1c2cccc3[nH]ncc23;
    c1cc(c2cn[nH]c2c1)C3CCCC3C(=O)O; c1cc(c
    2cn[nH]c2c1)[C@H]3CCC[C@H]3C(=O)O; OC(=O
    )[CH]1CCC[CH]1c2cccc3[nH]ncc23; O=C(O)C1
    CCCC1c1cccc2[NH]ncc12    		 (1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid
    14949 A1CLS 1 C15 H15 N O2 InChI=1S/C15H15NO2/c17-15
    (18)14-3-1-2-13(14)11-4-5
    -12-9-16-7-6-10(12)8-11/h
    4-9,13-14H,1-3H2,(H,17,18
    )/t13-,14-/m1/s1;
    XQTQKFJDRRKDSY-ZIAGYGMSSA-N    		 c1cc2cnccc2cc1C3CCCC3C(=O)O; OC(=O)[CH]1
    CCC[CH]1c2ccc3cnccc3c2; c1cc2cnccc2cc1[C
    @H]3CCC[C@H]3C(=O)O; OC(=O)[C@@H]1CCC[C@
    @H]1c2ccc3cnccc3c2; O=C(O)C1CCCC1c1ccc2c
    nccc2c1    		 (1R,2S)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid
    14950 A1CLT 1 C14 H16 N2 O2 InChI=1S/C14H16N2O2/c1-16
    -8-15-12-6-5-9(7-13(12)16
    )10-3-2-4-11(10)14(17)18/
    h5-8,10-11H,2-4H2,1H3,(H,
    17,18)/t10-,11-/m1/s1;
    JKQNZNKKFBLZGL-GHMZBOCLSA-N    		 O=C(O)C1CCCC1c1ccc2ncn(C)c2c1; Cn1cnc2cc
    c(cc12)[CH]3CCC[CH]3C(O)=O; Cn1cnc2ccc(c
    c12)[C@H]3CCC[C@H]3C(O)=O; Cn1cnc2c1cc(c
    c2)C3CCCC3C(=O)O; Cn1cnc2c1cc(cc2)[C@H]3
    CCC[C@H]3C(=O)O    		 (1R,2S)-2-(1-methyl-1H-1,3-benzimidazol-6-yl)cyclopentane-1-carboxylic acid
    14951 A1CLU 1 C13 H13 N O3 InChI=1S/C13H13NO3/c15-13
    (16)10-3-1-2-9(10)8-4-5-1
    2-11(6-8)14-7-17-12/h4-7,
    9-10H,1-3H2,(H,15,16)/t9-
    ,10-/m1/s1;
    CEOXRGWJSDSYHN-NXEZZACHSA-N    		 c1cc2c(cc1[C@H]3CCC[C@H]3C(=O)O)nco2; OC
    (=O)[CH]1CCC[CH]1c2ccc3ocnc3c2; OC(=O)[C
    @@H]1CCC[C@@H]1c2ccc3ocnc3c2; c1cc2c(cc1
    C3CCCC3C(=O)O)nco2; O=C(O)C1CCCC1c1cc2nc
    oc2cc1    		 (1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid
    14952 A1CLV 2 C15 H15 N O2 InChI=1S/C15H15NO2/c17-15
    (18)14-3-1-2-13(14)11-4-5
    -12-9-16-7-6-10(12)8-11/h
    4-9,13-14H,1-3H2,(H,17,18
    )/t13-,14+/m0/s1;
    XQTQKFJDRRKDSY-UONOGXRCSA-N    		 c1cc2cnccc2cc1C3CCCC3C(=O)O; OC(=O)[CH]1
    CCC[CH]1c2ccc3cnccc3c2; OC(=O)[C@@H]1CCC
    [C@H]1c2ccc3cnccc3c2; c1cc2cnccc2cc1[C@@
    H]3CCC[C@H]3C(=O)O; O=C(O)C1CCCC1c1ccc2c
    nccc2c1    		 (1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid
    14953 A1CLW 2 C13 H13 N O2 S InChI=1S/C13H13NO2S/c15-1
    3(16)10-3-1-2-9(10)8-4-5-
    11-12(6-8)17-7-14-11/h4-7
    ,9-10H,1-3H2,(H,15,16)/t9
    -,10+/m0/s1;
    UQINUOHQWWOSCD-VHSXEESVSA-N    		 c1cc2c(cc1[C@@H]3CCC[C@H]3C(=O)O)scn2; O
    C(=O)[C@@H]1CCC[C@H]1c2ccc3ncsc3c2; O=C(
    O)C1CCCC1c1ccc2ncsc2c1; c1cc2c(cc1C3CCCC
    3C(=O)O)scn2; OC(=O)[CH]1CCC[CH]1c2ccc3n
    csc3c2    		 (1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid
    14954 A1CLX 2 C13 H11 N O2 S InChI=1S/C13H11NO2S/c15-1
    3(16)10-3-1-2-9(10)8-4-5-
    11-12(6-8)17-7-14-11/h4-7
    H,1-3H2,(H,15,16);
    NQZZAIZKLNOIOU-UHFFFAOYSA-N    		 c1cc2c(cc1C3=C(CCC3)C(=O)O)scn2; O=C(O)C
    =1CCCC=1c1ccc2ncsc2c1; OC(=O)C1=C(CCC1)c
    2ccc3ncsc3c2    		 (2P)-2-(1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid
    14955 A1CLY
    CHEMBL1531343    		 2 C11 H8 F N O S InChI=1S/C11H8FNOS/c12-8-
    3-5-9(6-4-8)13-11(14)10-2
    -1-7-15-10/h1-7H,(H,13,14
    );
    GCPZKOCHNSMRNY-UHFFFAOYSA-N    		 O=C(Nc1ccc(F)cc1)c1cccs1; c1cc(sc1)C(=O)
    Nc2ccc(cc2)F; Fc1ccc(NC(=O)c2sccc2)cc1    		 N-(4-fluorophenyl)thiophene-2-carboxamide
    14956 A1CLZ 1 C15 H13 N O2 InChI=1S/C15H13NO2/c17-15
    (18)14-3-1-2-13(14)11-4-5
    -12-9-16-7-6-10(12)8-11/h
    4-9H,1-3H2,(H,17,18);
    IYHZUWINIFYHSN-UHFFFAOYSA-N    		 O=C(O)C=1CCCC=1c1ccc2cnccc2c1; OC(=O)C1=
    C(CCC1)c2ccc3cnccc3c2; c1cc2cnccc2cc1C3=
    C(CCC3)C(=O)O    		 (2P)-2-(isoquinolin-6-yl)cyclopent-1-ene-1-carboxylic acid
    14957 A1CM0 1 C24 H22 F3 N7 O2 InChI=1S/C24H22F3N7O2/c1-
    32-21-17-10-14(5-8-19(17)
    31-22(28)18(21)12-30-32)2
    3(36)34(33-9-3-2-4-20(33)
    35)13-16-7-6-15(11-29-16)
    24(25,26)27/h5-8,10-12H,2
    -4,9,13H2,1H3,(H2,28,31);
    IKOBOQYTKCBCMM-UHFFFAOYSA-N    		 Cn1ncc2c1c1cc(ccc1nc2N)C(=O)N(Cc1ccc(cn1
    )C(F)(F)F)N1CCCCC1=O; Cn1ncc2c(N)nc3ccc(
    cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)N5CCCC
    C5=O; Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc
    4ccc(cn4)C(F)(F)F)N5CCCCC5=O    		 4-amino-1-methyl-N-(2-oxopiperidin-1-yl)-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
