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  • 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 ";".

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    21201 FU8 2 C7 H4 Fe2 N2 O3 S2 InChI=1S/C2H4S2.2CN.3CO.2
    Fe/c3-1-2-4;5*1-2;;/h1-2H
    2;;;;;;;/q;;;;2*+1;;;
    MZEMAHMYMVUPIF-UHFFFAOYSA-N    		 C1C[S]2[Fe]3([S]1[Fe]2(C3=O)(C#N)C#[O+])
    (C#N)C#[O+]; O=C1[Fe](SCCS[Fe]1(C#N)C#[O
    +])(C#N)C#[O+]    		 dicarbonyl[bis(cyanide-kappaC)]-mu-(ethanethiolatato-1kappaS:2kappaS)-mu-(ox omethylidene)diiron(2+)
    21202 FU9
    CHEMBL1682297
    ZINC000066102247    		 1 C22 H16 F3 N5 O2 InChI=1S/C22H16F3N5O2/c23
    -22(24,25)12-2-1-3-14(9-1
    2)27-19-18-16(10-26-21(30
    -18)28-13-5-6-13)15-7-4-1
    1(20(31)32)8-17(15)29-19/
    h1-4,7-10,13H,5-6H2,(H,27
    ,29)(H,31,32)(H,26,28,30);
    UXZATHOFDZQOMY-UHFFFAOYSA-N    		 c1cc(cc(c1)Nc2c3c(cnc(n3)NC4CC4)c5ccc(cc
    5n2)C(=O)O)C(F)(F)F; FC(F)(F)c1cc(ccc1)N
    c5nc2cc(C(=O)O)ccc2c3c5nc(nc3)NC4CC4; OC
    (=O)c1ccc2c(c1)nc(Nc3cccc(c3)C(F)(F)F)c4
    nc(NC5CC5)ncc24    		 3-(cyclopropylamino)-5-{[3-(trifluoromethyl)phenyl]amino}pyrimido[4,5-c]quinoline-8-carboxylic acid;
    CX-5279
    21203 FUA
    CHEMBL374975
    DB02703
    ZINC000008143796    		 58 C31 H48 O6 InChI=1S/C31H48O6/c1-17(2
    )9-8-10-20(28(35)36)26-22
    -15-24(34)27-29(5)13-12-2
    3(33)18(3)21(29)11-14-30(
    27,6)31(22,7)16-25(26)37-
    19(4)32/h9,18,21-25,27,33
    -34H,8,10-16H2,1-7H3,(H,3
    5,36)/b26-20-/t18-,21-,22
    -,23+,24+,25-,27-,29-,30-
    ,31-/m0/s1;
    IECPWNUMDGFDKC-MZJAQBGESA-N    		 C[C@@H]1[C@H](O)CC[C@@]2(C)[C@H]1CC[C@@]
    3(C)[C@H]2[C@H](O)C[C@H]4\C([C@H](C[C@]3
    4C)OC(C)=O)=C(/CCC=C(C)C)C(O)=O; C[CH]1[
    CH](O)CC[C]2(C)[CH]1CC[C]3(C)[CH]2[CH](O
    )C[CH]4C([CH](C[C]34C)OC(C)=O)=C(CCC=C(C
    )C)C(O)=O; CC1C2CCC3(C(C2(CCC1O)C)C(CC4C
    3(CC(C4=C(CCC=C(C)C)C(=O)O)OC(=O)C)C)O)C
    ; C[C@H]1[C@@H]2CC[C@]3([C@H]([C@]2(CC[C
    @H]1O)C)[C@@H](C[C@@H]\4[C@@]3(C[C@@H](/
    C4=C(/CCC=C(C)C)\C(=O)O)OC(=O)C)C)O)C; O
    =C(O)/C(=C2/C1CC(O)C3C(C1(CC2OC(=O)C)C)(
    C)CCC4C(C)C(O)CCC34C)CC\C=C(/C)C    		 FUSIDIC ACID
    21204 FUB
    ZINC000004097027    		 221 C5 H10 O5 InChI=1S/C5H10O5/c6-1-2-3
    (7)4(8)5(9)10-2/h2-9H,1H2
    /t2-,3-,4+,5-/m0/s1;
    HMFHBZSHGGEWLO-KLVWXMOXSA-N    		 OC[C@@H]1O[C@H](O)[C@H](O)[C@H]1O; C([C@
    H]1[C@@H]([C@H]([C@H](O1)O)O)O)O; C(C1C(
    C(C(O1)O)O)O)O; OC[CH]1O[CH](O)[CH](O)[C
    H]1O; OC1C(OC(O)C1O)CO    		 beta-L-arabinofuranose;
    beta-L-arabinose;
    L-arabinose;
    arabinose
    21205 FUC
    CHEMBL1232862
    DB04473
    ZINC000001532814    		 1647 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6+/m0/s
    1;
    SHZGCJCMOBCMKK-SXUWKVJYSA-N    		 C[C@@H]1O[C@@H](O)[C@@H](O)[C@H](O)[C@@H
    ]1O; OC1C(O)C(OC(O)C1O)C; CC1C(C(C(C(O1)
    O)O)O)O; C[C@H]1[C@H]([C@H]([C@@H]([C@@H
    ](O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](
    O)[CH]1O    		 alpha-L-fucopyranose;
    alpha-L-fucose;
    6-deoxy-alpha-L-galactopyranose;
    L-fucose;
    fucose
    21206 FUD
    CHEMBL1232863
    ZINC000001532049    		 54 C6 H12 O6 InChI=1S/C6H12O6/c7-1-3(9
    )5(11)6(12)4(10)2-8/h3,5-
    9,11-12H,1-2H2/t3-,5-,6-/
    m1/s1;
    BJHIKXHVCXFQLS-UYFOZJQFSA-N    		 OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO; O=C
    (C(O)C(O)C(O)CO)CO; C(C(C(C(C(=O)CO)O)O)
    O)O; C([C@H]([C@H]([C@@H](C(=O)CO)O)O)O)
    O; OC[CH](O)[CH](O)[CH](O)C(=O)CO    		 D-fructose
    21207 FUE
    CHEMBL4175992    		 1 C32 H36 F N5 O2 InChI=1S/C32H36FN5O2/c1-2
    1-16-36(26(15-34-21)18-37
    -17-24-6-4-5-7-27(24)31(3
    7)40)19-29(39)38-20-32(2,
    3)30-28(38)13-23(14-35-30
    )12-22-8-10-25(33)11-9-22
    /h4-11,13-14,21,26,34H,12
    ,15-20H2,1-3H3/t21-,26-/m
    1/s1;
    XYDGOXJJDFKAAT-QFQXNSOFSA-N    		 CC1CN(C(CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(
    c5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN
    ([C@H](CN1)CN2Cc3ccccc3C2=O)CC(=O)N4CC(c
    5c4cc(cn5)Cc6ccc(cc6)F)(C)C; C[C@@H]1CN(
    CC(=O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)
    [C@H](CN1)CN5Cc6ccccc6C5=O; C[CH]1CN(CC(
    =O)N2CC(C)(C)c3ncc(Cc4ccc(F)cc4)cc23)[CH
    ](CN1)CN5Cc6ccccc6C5=O    		 2-[[(2~{R},5~{R})-1-[2-[6-[(4-fluorophenyl)methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-oxidanylidene-ethyl]-5-methyl-piperazin-2-yl]methyl]-3~{H}-isoindol-1-one
    21208 FUF
    ZINC000006499605    		 7 C6 H11 F O4 InChI=1S/C6H11FO4/c1-2-4(
    8)5(9)3(7)6(10)11-2/h2-6,
    8-10H,1H3/t2-,3-,4+,5-,6-
    /m0/s1;
    IRKXGKIPOMIQOD-QYESYBIKSA-N    		 C[C@@H]1O[C@H](O)[C@@H](F)[C@H](O)[C@@H]
    1O; C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O
    )F)O)O; FC1C(O)C(O)C(OC1O)C; C[CH]1O[CH]
    (O)[CH](F)[CH](O)[CH]1O; CC1C(C(C(C(O1)O
    )F)O)O    		 2-deoxy-2-fluoro-beta-L-fucopyranose;
    2,6-DIDEOXY-2-FLUORO-BETA-L-LYXO-HEXOPYRANOSE;
    2,6-dideoxy-2-fluoro-beta-L-galactopyranose;
    2-deoxy-2-fluoro-beta-L-fucose;
    2-deoxy-2-fluoro-L-fucose;
    2-deoxy-2-fluoro-fucose
    21209 FUG
    ZINC000015295075    		 3 C26 H36 O7 InChI=1S/C26H36O7/c1-18(2
    )14-15-20-26(4,33-20)24-2
    3(31-5)19(16-17-25(24,3)3
    0)32-22(29)13-11-9-7-6-8-
    10-12-21(27)28/h6-14,19-2
    0,23-24,30H,15-17H2,1-5H3
    ,(H,27,28)/b8-6+,9-7+,12-
    10+,13-11+/t19-,20-,23-,2
    4+,25-,26+/m1/s1;
    XXVWUXWNPOXVQB-ZFSLZHKLSA-N    		 CC(=CCC1C(O1)(C)C2C(C(CCC2(C)O)OC(=O)C=C
    C=CC=CC=CC(=O)O)OC)C; CC(=CC[C@@H]1[C@@]
    (O1)(C)[C@H]2[C@@H]([C@@H](CC[C@@]2(C)O)
    OC(=O)C=C\C=C\C=C\C=C\C(=O)O)OC)C; CO[CH
    ]1[CH](CC[C](C)(O)[CH]1[C]2(C)O[CH]2CC=C
    (C)C)OC(=O)C=CC=CC=CC=CC(O)=O; CO[C@@H]1
    [C@@H](CC[C@@](C)(O)[C@H]1[C@@]2(C)O[C@@
    H]2CC=C(C)C)OC(=O)\C=C\C=C\C=C\C=C\C(O)=
    O; O=C(O)\C=C\C=C\C=C\C=C\C(=O)OC2CCC(O)
    (C(C1(OC1C/C=C(/C)C)C)C2OC)C    		 FUMAGILLIN
    21210 FUH
    ZINC000584905583    		 1 C20 H33 N3 O16 P2 InChI=1S/C20H33N3O16P2/c1
    -8-6-23(20(30)22-18(8)29)
    14-5-11(25)12(37-14)7-35-
    40(31,32)39-41(33,34)38-1
    9-17(28)15(16(27)10(3)36-
    19)21-13(26)4-9(2)24/h6,9
    -12,14-17,19,24-25,27-28H
    ,4-5,7H2,1-3H3,(H,21,26)(
    H,31,32)(H,33,34)(H,22,29
    ,30)/t9-,10-,11+,12-,14-,
    15+,16+,17-,19-/m1/s1;
    SFDGKYQEVYNQBU-NKKVZDNESA-N    		 C[C@@H](O)CC(=O)N[C@H]1[C@@H](O)[C@@H](C
    )O[C@H](O[P](O)(=O)O[P](O)(=O)OC[C@H]2O[
    C@H](C[C@@H]2O)N3C=C(C)C(=O)NC3=O)[C@@H]
    1O; C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1
    )OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H
    ](O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=O)C[C@@H
    ](C)O)O; CC1C(C(C(C(O1)OP(=O)(O)OP(=O)(O
    )OCC2C(CC(O2)N3C=C(C(=O)NC3=O)C)O)O)NC(=
    O)CC(C)O)O; C[CH](O)CC(=O)N[CH]1[CH](O)[
    CH](C)O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]
    2O[CH](C[CH]2O)N3C=C(C)C(=O)NC3=O)[CH]1O
    21211 FUI
    CHEMBL379761
    ZINC000014976923    		 1 C20 H21 Cl N4 O2 InChI=1S/C20H21ClN4O2/c1-
    13(2)18-17(23-20(27)22-15
    -11-9-14(21)10-12-15)19(2
    6)25(24(18)3)16-7-5-4-6-8
    -16/h4-13H,1-3H3,(H2,22,2
    3,27);
    PAEBEUZTAPIOIO-UHFFFAOYSA-N    		 Clc1ccc(cc1)NC(=O)NC=1C(=O)N(c2ccccc2)N(
    C)C=1C(C)C; CC(C)C1=C(C(=O)N(N1C)c2ccccc
    2)NC(=O)Nc3ccc(cc3)Cl; CC(C)C1=C(NC(=O)N
    c2ccc(Cl)cc2)C(=O)N(N1C)c3ccccc3    		 N-(4-chlorophenyl)-N'-[1-methyl-3-oxo-2-phenyl-5-(propan-2-yl)-2,3-dihydro-1H-pyrazol-4-yl]urea
    21212 FUJ
    CHEMBL4460704
    ZINC000001872056    		 2 C11 H11 O6 P InChI=1S/C11H11O6P/c1-16-
    8-2-3-9-7(6-18(13,14)15)4
    -11(12)17-10(9)5-8/h2-5H,
    6H2,1H3,(H2,13,14,15);
    HFSBVOLOSSLWNW-UHFFFAOYSA-N    		 COc1ccc2c(c1)OC(C=C2CP(O)(O)=O)=O; COc1c
    cc2c(c1)OC(=O)C=C2CP(=O)(O)O; COc1ccc2C(
    =CC(=O)Oc2c1)C[P](O)(O)=O    		 [(7-methoxy-2-oxo-2H-1-benzopyran-4-yl)methyl]phosphonic acid
    21213 FUK
    CHEMBL4170539    		 2 C30 H42 F N5 O3 InChI=1S/C30H42FN5O3/c1-1
    9-13-34(25(12-32-19)14-35
    -20(2)16-39-17-21(35)3)15
    -27(37)36-18-30(4,5)29-26
    (36)10-23(11-33-29)28(38)
    22-6-8-24(31)9-7-22/h6-11
    ,19-21,25,28,32,38H,12-18
    H2,1-5H3/t19-,20-,21-,25-
    ,28+/m1/s1;
    MVQVBQBVVYPBCQ-DTRJGPSISA-N    		 CC1CN(C(CN1)CN2C(COCC2C)C)CC(=O)N3CC(c4c
    3cc(cn4)C(c5ccc(cc5)F)O)(C)C; C[C@@H]1CN
    ([C@H](CN1)CN2[C@@H](COC[C@H]2C)C)CC(=O)
    N3CC(c4c3cc(cn4)[C@H](c5ccc(cc5)F)O)(C)C
    ; C[CH]1CN(CC(=O)N2CC(C)(C)c3ncc(cc23)[C
    H](O)c4ccc(F)cc4)[CH](CN1)CN5[CH](C)COC[
    CH]5C; C[C@@H]1CN(CC(=O)N2CC(C)(C)c3ncc(
    cc23)[C@@H](O)c4ccc(F)cc4)[C@H](CN1)CN5[
    C@H](C)COC[C@H]5C    		 2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
    21214 FUL
    CHEMBL1230861
    DB03283
    ZINC000001532813    		 246 C6 H12 O5 InChI=1S/C6H12O5/c1-2-3(7
    )4(8)5(9)6(10)11-2/h2-10H
    ,1H3/t2-,3+,4+,5-,6-/m0/s
    1;
    SHZGCJCMOBCMKK-KGJVWPDLSA-N    		 C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)O)O)O
    )O; OC1C(O)C(OC(O)C1O)C; C[C@@H]1O[C@H](
    O)[C@@H](O)[C@H](O)[C@@H]1O; CC1C(C(C(C(
    O1)O)O)O)O; C[CH]1O[CH](O)[CH](O)[CH](O)
    [CH]1O    		 beta-L-fucopyranose;
    beta-L-fucose;
    6-deoxy-beta-L-galactopyranose;
    L-fucose;
    fucose;
    6-DEOXY-BETA-L-GALACTOSE
    21215 FUM
    CHEMBL503160
    DB01677
    ZINC000003860193    		 167 C4 H4 O4 InChI=1S/C4H4O4/c5-3(6)1-
    2-4(7)8/h1-2H,(H,5,6)(H,7
    ,8)/b2-1+;
    VZCYOOQTPOCHFL-OWOJBTEDSA-N    		 C(=CC(=O)O)C(=O)O; C(=C/C(=O)O)\C(=O)O;
    OC(=O)\C=C\C(O)=O; O=C(O)\C=C\C(=O)O; OC
    (=O)C=CC(O)=O    		 FUMARIC ACID
    21216 FUN
    CHEMBL35
    DB00695
    ZINC000000035804    		 15 C12 H11 Cl N2 O5 S InChI=1S/C12H11ClN2O5S/c1
    3-9-5-10(15-6-7-2-1-3-20-
    7)8(12(16)17)4-11(9)21(14
    ,18)19/h1-5,15H,6H2,(H,16
    ,17)(H2,14,18,19);
    ZZUFCTLCJUWOSV-UHFFFAOYSA-N    		 O=S(=O)(N)c1c(Cl)cc(c(C(=O)O)c1)NCc2occc
    2; c1cc(oc1)CNc2cc(c(cc2C(=O)O)S(=O)(=O)
    N)Cl; N[S](=O)(=O)c1cc(C(O)=O)c(NCc2occc
    2)cc1Cl    		 5-(AMINOSULFONYL)-4-CHLORO-2-[(2-FURYLMETHYL)AMINO]BENZOIC ACID;
    Furosemide
    21217 FUO
    CHEMBL5088088    		 4 C31 H36 N4 O3 InChI=1S/C31H36N4O3/c36-3
    0(33-22-25-4-2-1-3-5-25)2
    1-28-11-8-27(23-32-28)26-
    9-12-29(13-10-26)38-19-18
    -34-14-16-35(17-15-34)31(
    37)20-24-6-7-24/h1-5,8-13
    ,23-24H,6-7,14-22H2,(H,33
    ,36);
    ZSFOXUGASROPSO-UHFFFAOYSA-N    		 O=C(Cc1ccc(cn1)c2ccc(OCCN3CCN(CC3)C(=O)C
    C4CC4)cc2)NCc5ccccc5; c1ccc(cc1)CNC(=O)C
    c2ccc(cn2)c3ccc(cc3)OCCN4CCN(CC4)C(=O)CC
    5CC5    		 2-[5-[4-[2-[4-(2-cyclopropylethanoyl)piperazin-1-yl]ethoxy]phenyl]pyridin-2-yl]-N-(phenylmethyl)ethanamide
    21218 FUP
    DB04068
    ZINC000012504122    		 1 C9 H13 F N2 O10 P2 InChI=1S/C9H13FN2O10P2/c1
    0-5-3-8(12-2-1-7(13)11-9(
    12)14)21-6(5)4-20-24(18,1
    9)22-23(15,16)17/h1-2,5-6
    ,8H,3-4H2,(H,18,19)(H,11,
    13,14)(H2,15,16,17)/t5-,6
    +,8+/m0/s1;
    WLQBZMZTRNPUDL-SHYZEUOFSA-N    		 C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)OP(=O
    )(O)O)F; C1[C@@H]([C@H](O[C@H]1N2C=CC(=O
    )NC2=O)CO[P@](=O)(O)OP(=O)(O)O)F; O[P](O
    )(=O)O[P@](O)(=O)OC[C@H]1O[C@H](C[C@@H]1
    F)N2C=CC(=O)NC2=O; O=P(O)(O)OP(=O)(O)OCC
    2OC(N1C(=O)NC(=O)C=C1)CC2F; O[P](O)(=O)O
    [P](O)(=O)OC[CH]1O[CH](C[CH]1F)N2C=CC(=O
    )NC2=O    		 2',3'-DIDEOXY-3'-FLUORO-URIDIDINE-5'-DIPHOSPHATE;
    FUDP
    21219 FUQ 13 H20 Mo5 O25 InChI=1S/5Mo.20H2O.5O/h;;
    ;;;20*1H2;;;;;/q5*+4;;;;;
    ;;;;;;;;;;;;;;;;;;;;/p-20;
    KKTGFJKWMBVMER-UHFFFAOYSA-A    		 O[Mo]1(O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)
    (O)(O)(O)O[Mo](O)(O)(O)(O)O[Mo](O)(O)(O)
    (O)O1; O[Mo]1(O[Mo](O[Mo](O[Mo](O[Mo](O1
    )(O)(O)(O)O)(O)(O)(O)O)(O)(O)(O)O)(O)(O)
    (O)O)(O)(O)O    		 Mo5 Cluster
    21220 FUR
    ZINC000033821307    		 4 C8 H5 N3 O5 InChI=1S/C8H5N3O5/c12-8-1
    0(3-4-15-8)9-5-6-1-2-7(16
    -6)11(13)14/h1-5H/b9-5+;
    OEJYWOUVKXLNIN-WEVVVXLNSA-N    		 [O-][N+](=O)c1oc(cc1)C=NN2C=COC2=O; O=C2
    OC=CN2/N=C/c1oc([N+]([O-])=O)cc1; [O-][N
    +](=O)c1oc(cc1)\C=N\N2C=COC2=O; c1cc(oc1
    C=NN2C=COC2=O)[N+](=O)[O-]    		 Furazolidone
    21221 FUS
    CHEMBL355001
    ZINC000238809258    		 1 H4 N2 O2 S InChI=1S/H4N2O2S/c1-5(2,3
    )4/h(H4,1,2,3,4);
    NVBFHJWHLNUMCV-UHFFFAOYSA-N    		 N[S](N)(=O)=O; NS(=O)(=O)N sulfuric diamide
    21222 FUU
    CHEMBL4576082
    ZINC000095920723    		 2 C16 H14 N4 O6 InChI=1S/C16H14N4O6/c21-1
    3(22)9-25-11-4-1-3-10(7-1
    1)8-17-15(23)18-16-20-19-
    14(26-16)12-5-2-6-24-12/h
    1-7H,8-9H2,(H,21,22)(H2,1
    7,18,20,23);
    COAUEHYQQBGZLC-UHFFFAOYSA-N    		 O=C(Nc1nnc(o1)c2occc2)NCc3cccc(OCC(=O)O)
    c3; OC(=O)COc1cccc(CNC(=O)Nc2oc(nn2)c3oc
    cc3)c1; c1cc(cc(c1)OCC(=O)O)CNC(=O)Nc2nn
    c(o2)c3ccco3    		 2-(3-((3-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)ureido)methyl)phenoxy)acetic acid
    21223 FUV 1 C23 H28 Cl N3 O7 InChI=1S/C23H28ClN3O7/c24
    -12-5-6-15-13(11-12)21(25
    -14-3-1-2-4-16(14)33-15)2
    6-7-9-27(10-8-26)22-19(30
    )17(28)18(29)20(34-22)23(
    31)32/h1-2,5-6,11,14,16-2
    0,22,28-30H,3-4,7-10H2,(H
    ,31,32)/t14-,16-,17+,18+,
    19-,20+,22-/m1/s1;
    OXNRDDVCZKYHOL-IBISMJPWSA-N    		 c1cc2c(cc1Cl)C(=N[C@@H]3CC=CC[C@H]3O2)N4
    CCN(CC4)[C@H]5[C@@H]([C@H]([C@@H]([C@H](
    O5)C(=O)O)O)O)O; c1cc2c(cc1Cl)C(=NC3CC=C
    CC3O2)N4CCN(CC4)C5C(C(C(C(O5)C(=O)O)O)O)
    O; O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O
    )N2CCN(CC2)C3=N[CH]4CC=CC[CH]4Oc5ccc(Cl)
    cc35; O[C@@H]1[C@@H](O)[C@@H](O[C@@H]([C
    @H]1O)C(O)=O)N2CCN(CC2)C3=N[C@@H]4CC=CC[
    C@H]4Oc5ccc(Cl)cc35; C(C5C(C(C(C(N1CCN(C
    C1)C=4c2c(ccc(c2)Cl)OC3C(CC=CC3)N=4)O5)O
    )O)O)(=O)O    		 (5aR,9aR)-2-chloro-11-(4-beta-D-glucopyranuronosylpiperazin-1-yl)-5a,6,9,9a-tetrahydrodibenzo[b,f][1,4]oxazepine
    21224 FUW 1 C26 H34 O3 InChI=1S/C26H34O3/c1-5-21
    (13-14-22-17-24(27)18-25(
    28)19(22)2)23-12-9-11-20(
    16-23)10-7-6-8-15-26(3,4)
    29/h9,11-14,16,24-25,27-2
    9H,2,5,7,10,15,17-18H2,1,
    3-4H3/b21-13+,22-14-/t24-
    ,25-/m0/s1;
    OLHIEYMTIUZOBO-FNSLBOAPSA-N    		 CC/C(=C\C=C/1\C[C@H](C[C@@H](C1=C)O)O)/c
    2cccc(c2)CCC#CCC(C)(C)O; CC\C(=C/C=C1/C[
    C@@H](O)C[C@H](O)C1=C)c2cccc(CCC#CCC(C)(
    C)O)c2; CCC(=CC=C1C[CH](O)C[CH](O)C1=C)c
    2cccc(CCC#CCC(C)(C)O)c2; CCC(=CC=C1CC(CC
    (C1=C)O)O)c2cccc(c2)CCC#CCC(C)(C)O    		 (1~{R},3~{S},5~{Z})-4-methylidene-5-[(~{E})-3-[3-(6-methyl-6-oxidanyl-hept-3-ynyl)phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    21225 FUX
    CHEMBL185885
    DB12298
    ZINC000000900788    		 3 C6 H6 O3 InChI=1S/C6H6O3/c7-3-5-1-
    2-6(4-8)9-5/h1-3,8H,4H2;
    NOEGNKMFWQHSLB-UHFFFAOYSA-N    		 OCc1oc(C=O)cc1; c1cc(oc1CO)C=O; O=Cc1oc(
    cc1)CO    		 5-HYDROXYMETHYL-FURFURAL
    21226 FUY
    ZINC000058631708    		 2 C6 H12 N3 O4 InChI=1S/C6H12N3O4/c1-2-3
    (10)4(11)5(12)6(13-2)8-9-
    7/h2-7,10-12H,1H3/q+1/t2-
    ,3+,4+,5-,6-/m0/s1;
    UVVVIJNFFIMQDY-KGJVWPDLSA-N    		 C[C@@H]1O[C@H](N=[N+]=N)[C@@H](O)[C@H](O
    )[C@@H]1O; C[CH]1O[CH](N=[N+]=N)[CH](O)[
    CH](O)[CH]1O; [N@H]=[N+]=N/C1OC(C(O)C(O)
    C1O)C; CC1C(C(C(C(O1)N=[N+]=N)O)O)O; C[C
    @H]1[C@H]([C@H]([C@@H]([C@H](O1)N=[N+]=N
    )O)O)O    		 beta-L-fucosyl-azide;
    1-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl]triaza-1,2-dien-2-ium;
    IMINO-[(2S,3S,4R,5S,6S)-3,4,5-TRIHYDROXY-6-METHYL-OXAN-2-YL]IMINO-AZANIUM
    21227 FUZ
    CHEMBL1492146
    ZINC000000113222    		 5 C12 H11 N O3 InChI=1S/C12H11NO3/c14-12
    (15)10-5-1-2-6-11(10)13-8
    -9-4-3-7-16-9/h1-7,13H,8H
    2,(H,14,15);
    CKOPWCOBXHDAOZ-UHFFFAOYSA-N    		 OC(=O)c1ccccc1NCc2occc2; O=C(O)c2c(NCc1o
    ccc1)cccc2; c1ccc(c(c1)C(=O)O)NCc2ccco2    		 2-[(furan-2-ylmethyl)amino]benzoic acid
    21228 FV0
    ZINC000098208906    		 0 C14 H24 N2 O InChI=1S/C14H24N2O/c1-11(
    2)9-16-10-14(17)13(15)8-1
    2-6-4-3-5-7-12/h3-7,11,13
    -14,16-17H,8-10,15H2,1-2H
    3/t13-,14+/m0/s1;
    RHCZPSYTFNEZBK-UONOGXRCSA-N    		 CC(C)CNC[C@@H](O)[C@@H](N)Cc1ccccc1; OC(
    C(N)Cc1ccccc1)CNCC(C)C; CC(C)CNC[C@H]([C
    @H](Cc1ccccc1)N)O; CC(C)CNCC(C(Cc1ccccc1
    )N)O; CC(C)CNC[CH](O)[CH](N)Cc1ccccc1    		 (2R,3S)-3-amino-1-[(2-methylpropyl)amino]-4-phenylbutan-2-ol
    21229 FV1 1 C3 H8 O7 P V InChI=1S/C3H7O4P.2H2O.O.V
    /c1-2-3(7-2)8(4,5)6;;;;/h
    2-3H,1H3,(H2,4,5,6);2*1H2
    ;;/q;;;;+3/p-3/t2-,3+;;;;
    /m0..../s1;
    NKJNPQRWDUSUDP-VKZMHLLXSA-K    		 C[CH]1O[CH]1[P](O)(=O)O[V](O)(O)=O; O=[V
    ](OP(=O)(O)C1OC1C)(O)O; C[C@H]1[C@H](O1)
    [P@](=O)(O)O[V](=O)(O)O; C[C@@H]1O[C@@H]
    1[P](O)(=O)O[V](O)(O)=O; CC1C(O1)P(=O)(O
    )O[V](=O)(O)O    		 dihydroxy{[(2R,3S)-3-methyloxiran-2-yl]phosphonato-kappaO}oxovanadium
    21230 FV2 1 Mo8 O30 InChI=1S/8Mo.18H2O.12O/h;
    ;;;;;;;18*1H2;;;;;;;;;;;;
    /q2*+1;2*+2;4*+3;;;;;;;;;
    ;;;;;;;;;;;;;;;;;;;;;/p-1
    8;
    OYDJOMQLWBZCKT-UHFFFAOYSA-A    		 [O][Mo]12(O[Mo]3(O[Mo]456(O3[Mo]7(O1)(O2
    [Mo]8(O7[Mo]91(O4)(O8[Mo]2(O9[Mo](O15)(O
    2)(O6)([O])[O])([O])([O])[O])[O])([O])([
    O])[O])([O])[O])[O])([O])([O])[O])([O])[
    O]; O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.