    14958 A1CM4 1 C13 H14 Br N5 O InChI=1S/C13H14BrN5O/c14-
    8-3-1-2-4-9(8)19-13-10-7(
    11(15)20)5-16-12(10)17-6-
    18-13/h3,5-6,9H,1-2,4H2,(
    H2,15,20)(H2,16,17,18,19)
    /t9-/m1/s1;
    OITFOMNCKMCNBF-SECBINFHSA-N    		 c1c(c2c([nH]1)ncnc2NC3CCCC=C3Br)C(=O)N;
    NC(=O)c1c[nH]c2ncnc(N[C@@H]3CCCC=C3Br)c1
    2; NC(=O)c1c[nH]c2ncnc(N[CH]3CCCC=C3Br)c
    12; c1c(c2c([nH]1)ncnc2N[C@@H]3CCCC=C3Br
    )C(=O)N; BrC1=CCCCC1Nc1ncnc2[NH]cc(c21)C
    (N)=O    		 4-{[(1R)-2-bromocyclohex-2-en-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
    14959 A1CM5 2 C31 H42 F2 N2 O8 S InChI=1S/C31H42F2N2O8S/c1
    -4-20(5-2)16-35(44(39,40)
    25-8-6-22(7-9-25)19(3)36)
    17-28(37)27(14-21-12-23(3
    2)15-24(33)13-21)34-31(38
    )43-29-18-42-30-26(29)10-
    11-41-30/h6-9,12-13,15,19
    -20,26-30,36-37H,4-5,10-1
    1,14,16-18H2,1-3H3,(H,34,
    38)/t19-,26+,27+,28-,29+,
    30-/m1/s1;
    QSTWKEAHGIUFAI-KKWHVFEBSA-N    		 CCC(CC)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2
    COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; C
    CC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC
    (=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4
    ccc(cc4)[CH](C)O; CC(O)c1ccc(cc1)S(=O)(=
    O)N(CC(CC)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(=
    O)OC1COC2OCCC12; CCC(CC)CN(C[C@H]([C@H](
    Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C
    @H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](C)O
    ; CCC(CC)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F
    )c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S]
    (=O)(=O)c4ccc(cc4)[C@@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate
    14960 A1CM6 2 C31 H42 F2 N2 O8 S InChI=1S/C31H42F2N2O8S/c1
    -4-20(5-2)16-35(44(39,40)
    25-8-6-22(7-9-25)19(3)36)
    17-28(37)27(14-21-12-23(3
    2)15-24(33)13-21)34-31(38
    )43-29-18-42-30-26(29)10-
    11-41-30/h6-9,12-13,15,19
    -20,26-30,36-37H,4-5,10-1
    1,14,16-18H2,1-3H3,(H,34,
    38)/t19-,26-,27-,28+,29-,
    30+/m0/s1;
    QSTWKEAHGIUFAI-CYJVAZRPSA-N    		 CCC(CC)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2
    COC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; C
    CC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC
    (=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4
    ccc(cc4)[CH](C)O; CCC(CC)CN(C[C@@H](O)[C
    @H](Cc1cc(F)cc(F)c1)NC(=O)O[C@H]2CO[C@H]
    3OCC[C@@H]23)[S](=O)(=O)c4ccc(cc4)[C@H](
    C)O; CC(O)c1ccc(cc1)S(=O)(=O)N(CC(CC)CC)
    CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC
    12; CCC(CC)CN(C[C@H]([C@H](Cc1cc(cc(c1)F
    )F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(
    =O)(=O)c4ccc(cc4)[C@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-4-[(2-ethylbutyl){4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}amino]-3-hydroxybutan-2-yl}carbamate
    14961 A1CM7 3 C36 H43 Cl N10 O4 InChI=1S/C36H43ClN10O4/c1
    -36(2,51)14-17-47-29-18-2
    1(6-10-27(29)44(4)35(47)5
    0)39-32-26(37)20-38-34(41
    -32)43(3)22-12-15-46(16-1
    3-22)23-7-8-24-28(19-23)4
    5(5)42-31(24)25-9-11-30(4
    8)40-33(25)49/h6-8,10,18-
    20,22,25,51H,9,11-17H2,1-
    5H3,(H,38,39,41)(H,40,48,
    49)/t25-/m1/s1;
    UAPMBWAZZWBDFF-RUZDIDTESA-N    		 CC(C)(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)
    N(C)C4CCN(CC4)c5ccc6c(c5)n(nc6[C@H]7CCC(
    =O)NC7=O)C)Cl)O; Cn1nc([C@H]2CCC(=O)NC2=
    O)c3ccc(cc13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc
    6ccc7N(C)C(=O)N(CCC(C)(C)O)c7c6)n5; CC(C
    )(CCN1c2cc(ccc2N(C1=O)C)Nc3c(cnc(n3)N(C)
    C4CCN(CC4)c5ccc6c(c5)n(nc6C7CCC(=O)NC7=O
    )C)Cl)O; Cn1nc([CH]2CCC(=O)NC2=O)c3ccc(c
    c13)N4CCC(CC4)N(C)c5ncc(Cl)c(Nc6ccc7N(C)
    C(=O)N(CCC(C)(C)O)c7c6)n5; CC(C)(O)CCN1C
    (=O)N(C)c2ccc(cc21)Nc1nc(ncc1Cl)N(C)C1CC
    N(CC1)c1ccc2c(c1)n(C)nc2C1CCC(=O)NC1=O    		 (3R)-3-(6-{4-[(5-chloro-4-{[3-(3-hydroxy-3-methylbutyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]amino}pyrimidin-2-yl)(methyl)amino]piperidin-1-yl}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione
    14962 A1CMA 1 C15 H15 N O2 InChI=1S/C15H15NO2/c17-15
    (18)13-5-1-4-12(13)11-7-6
    -10-3-2-8-16-14(10)9-11/h
    2-3,6-9,12-13H,1,4-5H2,(H