    O1[Mo]O[Mo]23O[Mo]O[Mo]45O[Mo](O[Mo](O[M
    o]1O2)O3)O[Mo](O4)O5    		 Mo8 cluster
    21231 FV3 8 C18 H32 O3 InChI=1S/C18H32O3/c1-15(2
    )7-5-8-16(3)9-6-10-17(4)1
    1-12-21-14-18(20)13-19/h7
    ,9,11,18-20H,5-6,8,10,12-
    14H2,1-4H3/b16-9+,17-11+/
    t18-/m0/s1;
    VGIZXGYRSPTVQF-RNKQFFRGSA-N    		 CC(=CCC/C(=C/CC/C(=C/COC[C@H](CO)O)/C)/C
    )C; CC(C)=CCCC(C)=CCCC(C)=CCOC[CH](O)CO;
    CC(C)=CCCC(/C)=C/CCC(/C)=C/COC[C@@H](O)
    CO; CC(=CCCC(=CCCC(=CCOCC(CO)O)C)C)C    		 (2S)-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]propane-1,2-diol
    21232 FV4
    CHEMBL4218552    		 1 C20 H22 Cl F N4 InChI=1S/C20H22ClFN4/c1-1
    3-9-15(10-14(2)19(13)22)1
    2-26-18-11-16(21)3-4-17(1
    8)24-20(26)25-7-5-23-6-8-
    25/h3-4,9-11,23H,5-8,12H2
    ,1-2H3;
    HQRYJQRNCCMWFK-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C)Cn2c3cc(ccc3nc2N4CCNCC4)C
    l; n3c1ccc(cc1n(Cc2cc(c(c(C)c2)F)C)c3N4C
    CNCC4)Cl; Cc1cc(Cn2c3cc(Cl)ccc3nc2N4CCNC
    C4)cc(C)c1F    		 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    21233 FV5 3 C23 H40 N4 O10 S2 InChI=1S/C23H40N4O10S2/c1
    -14(2)10-17(20(29)25-18(2
    1(30)39(34,35)36)11-15-4-
    7-24-19(15)28)26-22(31)37
    -16-12-23(13-16)5-8-27(9-
    6-23)38(3,32)33/h14-18,21
    ,30H,4-13H2,1-3H3,(H,24,2
    8)(H,25,29)(H,26,31)(H,34
    ,35,36)/t15-,17-,18-,21+/
    m0/s1;
    DXHKTWBJEAVWSD-QUJKESNLSA-N    		 CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(=
    O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)
    [S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O
    )C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)
    S(=O)(=O)C; CC(C)C[C@H](NC(=O)OC1CC2(CCN
    (CC2)[S](C)(=O)=O)C1)C(=O)N[C@@H](C[C@@H
    ]3CCNC3=O)[C@H](O)[S](O)(=O)=O; CC(C)C[C
    @@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@H](
    O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=
    O)(=O)C; O=C1NCCC1CC(NC(=O)C(CC(C)C)NC(=
    O)OC1CC2(CCN(CC2)S(C)(=O)=O)C1)C(O)S(=O)
    (=O)O    		 (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    21234 FV7
    CHEMBL4214176    		 1 C26 H25 Cl2 F N4 InChI=1S/C26H25Cl2FN4/c1-
    16-11-18(12-17(2)24(16)29
    )15-33-23-14-19(27)13-21(
    20-5-3-4-6-22(20)28)25(23
    )31-26(33)32-9-7-30-8-10-
    32/h3-6,11-14,30H,7-10,15
    H2,1-2H3;
    YIYWIIQFTVKZTC-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)
    c5ccccc5Cl)Cl; n4c2c(c1ccccc1Cl)cc(cc2n(
    Cc3cc(C)c(F)c(c3)C)c4N5CCNCC5)Cl; Cc1cc(
    Cn2c3cc(Cl)cc(c4ccccc4Cl)c3nc2N5CCNCC5)c
    c(C)c1F    		 6-chloro-4-(2-chlorophenyl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    21235 FV8 3 C16 H18 N4 O5 InChI=1S/C16H18N4O5/c1-9-
    13(16(23)20(24)6-5-10-7-1
    7-8-18-10)19-15(25-9)11-3
    -2-4-12(21)14(11)22/h2-4,
    7-9,13,21-22,24H,5-6H2,1H
    3,(H,17,18)/t9-,13+/m1/s1;
    FCWIGDCVHNNXFS-RNCFNFMXSA-N    		 C[C@@H]1[C@H](N=C(O1)c2cccc(c2O)O)C(=O)N
    (CCc3c[nH]cn3)O; CC1C(N=C(O1)c2cccc(c2O)
    O)C(=O)N(CCc3c[nH]cn3)O; C[C@H]1OC(=N[C@
    @H]1C(=O)N(O)CCc2c[nH]cn2)c3cccc(O)c3O;
    C[CH]1OC(=N[CH]1C(=O)N(O)CCc2c[nH]cn2)c3
    cccc(O)c3O    		 (4~{S},5~{R})-2-[2,3-bis(oxidanyl)phenyl]-~{N}-[2-(1~{H}-imidazol-4-yl)ethyl]-5-methyl-~{N}-oxidanyl-4,5-dihydro-1,3-oxazole-4-carboxamide
    21236 FV9
    CHEMBL4472025    		 1 C20 H17 F N4 O7 P2 S InChI=1S/C20H17FN4O7P2S/c
    21-13-6-4-11(5-7-13)18(26
    )22-14-3-1-2-12(10-14)16-
    23-17(15-8-9-35-19(15)24-
    16)25-20(33(27,28)29)34(3
    0,31)32/h1-10,20H,(H,22,2
    6)(H,23,24,25)(H2,27,28,2
    9)(H2,30,31,32);
    LIRGVHIAOLGZJX-UHFFFAOYSA-N    		 O[P](O)(=O)C(Nc1nc(nc2sccc12)c3cccc(NC(=
    O)c4ccc(F)cc4)c3)[P](O)(O)=O; c1cc(cc(c1
    )NC(=O)c2ccc(cc2)F)c3nc(c4ccsc4n3)NC(P(=
    O)(O)O)P(=O)(O)O; OP(O)(=O)C(P(O)(O)=O)N
    c2c1c(scc1)nc(n2)c3cc(ccc3)NC(c4ccc(F)cc
    4)=O    		 {[(2-{3-[(4-fluorobenzene-1-carbonyl)amino]phenyl}thieno[2,3-d]pyrimidin-4-yl)amino]methylene}bis(phosphonic acid)
    21237 FVA
    ZINC000000398891    		 0 C6 H11 N O3 InChI=1S/C6H11NO3/c1-4(2)
    5(6(9)10)7-3-8/h3-5H,1-2H
    3,(H,7,8)(H,9,10)/t5-/m0/
    s1;
    QBYYLBWFBPAOKU-YFKPBYRVSA-N    		 CC(C)C(C(=O)O)NC=O; O=CNC(C(=O)O)C(C)C;
    CC(C)[CH](NC=O)C(O)=O; CC(C)[C@H](NC=O)C
    (O)=O; CC(C)[C@@H](C(=O)O)NC=O    		 N-formyl-L-valine
    21238 FVB 1 C26 H32 F6 O3 InChI=1S/C26H32F6O3/c1-3-
    19(11-12-20-15-22(33)16-2
    3(34)17(20)2)21-10-7-9-18
    (14-21)8-5-4-6-13-24(35,2
    5(27,28)29)26(30,31)32/h7
    ,9-12,14,22-23,33-35H,2-6
    ,8,13,15-16H2,1H3/b19-11+
    ,20-12-/t22-,23+/m1/s1;
    MARICLVKOFLLAP-JRJKOMHBSA-N    		 CCC(=CC=C1CC(CC(C1=C)O)O)c2cccc(c2)CCCCC
    C(C(F)(F)F)(C(F)(F)F)O; CC/C(=C\C=C/1\C[
    C@H](C[C@@H](C1=C)O)O)/c2cccc(c2)CCCCCC(
    C(F)(F)F)(C(F)(F)F)O; CCC(=C\C=C1\C[C@@H
    ](O)C[C@H](O)C1=C)/c2cccc(CCCCCC(O)(C(F)
    (F)F)C(F)(F)F)c2; CCC(=CC=C1C[CH](O)C[CH
    ](O)C1=C)c2cccc(CCCCCC(O)(C(F)(F)F)C(F)(
    F)F)c2    		 (1R,3S,5Z)-4-methylidene-5-[(E)-3-[3-[7,7,7-tris(fluoranyl)-6-oxidanyl-6-(trifluoromethyl)heptyl]phenyl]pent-2-enylidene]cyclohexane-1,3-diol
    21239 FVC 2 C22 H21 B N4 O3 InChI=1S/C22H21BN4O3/c1-1
    3-6-14(4-5-20(13)23(29)30
    )19-12-26-21-18(19)8-16(1
    1-25-21)15-7-17(10-24-9-1
    5)22(28)27(2)3/h4-12,29-3
    0H,1-3H3,(H,25,26);
    MRFQEQSCJZCQMR-UHFFFAOYSA-N    		 B(c1ccc(cc1C)c2c[nH]c3c2cc(cn3)c4cc(cnc4
    )C(=O)N(C)C)(O)O; CN(C)C(=O)c1cncc(c1)c2
    cnc3[nH]cc(c4ccc(B(O)O)c(C)c4)c3c2    		 [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-methyl-phenyl]boronic acid
    21240 FVD
    CHEMBL4205543    		 1 C25 H29 Cl F N5 InChI=1S/C25H29ClFN5/c1-1
    6-11-18(12-17(2)23(16)27)
    15-32-22-14-20(26)13-21(1
    9-3-5-28-6-4-19)24(22)30-
    25(32)31-9-7-29-8-10-31/h
    3,11-14,28-29H,4-10,15H2,
    1-2H3;
    AICGXPKTEXWHDK-UHFFFAOYSA-N    		 Cc1cc(Cn2c3cc(Cl)cc(C4=CCNCC4)c3nc2N5CCN
    CC5)cc(C)c1F; n3(c2cc(cc(C=1CCNCC=1)c2nc
    3N4CCNCC4)Cl)Cc5cc(C)c(c(c5)C)F; Cc1cc(c
    c(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)C5=CCNC
    C5)Cl    		 6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)-1H-benzimidazole
    21241 FVE 3 C23 H40 N4 O10 S2 InChI=1S/C23H40N4O10S2/c1
    -14(2)10-17(20(29)25-18(2
    1(30)39(34,35)36)11-15-4-
    7-24-19(15)28)26-22(31)37
    -16-12-23(13-16)5-8-27(9-
    6-23)38(3,32)33/h14-18,21
    ,30H,4-13H2,1-3H3,(H,24,2
    8)(H,25,29)(H,26,31)(H,34
    ,35,36)/t15-,17-,18-,21-/
    m0/s1;
    DXHKTWBJEAVWSD-DBSRCYSRSA-N    		 CC(C)C[CH](NC(=O)OC1CC2(CCN(CC2)[S](C)(=
    O)=O)C1)C(=O)N[CH](C[CH]3CCNC3=O)[CH](O)
    [S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1CCNC1=O
    )C(O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)
    S(=O)(=O)C; CC(C)C[C@H](NC(=O)OC1CC2(CCN
    (CC2)[S](C)(=O)=O)C1)C(=O)N[C@@H](C[C@@H
    ]3CCNC3=O)[C@@H](O)[S](O)(=O)=O; O=C1NCC
    C1CC(NC(=O)C(CC(C)C)NC(=O)OC1CC2(CCN(CC2
    )S(C)(=O)=O)C1)C(O)S(=O)(=O)O; CC(C)C[C@
    @H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)[C@@H](
    O)S(=O)(=O)O)NC(=O)OC2CC3(C2)CCN(CC3)S(=
    O)(=O)C    		 (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid
    21242 FVF 1 C30 H35 N2 O8 P InChI=1S/C30H35N2O8P/c1-2
    1(2)28(41(37,38)40-26(29(
    34)35)19-23-14-8-4-9-15-2
    3)32-27(33)25(18-22-12-6-
    3-7-13-22)31-30(36)39-20-
    24-16-10-5-11-17-24/h3-17
    ,21,25-26,28H,18-20H2,1-2
    H3,(H,31,36)(H,32,33)(H,3
    4,35)(H,37,38)/t25-,26-,2
    8+/m0/s1;
    NXIYKBRAJXXOLO-UNCTUWKVSA-N    		 CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)O
    Cc2ccccc2)[P@@](=O)(O)O[C@@H](Cc3ccccc3)
    C(=O)O; CC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)O
    Cc2ccccc2)P(=O)(O)OC(Cc3ccccc3)C(=O)O; C
    C(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC
    c2ccccc2)[P@](O)(=O)O[C@@H](Cc3ccccc3)C(
    O)=O; CC(C)[CH](NC(=O)[CH](Cc1ccccc1)NC(
    =O)OCc2ccccc2)[P](O)(=O)O[CH](Cc3ccccc3)
    C(O)=O; O=C(O)C(OP(=O)(O)C(NC(=O)C(NC(=O
    )OCc1ccccc1)Cc2ccccc2)C(C)C)Cc3ccccc3    		 O-((((N-PHENYL-METHOXY-CARBONYL)-PHENYL ALANYL-CARBONYL)AMINO)-ISOBUTYL)HYDROXY PHOSPHINYL)-3-PHENYLACETIC ACID
    21243 FVG
    CHEMBL4215257    		 1 C25 H32 Cl F N6 InChI=1S/C25H32ClFN6/c1-1
    6-10-18(11-17(2)23(16)27)
    15-33-22-13-19(26)12-21(3
    2-7-3-4-20(32)14-28)24(22
    )30-25(33)31-8-5-29-6-9-3
    1/h10-13,20,29H,3-9,14-15
    ,28H2,1-2H3/t20-/m0/s1;
    CAPZSPOPEHSYOZ-FQEVSTJZSA-N    		 Cc1cc(Cn2c3cc(Cl)cc(N4CCC[C@H]4CN)c3nc2N
    5CCNCC5)cc(C)c1F; Cc1cc(Cn2c3cc(Cl)cc(N4
    CCC[CH]4CN)c3nc2N5CCNCC5)cc(C)c1F; n4c2c
    (N1C(CCC1)CN)cc(cc2n(Cc3cc(c(c(C)c3)F)C)
    c4N5CCNCC5)Cl; Cc1cc(cc(c1F)C)Cn2c3cc(cc
    (c3nc2N4CCNCC4)N5CCCC5CN)Cl; Cc1cc(cc(c1
    F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)N5CCC[C@H]5
    CN)Cl    		 1-[(2S)-1-{6-chloro-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazol-4-yl}pyrrolidin-2-yl]methanamine
    21244 FVH 5 C21 H34 N7 O17 P3 InChI=1S/C21H34N7O17P3/c2
    2-17-12-19(25-7-24-17)28(
    8-26-12)21-16(44-46(33,34
    )35)14(30)11(43-21)6-41-4
    8(38,39)45-47(36,37)40-5-
    10-13(29)15(31)20(42-10)2
    7-3-1-2-9(4-27)18(23)32/h
    7-11,13-16,20-21,29-31H,1
    -6H2,(H2,23,32)(H,36,37)(
    H,38,39)(H2,22,24,25)(H2,
    33,34,35)/t9-,10-,11-,13-
    ,14-,15-,16-,20-,21-/m1/s
    1;
    ABXQRXCWDXMXKA-MTKBYBFRSA-N    		 NC(=O)[CH]1CCCN(C1)[CH]2O[CH](CO[P](O)(=
    O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O
    )=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2
    O; c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(
    O)OP(=O)(O)OCC4C(C(C(O4)N5CCCC(C5)C(=O)N
    )O)O)O)OP(=O)(O)O)N; NC(=O)[C@@H]1CCCN(C
    1)[C@@H]2O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]3O[C@H]([C@H](O[P](O)(O)=O)[C@@H]3
    O)n4cnc5c(N)ncnc45)[C@@H](O)[C@H]2O; c1n
    c(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H]
    (O3)COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C
    @H]([C@@H](O4)N5CCC[C@H](C5)C(=O)N)O)O)O
    )OP(=O)(O)O)N    		 [[(2~{R},3~{S},4~{R},5~{R})-5-[(3~{R})-3-aminocarbonylpiperidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methyl hydrogen phosphate
    21245 FVJ
    CHEMBL4217599    		 1 C25 H28 Cl F N6 InChI=1S/C25H28ClFN6/c1-1
    4-9-18(10-15(2)23(14)27)1
    3-33-21-12-19(26)11-20(22
    -16(3)30-31-17(22)4)24(21
    )29-25(33)32-7-5-28-6-8-3
    2/h9-12,28H,5-8,13H2,1-4H
    3,(H,30,31);
    SVULJAPKAMXBBJ-UHFFFAOYSA-N    		 Cc1cc(cc(c1F)C)Cn2c3cc(cc(c3nc2N4CCNCC4)
    c5c([nH]nc5C)C)Cl; Cc1[nH]nc(C)c1c2cc(Cl
    )cc3n(Cc4cc(C)c(F)c(C)c4)c(nc23)N5CCNCC5
    ; n4c2c(c1c(nnc1C)C)cc(cc2n(Cc3cc(c(c(C)
    c3)F)C)c4N5CCNCC5)Cl    		 6-chloro-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    21246 FVK
    ZINC000001532365    		 2 C16 H25 N3 O5 InChI=1S/C16H25N3O5/c20-1
    3-1-3-15(4-2-13)24-12-14(
    21)11-17-5-6-18-16(22)19-
    7-9-23-10-8-19/h1-4,14,17
    ,20-21H,5-12H2,(H,18,22)/
    t14-/m0/s1;
    DXPOSRCHIDYWHW-AWEZNQCLSA-N    		 O[C@@H](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2
    ; c1cc(ccc1O)OC[C@H](CNCCNC(=O)N2CCOCC2)
    O; c1cc(ccc1O)OCC(CNCCNC(=O)N2CCOCC2)O;
    O[CH](CNCCNC(=O)N1CCOCC1)COc2ccc(O)cc2    		 ~{N}-[2-[[(2~{S})-2-oxidanyl-3-(4-oxidanylphenoxy)propyl]amino]ethyl]morpholine-4-carboxamide
    21247 FVM
    CHEMBL4214703    		 1 C26 H28 Cl F N6 InChI=1S/C26H28ClFN6/c1-1
    4-5-18(6-15(2)23(14)28)9-
    34-21-8-19(27)7-20(22-16(
    3)31-32-17(22)4)24(21)30-
    25(34)33-12-26(13-33)10-2
    9-11-26/h5-8,29H,9-13H2,1
    -4H3,(H,31,32);
    WYYRAJGTUGUYGY-UHFFFAOYSA-N    		 Cc1[nH]nc(C)c1c2cc(Cl)cc3n(Cc4cc(C)c(F)c
    (C)c4)c(nc23)N5CC6(CNC6)C5; n4c2c(c1c(C)
    nnc1C)cc(cc2n(Cc3cc(C)c(c(C)c3)F)c4N6CC5
    (CNC5)C6)Cl; Cc1cc(cc(c1F)C)Cn2c3cc(cc(c
    3nc2N4CC5(C4)CNC5)c6c([nH]nc6C)C)Cl    		 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-4-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-1H-benzimidazole
    21248 FVN
    CHEMBL1433762
    ZINC000000000856    		 0 C19 H24 N2 O4 InChI=1S/C19H24N2O4/c1-13
    (9-14-3-6-16(25-2)7-4-14)
    20-11-19(24)15-5-8-18(23)
    17(10-15)21-12-22/h3-8,10
    ,12-13,19-20,23-24H,9,11H
    2,1-2H3,(H,21,22)/t13-,19
    +/m0/s1;
    BPZSYCZIITTYBL-ORAYPTAESA-N    		 CC(Cc1ccc(cc1)OC)NCC(c2ccc(c(c2)NC=O)O)O
    ; COc1ccc(C[C@H](C)NC[C@@H](O)c2ccc(O)c(
    NC=O)c2)cc1; C[C@@H](Cc1ccc(cc1)OC)NC[C@
    H](c2ccc(c(c2)NC=O)O)O; COc1ccc(C[CH](C)
    NC[CH](O)c2ccc(O)c(NC=O)c2)cc1    		 ~{N}-[5-[(1~{S})-2-[[(2~{S})-1-(4-methoxyphenyl)propan-2-yl]amino]-1-oxidanyl-ethyl]-2-oxidanyl-phenyl]methanamide
    21249 FVP 6 C42 H64 N6 O20 InChI=1S/C42H64N6O20/c1-1
    8-10-21(11-19(2)29(18)53)
    38(60)44-13-24(51)30(54)3
    7-28(45-27(52)15-48-14-22
    (46-47-48)20-6-4-3-5-7-20
    )23(50)12-42(68-37,41(61)
    62)64-17-26-31(55)32(56)3
    4(58)40(66-26)67-36-25(16
    -49)65-39(63-9-8-43)35(59
    )33(36)57/h10-11,14,20,23
    -26,28,30-37,39-40,49-51,
    53-59H,3-9,12-13,15-17,43
    H2,1-2H3,(H,44,60)(H,45,5
    2)(H,61,62)/t23-,24+,25+,
    26+,28+,30+,31-,32-,33+,3
    4+,35+,36+,37+,39+,40-,42
    +/m0/s1;
    DQZXNLDRAKHEEK-XCGJJDHASA-N    		 Cc1cc(cc(c1O)C)C(=O)NCC(C(C2C(C(CC(O2)(C
    (=O)O)OCC3C(C(C(C(O3)OC4C(OC(C(C4O)O)OCC
    N)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCCC6)O)
    O; Cc1cc(cc(C)c1O)C(=O)NC[CH](O)[CH](O)[
    CH]2O[C](C[CH](O)[CH]2NC(=O)Cn3cc(nn3)C4
    CCCCC4)(OC[CH]5O[CH](O[CH]6[CH](O)[CH](O
    )[CH](OCCN)O[CH]6CO)[CH](O)[CH](O)[CH]5O
    )C(O)=O; C6CCCC(c5cn(CC(NC2C(C(C(O)CNC(c
    1cc(c(c(c1)C)O)C)=O)O)OC(CC2O)(C(O)=O)OC
    C3C(C(C(C(O3)OC4C(O)C(C(OC4CO)OCCN)O)O)O
    )O)=O)nn5)C6; Cc1cc(cc(c1O)C)C(=O)NC[C@H
    ]([C@H]([C@H]2[C@@H]([C@H](C[C@@](O2)(C(
    =O)O)OC[C@@H]3[C@@H]([C@@H]([C@H]([C@@H]
    (O3)O[C@@H]4[C@H](O[C@H]([C@@H]([C@H]4O)
    O)OCCN)CO)O)O)O)O)NC(=O)Cn5cc(nn5)C6CCCC
    C6)O)O; Cc1cc(cc(C)c1O)C(=O)NC[C@@H](O)[
    C@@H](O)[C@@H]2O[C@@](C[C@H](O)[C@H]2NC(
    =O)Cn3cc(nn3)C4CCCCC4)(OC[C@H]5O[C@@H](O
    [C@H]6[C@H](O)[C@@H](O)[C@H](OCCN)O[C@@H
    ]6CO)[C@H](O)[C@@H](O)[C@H]5O)C(O)=O    		 2-aminoethyl 5-{[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)acetyl]amino}-3,5,9-trideoxy-9-[(4-hydroxy-3,5-dimethylbenzene-1-carbonyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside
    21250 FVQ
    ZINC000098208907    		 3 C14 H17 N O6 InChI=1S/C14H17NO6/c16-8-
    10-11(17)12(18)13(19)14(2
    1-10)20-6-2-4-9-3-1-5-15-
    7-9/h1,3,5,7,10-14,16-19H
    ,6,8H2/t10-,11-,12+,13+,1
    4+/m1/s1;
    GMPRLXFHQUHVDW-DGTMBMJNSA-N    		 OC[C@H]1O[C@H](OCC#Cc2cccnc2)[C@@H](O)[C
    @@H](O)[C@@H]1O; c1cc(cnc1)C#CCOC2C(C(C(
    C(O2)CO)O)O)O; C(#Cc1cccnc1)COC2OC(C(O)C
    (O)C2O)CO; OC[CH]1O[CH](OCC#Cc2cccnc2)[C
    H](O)[CH](O)[CH]1O; c1cc(cnc1)C#CCO[C@@H
    ]2[C@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O    		 3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannopyranoside;
    3-pyridin-3-ylprop-2-yn-1-yl alpha-D-mannopyranoside;
    D-MANNOSE ALPHA1O-PROPYNYL PYRIDINE;
    3-(pyridin-3-yl)prop-2-yn-1-yl alpha-D-mannoside;
    3-(pyridin-3-yl)prop-2-yn-1-yl D-mannoside;
    3-(pyridin-3-yl)prop-2-yn-1-yl mannoside
    21251 FVR
    CHEMBL4449143    		 3 C26 H29 N5 O2 InChI=1S/C26H29N5O2/c1-30
    -15-20(19-8-10-22(11-9-19
    )33-17-18-6-4-3-5-7-18)14
    -21(16-30)28-26-29-23-12-
    13-27-24(23)25(32)31(26)2
    /h3-13,20-21,27H,14-17H2,
    1-2H3,(H,28,29)/t20-,21+/
    m0/s1;
    GUFVCUSKHSXTFY-LEWJYISDSA-N    		 CN1C[C@@H](C[C@@H](C1)c2ccc(OCc3ccccc3)c
    c2)NC4=Nc5cc[nH]c5C(=O)N4C; CN1C[CH](C[C
    H](C1)c2ccc(OCc3ccccc3)cc2)NC4=Nc5cc[nH]
    c5C(=O)N4C; CN1C[C@H](C[C@H](C1)NC2=Nc3c
    c[nH]c3C(=O)N2C)c4ccc(cc4)OCc5ccccc5; CN
    1CC(CC(C1)NC2=Nc3cc[nH]c3C(=O)N2C)c4ccc(
    cc4)OCc5ccccc5    		 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one
    21252 FVS
    ZINC000003926298    		 1 C32 H47 F5 O3 S InChI=1S/C32H47F5O3S/c1-3
    0-17-15-26-25-12-11-24(38
    )21-23(25)20-22(29(26)27(
    30)13-14-28(30)39)10-7-5-
    3-2-4-6-8-18-41(40)19-9-1
    6-31(33,34)32(35,36)37/h1
    1-12,21-22,26-29,38-39H,2
    -10,13-20H2,1H3/t22-,26-,
    27+,28+,29-,30+,41-/m1/s1;
    VWUXBMIQPBEWFH-CIAKRVSBSA-N    		 C[C]12CC[CH]3[CH]([CH](CCCCCCCCC[S](=O)C
    CCC(F)(F)C(F)(F)F)Cc4cc(O)ccc34)[CH]1CC[
    CH]2O; C[C@]12CC[C@H]3[C@@H]([C@H](CCCCC
    CCCC[S@@](=O)CCCC(F)(F)C(F)(F)F)Cc4cc(O)
    ccc34)[C@@H]1CC[C@@H]2O; C[C@]12CC[C@@H]
    3c4ccc(cc4C[C@H]([C@H]3[C@@H]1CC[C@@H]2O
    )CCCCCCCCC[S@@](=O)CCCC(C(F)(F)F)(F)F)O;
    FC(F)(F)C(F)(F)CCCS(=O)CCCCCCCCCC2Cc1c(
    ccc(O)c1)C3C2C4C(C)(CC3)C(O)CC4; CC12CCC
    3c4ccc(cc4CC(C3C1CCC2O)CCCCCCCCCS(=O)CCC
    C(C(F)(F)F)(F)F)O    		 (7beta,9beta,13alpha,17beta)-7-{9-[(R)-(4,4,5,5,5-pentafluoropentyl)sulfinyl]nonyl}estra-1(10),2,4-triene-3,17-diol;
    Fulvestrant
    21253 FVT
    CHEMBL601
    DB00855
    ZINC000003782550    		 1 C5 H9 N O3 InChI=1S/C5H9NO3/c6-3-4(7
    )1-2-5(8)9/h1-3,6H2,(H,8,
    9);
    ZGXJTSGNIOSYLO-UHFFFAOYSA-N    		 C(CC(=O)O)C(=O)CN; NCC(=O)CCC(O)=O 5-azanyl-4-oxidanylidene-pentanoic acid
    21254 FVV
    CHEMBL1624889
    ZINC000004334103    		 1 C17 H16 F N3 InChI=1S/C17H16FN3/c18-14
    -8-6-13(7-9-14)12-21-16-5
    -2-1-4-15(16)20-11-3-10-1
    9-17(20)21/h1-2,4-9H,3,10
    -12H2;
    LXOFDRFYSDHQTI-UHFFFAOYSA-N    		 Fc1ccc(CN2c3ccccc3N4CCCN=C24)cc1; c4(ccc
    (CN3C=1N(CCCN=1)c2c3cccc2)cc4)F; c1ccc2c
    (c1)N3CCCN=C3N2Cc4ccc(cc4)F    		 10-[(4-fluorophenyl)methyl]-2,3,4,10-tetrahydropyrimido[1,2-a]benzimidazole
    21255 FVW
    CHEMBL4284995    		 1 C18 H23 F N4 O8 InChI=1S/C18H23FN4O8/c1-2
    3(10-5-7-13(19)20-9-10)14
    (24)4-2-3-11(16(27)28)21-
    18(31)22-12(17(29)30)6-8-
    15(25)26/h5,7,9,11-12H,2-
    4,6,8H2,1H3,(H,25,26)(H,2
    7,28)(H,29,30)(H2,21,22,3
    1)/t11-,12-/m0/s1;
    UUDMXDXHNXMSOT-RYUDHWBXSA-N    		 CN(C(=O)CCC[C@H](NC(=O)N[C@@H](CCC(O)=O)
    C(O)=O)C(O)=O)c1ccc(F)nc1; CN(c1ccc(nc1)
    F)C(=O)CCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=
    O)O; CN(C(=O)CCC[CH](NC(=O)N[CH](CCC(O)=
    O)C(O)=O)C(O)=O)c1ccc(F)nc1; CN(c1ccc(nc
    1)F)C(=O)CCC[C@@H](C(=O)O)NC(=O)N[C@@H](
    CCC(=O)O)C(=O)O    		 (2~{S})-2-[[(2~{S})-6-[(6-fluoranylpyridin-3-yl)-methyl-amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
    21256 FVX
    CHEMBL814
    DB00176
    ZINC000003872605    		 3 C15 H21 F3 N2 O2 InChI=1S/C15H21F3N2O2/c1-
    21-10-3-2-4-14(20-22-11-9
    -19)12-5-7-13(8-6-12)15(1
    6,17)18/h5-8H,2-4,9-11,19
    H2,1H3/b20-14+;
    CJOFXWAVKWHTFT-XSFVSMFZSA-N    		 COCCCC/C(=N\OCCN)/c1ccc(cc1)C(F)(F)F; CO
    CCCCC(=NOCCN)c1ccc(cc1)C(F)(F)F; COCCCC\
    C(=N/OCCN)c1ccc(cc1)C(F)(F)F; FC(F)(F)c1
    ccc(\C(=N\OCCN)CCCCOC)cc1    		 Fluvoxamine;
    2-[({(1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene}amino)oxy]ethanamine
    21257 FVY
    CHEMBL4203733    		 1 C16 H15 Cl F N3 InChI=1S/C16H15ClFN3/c1-9
    -5-14-15(6-10(9)2)21(16(1
    9)20-14)8-11-3-4-13(18)12
    (17)7-11/h3-7H,8H2,1-2H3,
    (H2,19,20);
    XXDDSHXUGVBBOJ-UHFFFAOYSA-N    		 Cc1cc2c(cc1C)n(c(n2)N)Cc3ccc(c(c3)Cl)F;
    Cc1cc2nc(N)n(Cc3ccc(F)c(Cl)c3)c2cc1C; c1
    c(c(cc2nc(n(c12)Cc3ccc(c(c3)Cl)F)N)C)C    		 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-1H-benzimidazol-2-amine