    ,17,18)/t12-,13+/m0/s1;
    QWGWVEZPQYOWFO-QWHCGFSZSA-N    		 O=C(O)C1CCCC1c1cc2ncccc2cc1; c1cc2ccc(cc
    2nc1)C3CCCC3C(=O)O; OC(=O)[C@@H]1CCC[C@H
    ]1c2ccc3cccnc3c2; OC(=O)[CH]1CCC[CH]1c2c
    cc3cccnc3c2; c1cc2ccc(cc2nc1)[C@@H]3CCC[
    C@H]3C(=O)O    		 (1R,2R)-2-(quinolin-7-yl)cyclopentane-1-carboxylic acid
    14963 A1CMB 1 C13 H12 N2 O2 S InChI=1S/C13H12N2O2S/c14-
    13-15-10-5-4-7(6-11(10)18
    -13)8-2-1-3-9(8)12(16)17/
    h4-6H,1-3H2,(H2,14,15)(H,
    16,17);
    IPMICPPBBYOIDS-UHFFFAOYSA-N    		 c1cc2c(cc1C3=C(CCC3)C(=O)O)sc(n2)N; O=C(
    O)C=1CCCC=1c1ccc2nc(N)sc2c1; Nc1sc2cc(cc
    c2n1)C3=C(CCC3)C(O)=O    		 (2P)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid
    14964 A1CMC 1 C14 H14 N2 O2 S InChI=1S/C14H14N2O2S/c1-1
    5-14-16-11-6-5-8(7-12(11)
    19-14)9-3-2-4-10(9)13(17)
    18/h5-7H,2-4H2,1H3,(H,15,
    16)(H,17,18);
    IZNNHGCHYVDFHH-UHFFFAOYSA-N    		 CNc1sc2cc(ccc2n1)C3=C(CCC3)C(O)=O; O=C(O
    )C=1CCCC=1c1ccc2nc(NC)sc2c1; CNc1nc2ccc(
    cc2s1)C3=C(CCC3)C(=O)O    		 (2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid
    14965 A1CMD 1 C15 H16 N2 O2 S InChI=1S/C15H16N2O2S/c1-2
    -16-15-17-12-7-6-9(8-13(1
    2)20-15)10-4-3-5-11(10)14
    (18)19/h6-8H,2-5H2,1H3,(H
    ,16,17)(H,18,19);
    AHTJPSMHHPKLRG-UHFFFAOYSA-N    		 O=C(O)C=1CCCC=1c1ccc2nc(NCC)sc2c1; CCNc1
    sc2cc(ccc2n1)C3=C(CCC3)C(O)=O; CCNc1nc2c
    cc(cc2s1)C3=C(CCC3)C(=O)O    		 (2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid
    14966 A1CME 1 C15 H13 N O2 InChI=1S/C15H13NO2/c17-15
    (18)13-5-1-4-12(13)11-7-6
    -10-3-2-8-16-14(10)9-11/h
    2-3,6-9H,1,4-5H2,(H,17,18
    );
    LOJVUQQULCMFRR-UHFFFAOYSA-N    		 OC(=O)C1=C(CCC1)c2ccc3cccnc3c2; c1cc2ccc
    (cc2nc1)C3=C(CCC3)C(=O)O; O=C(O)C=1CCCC=
    1c1cc2ncccc2cc1    		 (2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid
    14967 A1CMG
    CHEMBL5307201    		 1 C40 H43 Cl F N5 O5 S InChI=1S/C40H43ClFN5O5S/c
    1-24-36-33-11-10-32(41)38
    (36)37-25(2)43-47(13-15-5
    1-17-16-50-4)34(37)23-53-
    22-29-21-30(45(3)44-29)8-
    6-26-18-27-20-28(42)7-9-3
    1(27)35(19-26)52-14-5-12-
    46(33)39(24)40(48)49/h7,9
    -11,18-21H,5-6,8,12-17,22
    -23H2,1-4H3,(H,48,49);
    LUVOYGUFQRWXGQ-UHFFFAOYSA-N    		 Cc1c2c3ccc(c2-c4c(nn(c4CSCc5cc(n(n5)C)CC
    c6cc7cc(ccc7c(c6)OCCCn3c1C(=O)O)F)CCOCCO
    C)C)Cl; COCCOCCn1nc(C)c2c1CSCc3cc(CCc4cc
    (OCCCn5c6ccc(Cl)c2c6c(C)c5C(O)=O)c7ccc(F
    )cc7c4)n(C)n3; O=C(O)c1c(C)c2c3c4c(CSCc5
    nn(C)c(CCc6cc7cc(F)ccc7c(OCCCn1c2ccc3Cl)
    c6)c5)n(CCOCCOC)nc4C    		 17-chloranyl-33-fluoranyl-12-[2-(2-methoxyethoxy)ethyl]-5,14,22-trimethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11(15),13,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid
    14968 A1CMH 1 C36 H35 Cl F N5 O3 S InChI=1S/C36H35ClFN5O3S/c
    1-20-32-30-11-10-28(37)34
    (32)33-21(2)41(3)40-29(33
    )19-47-18-25-17-26(42(4)3
    9-25)8-6-22-14-23-16-24(3
    8)7-9-27(23)31(15-22)46-1
    3-5-12-43(30)35(20)36(44)
    45/h7,9-11,14-17H,5-6,8,1
    2-13,18-19H2,1-4H3,(H,44,
    45);
    UFDPXRGNCBNUQX-UHFFFAOYSA-N    		 O=C(O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2c
    c(F)ccc21)CCc1cc(CSCc2nn(C)c(C)c32)nn1C;
    Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)C
    Cc6cc7cc(ccc7c(c6)OCCCn3c1C(=O)O)F)C)C)C
    l; Cn1nc2CSCc3cc(CCc4cc(OCCCn5c6ccc(Cl)c
    (c2c1C)c6c(C)c5C(O)=O)c7ccc(F)cc7c4)n(C)
    n3    		 17-chloranyl-33-fluoranyl-5,13,14,22-tetramethyl-28-oxa-9-thia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid
    14969 A1CMI
    CHEMBL5754920    		 1 C35 H34 Cl N5 O3 S2 InChI=1S/C35H34ClN5O3S2/c
    1-20-31-29-11-10-27(36)33
    (31)32-21(2)39(3)38-28(32
    )19-45-17-23-15-24(40(4)3
    7-23)18-46-25-14-22-8-5-6
    -9-26(22)30(16-25)44-13-7
    -12-41(29)34(20)35(42)43/
    h5-6,8-11,14-16H,7,12-13,
    17-19H2,1-4H3,(H,42,43);
    CMYNVLPHUUEESY-UHFFFAOYSA-N    		 Cc1c2c3ccc(c2-c4c(n(nc4CSCc5cc(n(n5)C)CS
    c6cc7ccccc7c(c6)OCCCn3c1C(=O)O)C)C)Cl; C
    n1nc2CSCc3cc(CSc4cc(OCCCn5c6ccc(Cl)c(c2c
    1C)c6c(C)c5C(O)=O)c7ccccc7c4)n(C)n3; O=C
    (O)c1c(C)c2c3c(Cl)ccc2n1CCCOc1cc(cc2cccc
    c21)SCc1cc(CSCc2nn(C)c(C)c32)nn1C    		 17-chloranyl-5,13,14,22-tetramethyl-28-oxa-2,9-dithia-5,6,12,13,24-pentazaheptacyclo[27.7.1.1^{4,7}.0^{11,15}.0^{16,21}.0^{20,24}.0^{30,35}]octatriaconta-1(36),4(38),6,11,14,16,18,20,22,29(37),30(35),31,33-tridecaene-23-carboxylic acid
    14970 A1CMV
    CHEMBL841
    DB00836    		 3 C29 H33 Cl N2 O2 InChI=1S/C29H33ClN2O2/c1-
    31(2)27(33)29(24-9-5-3-6-
    10-24,25-11-7-4-8-12-25)1
    9-22-32-20-17-28(34,18-21
    -32)23-13-15-26(30)16-14-
    23/h3-16,34H,17-22H2,1-2H
    3;
    RDOIQAHITMMDAJ-UHFFFAOYSA-N    		 CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)
    (c1ccccc1)c1ccccc1; CN(C)C(=O)C(CCN1CCC(
    O)(CC1)c2ccc(Cl)cc2)(c3ccccc3)c4ccccc4;
    CN(C)C(=O)C(CCN1CCC(CC1)(c2ccc(cc2)Cl)O)
    (c3ccccc3)c4ccccc4    		 4-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
    14971 A1CMW 1 C25 H21 F3 N8 O InChI=1S/C25H21F3N8O/c1-1
    4(23-30-8-3-9-31-23)36(13
    -17-6-5-16(11-32-17)25(26
    ,27)28)24(37)15-4-7-20-18
    (10-15)21-19(22(29)34-20)
    12-33-35(21)2/h3-12,14H,1
    3H2,1-2H3,(H2,29,34)/t14-
    /m1/s1;
    WIUIEGOKAZIGQY-CQSZACIVSA-N    		 C[C@@H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c2ccc
    3nc(N)c4cnn(C)c4c3c2)c5ncccn5; CC(c1nccc
    n1)N(Cc2ccc(cn2)C(F)(F)F)C(=O)c3ccc4c(c3
    )c5c(cnn5C)c(n4)N; C[C@H](c1ncccn1)N(Cc2
    ccc(cn2)C(F)(F)F)C(=O)c3ccc4c(c3)c5c(cnn
    5C)c(n4)N; FC(F)(F)c1ccc(nc1)CN(C(C)c1nc
    ccn1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2c1; C[C
    H](N(Cc1ccc(cn1)C(F)(F)F)C(=O)c2ccc3nc(N
    )c4cnn(C)c4c3c2)c5ncccn5    		 4-amino-1-methyl-N-[(1R)-1-(pyrimidin-2-yl)ethyl]-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carboxamide
    14972 A1CMX
    CHEMBL1730462    		 2 C13 H13 N O4 InChI=1S/C13H13NO4/c1-13(
    2,3)14-10(15)8-5-4-7(12(1
    7)18)6-9(8)11(14)16/h4-6H
    ,1-3H3,(H,17,18);
    XBMWXWYNYYVTMK-UHFFFAOYSA-N    		 O=C(O)c1ccc2C(=O)N(C(=O)c2c1)C(C)(C)C; C
    C(C)(C)N1C(=O)c2ccc(cc2C1=O)C(=O)O; CC(C
    )(C)N1C(=O)c2ccc(cc2C1=O)C(O)=O    		 2-tert-butyl-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
    14973 A1CMY 1 C8 H10 Cl2 N2 O InChI=1S/C8H10Cl2N2O/c1-8
    (2,3)12-7(13)6(10)5(9)4-1
    1-12/h4H,1-3H3;
    ANFVZRTXGLHTNI-UHFFFAOYSA-N    		 CC(C)(C)N1C(=O)C(=C(C=N1)Cl)Cl; CC(C)(C)
    N1N=CC(=C(Cl)C1=O)Cl; ClC=1C=NN(C(=O)C=1
    Cl)C(C)(C)C    		 2-tert-butyl-4,5-dichloropyridazin-3(2H)-one
    14974 A1CMZ 1 C24 H22 F3 N7 O2 InChI=1S/C24H22F3N7O2/c1-
    32-20-17-9-14(5-8-19(17)3
    1-21(28)18(20)11-30-32)23
    (36)34(33(2)22(35)13-3-4-
    13)12-16-7-6-15(10-29-16)
    24(25,26)27/h5-11,13H,3-4
    ,12H2,1-2H3,(H2,28,31);
    IRMKUPMMVSHMDO-UHFFFAOYSA-N    		 Cn1c2c3cc(ccc3nc(c2cn1)N)C(=O)N(Cc4ccc(c
    n4)C(F)(F)F)N(C)C(=O)C5CC5; Cn1ncc2c(N)n
    c3ccc(cc3c12)C(=O)N(Cc4ccc(cn4)C(F)(F)F)
    N(C)C(=O)C5CC5; FC(F)(F)c1ccc(nc1)CN(N(C
    )C(=O)C1CC1)C(=O)c1ccc2nc(N)c3cnn(C)c3c2
    c1    		 4-amino-N'-(cyclopropanecarbonyl)-N',1-dimethyl-N-{[5-(trifluoromethyl)pyridin-2-yl]methyl}-1H-pyrazolo[4,3-c]quinoline-8-carbohydrazide
    14975 A1CN1 2 C40 H54 Br N7 O4 InChI=1S/C40H54BrN7O4/c1-
    28-24-30(41)15-18-33(28)3
    8(39(42)51)47-22-23-48-32
    (25-44-35(48)27-47)26-45-
    36(49)12-10-8-6-4-2-3-5-7
    -9-11-21-43-31-16-13-29(1
    4-17-31)34-19-20-37(50)46
    -40(34)52/h13-18,24-25,34
    ,38,43H,2-12,19-23,26-27H
    2,1H3,(H2,42,51)(H,45,49)
    (H,46,50,52)/t34-,38+/m1/
    s1;
    YNCAMPIZKSNQNP-BYYXFNHRSA-N    		 Cc1cc(ccc1C(C(=O)N)N2CCn3c(cnc3C2)CNC(=O
    )CCCCCCCCCCCCNc4ccc(cc4)C5CCC(=O)NC5=O)B
    r; Cc1cc(ccc1[C@@H](C(=O)N)N2CCn3c(cnc3C
    2)CNC(=O)CCCCCCCCCCCCNc4ccc(cc4)[C@H]5CC
    C(=O)NC5=O)Br; Cc1cc(Br)ccc1[CH](N2CCn3c
    (CNC(=O)CCCCCCCCCCCCNc4ccc(cc4)[CH]5CCC(
    =O)NC5=O)cnc3C2)C(N)=O; Cc1cc(Br)ccc1[C@
    H](N2CCn3c(CNC(=O)CCCCCCCCCCCCNc4ccc(cc4
    )[C@H]5CCC(=O)NC5=O)cnc3C2)C(N)=O; O=C1N
    C(=O)CCC1c1ccc(cc1)NCCCCCCCCCCCCC(=O)NCc
    1cnc2CN(CCn12)C(c1ccc(Br)cc1C)C(N)=O    		 N-({(4R)-7-[(1S)-2-amino-1-(4-bromo-2-methylphenyl)-2-oxoethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-3-yl}methyl)-13-{4-[(3R)-2,6-dioxopiperidin-3-yl]anilino}tridecanamide
    14976 A1CN2 9 C17 H21 F2 N3 O InChI=1S/C17H21F2N3O/c1-1
    1-6-13(21-16(20)7-11)10-2
    3-15-9-12(4-5-22(2)3)8-14
    (18)17(15)19/h6-9H,4-5,10
    H2,1-3H3,(H2,20,21);
    QWNQCAZGJZKYRU-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN(C)C; C