    21258 FVZ
    CHEMBL4291782    		 1 C18 H22 F N3 O8 InChI=1S/C18H22FN3O8/c19-
    10-4-6-11(7-5-10)20-14(23
    )3-1-2-12(16(26)27)21-18(
    30)22-13(17(28)29)8-9-15(
    24)25/h4-7,12-13H,1-3,8-9
    H2,(H,20,23)(H,24,25)(H,2
    6,27)(H,28,29)(H2,21,22,3
    0)/t12-,13-/m0/s1;
    CKNIHKIYCHYOOG-STQMWFEESA-N    		 OC(=O)CC[C@H](NC(=O)N[C@@H](CCCC(=O)Nc1c
    cc(F)cc1)C(O)=O)C(O)=O; c1cc(ccc1NC(=O)C
    CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)F; c
    1cc(ccc1NC(=O)CCC[C@@H](C(=O)O)NC(=O)N[C
    @@H](CCC(=O)O)C(=O)O)F; OC(=O)CC[CH](NC(
    =O)N[CH](CCCC(=O)Nc1ccc(F)cc1)C(O)=O)C(O
    )=O    		 (2~{S})-2-[[(2~{S})-6-[(4-fluorophenyl)amino]-1-oxidanyl-1,6-bis(oxidanylidene)hexan-2-yl]carbamoylamino]pentanedioic acid
    21259 FW1 1 C23 H36 O6 InChI=1S/C23H36O6/c1-12(1
    0-29-14(3)24)17-8-19(25)2
    3(4)9-18-15(11-28-5)6-7-1
    6(18)13(2)21(26)22(27)20(
    17)23/h9,12-13,15-16,19,2
    1-22,25-27H,6-8,10-11H2,1
    -5H3/b18-9-/t12-,13-,15-,
    16+,19+,21-,22-,23+/m1/s1;
    JWXDGEQLSBXQMO-FXMNBVRKSA-N    		 CC1C2CCC(C2=CC3(C(CC(=C3C(C1O)O)C(C)COC(
    =O)C)O)C)COC; COC[CH]1CC[CH]2[CH](C)[CH]
    (O)[CH](O)C3=C(C[CH](O)[C]3(C)C=C12)[CH]
    (C)COC(C)=O; O=C(OCC(C2=C1C(O)C(O)C(C3C(
    =CC1(C)C(O)C2)C(CC3)COC)C)C)C; C[C@@H]1[
    C@@H]\2CC[C@@H](/C2=C/[C@]3([C@H](CC(=C3
    [C@H]([C@@H]1O)O)[C@H](C)COC(=O)C)O)C)CO
    C; COC[C@H]1CC[C@H]\2[C@@H](C)[C@@H](O)[
    C@H](O)C3=C(C[C@H](O)[C@]3(C)\C=C1\2)[C@
    H](C)COC(C)=O    		 Fusicoccin A aglycone;
    (2S)-2-[(1S,4R,5R,6R,6aS,9S,9aE,10aR)-1,4,5-trihydroxy-9-(methoxymethyl)-6,10a-dimethyl-1,2,4,5,6,6a,7,8,9,10a-decahydr odicyclopenta[a,d][8]annulen-3-yl]propyl acetate
    21260 FW2
    ZINC000001532571    		 2 C6 H10 O6 InChI=1S/C6H10O6/c7-2-5(1
    0)3(8)1-4(9)6(11)12/h3,5,
    7-8,10H,1-2H2,(H,11,12)/t
    3-,5+/m1/s1;
    WPAMZTWLKIDIOP-WUJLRWPWSA-N    		 OC[CH](O)[CH](O)CC(=O)C(O)=O; C([C@H]([C
    @H](CO)O)O)C(=O)C(=O)O; C(C(C(CO)O)O)C(=
    O)C(=O)O; OC[C@H](O)[C@H](O)CC(=O)C(O)=O    		 L-2-keto-3deoxy-gluconate
    21261 FW3 2 C27 H28 Cl N3 O2 S2 InChI=1S/C27H28ClN3O2S2/c
    28-25-16-21(6-8-24(25)22-
    4-2-1-3-5-22)18-29-13-10-
    20-11-14-31(15-12-20)35(3
    2,33)23-7-9-26-27(17-23)3
    4-19-30-26/h1-9,16-17,19-
    20,29H,10-15,18H2;
    VHVPHPDCJZMZGQ-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccc(cc2Cl)CNCCC3CCN(CC3)S(=O
    )(=O)c4ccc5c(c4)scn5; Clc1cc(CNCCC2CCN(C
    C2)[S](=O)(=O)c3ccc4ncsc4c3)ccc1c5ccccc5    		 2-[1-(1,3-benzothiazol-6-ylsulfonyl)piperidin-4-yl]-~{N}-[(3-chloranyl-4-phenyl-phenyl)methyl]ethanamine
    21262 FW4
    CHEMBL4210860    		 1 C20 H22 Cl F N4 InChI=1S/C20H22ClFN4/c1-1
    3-9-18-19(10-14(13)2)26(1
    2-15-3-4-17(22)16(21)11-1
    5)20(24-18)25-7-5-23-6-8-
    25/h3-4,9-11,23H,5-8,12H2
    ,1-2H3;
    BQDQIRCHYJZDPW-UHFFFAOYSA-N    		 Cc1cc2nc(N3CCNCC3)n(Cc4ccc(F)c(Cl)c4)c2c
    c1C; Cc2cc3n(Cc1cc(Cl)c(cc1)F)c(nc3cc2C)
    N4CCNCC4; Cc1cc2c(cc1C)n(c(n2)N3CCNCC3)C
    c4ccc(c(c4)Cl)F    		 1-[(3-chloro-4-fluorophenyl)methyl]-5,6-dimethyl-2-(piperazin-1-yl)-1H-benzimidazole
    21263 FW5
    ZINC000001866958    		 1 C4 H10 O3 InChI=1S/C4H10O3/c1-7-3-4
    (6)2-5/h4-6H,2-3H2,1H3/t4
    -/m0/s1;
    PSJBSUHYCGQTHZ-BYPYZUCNSA-N    		 COCC(CO)O; COC[C@H](CO)O; COC[CH](O)CO;
    COC[C@@H](O)CO    		 (2~{S})-3-methoxypropane-1,2-diol
    21264 FW6 2 C8 H11 O4 P InChI=1S/C8H11O4P/c1-2-7-
    4-3-5-8(6-7)12-13(9,10)11
    /h3-6H,2H2,1H3,(H2,9,10,1
    1);
    IEFUTYQGHXXRLJ-UHFFFAOYSA-N    		 CCc1cccc(O[P](O)(O)=O)c1; CCc1cccc(c1)OP
    (=O)(O)O    		 (3-ethylphenyl) dihydrogen phosphate
    21265 FW7
    CHEMBL4217465    		 1 C18 H17 Cl2 F N4 InChI=1S/C18H17Cl2FN4/c19
    -13-2-4-16-17(10-13)25(11
    -12-1-3-15(21)14(20)9-12)
    18(23-16)24-7-5-22-6-8-24
    /h1-4,9-10,22H,5-8,11H2;
    JKACBCFXETVIIK-UHFFFAOYSA-N    		 c1cc(c(cc1Cn2c3cc(ccc3nc2N4CCNCC4)Cl)Cl)
    F; Fc1ccc(Cn2c3cc(Cl)ccc3nc2N4CCNCC4)cc1
    Cl; c1c(cc(Cl)c(c1)F)Cn3c(nc2ccc(Cl)cc23
    )N4CCNCC4    		 6-chloro-1-[(3-chloro-4-fluorophenyl)methyl]-2-(piperazin-1-yl)-1H-benzimidazole
    21266 FW8
    CHEMBL4443468    		 2 C35 H35 N9 O2 InChI=1S/C35H35N9O2/c45-3
    4-25-10-7-13-28(32(25)30-
    14-5-6-18-44(30)34)39-35(
    46)40-31-20-22(15-16-36-3
    1)29-21-43(42-41-29)19-17
    -37-33-23-8-1-3-11-26(23)
    38-27-12-4-2-9-24(27)33/h
    1,3,7-8,10-11,13,15-16,20
    -21,30H,2,4-6,9,12,14,17-
    19H2,(H,37,38)(H2,36,39,4
    0,46)/t30-/m0/s1;
    BNBWNJAILLASJW-PMERELPUSA-N    		 O=C(Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5cccc
    c35)nn2)Nc6cccc7C(=O)N8CCCC[CH]8c67; O=C
    (Nc1cc(ccn1)c2cn(CCNc3c4CCCCc4nc5ccccc35
    )nn2)Nc6cccc7C(=O)N8CCCC[C@H]8c67; c1ccc
    2c(c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(
    c5)NC(=O)Nc6cccc7c6C8CCCCN8C7=O; c1ccc2c
    (c1)c(c3c(n2)CCCC3)NCCn4cc(nn4)c5ccnc(c5
    )NC(=O)Nc6cccc7c6[C@@H]8CCCCN8C7=O    		 1-[(10~{b}~{S})-6-oxidanylidene-2,3,4,10~{b}-tetrahydro-1~{H}-pyrido[2,1-a]isoindol-10-yl]-3-[4-[1-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pyridin-2-yl]urea
    21267 FW9
    CHEMBL4303671
    ZINC000044063027    		 2 C19 H18 N4 O3 InChI=1S/C19H18N4O3/c1-24
    -14-4-2-3-13(8-14)15-9-18
    (23-19(20)22-15)21-10-12-
    5-6-16-17(7-12)26-11-25-1
    6/h2-9H,10-11H2,1H3,(H3,2
    0,21,22,23);
    FABQUVYDAXWUQP-UHFFFAOYSA-N    		 COc1cccc(c1)c2cc(nc(n2)N)NCc3ccc4c(c3)OC
    O4; COc1cccc(c1)c2cc(NCc3ccc4OCOc4c3)nc(
    N)n2    		 N4-(1,3-benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)pyrimidine-2,4-diamine
    21268 FWA
    CHEMBL4213025    		 1 C26 H32 Cl F N6 InChI=1S/C26H32ClFN6/c1-1
    7-8-19(9-18(2)23(17)28)12
    -34-22-11-20(27)10-21(32-
    6-4-31(3)5-7-32)24(22)30-
    25(34)33-15-26(16-33)13-2
    9-14-26/h8-11,29H,4-7,12-
    16H2,1-3H3;
    JWZAQUXBYYOGFA-UHFFFAOYSA-N    		 N1(CCN(CC1)C)c2cc(Cl)cc6c2nc(N3CC4(C3)CN
    C4)n6Cc5cc(C)c(c(C)c5)F; Cc1cc(cc(c1F)C)
    Cn2c3cc(cc(c3nc2N4CC5(C4)CNC5)N6CCN(CC6)
    C)Cl; CN1CCN(CC1)c2cc(Cl)cc3n(Cc4cc(C)c(
    F)c(C)c4)c(nc23)N5CC6(CNC6)C5    		 6-chloro-2-(2,6-diazaspiro[3.3]heptan-2-yl)-1-[(4-fluoro-3,5-dimethylphenyl)methyl]-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
    21269 FWB 1 C10 H12 F3 N O InChI=1S/C10H12F3NO/c1-6(
    14)2-7-3-8(10(11,12)13)5-
    9(15)4-7/h3-6,15H,2,14H2,
    1H3/t6-/m0/s1;
    STNBHVRWYKPOSM-LURJTMIESA-N    		 C[C@@H](Cc1cc(cc(c1)O)C(F)(F)F)N; C[C@H]
    (N)Cc1cc(O)cc(c1)C(F)(F)F; CC(Cc1cc(cc(c
    1)O)C(F)(F)F)N; C[CH](N)Cc1cc(O)cc(c1)C(
    F)(F)F    		 3-[(2~{S})-2-azanylpropyl]-5-(trifluoromethyl)phenol
    21270 FWC
    ZINC000096077705    		 1 C29 H43 N8 O17 P3 S InChI=1S/C29H43N8O17P3S/c
    1-29(2,23(40)26(41)33-9-8
    -19(38)32-10-11-58-28(42)
    16-6-4-5-7-17(16)31-3)13-
    51-57(48,49)54-56(46,47)5
    0-12-18-22(53-55(43,44)45
    )21(39)27(52-18)37-15-36-
    20-24(30)34-14-35-25(20)3
    7/h4-7,14-15,18,21-23,27,
    31,39-40H,8-13H2,1-3H3,(H
    ,32,38)(H,33,41)(H,46,47)
    (H,48,49)(H2,30,34,35)(H2
    ,43,44,45)/t18-,21-,22-,2
    3+,27-/m1/s1;
    DYCZFHXLKCLDQL-SXQYHYLKSA-N    		 CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2
    cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O
    )NCCSC(=O)c4ccccc4NC)O; CNc1ccccc1C(=O)S
    CCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=
    O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O[
    P](O)(O)=O)n3cnc4c(N)ncnc34; CC(C)(COP(=
    O)(O)OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@@H
    ](O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)[C@H](C
    (=O)NCCC(=O)NCCSC(=O)c4ccccc4NC)O; CNc1c
    cccc1C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(
    C)CO[P](O)(=O)O[P](O)(=O)OC[C@H]2O[C@H](
    [C@H](O)[C@@H]2O[P](O)(O)=O)n3cnc4c(N)nc
    nc34    		 N-Methylanthraniloyl-CoA
    21271 FWD
    CHEMBL123132
    DB02966
    ZINC000002530708    		 17 C7 H8 F N3 O4 InChI=1S/C7H8FN3O4/c8-3-1
    -11(2-4(9)6(13)14)7(15)10
    -5(3)12/h1,4H,2,9H2,(H,13
    ,14)(H,10,12,15)/t4-/m0/s
    1;
    DBWPFHJYSTVBCZ-BYPYZUCNSA-N    		 O=C(O)C(N)CN1C=C(F)C(=O)NC1=O; N[C@@H](C
    N1C=C(F)C(=O)NC1=O)C(O)=O; C1=C(C(=O)NC(
    =O)N1C[C@@H](C(=O)O)N)F; N[CH](CN1C=C(F)
    C(=O)NC1=O)C(O)=O; C1=C(C(=O)NC(=O)N1CC(
    C(=O)O)N)F    		 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID;
    FLUORO-WILLARDIINE
    21272 FWE 2 C44 H38 N6 O12 InChI=1S/C44H38N6O12/c1-2
    2(20-23-4-14-28(51)15-5-2
    3)39(54)46-26-10-6-24(7-1
    1-26)41(56)49-33-21-34(45
    )50(43(33)58)27-12-8-25(9
    -13-27)40(55)47-31-18-16-
    29(35(52)37(31)61-2)42(57
    )48-32-19-17-30(44(59)60)
    36(53)38(32)62-3/h4-21,33
    ,51-53H,45H2,1-3H3,(H,46,
    54)(H,47,55)(H,48,57)(H,4
    9,56)(H,59,60)/b22-20+/t3
    3-/m0/s1;
    VHKFIJVTNPVMBS-QCKJEFJWSA-N    		 CC(=Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC
    3C=C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC
    )O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N; COc1c(
    O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C(
    =C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc6ccc(O)c
    c6)cc5)C4=O)N)c(OC)c2O)C(O)=O; COc1c(O)c
    (ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N4C(=C[
    C@H](NC(=O)c5ccc(NC(=O)C(/C)=C/c6ccc(O)c
    c6)cc5)C4=O)N)c(OC)c2O)C(O)=O; C/C(=C\c1
    ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C
    =C(N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)O
    )C(=O)Nc6ccc(c(c6OC)O)C(=O)O)N
    21273 FWF