    c1cc(COc2cc(CCN(C)C)cc(F)c2F)nc(N)c1; CN
    (C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1    		 6-({5-[2-(dimethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
    14977 A1CN3 9 C16 H19 F2 N3 O InChI=1S/C16H19F2N3O/c1-1
    0-5-12(21-15(19)6-10)9-22
    -14-8-11(3-4-20-2)7-13(17
    )16(14)18/h5-8,20H,3-4,9H
    2,1-2H3,(H2,19,21);
    ZZDNZFBZKZFPJU-UHFFFAOYSA-N    		 CNCCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c1; Cc
    1cc(nc(c1)N)COc2cc(cc(c2F)F)CCNC; Cc1cc(
    COc2cc(CCNC)cc(F)c2F)nc(N)c1    		 6-({2,3-difluoro-5-[2-(methylamino)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
    14978 A1CN4 9 C18 H23 F2 N3 O InChI=1S/C18H23F2N3O/c1-4
    -23(3)6-5-13-9-15(19)18(2
    0)16(10-13)24-11-14-7-12(
    2)8-17(21)22-14/h7-10H,4-
    6,11H2,1-3H3,(H2,21,22);
    KKUQEGIUSYLMKC-UHFFFAOYSA-N    		 Cc1cc(COc2cc(CCN(C)CC)cc(F)c2F)nc(N)c1;
    CCN(C)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2)N)C
    ; CCN(C)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)
    c1    		 6-[(5-{2-[ethyl(methyl)amino]ethyl}-2,3-difluorophenoxy)methyl]-4-methylpyridin-2-amine
    14979 A1CN5 9 C18 H21 F2 N3 O InChI=1S/C18H21F2N3O/c1-1
    2-7-14(22-17(21)8-12)11-2
    4-16-10-13(9-15(19)18(16)
    20)3-6-23-4-2-5-23/h7-10H
    ,2-6,11H2,1H3,(H2,21,22);
    KHLLKNKFIJEKJT-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCC3;
    Cc1cc(nc(N)c1)COc1cc(CCN2CCC2)cc(F)c1F;
    Cc1cc(N)nc(COc2cc(CCN3CCC3)cc(F)c2F)c1    		 6-({5-[2-(azetidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
    14980 A1CN6 9 C20 H25 F2 N3 O InChI=1S/C20H25F2N3O/c1-1
    4-9-16(24-19(23)10-14)13-
    26-18-12-15(11-17(21)20(1
    8)22)5-8-25-6-3-2-4-7-25/
    h9-12H,2-8,13H2,1H3,(H2,2
    3,24);
    GOHKMAPFFMZNEQ-UHFFFAOYSA-N    		 Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CCCCC3
    ; Cc1cc(nc(N)c1)COc1cc(CCN2CCCCC2)cc(F)c
    1F; Cc1cc(N)nc(COc2cc(CCN3CCCCC3)cc(F)c2
    F)c1    		 6-({2,3-difluoro-5-[2-(piperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
    14981 A1CN7 9 C18 H20 F3 N3 O InChI=1S/C18H20F3N3O/c1-1
    1-4-14(23-17(22)5-11)10-2
    5-16-7-12(6-15(20)18(16)2
    1)2-3-24-8-13(19)9-24/h4-
    7,13H,2-3,8-10H2,1H3,(H2,
    22,23);
    SXEQIJRFMBCYEG-UHFFFAOYSA-N    		 Cc1cc(N)nc(COc2cc(CCN3CC(F)C3)cc(F)c2F)c
    1; Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3CC(
    C3)F; Cc1cc(nc(N)c1)COc1cc(CCN2CC(F)C2)c
    c(F)c1F    		 6-({2,3-difluoro-5-[2-(3-fluoroazetidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
    14982 A1CN8 8 C20 H24 F3 N3 O InChI=1S/C20H24F3N3O/c1-1
    3-8-16(25-19(24)9-13)12-2
    7-18-11-14(10-17(22)20(18
    )23)2-5-26-6-3-15(21)4-7-
    26/h8-11,15H,2-7,12H2,1H3
    ,(H2,24,25);
    GHGQQKFMHOQYBB-UHFFFAOYSA-N    		 Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)CC2)cc(F)
    c1F; Cc1cc(nc(c1)N)COc2cc(cc(c2F)F)CCN3C
    CC(CC3)F; Cc1cc(N)nc(COc2cc(CCN3CCC(F)CC
    3)cc(F)c2F)c1    		 6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine
    14983 A1CN9 9 C20 H23 F4 N3 O InChI=1S/C20H23F4N3O/c1-1
    3-8-15(26-18(25)9-13)12-2
    8-17-11-14(10-16(21)19(17
    )22)2-5-27-6-3-20(23,24)4
    -7-27/h8-11H,2-7,12H2,1H3
    ,(H2,25,26);
    SCIIYAFRXFMLOP-UHFFFAOYSA-N    		 Cc1cc(nc(N)c1)COc1cc(CCN2CCC(F)(F)CC2)cc
    (F)c1F; Cc1cc(N)nc(COc2cc(CCN3CCC(F)(F)C
    C3)cc(F)c2F)c1; Cc1cc(nc(c1)N)COc2cc(cc(
    c2F)F)CCN3CCC(CC3)(F)F    		 6-({5-[2-(4,4-difluoropiperidin-1-yl)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
    14984 A1CNG
    CHEMBL4743220    		 1 C16 H11 Br F N3 O2 InChI=1S/C16H11BrFN3O2/c1
    7-10-2-1-3-11(15(10)18)21
    -16-9-6-13-14(23-5-4-22-1
    3)7-12(9)19-8-20-16/h1-3,
    6-8H,4-5H2,(H,19,20,21);
    MTLUFWWVOINWEL-UHFFFAOYSA-N    		 Fc1c(Br)cccc1Nc2ncnc3cc4OCCOc4cc23; c1cc
    (c(c(c1)Br)F)Nc2c3cc4c(cc3ncn2)OCCO4; Br
    c1cccc(Nc2ncnc3cc4OCCOc4cc32)c1F    		 N-(3-bromo-2-fluorophenyl)-7,8-dihydro[1,4]dioxino[2,3-g]quinazolin-4-amine
    14985 A1CNI 2 C30 H38 F2 N2 O8 S InChI=1S/C30H38F2N2O8S/c1
    -17(2)14-34(43(38,39)22-4
    -5-23-19(12-22)3-6-26(23)
    35)15-27(36)25(11-18-9-20
    (31)13-21(32)10-18)33-30(
    37)42-28-16-41-29-24(28)7
    -8-40-29/h4-5,9-10,12-13,