    ZINC000098208908    		 38 C24 H36 N2 O4 S2 InChI=1S/C24H36N2O4S2/c1-
    17(2)31(27,28)25-15-19(5)
    21-7-11-23(12-8-21)24-13-
    9-22(10-14-24)20(6)16-26-
    32(29,30)18(3)4/h7-14,17-
    20,25-26H,15-16H2,1-6H3/t
    19-,20-/m0/s1;
    HGLQSTHVRKGLQP-PMACEKPBSA-N    		 CC(C)S(=O)(=O)NCC(C)c1ccc(cc1)c2ccc(cc2)
    C(C)CNS(=O)(=O)C(C)C; CC(C)[S](=O)(=O)NC
    [CH](C)c1ccc(cc1)c2ccc(cc2)[CH](C)CN[S](
    =O)(=O)C(C)C; O=S(=O)(NCC(c2ccc(c1ccc(cc
    1)C(CNS(=O)(=O)C(C)C)C)cc2)C)C(C)C; C[C@
    @H](CNS(=O)(=O)C(C)C)c1ccc(cc1)c2ccc(cc2
    )[C@@H](C)CNS(=O)(=O)C(C)C; CC(C)[S](=O)
    (=O)NC[C@H](C)c1ccc(cc1)c2ccc(cc2)[C@@H]
    (C)CN[S](=O)(=O)C(C)C    		 N,N'-[biphenyl-4,4'-diyldi(2R)propane-2,1-diyl]dipropane-2-sulfonamide
    21274 FWG
    CHEMBL4542419    		 1 C21 H27 N3 O3 S InChI=1S/C21H27N3O3S/c25-
    21(17-6-3-1-2-4-7-17)23-1
    2-14-24(15-13-23)28(26,27
    )20-9-5-8-18-16-22-11-10-
    19(18)20/h5,8-11,16-17H,1
    -4,6-7,12-15H2;
    BNXUOKAWQPMNQC-UHFFFAOYSA-N    		 O=C(C1CCCCCC1)N2CCN(CC2)[S](=O)(=O)c3ccc
    c4cnccc34; c1cc2cnccc2c(c1)S(=O)(=O)N3CC
    N(CC3)C(=O)C4CCCCCC4; C1CN(CCN1C(=O)C2CC
    CCCC2)S(=O)(=O)c4c3ccncc3ccc4    		 cycloheptyl{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}methanone
    21275 FWH
    CHEMBL4584494    		 4 C25 H20 N2 InChI=1S/C25H20N2/c1-16-1
    4-21(19-8-4-6-10-23(19)26
    -16)17(2)18-12-13-25-22(1
    5-18)20-9-5-7-11-24(20)27
    (25)3/h4-15H,2H2,1,3H3;
    QFMFGYHKBRNDLH-UHFFFAOYSA-N    		 Cc1cc(c2ccccc2n1)C(=C)c3ccc4c(c3)c5ccccc
    5n4C; Cn1c2ccccc2c3cc(ccc13)C(=C)c4cc(C)
    nc5ccccc45    		 9-methyl-3-[1-(2-methylquinolin-4-yl)ethenyl]carbazole
    21276 FWI 3 C23 H38 N4 O10 S InChI=1S/C23H38N4O10S/c1-
    13(2)8-16(26-21(31)36-12-
    14-10-27(11-14)22(32)37-2
    3(3,4)5)19(29)25-17(20(30
    )38(33,34)35)9-15-6-7-24-
    18(15)28/h6-7,13-17,20,30
    H,8-12H2,1-5H3,(H,24,28)(
    H,25,29)(H,26,31)(H,33,34
    ,35)/t15-,16-,17-,20?/m0/
    s1;
    WDYXMIZDWOFVQK-HTCLRFROSA-N    		 CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C)
    C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O
    )(=O)=O; CC(C)C[C@H](NC(=O)OCC1CN(C1)C(=
    O)OC(C)(C)C)C(=O)N[C@@H](C[C@@H]2C=CNC2=
    O)[C@H](O)[S](O)(=O)=O; CC(C)C[C@@H](C(=
    O)N[C@@H](C[C@@H]1C=CNC1=O)C(O)S(=O)(=O)
    O)NC(=O)OCC2CN(C2)C(=O)OC(C)(C)C; CC(C)(
    C)OC(=O)N1CC(COC(=O)NC(CC(C)C)C(=O)NC(CC
    2C=CNC2=O)C(O)S(=O)(=O)O)C1; CC(C)CC(C(=
    O)NC(CC1C=CNC1=O)C(O)S(=O)(=O)O)NC(=O)OC
    C2CN(C2)C(=O)OC(C)(C)C    		 (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
    21277 FWJ
    CHEMBL4514261    		 1 C21 H20 F N3 O3 S InChI=1S/C21H20FN3O3S/c22
    -18-6-4-16(5-7-18)14-21(2
    6)24-10-12-25(13-11-24)29
    (27,28)20-3-1-2-17-15-23-
    9-8-19(17)20/h1-9,15H,10-
    14H2;
    MVUOZWVYTYXUCV-UHFFFAOYSA-N    		 c1cc2cnccc2c(c1)S(=O)(=O)N3CCN(CC3)C(=O)
    Cc4ccc(cc4)F; Fc1ccc(CC(=O)N2CCN(CC2)[S]
    (=O)(=O)c3cccc4cnccc34)cc1; C1CN(CCN1C(C
    c2ccc(F)cc2)=O)S(c4c3ccncc3ccc4)(=O)=O    		 2-(4-fluorophenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
    21278 FWK 10 C11 H15 N5 O3 InChI=1S/C11H15N5O3/c1-2-
    5-7(17)8(18)11(19-5)16-4-
    15-6-9(12)13-3-14-10(6)16
    /h3-5,7-8,11,17-18H,2H2,1
    H3,(H2,12,13,14)/t5-,7-,8
    -,11-/m1/s1;
    RLOSCLOIJYLPHI-IOSLPCCCSA-N    		 CC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncn
    c23; CC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2c
    nc3c(N)ncnc23; CC[C@@H]1[C@H]([C@H]([C@@
    H](O1)n2cnc3c2ncnc3N)O)O; CCC1C(C(C(O1)n
    2cnc3c2ncnc3N)O)O    		 (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-ethyl-oxolane-3,4-diol
    21279 FWL 2 C10 H13 I N2 O4 InChI=1S/C10H13IN2O4/c11-
    10-5(1-2-8(14)15)6(3-9(16
    )17)7(4-12)13-10/h13H,1-4
    ,12H2,(H,14,15)(H,16,17);
    SQCPKOTYDSJOKL-UHFFFAOYSA-N    		 NCc1[nH]c(I)c(CCC(O)=O)c1CC(O)=O; C(CC(=
    O)O)c1c(c([nH]c1I)CN)CC(=O)O    		 3-[5-(aminomethyl)-4-(carboxymethyl)-2-iodo-1H-pyrrol-3-yl]propanoic acid;
    2-iodoporphobilinogen
    21280 FWM
    CHEMBL4513396    		 1 C21 H27 N3 O3 S InChI=1S/C21H27N3O3S/c25-
    21(15-17-5-2-1-3-6-17)23-
    11-13-24(14-12-23)28(26,2
    7)20-8-4-7-18-16-22-10-9-
    19(18)20/h4,7-10,16-17H,1
    -3,5-6,11-15H2;
    CUMYYEWYWPAOFL-UHFFFAOYSA-N    		 C1CN(CCN1C(=O)CC2CCCCC2)S(=O)(=O)c4c3ccn
    cc3ccc4; O=C(CC1CCCCC1)N2CCN(CC2)[S](=O)
    (=O)c3cccc4cnccc34; c1cc2cnccc2c(c1)S(=O
    )(=O)N3CCN(CC3)C(=O)CC4CCCCC4    		 2-cyclohexyl-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
    21281 FWN
    CHEMBL1900144
    ZINC000002041050    		 2 C8 H18 O4 InChI=1S/C8H18O4/c1-2-10-
    5-6-12-8-7-11-4-3-9/h9H,2
    -8H2,1H3;
    WFSMVVDJSNMRAR-UHFFFAOYSA-N    		 CCOCCOCCOCCO 2-[2-(2-ethoxyethoxy)ethoxy]ethanol
    21282 FWO
    ZINC000002522597    		 4 C10 H18 N2 O5 InChI=1S/C10H18N2O5/c1-5(
    2)3-7(10(16)17)12-8(13)4-
    6(11)9(14)15/h5-7H,3-4,11
    H2,1-2H3,(H,12,13)(H,14,1
    5)(H,16,17)/t6-,7-/m0/s1;
    IYJILWQAFPUBHP-BQBZGAKWSA-N    		 CC(C)CC(C(=O)O)NC(=O)CC(C(=O)O)N; CC(C)C
    [C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)N; CC
    (C)C[CH](NC(=O)C[CH](N)C(O)=O)C(O)=O; CC
    (C)C[C@H](NC(=O)C[C@H](N)C(O)=O)C(O)=O    		 (2S)-2-[[(3S)-3-azanyl-4-oxidanyl-4-oxidanylidene-butanoyl]amino]-4-methyl-pentanoic acid
    21283 FWP
    CHEMBL4467164    		 1 C23 H25 N3 O5 S InChI=1S/C23H25N3O5S/c1-3
    0-19-7-6-17(21(15-19)31-2
    )14-23(27)25-10-12-26(13-
    11-25)32(28,29)22-5-3-4-1
    8-16-24-9-8-20(18)22/h3-9
    ,15-16H,10-14H2,1-2H3;
    MEHDVSZDAVOOKI-UHFFFAOYSA-N    		 COc1ccc(CC(=O)N2CCN(CC2)[S](=O)(=O)c3ccc
    c4cnccc34)c(OC)c1; COc1ccc(c(c1)OC)CC(=O
    )N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4; C1CN
    (CCN1C(Cc2c(cc(OC)cc2)OC)=O)S(=O)(=O)c4c
    3ccncc3ccc4    		 2-(2,4-dimethoxyphenyl)-1-{4-[(isoquinolin-5-yl)sulfonyl]piperazin-1-yl}ethan-1-one
    21284 FWQ 7 C42 H30 O24 S6 InChI=1S/C42H36O24S6/c43-
    37-19-1-20-8-32(68(52,53)
    54)10-22(38(20)44)3-24-12
    -34(70(58,59)60)14-26(40(
    24)46)5-28-16-36(72(64,65
    )66)18-30(42(28)48)6-29-1
    7-35(71(61,62)63)15-27(41
    (29)47)4-25-13-33(69(55,5
    6)57)11-23(39(25)45)2-21(
    37)9-31(7-19)67(49,50)51/
    h7-18,43-48H,1-6H2,(H,49,
    50,51)(H,52,53,54)(H,55,5
    6,57)(H,58,59,60)(H,61,62
    ,63)(H,64,65,66)/p-6;
    BXOUPTJVBGEDIR-UHFFFAOYSA-H    		 Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc
    (Cc7cc(cc(Cc1cc(c2)[S]([O-])(=O)=O)c7O)[
    S]([O-])(=O)=O)c6O)[S]([O-])(=O)=O)c5O)[
    S]([O-])(=O)=O)c4O)[S]([O-])(=O)=O)c3O)[
    S]([O-])(=O)=O; c1c(cc2c(c1Cc3cc(cc(c3O)
    Cc4cc(cc(c4O)Cc5cc(cc(c5O)Cc6cc(cc(c6O)C
    c7cc(cc(c7O)C2)S(=O)(=O)[O-])S(=O)(=O)[O
    -])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)
    [O-])O)S(=O)(=O)[O-]    		 p-sulfonatocalix[6]arene
    21285 FWR
    CHEMBL5185177    		 1 C15 H21 N3 O S InChI=1S/C15H21N3OS/c1-4-
    11-14(10(3)19)9(2)17-15(1
    1)12-8-20-13(18-12)6-5-7-
    16/h8,17H,4-7,16H2,1-3H3;
    BNBLIFSAGIHMCH-UHFFFAOYSA-N    		 CCc1c(c([nH]c1c2csc(n2)CCCN)C)C(=O)C; CC
    c1c([nH]c(C)c1C(C)=O)c2csc(CCCN)n2    		 1-[5-[2-(3-azanylpropyl)-1,3-thiazol-4-yl]-4-ethyl-2-methyl-1~{H}-pyrrol-3-yl]ethanone
    21286 FWS 1 C22 H22 N4 O5 S InChI=1S/C22H22N4O5S/c1-1
    5-13-25(32(28,29)21-4-2-3
    -16-12-23-8-7-18(16)21)9-
    10-26(15)22(27)24-17-5-6-
    19-20(11-17)31-14-30-19/h
    2-8,11-12,15H,9-10,13-14H
    2,1H3,(H,24,27)/t15-/m0/s
    1;
    JSXIXDYOQGCEHK-HNNXBMFYSA-N    		 c15OCOc1ccc(NC(N2C(C)CN(CC2)S(c4c3ccncc3
    ccc4)(=O)=O)=O)c5; C[C@H]1CN(CCN1C(=O)Nc
    2ccc3OCOc3c2)[S](=O)(=O)c4cccc5cnccc45;
    C[CH]1CN(CCN1C(=O)Nc2ccc3OCOc3c2)[S](=O)
    (=O)c4cccc5cnccc45; C[C@H]1CN(CCN1C(=O)N
    c2ccc3c(c2)OCO3)S(=O)(=O)c4cccc5c4ccnc5;
    CC1CN(CCN1C(=O)Nc2ccc3c(c2)OCO3)S(=O)(=
    O)c4cccc5c4ccnc5    		 (2S)-N-(2H-1,3-benzodioxol-5-yl)-4-[(isoquinolin-5-yl)sulfonyl]-2-methylpiperazine-1-carboxamide
    21287 FWT 0 C56 H40 O32 S8 InChI=1S/C56H48O32S8/c57-
    49-25-1-26-10-42(90(68,69
    )70)12-28(50(26)58)3-30-1
    4-44(92(74,75)76)16-32(52
    (30)60)5-34-18-46(94(80,8
    1)82)20-36(54(34)62)7-38-
    22-48(96(86,87)88)24-40(5
    6(38)64)8-39-23-47(95(83,
    84)85)21-37(55(39)63)6-35
    -19-45(93(77,78)79)17-33(
    53(35)61)4-31-15-43(91(71
    ,72)73)13-29(51(31)59)2-2
    7(49)11-41(9-25)89(65,66)
    67/h9-24,57-64H,1-8H2,(H,
    65,66,67)(H,68,69,70)(H,7
    1,72,73)(H,74,75,76)(H,77
    ,78,79)(H,80,81,82)(H,83,
    84,85)(H,86,87,88)/p-8;
    KCEGJGDGMRAJEP-UHFFFAOYSA-F    		 Oc1c2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc
    (Cc7cc(cc(Cc8cc(cc(Cc9cc(cc(Cc1cc(c2)[S]
    ([O-])(=O)=O)c9O)[S]([O-])(=O)=O)c8O)[S]
    ([O-])(=O)=O)c7O)[S]([O-])(=O)=O)c6O)[S]
    ([O-])(=O)=O)c5O)[S]([O-])(=O)=O)c4O)[S]
    ([O-])(=O)=O)c3O)[S]([O-])(=O)=O; c1c(cc
    2c(c1Cc3cc(cc(c3O)Cc4cc(cc(c4O)Cc5cc(cc(
    c5O)Cc6cc(cc(c6O)Cc7cc(cc(c7O)Cc8cc(cc(c
    8O)Cc9cc(cc(c9O)C2)S(=O)(=O)[O-])S(=O)(=
    O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)
    (=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])O)S
    (=O)(=O)[O-]    		 p-sulfonatocalix[8]arene
    21288 FWU 2 C27 H28 Cl N3 O2 S InChI=1S/C27H28ClN3O2S/c2
    8-26-18-21(12-13-24(26)22
    -8-3-1-4-9-22)19-29-15-5-
    2-6-16-31-34(32,33)27-11-
    7-10-23-20-30-17-14-25(23
    )27/h1,3-4,7-14,17-18,20,
    29,31H,2,5-6,15-16,19H2;
    SPGSRHRSSFONGK-UHFFFAOYSA-N    		 Clc1cc(CNCCCCCN[S](=O)(=O)c2cccc3cnccc23
    )ccc1c4ccccc4; c1ccc(cc1)c2ccc(cc2Cl)CNC
    CCCCNS(=O)(=O)c3cccc4c3ccnc4    		 ~{N}-[5-[(3-chloranyl-4-phenyl-phenyl)methylamino]pentyl]isoquinoline-5-sulfonamide