    17,24-29,35-36H,3,6-8,11,
    14-16H2,1-2H3,(H,33,37)/t
    24-,25-,26-,27+,28-,29+/m
    0/s1;
    ONIZIZRIOJVEAP-KTVIODHASA-N    		 CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(
    =O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4c
    cc5[CH](O)CCc5c4; OC1CCc2cc(ccc21)S(=O)(
    =O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC(=O
    )OC1COC2OCCC12; CC(C)CN(CC(C(Cc1cc(cc(c1
    )F)F)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)c4cc
    c5c(c4)CCC5O; CC(C)CN(C[C@H]([C@H](Cc1cc
    (cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2C
    CO3)O)S(=O)(=O)c4ccc5c(c4)CC[C@@H]5O; CC
    (C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC
    (=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=
    O)c4ccc5[C@@H](O)CCc5c4    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    14986 A1CNJ 2 C30 H38 F2 N2 O8 S InChI=1S/C30H38F2N2O8S/c1
    -17(2)14-34(43(38,39)22-4
    -5-23-19(12-22)3-6-26(23)
    35)15-27(36)25(11-18-9-20
    (31)13-21(32)10-18)33-30(
    37)42-28-16-41-29-24(28)7
    -8-40-29/h4-5,9-10,12-13,
    17,24-29,35-36H,3,6-8,11,
    14-16H2,1-2H3,(H,33,37)/t
    24-,25-,26+,27+,28-,29+/m
    0/s1;
    ONIZIZRIOJVEAP-OUDUKYORSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)F)NC(
    =O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O
    )c4ccc5c(c4)CC[C@H]5O; CC(C)CN(C[CH](O)[
    CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO[CH]3O
    CC[CH]23)[S](=O)(=O)c4ccc5[CH](O)CCc5c4;
    CC(C)CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1
    )NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O
    )(=O)c4ccc5[C@H](O)CCc5c4; OC1CCc2cc(ccc
    21)S(=O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F
    )c1)NC(=O)OC1COC2OCCC12; CC(C)CN(CC(C(Cc
    1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S(=O
    )(=O)c4ccc5c(c4)CCC5O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}butan-2-yl]carbamate
    14987 A1CNK 2 C29 H38 F2 N2 O8 S InChI=1S/C29H38F2N2O8S/c1
    -17(2)14-33(42(37,38)23-6
    -4-20(5-7-23)18(3)34)15-2
    6(35)25(12-19-10-21(30)13
    -22(31)11-19)32-29(36)41-
    27-16-40-28-24(27)8-9-39-
    28/h4-7,10-11,13,17-18,24
    -28,34-35H,8-9,12,14-16H2
    ,1-3H3,(H,32,36)/t18-,24+
    ,25+,26-,27+,28-/m1/s1;
    YGCDTSFGKDOJLN-BBUOLNBTSA-N    		 CC(C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)NC(
    =O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c4c
    cc(cc4)[CH](C)O; C[C@H](c1ccc(cc1)S(=O)(
    =O)N(C[C@H]([C@H](Cc2cc(cc(c2)F)F)NC(=O)
    O[C@H]3CO[C@@H]4[C@H]3CCO4)O)CC(C)C)O; C
    C(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC
    3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC(C
    )CN(C[C@@H](O)[C@H](Cc1cc(F)cc(F)c1)NC(=
    O)O[C@H]2CO[C@H]3OCC[C@@H]23)[S](=O)(=O)
    c4ccc(cc4)[C@@H](C)O; CC(O)c1ccc(cc1)S(=
    O)(=O)N(CC(C)C)CC(O)C(Cc1cc(F)cc(F)c1)NC
    (=O)OC1COC2OCCC12    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl {(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[{4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}(2-methylpropyl)amino]butan-2-yl}carbamate
    14988 A1CNO 2 C32 H42 F2 N2 O8 S InChI=1S/C32H42F2N2O8S/c1
    -3-19(4-2)16-36(45(40,41)
    24-6-7-25-21(14-24)5-8-28
    (25)37)17-29(38)27(13-20-
    11-22(33)15-23(34)12-20)3
    5-32(39)44-30-18-43-31-26
    (30)9-10-42-31/h6-7,11-12
    ,14-15,19,26-31,37-38H,3-
    5,8-10,13,16-18H2,1-2H3,(
    H,35,39)/t26-,27-,28-,29+
    ,30-,31+/m0/s1;
    TUNBVFHGUDWCAR-NZHSYQGNSA-N    		 CCC(CC)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)N
    C(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c
    4ccc5[CH](O)CCc5c4; CCC(CC)CN(C[C@@H](O)
    [C@H](Cc1cc(F)cc(F)c1)NC(=O)O[C@H]2CO[C@
    H]3OCC[C@@H]23)[S](=O)(=O)c4ccc5[C@@H](O
    )CCc5c4; CCC(CC)CN(C[C@H]([C@H](Cc1cc(cc
    (c1)F)F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3
    )O)S(=O)(=O)c4ccc5c(c4)CC[C@@H]5O; CCC(C
    C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C
    2CCO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O; OC1CC
    c2cc(ccc21)S(=O)(=O)N(CC(CC)CC)CC(O)C(Cc
    1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC12    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-4-{(2-ethylbutyl)[(1S)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl]amino}-3-hydroxybutan-2-yl]carbamate
    14989 A1CNP 1 C25 H27 N3 O4 InChI=1S/C25H27N3O4/c29-2
    2-9-8-21(23(30)26-22)28-1
    6-18-14-19(6-7-20(18)24(2
    8)31)25(32)10-12-27(13-11
    -25)15-17-4-2-1-3-5-17/h1
    -7,14,21,32H,8-13,15-16H2
    ,(H,26,29,30)/t21-/m0/s1;
    JLBQVXKEOWCSBT-NRFANRHFSA-N    		 c1ccc(cc1)CN2CCC(CC2)(c3ccc4c(c3)CN(C4=O
    )[C@H]5CCC(=O)NC5=O)O; OC1(CCN(CC1)Cc2cc
    ccc2)c3ccc4C(=O)N(Cc4c3)[C@H]5CCC(=O)NC5
    =O; OC1(CCN(CC1)Cc2ccccc2)c3ccc4C(=O)N(C
    c4c3)[CH]5CCC(=O)NC5=O; c1ccc(cc1)CN2CCC
    (CC2)(c3ccc4c(c3)CN(C4=O)C5CCC(=O)NC5=O)
    O; O=C1NC(=O)CCC1N1Cc2cc(ccc2C1=O)C1(O)C
    CN(Cc2ccccc2)CC1    		 (3S)-3-[5-(1-benzyl-4-hydroxypiperidin-4-yl)-1-oxo-1,3-dihydro-2H-isoindol-2-yl]piperidine-2,6-dione
    14990 A1CNQ 8 C15 H15 Br N4 O InChI=1S/C15H15BrN4O/c16-
    12-3-1-10(2-4-12)14(15(17
    )21)20-6-5-11-7-18-9-19-1
    3(11)8-20/h1-4,7,9,14H,5-
    6,8H2,(H2,17,21)/t14-/m0/
    s1;
    HVNREMAUPHVTGZ-AWEZNQCLSA-N    		 NC(=O)[CH](N1CCc2cncnc2C1)c3ccc(Br)cc3;
    c1cc(ccc1[C@@H](C(=O)N)N2CCc3cncnc3C2)Br
    ; c1cc(ccc1C(C(=O)N)N2CCc3cncnc3C2)Br; N
    C(=O)[C@@H](N1CCc2cncnc2C1)c3ccc(Br)cc3;
    Brc1ccc(cc1)C(C(N)=O)N1CCc2cncnc2C1    		 (2S)-2-(4-bromophenyl)-2-(5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)acetamide
    14991 A1CNT 0 C10 H15 N2 O8 P InChI=1S/C10H15N2O8P/c1-5
    -2-12(10(15)11-8(5)14)9-7
    (13)6(3-19-9)4-20-21(16,1
    7)18/h2,6-7,9,13H,3-4H2,1
    H3,(H,11,14,15)(H2,16,17,
    18)/t6-,7-,9-/m1/s1;
    CLFGYSCORDJBPE-ZXFLCMHBSA-N    		 CC1=CN([CH]2OC[CH](CO[P](O)(O)=O)[CH]2O)
    C(=O)NC1=O; O=P(O)(O)OCC1COC(N2C=C(C)C(=
    O)NC2=O)C1O; CC1=CN([C@@H]2OC[C@H](CO[P]
    (O)(O)=O)[C@H]2O)C(=O)NC1=O; CC1=CN(C(=O
    )NC1=O)[C@H]2[C@@H]([C@H](CO2)COP(=O)(O)
    O)O; CC1=CN(C(=O)NC1=O)C2C(C(CO2)COP(=O)
    (O)O)O    		 [(3R,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)oxolan-3-yl]methyl dihydrogen phosphate
    14992 A1CNU
    CHEMBL5314462
    DB21613    		 2 C15 H14 F N3 O InChI=1S/C15H14FN3O/c16-1
    1-8-12(9-4-2-1-3-5-9)19-1
    5(11)17-14(18-19)13(20)10
    -6-7-10/h1-5,10-12H,6-8H2
    /t11-,12-/m0/s1;
    LMXPZWQVDDSYHH-RYUDHWBXSA-N    		 c1ccc(cc1)C2CC(c3n2nc(n3)C(=O)C4CC4)F; F
    [C@H]1C[C@H](n2nc(nc12)C(=O)C3CC3)c4cccc
    c4; c1ccc(cc1)[C@@H]2C[C@@H](c3n2nc(n3)C
    (=O)C4CC4)F; F[CH]1C[CH](n2nc(nc12)C(=O)
    C3CC3)c4ccccc4; FC1CC(c2ccccc2)n2nc(nc12
    )C(=O)C1CC1    		 cyclopropyl[(4R,5S,7S)-7-fluoro-5-phenyl-6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-yl]methanone
    14993 A1CNV 4 C12 H10 Cl2 N2 O2 InChI=1S/C12H10Cl2N2O2/c1
    -18-12(17)11-5-6-16(15-11
    )7-8-9(13)3-2-4-10(8)14/h
    2-6H,7H2,1H3;
    CLGZXCPIPUTMMX-UHFFFAOYSA-N    		 COC(=O)c1ccn(n1)Cc2c(cccc2Cl)Cl; COC(=O)
    c1ccn(Cc2c(Cl)cccc2Cl)n1; O=C(OC)c1ccn(C
    c2c(Cl)cccc2Cl)n1    		 methyl 1-[(2,6-dichlorophenyl)methyl]-1H-pyrazole-3-carboxylate
    14994 A1CNY 2 C30 H40 F2 N2 O8 S InChI=1S/C30H40F2N2O8S/c1
    -4-18(2)15-34(43(38,39)24
    -7-5-21(6-8-24)19(3)35)16
    -27(36)26(13-20-11-22(31)
    14-23(32)12-20)33-30(37)4
    2-28-17-41-29-25(28)9-10-
    40-29/h5-8,11-12,14,18-19
    ,25-29,35-36H,4,9-10,13,1
    5-17H2,1-3H3,(H,33,37)/t1
    8-,19-,25-,26-,27+,28-,29
    +/m0/s1;
    TWPFEZUGJPMUHE-MPGHVIBCSA-N    		 CC[C@H](C)CN(C[C@H]([C@H](Cc1cc(cc(c1)F)
    F)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=
    O)(=O)c4ccc(cc4)[C@H](C)O; CCC(C)CN(CC(C
    (Cc1cc(cc(c1)F)F)NC(=O)OC2COC3C2CCO3)O)S
    (=O)(=O)c4ccc(cc4)C(C)O; CC[CH](C)CN(C[C
    H](O)[CH](Cc1cc(F)cc(F)c1)NC(=O)O[CH]2CO
    [CH]3OCC[CH]23)[S](=O)(=O)c4ccc(cc4)[CH]
    (C)O; CC(O)c1ccc(cc1)S(=O)(=O)N(CC(C)CC)
    CC(O)C(Cc1cc(F)cc(F)c1)NC(=O)OC1COC2OCCC
    12; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1cc(F
    )cc(F)c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]2
    3)[S](=O)(=O)c4ccc(cc4)[C@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1S)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate
    14995 A1CNZ 2 C30 H40 N2 O8 S InChI=1S/C30H40N2O8S/c1-1
    9(2)16-32(41(36,37)22-9-1
    0-23-21(15-22)8-11-26(23)
    33)17-27(34)25(14-20-6-4-
    3-5-7-20)31-30(35)40-28-1
    8-39-29-24(28)12-13-38-29