    21289 FWV
    CHEMBL4472495    		 1 C20 H18 Cl2 N4 O3 S InChI=1S/C20H18Cl2N4O3S/c
    21-16-4-2-5-17(19(16)22)2
    4-20(27)25-9-11-26(12-10-
    25)30(28,29)18-6-1-3-14-1
    3-23-8-7-15(14)18/h1-8,13
    H,9-12H2,(H,24,27);
    OPIJBEYHDBKGKX-UHFFFAOYSA-N    		 Clc1cccc(NC(=O)N2CCN(CC2)[S](=O)(=O)c3cc
    cc4cnccc34)c1Cl; c1cc2cnccc2c(c1)S(=O)(=
    O)N3CCN(CC3)C(=O)Nc4cccc(c4Cl)Cl; C(=O)(
    Nc1cccc(Cl)c1Cl)N2CCN(CC2)S(c4c3ccncc3cc
    c4)(=O)=O    		 N-(2,3-dichlorophenyl)-4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carboxamide
    21290 FWW 2 C44 H37 N5 O13 InChI=1S/C44H37N5O13/c1-2
    2(20-23-4-14-28(50)15-5-2
    3)39(54)45-26-10-6-24(7-1
    1-26)41(56)48-33-21-34(51
    )49(43(33)58)27-12-8-25(9
    -13-27)40(55)46-31-18-16-
    29(35(52)37(31)61-2)42(57
    )47-32-19-17-30(44(59)60)
    36(53)38(32)62-3/h4-20,33
    ,50,52-53H,21H2,1-3H3,(H,
    45,54)(H,46,55)(H,47,57)(
    H,48,56)(H,59,60)/b22-20+
    /t33-/m0/s1;
    XOWPHBSEUBUKBU-QCKJEFJWSA-N    		 COc1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc
    3)N4C(=O)C[CH](NC(=O)c5ccc(NC(=O)C(C)=Cc
    6ccc(O)cc6)cc5)C4=O)c(OC)c2O)C(O)=O; COc
    1c(O)c(ccc1NC(=O)c2ccc(NC(=O)c3ccc(cc3)N
    4C(=O)C[C@H](NC(=O)c5ccc(NC(=O)C(/C)=C/c
    6ccc(O)cc6)cc5)C4=O)c(OC)c2O)C(O)=O; CC(
    =Cc1ccc(cc1)O)C(=O)Nc2ccc(cc2)C(=O)NC3CC
    (=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC)
    O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O; C/C(=C\c1
    ccc(cc1)O)/C(=O)Nc2ccc(cc2)C(=O)N[C@H]3C
    C(=O)N(C3=O)c4ccc(cc4)C(=O)Nc5ccc(c(c5OC
    )O)C(=O)Nc6ccc(c(c6OC)O)C(=O)O
    21291 FWX
    CHEMBL2331646
    ZINC000095588443    		 2 C22 H29 N5 O2 InChI=1S/C22H29N5O2/c1-4-
    24-22-25-18-11-12-27(13-1
    7(18)20(26-22)21(23)29)19
    (28)10-7-15-5-8-16(9-6-15
    )14(2)3/h5-6,8-9,14H,4,7,
    10-13H2,1-3H3,(H2,23,29)(
    H,24,25,26);
    BXJNYBTXBRHAEU-UHFFFAOYSA-N    		 CCNc1nc2c(c(n1)C(=O)N)CN(CC2)C(=O)CCc3cc
    c(cc3)C(C)C; CCNc1nc2CCN(Cc2c(n1)C(N)=O)
    C(=O)CCc3ccc(cc3)C(C)C    		 2-(ethylamino)-6-[3-(4-propan-2-ylphenyl)propanoyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-4-carboxamide
    21292 FWY 1 C20 H19 N4 O5 S InChI=1S/C20H19N4O5S/c25-
    20(15-3-1-5-17(13-15)24(2
    6)27)22-9-11-23(12-10-22)
    30(28,29)19-6-2-4-16-14-2
    1-8-7-18(16)19/h1-8,13-14
    H,9-12H2,(H,26,27)/q+1;
    JQYQEKDPLZLZII-UHFFFAOYSA-N    		 O[N+](=O)c1cccc(c1)C(=O)N2CCN(CC2)[S](=O
    )(=O)c3cccc4cnccc34; c1cc(cc(c1)[N+](=O)
    O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4
    ; C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c
    4cccc([N+](O)=O)c4)=O    		 hydroxy(3-{4-[(isoquinolin-5-yl)sulfonyl]piperazine-1-carbonyl}phenyl)oxoammonium
    21293 FWZ
    CHEMBL4755293    		 12 C49 H58 F N9 O6 S InChI=1S/C49H58FN9O6S/c1-
    30-42(66-29-53-30)33-13-1
    4-34(26-52-45(62)39-24-35
    (60)28-59(39)46(63)43(48(
    2,3)4)54-47(64)49(50)16-1
    7-49)41(23-33)65-22-15-31
    -9-11-32(12-10-31)27-57-1
    8-20-58(21-19-57)38-25-37
    (55-56-44(38)51)36-7-5-6-
    8-40(36)61/h5-14,23,25,29
    ,35,39,43,60-61H,15-22,24
    ,26-28H2,1-4H3,(H2,51,56)
    (H,52,62)(H,54,64)/t35-,3
    9+,43-/m1/s1;
    UTZVLJZPTDCKCT-XBPZXCMESA-N    		 Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=
    O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCc5cc
    c(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8O)cc5)c2
    ; Cc1ncsc1c2ccc(CNC(=O)[C@@H]3C[C@@H](O)
    CN3C(=O)[C@@H](NC(=O)C4(F)CC4)C(C)(C)C)c
    (OCCc5ccc(CN6CCN(CC6)c7cc(nnc7N)c8ccccc8
    O)cc5)c2; Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(
    cc3)CN4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(
    =O)C7CC(CN7C(=O)C(C(C)(C)C)NC(=O)C8(CC8)
    F)O; Cc1c(scn1)c2ccc(c(c2)OCCc3ccc(cc3)C
    N4CCN(CC4)c5cc(nnc5N)c6ccccc6O)CNC(=O)[C
    @@H]7C[C@H](CN7C(=O)[C@H](C(C)(C)C)NC(=O
    )C8(CC8)F)O    		 (2~{S},4~{R})-~{N}-[[2-[2-[4-[[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]methyl]phenyl]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    21294 FX0
    CHEMBL567640
    ZINC000043207363    		 2 C27 H46 O5 InChI=1S/C27H46O5/c1-6-17
    -20-12-16(28)9-10-26(20,4
    )21-13-22(29)27(5)18(14(2
    )11-15(3)25(31)32)7-8-19(
    27)23(21)24(17)30/h14-24,
    28-30H,6-13H2,1-5H3,(H,31
    ,32)/t14-,15+,16-,17-,18-
    ,19+,20+,21+,22+,23+,24-,
    26+,27-/m1/s1;
    NPBCMXATLRCCLF-IRRLEISYSA-N    		 CCC1C2CC(CCC2(C3CC(C4(C(C3C1O)CCC4C(C)CC
    (C)C(=O)O)C)O)C)O; CC[C@H]1[C@@H](O)[C@H
    ]2[C@@H]3CC[C@H]([C@H](C)C[C@H](C)C(O)=O
    )[C@@]3(C)[C@@H](O)C[C@@H]2[C@@]4(C)CC[C
    @@H](O)C[C@@H]14; CC[C@@H]1[C@@H]2C[C@@H
    ](CC[C@@]2([C@H]3C[C@@H]([C@]4([C@H]([C@
    @H]3[C@@H]1O)CC[C@@H]4[C@H](C)C[C@H](C)C
    (=O)O)C)O)C)O; CC[CH]1[CH](O)[CH]2[CH]3C
    C[CH]([CH](C)C[CH](C)C(O)=O)[C]3(C)[CH](
    O)C[CH]2[C]4(C)CC[CH](O)C[CH]14    		 (2S,4R)-4-[(3R,5S,6R,7R,8R,9S,10S,12S,13R,14S,17R)-6-ethyl-10,13-dimethyl-3,7,12-tris(oxidanyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-pentanoic acid
    21295 FX1
    ZINC000058631711    		 1 C6 H10 O6 InChI=1S/C6H10O6/c7-1-3-4
    (9)5(10)6(11,2-8)12-3/h3,
    5,7-8,10-11H,1-2H2/t3-,5+
    ,6-/m1/s1;
    LAWYCIPOFYQBDZ-PQLUHFTBSA-N    		 OC[CH]1O[C](O)(CO)[CH](O)C1=O; C([C@@H]1
    C(=O)[C@@H]([C@](O1)(CO)O)O)O; OC[C@H]1O
    [C@](O)(CO)[C@@H](O)C1=O; C(C1C(=O)C(C(O
    1)(CO)O)O)O    		 beta-D-threo-hexo-2,4-diulo-2,5-furanose;
    beta-D-threo-hexo-2,4-diulo-2,5-se;
    D-threo-hexo-2,4-diulo-2,5-se;
    threo-hexo-2,4-diulo-2,5-se
    21296 FX2 1 C22 H18 F3 N3 O3 InChI=1S/C22H18F3N3O3/c1-
    13-20(27-19-9-17(30-2)7-8
    -18(19)21(13)29)15-10-26-
    28(12-15)11-14-3-5-16(6-4
    -14)31-22(23,24)25/h3-10,
    12-13H,11H2,1-2H3/t13-/m0
    /s1;
    MHUJCWZTTGWJRK-ZDUSSCGKSA-N    		 COc1ccc2C(=O)[C@@H](C)C(=Nc2c1)c3cnn(Cc4
    ccc(OC(F)(F)F)cc4)c3; CC1C(=O)c2ccc(cc2N
    =C1c3cnn(c3)Cc4ccc(cc4)OC(F)(F)F)OC; COc
    1ccc2C(=O)[CH](C)C(=Nc2c1)c3cnn(Cc4ccc(O
    C(F)(F)F)cc4)c3    		 7-methoxy-3-methyl-2-[1-[[4-(trifluoromethyloxy)phenyl]methyl]pyrazol-4-yl]-3~{H}-quinolin-4-one
    21297 FX3
    ZINC000058638356    		 1 C15 H18 O8 InChI=1S/C15H18O8/c1-21-1
    0-6-8(2-4-9(10)16)3-5-12(
    17)22-7-11-13(18)14(19)15
    (20)23-11/h2-6,11,13-16,1
    8-20H,7H2,1H3/b5-3+/t11-,
    13-,14-,15+/m0/s1;
    BDEXCUQHBTVULQ-NNDRJBMQSA-N    		 O=C(OCC1OC(O)C(O)C1O)\C=C\c2ccc(O)c(OC)c
    2; COc1cc(ccc1O)C=CC(=O)OCC2C(C(C(O2)O)O
    )O; COc1cc(C=CC(=O)OC[CH]2O[CH](O)[CH](O
    )[CH]2O)ccc1O; COc1cc(/C=C/C(=O)OC[C@@H]
    2O[C@@H](O)[C@@H](O)[C@H]2O)ccc1O; COc1c
    c(ccc1O)\C=C\C(=O)OC[C@H]2[C@@H]([C@@H](
    [C@@H](O2)O)O)O    		 5-O-[(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]-alpha-L-ribofuranose
    21298 FX4
    CHEMBL396176
    ZINC000028822569    		 1 C15 H13 N O8 S InChI=1S/C15H13NO8S/c1-23
    -9-3-2-8(4-10(9)24-7-13(1
    9)20)5-11-14(21)16(6-12(1
    7)18)15(22)25-11/h2-5H,6-
    7H2,1H3,(H,17,18)(H,19,20
    )/b11-5-;
    DLKPSHJFPIKYCB-WZUFQYTHSA-N    		 O=C(O)CN1C(=O)C(\SC1=O)=C\c2ccc(OC)c(OCC
    (=O)O)c2; COc1ccc(cc1OCC(=O)O)C=C2C(=O)N
    (C(=O)S2)CC(=O)O; COc1ccc(cc1OCC(O)=O)C=
    C2SC(=O)N(CC(O)=O)C2=O; COc1ccc(cc1OCC(=
    O)O)\C=C/2\C(=O)N(C(=O)S2)CC(=O)O; COc1c
    cc(cc1OCC(O)=O)\C=C2/SC(=O)N(CC(O)=O)C2=
    O    		 [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid;
    [5-(3-carboxymethoxy-4-methoxybenzylidene)-2,4-dioxothiazolidin-3-yl]acetic acid
    21299 FX5 6 C14 H18 N5 O InChI=1S/C14H17N5O/c15-14
    -12(19-7-5-16-6-8-19)9-11
    (17-18-14)10-3-1-2-4-13(1
    0)20/h1-4,9,16,20H,5-8H2,
    (H2,15,18)/p+1;
    SZKHGLTYXIDOFH-UHFFFAOYSA-O    		 Nc1nnc(cc1N2CC[NH2+]CC2)c3ccccc3O; c1ccc
    (c(c1)c2cc(c(nn2)N)N3CC[NH2+]CC3)O    		 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol
    21300 FX6
    ZINC000000281022    		 2 C9 H11 N5 O2 S InChI=1S/C9H11N5O2S/c1-2-
    4(8(15)16)17-9-13-5-6(10)
    11-3-12-7(5)14-9/h3-4H,2H
    2,1H3,(H,15,16)(H3,10,11,
    12,13,14)/t4-/m0/s1;
    USXGXECUDHKQHW-BYPYZUCNSA-N    		 CC[C@@H](C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N;
    CC[CH](Sc1[nH]c2ncnc(N)c2n1)C(O)=O; CCC(
    C(=O)O)Sc1[nH]c2c(n1)c(ncn2)N; CC[C@H](S
    c1[nH]c2ncnc(N)c2n1)C(O)=O    		 (2S)-2-[(6-azanyl-9H-purin-8-yl)sulfanyl]butanoic acid
    21301 FX7 4 C22 H24 Br2 N2 O5 InChI=1S/C22H24Br2N2O5/c1
    -2-3-4-5-6-11-20(27)31-21
    -15(12-16(23)13-18(21)24)
    14-25-22(28)17-9-7-8-10-1
    9(17)26(29)30/h7-10,12-13
    H,2-6,11,14H2,1H3,(H,25,2
    8);
    NDEWIQZBBTYPHA-UHFFFAOYSA-N    		 C(CCC)CCCC(Oc1c(Br)cc(Br)cc1CNC(c2ccccc2
    [N+]([O-])=O)=O)=O; CCCCCCCC(=O)Oc1c(cc(
    cc1Br)Br)CNC(=O)c2ccccc2[N+](=O)[O-]; CC
    CCCCCC(=O)Oc1c(Br)cc(Br)cc1CNC(=O)c2cccc
    c2[N+]([O-])=O    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl octanoate
    21302 FX8 4 C46 H60 F N9 O8 S InChI=1S/C46H60FN9O8S/c1-
    29-39(65-28-50-29)30-9-10
    -31(26-49-42(59)36-24-32(
    57)27-56(36)43(60)40(45(2
    ,3)4)51-44(61)46(47)11-12
    -46)38(23-30)64-22-21-63-
    20-19-62-18-17-54-13-15-5
    5(16-14-54)35-25-34(52-53
    -41(35)48)33-7-5-6-8-37(3
    3)58/h5-10,23,25,28,32,36
    ,40,57-58H,11-22,24,26-27
    H2,1-4H3,(H2,48,53)(H,49,
    59)(H,51,61)/t32-,36+,40-
    /m1/s1;
    QCULBRPVCWJUKY-OUMVKTTMSA-N    		 Cc1c(scn1)c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)
    c4cc(nnc4N)c5ccccc5O)CNC(=O)C6CC(CN6C(=O
    )C(C(C)(C)C)NC(=O)C7(CC7)F)O; Cc1c(scn1)
    c2ccc(c(c2)OCCOCCOCCN3CCN(CC3)c4cc(nnc4N