    /h3-7,9-10,15,19,24-29,33
    -34H,8,11-14,16-18H2,1-2H
    3,(H,31,35)/t24-,25-,26+,
    27+,28-,29+/m0/s1;
    ZUJYSJKUYHLPON-OUDUKYORSA-N    		 CC(C)CN(C[C@H]([C@H](Cc1ccccc1)NC(=O)O[C
    @H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)c4ccc
    5c(c4)CC[C@H]5O; CC(C)CN(C[CH](O)[CH](Cc
    1ccccc1)NC(=O)O[CH]2CO[CH]3OCC[CH]23)[S]
    (=O)(=O)c4ccc5[CH](O)CCc5c4; CC(C)CN(C[C
    @@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C
    @H]3OCC[C@@H]23)[S](=O)(=O)c4ccc5[C@H](O
    )CCc5c4; OC1CCc2cc(ccc21)S(=O)(=O)N(CC(C
    )C)CC(O)C(Cc1ccccc1)NC(=O)OC1COC2OCCC12;
    CC(C)CN(CC(C(Cc1ccccc1)NC(=O)OC2COC3C2C
    CO3)O)S(=O)(=O)c4ccc5c(c4)CCC5O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(1R)-1-hydroxy-2,3-dihydro-1H-indene-5-sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
    14996 A1COA 5 C19 H25 F2 N3 O InChI=1S/C19H25F2N3O/c1-4
    -24(5-2)7-6-14-10-16(20)1
    9(21)17(11-14)25-12-15-8-
    13(3)9-18(22)23-15/h8-11H
    ,4-7,12H2,1-3H3,(H2,22,23
    );
    LFXFIXSVMRZERO-UHFFFAOYSA-N    		 CCN(CC)CCc1cc(F)c(F)c(OCc2cc(C)cc(N)n2)c
    1; CCN(CC)CCc1cc(c(c(c1)F)F)OCc2cc(cc(n2
    )N)C; Cc1cc(COc2cc(CCN(CC)CC)cc(F)c2F)nc
    (N)c1    		 6-({5-[2-(diethylamino)ethyl]-2,3-difluorophenoxy}methyl)-4-methylpyridin-2-amine
    14997 A1COE 2 C30 H40 F2 N2 O8 S InChI=1S/C30H40F2N2O8S/c1
    -4-18(2)15-34(43(38,39)24
    -7-5-21(6-8-24)19(3)35)16
    -27(36)26(13-20-11-22(31)
    14-23(32)12-20)33-30(37)4
    2-28-17-41-29-25(28)9-10-
    40-29/h5-8,11-12,14,18-19
    ,25-29,35-36H,4,9-10,13,1
    5-17H2,1-3H3,(H,33,37)/t1
    8-,19+,25-,26-,27+,28-,29
    +/m0/s1;
    TWPFEZUGJPMUHE-VCXVXRJXSA-N    		 CCC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)OC2C
    OC3C2CCO3)O)S(=O)(=O)c4ccc(cc4)C(C)O; CC
    [CH](C)CN(C[CH](O)[CH](Cc1cc(F)cc(F)c1)N
    C(=O)O[CH]2CO[CH]3OCC[CH]23)[S](=O)(=O)c
    4ccc(cc4)[CH](C)O; CC(O)c1ccc(cc1)S(=O)(
    =O)N(CC(C)CC)CC(O)C(Cc1cc(F)cc(F)c1)NC(=
    O)OC1COC2OCCC12; CC[C@H](C)CN(C[C@H]([C@
    H](Cc1cc(cc(c1)F)F)NC(=O)O[C@H]2CO[C@@H]
    3[C@H]2CCO3)O)S(=O)(=O)c4ccc(cc4)[C@@H](
    C)O; CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1cc(
    F)cc(F)c1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]
    23)[S](=O)(=O)c4ccc(cc4)[C@@H](C)O    		 (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-({4-[(1R)-1-hydroxyethyl]benzene-1-sulfonyl}[(2S)-2-methylbutyl]amino)butan-2-yl]carbamate
    14998 A1COF 1 C17 H14 F2 N4 O4 InChI=1S/C17H14F2N4O4/c18
    -10-2-1-8(11(19)5-10)6-22
    -16(25)13-14(20)12-9(7-24
    )3-4-21-15(12)23(27)17(13
    )26/h1-5,24,27H,6-7,20H2,
    (H,22,25);
    GAJNOXPBHJNHIV-UHFFFAOYSA-N    		 NC1=C(C(=O)NCc2ccc(F)cc2F)C(=O)N(O)c3ncc
    c(CO)c13; Fc1ccc(CNC(=O)C2=C(N)c3c(nccc3
    CO)N(O)C2=O)c(F)c1; c1cc(c(cc1F)F)CNC(=O
    )C2=C(c3c(ccnc3N(C2=O)O)CO)N    		 4-amino-N-[(2,4-difluorophenyl)methyl]-1-hydroxy-5-(hydroxymethyl)-2-oxo-1,2-dihydro-1,8-naphthyridine-3-carboxamide
    14999 A1COK 1 C20 H24 F3 N3 O InChI=1S/C20H24F3N3O/c1-1
    3-7-16(25-19(24)8-13)12-2
    7-18-10-14(9-17(22)20(18)
    23)4-6-26-5-2-3-15(21)11-
    26/h7-10,15H,2-6,11-12H2,
    1H3,(H2,24,25)/t15-/m0/s1;
    BJWXCSTUZUPYSC-HNNXBMFYSA-N    		 Cc1cc(N)nc(COc2cc(CCN3CCC[CH](F)C3)cc(F)
    c2F)c1; Cc1cc(nc(N)c1)COc1cc(CCN2CCCC(F)
    C2)cc(F)c1F; Cc1cc(nc(c1)N)COc2cc(cc(c2F
    )F)CCN3CCCC(C3)F; Cc1cc(N)nc(COc2cc(CCN3
    CCC[C@H](F)C3)cc(F)c2F)c1; Cc1cc(nc(c1)N
    )COc2cc(cc(c2F)F)CCN3CCC[C@@H](C3)F    		 6-[(2,3-difluoro-5-{2-[(3S)-3-fluoropiperidin-1-yl]ethyl}phenoxy)methyl]-4-methylpyridin-2-amine
    15000 A1CQ0 3 C28 H28 Cl N5 O2 InChI=1S/C28H28ClN5O2/c29
    -25-22(28(36)30-15-13-23(
    35)33-16-7-8-17-33)19-31-
    27-24(25)26(21-11-5-2-6-1
    2-21)32-34(27)18-14-20-9-
    3-1-4-10-20/h1-6,9-12,19H
    ,7-8,13-18H2,(H,30,36);
    DJVUDQJDGKLLLE-UHFFFAOYSA-N    		 O=C(CCNC(=O)c1cnc2c(c1Cl)c(nn2CCc1ccccc1
    )c1ccccc1)N1CCCC1; c1ccc(cc1)CCn2c3c(c(c
    (cn3)C(=O)NCCC(=O)N4CCCC4)Cl)c(n2)c5cccc
    c5; Clc1c(cnc2n(CCc3ccccc3)nc(c4ccccc4)c
    12)C(=O)NCCC(=O)N5CCCC5    		 4-chloro-N-[3-oxo-3-(pyrrolidin-1-yl)propyl]-3-phenyl-1-(2-phenylethyl)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
    Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).