    )c5ccccc5O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)
    [C@H](C(C)(C)C)NC(=O)C7(CC7)F)O; Cc1ncsc
    1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](
    NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5CCN
    (CC5)c6cc(nnc6N)c7ccccc7O)c2; Cc1ncsc1c2
    ccc(CNC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@@
    H](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCOCCOCCN5
    CCN(CC5)c6cc(nnc6N)c7ccccc7O)c2    		 (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
    21303 FX9
    CHEMBL4247645
    ZINC000002170205    		 1 C10 H10 F3 N O2 InChI=1S/C10H10F3NO2/c11-
    10(12,13)7-3-1-2-6(4-7)5-
    8(14)9(15)16/h1-4,8H,5,14
    H2,(H,15,16)/t8-/m0/s1;
    BURBNIPKSRJAIQ-QMMMGPOBSA-N    		 N[C@@H](Cc1cccc(c1)C(F)(F)F)C(O)=O; c1cc
    (cc(c1)C(F)(F)F)CC(C(=O)O)N; N[CH](Cc1cc
    cc(c1)C(F)(F)F)C(O)=O; c1cc(cc(c1)C(F)(F
    )F)C[C@@H](C(=O)O)N    		 (2S)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
    21304 FXA
    CHEMBL402761
    DB07800
    ZINC000024974122    		 1 C23 H17 Cl N4 O4 S InChI=1S/C23H17ClN4O4S/c2
    4-17-10-13-21(25-15-17)27
    -33(31,32)20-6-2-1-5-19(2
    0)26-23(30)16-8-11-18(12-
    9-16)28-14-4-3-7-22(28)29
    /h1-15H,(H,25,27)(H,26,30
    );
    MIJGLXFQYBTIFY-UHFFFAOYSA-N    		 c1ccc(c(c1)NC(=O)c2ccc(cc2)N3C=CC=CC3=O)
    S(=O)(=O)Nc4ccc(cn4)Cl; Clc1ccc(N[S](=O)
    (=O)c2ccccc2NC(=O)c3ccc(cc3)N4C=CC=CC4=O
    )nc1; Clc1ccc(nc1)NS(=O)(=O)c2ccccc2NC(=
    O)c3ccc(cc3)N4C=CC=CC4=O    		 N-(2-(((5-CHLORO-2-PYRIDINYL)AMINO)SULFONYL)PHENYL)-4-(2-OXO-1(2H)-PYRIDINYL)BENZAMIDE;
    N-{2-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}-4-(2-oxopyridin-1(2H)-yl)benzamide
    21305 FXB 5 C21 H21 N O3 InChI=1S/C21H21NO3/c1-4-1
    1-25-16-10-5-7-13-17(16)2
    0-19(21(13)24)18-14(22(20
    )12(2)3)8-6-9-15(18)23/h4
    -5,7,10,12H,1,6,8-9,11H2,
    2-3H3;
    SPPQIWGQWJYZTO-UHFFFAOYSA-N    		 CC(C)n1c2c(c3c1-c4c(cccc4OCC=C)C3=O)C(=O
    )CCC2; CC(C)n1c2CCCC(=O)c2c3C(=O)c4cccc(
    OCC=C)c4c13    		 5-propan-2-yl-4-prop-2-enoxy-7,8-dihydro-6~{H}-indeno[1,2-b]indole-9,10-dione
    21306 FXC
    ZINC000002170206    		 1 C10 H10 F3 N O2 InChI=1S/C10H10F3NO2/c11-
    10(12,13)7-3-1-2-6(4-7)5-
    8(14)9(15)16/h1-4,8H,5,14
    H2,(H,15,16)/t8-/m1/s1;
    BURBNIPKSRJAIQ-MRVPVSSYSA-N    		 c1cc(cc(c1)C(F)(F)F)C[C@H](C(=O)O)N; c1c
    c(cc(c1)C(F)(F)F)CC(C(=O)O)N; N[C@H](Cc1
    cccc(c1)C(F)(F)F)C(O)=O; N[CH](Cc1cccc(c
    1)C(F)(F)F)C(O)=O    		 (2R)-2-azanyl-3-[3-(trifluoromethyl)phenyl]propanoic acid
    21307 FXD 8 C21 H14 Br2 N2 O5 InChI=1S/C21H14Br2N2O5/c2
    2-15-10-14(12-24-20(26)16
    -8-4-5-9-18(16)25(28)29)1
    9(17(23)11-15)30-21(27)13
    -6-2-1-3-7-13/h1-11H,12H2
    ,(H,24,26);
    TYMXZAAQZPJROA-UHFFFAOYSA-N    		 [N+]([O-])(c1ccccc1C(=O)NCc2c(c(cc(c2)Br
    )Br)OC(=O)c3ccccc3)=O; c1ccc(cc1)C(=O)Oc
    2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)[O
    -]; [O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)c
    c(Br)c2OC(=O)c3ccccc3    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl benzoate
    21308 FXE
    CHEMBL1323288
    ZINC000000147646    		 4 C17 H18 N4 O3 InChI=1S/C17H18N4O3/c1-21
    -12-8-6-10-14(24-3)15(12)
    16(20-21)19-17(22)18-11-7
    -4-5-9-13(11)23-2/h4-10H,
    1-3H3,(H2,18,19,20,22);
    JTBMRDKIPGSWTG-UHFFFAOYSA-N    		 Cn1c2cccc(c2c(n1)NC(=O)Nc3ccccc3OC)OC; C
    Oc1ccccc1NC(=O)Nc2nn(C)c3cccc(OC)c23; O=
    C(Nc1ccccc1OC)Nc3nn(c2cccc(OC)c23)C    		 1-(4-methoxy-1-methyl-indazol-3-yl)-3-(2-methoxyphenyl)urea
    21309 FXF
    ZINC000003679861    		 1 C9 H10 Br N O2 InChI=1S/C9H10BrNO2/c10-7
    -3-1-2-6(4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m1/s1;
    GDMOHOYNMWWBAU-MRVPVSSYSA-N    		 N[C@H](Cc1cccc(Br)c1)C(O)=O; c1cc(cc(c1)
    Br)C[C@H](C(=O)O)N; c1cc(cc(c1)Br)CC(C(=
    O)O)N; N[CH](Cc1cccc(Br)c1)C(O)=O    		 (2R)-2-azanyl-3-(3-bromophenyl)propanoic acid
    21310 FXG
    CHEMBL521105
    DB07801
    ZINC000040933824    		 1 C22 H29 N7 O2 InChI=1S/C22H29N7O2/c1-2-
    3-11-24-22(31)16-8-7-9-17
    (13-16)29-18(30)10-5-4-6-
    12-23-20-19-21(26-14-25-1
    9)28-15-27-20/h7-9,13-15H
    ,2-6,10-12H2,1H3,(H,24,31
    )(H,29,30)(H2,23,25,26,27
    ,28);
    WOYITRCGMUXUDE-UHFFFAOYSA-N    		 O=C(NCCCC)c1cc(ccc1)NC(=O)CCCCCNc3ncnc2c
    3ncn2; CCCCNC(=O)c1cccc(NC(=O)CCCCCNc2nc
    nc3[nH]cnc23)c1; CCCCNC(=O)c1cccc(c1)NC(
    =O)CCCCCNc2c3c([nH]cn3)ncn2    		 N-butyl-3-{[6-(9H-purin-6-ylamino)hexanoyl]amino}benzamide
    21311 FXH
    CHEMBL1368771
    ZINC000000129301    		 1 C13 H15 N O InChI=1S/C13H15NO/c1-14(2
    )9-12-11-6-4-3-5-10(11)7-
    8-13(12)15/h3-8,15H,9H2,1
    -2H3;
    GOHHBFSPKLRUNF-UHFFFAOYSA-N    		 CN(C)Cc1c2ccccc2ccc1O; CN(C)Cc1c(O)ccc2c
    cccc12    		 1-[(dimethylamino)methyl]naphthalen-2-ol
    21312 FXI
    ZINC000016052412    		 1 C28 H29 Cl F N3 O4 S InChI=1S/C28H29ClFN3O4S/c
    1-3-4-17-33(27(35)31-21-1
    2-10-20(29)11-13-21)28(15
    -16-28)26(34)32-24-14-9-1
    9(18-23(24)30)22-7-5-6-8-
    25(22)38(2,36)37/h5-14,18
    H,3-4,15-17H2,1-2H3,(H,31
    ,35)(H,32,34);
    YZDZQPIVASXYKY-UHFFFAOYSA-N    		 O=C(Nc2ccc(c1ccccc1S(=O)(=O)C)cc2F)C4(N(
    C(=O)Nc3ccc(Cl)cc3)CCCC)CC4; CCCCN(C(=O)
    Nc1ccc(cc1)Cl)C2(CC2)C(=O)Nc3ccc(cc3F)c4
    ccccc4S(=O)(=O)C; CCCCN(C(=O)Nc1ccc(Cl)c
    c1)C2(CC2)C(=O)Nc3ccc(cc3F)c4ccccc4[S](C
    )(=O)=O    		 1-(butyl{[(4-chlorophenyl)amino]carbonyl}amino)-N-[3-fluoro-2'-(methylsulfonyl)biphenyl-4-yl]cyclopropanecarboxamide
    21313 FXJ 4 C22 H16 Br2 N2 O6 InChI=1S/C22H16Br2N2O6/c1
    -31-16-8-6-13(7-9-16)22(2
    8)32-20-14(10-15(23)11-18
    (20)24)12-25-21(27)17-4-2
    -3-5-19(17)26(29)30/h2-11
    H,12H2,1H3,(H,25,27);
    ROLCPHUGRGJKFB-UHFFFAOYSA-N    		 COc1ccc(cc1)C(=O)Oc2c(Br)cc(Br)cc2CNC(=O
    )c3ccccc3[N+]([O-])=O; COc1ccc(cc1)C(=O)
    Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=O)
    [O-]; c2(Br)cc(cc(CNC(c1ccccc1[N+]([O-])
    =O)=O)c2OC(c3ccc(cc3)OC)=O)Br    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-methoxybenzoate
    21314 FXK
    CHEMBL155625
    DB12881
    ZINC000000158743    		 1 C9 H9 N O InChI=1S/C9H9NO/c11-6-7-5
    -10-9-4-2-1-3-8(7)9/h1-5,
    10-11H,6H2;
    IVYPNXXAYMYVSP-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)CO; OCc1c[nH]c2ccccc
    12    		 1~{H}-indol-3-ylmethanol
    21315 FXL
    ZINC000002382502    		 1 C9 H10 Cl N O2 InChI=1S/C9H10ClNO2/c10-7
    -3-1-2-6(4-7)5-8(11)9(12)
    13/h1-4,8H,5,11H2,(H,12,1
    3)/t8-/m1/s1;
    JJDJLFDGCUYZMN-MRVPVSSYSA-N    		 c1cc(cc(c1)Cl)C[C@H](C(=O)O)N; c1cc(cc(c
    1)Cl)CC(C(=O)O)N; N[C@H](Cc1cccc(Cl)c1)C
    (O)=O; N[CH](Cc1cccc(Cl)c1)C(O)=O    		 (2R)-2-azanyl-3-(3-chlorophenyl)propanoic acid
    21316 FXM
    ZINC000584905577    		 1 C23 H31 N5 O8 S2 InChI=1S/C23H31N5O8S2/c1-
    5-6-13(15-10-38-21(24)27-
    15)17(30)26-14(7-29)18-28
    -16(12(9-37-18)8-34-22(25
    )33)19(31)35-11-36-20(32)
    23(2,3)4/h6-7,10,14,18,28
    H,5,8-9,11H2,1-4H3,(H2,24
    ,27)(H2,25,33)(H,26,30)/b
    13-6-/t14-,18-/m1/s1;
    CXZSGDIZUNIAQH-FJWVKOTRSA-N    		 CC/C=C(/c1csc(n1)N)\C(=O)N[C@H](C=O)[C@@
    H]2NC(=C(CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(
    C)C; CCC=C(C(=O)N[CH](C=O)[CH]1NC(=C(COC
    (N)=O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)
    n2; CCC=C(c1csc(n1)N)C(=O)NC(C=O)C2NC(=C
    (CS2)COC(=O)N)C(=O)OCOC(=O)C(C)(C)C; CC\
    C=C(/C(=O)N[C@H](C=O)[C@@H]1NC(=C(COC(N)
    =O)CS1)C(=O)OCOC(=O)C(C)(C)C)c2csc(N)n2    		 2,2-dimethylpropanoyloxymethyl (2R)-5-(aminocarbonyloxymethyl)-2-[(1R)-1-[[(Z)-2-(2-azanyl-1,3-thiazol-4-yl)pent-2-enoyl]amino]-2-oxidanylidene-ethyl]- 3,6-dihydro-2H-1,3-thiazine-4-carboxylate;
    FLOMOX open form
    21317 FXN
    DB03384
    ZINC000005889384    		 2 C11 H11 F N2 O S InChI=1S/C11H11FN2OS/c12-
    8-1-2-9-7(5-8)6-10(14-9)1
    1(15)13-3-4-16/h1-2,5-6,1
    4,16H,3-4H2,(H,13,15);
    JFUIHGAGFMFNRD-UHFFFAOYSA-N    		 Fc1cc2c(cc1)nc(c2)C(=O)NCCS; c1cc2c(cc1F
    )cc([nH]2)C(=O)NCCS; Fc1ccc2[nH]c(cc2c1)
    C(=O)NCCS    		 5-FLUORO-1H-INDOLE-2-CARBOXYLIC ACID-(2-MERCAPTO-ETHYL)-AMIDE;
    FICA
    21318 FXQ
    CHEMBL102740
    ZINC000001529581    		 0 C6 H16 N6 InChI=1S/C6H16N6/c7-5(8)1
    1-3-1-2-4-12-6(9)10/h1-4H
    2,(H4,7,8,11)(H4,9,10,12);
    HGMDNMBBCKDWTQ-UHFFFAOYSA-N    		 NC(=N)NCCCCNC(N)=N; [H]/N=C(/N)\NCCCCNC(
    =N)N; C(CCNC(=N)N)CNC(=N)N    		 1-(4-carbamimidamidobutyl)guanidine
    21319 FXR 3 C19 H16 N6 O2 InChI=1S/C19H16N6O2/c1-11
    -4-3-7-25-17(11)24-16-14(
    19(25)27)8-13(15(20)23-16
    )18(26)22-10-12-5-2-6-21-
    9-12/h2-9H,10H2,1H3,(H2,2
    0,23)(H,22,26);
    FDRSMDXOIMNVLE-UHFFFAOYSA-N    		 CC1=CC=CN2C1=Nc3c(cc(c(n3)N)C(=O)NCc4ccc
    nc4)C2=O; CC1=CC=CN2C(=O)c3cc(c(N)nc3N=C
    12)C(=O)NCc4cccnc4    		 6-azanyl-11-methyl-2-oxidanylidene-N-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.0^3,8]tetradeca-3(8),4,6,9,11,13-hexaene-5-carboxamide
    21320 FXS 8 C21 H13 Br2 N3 O7 InChI=1S/C21H13Br2N3O7/c2
    2-13-9-12(11-24-20(27)14-
    5-1-3-7-17(14)25(29)30)19
    (16(23)10-13)33-21(28)15-
    6-2-4-8-18(15)26(31)32/h1
    -10H,11H2,(H,24,27);
    LZFWIBPLLYTTGG-UHFFFAOYSA-N    		 c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=O)c3cccc
    c3[N+](=O)[O-])Br)Br)[N+](=O)[O-]; [O-][
    N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br)c2OC
    (=O)c3ccccc3[N+]([O-])=O; c1ccc(c(c1)[N+
    ](=O)[O-])C(Oc2c(cc(cc2Br)Br)CNC(c3c(ccc
    c3)[N+]([O-])=O)=O)=O    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-nitrobenzoate
    21321 FXT
    CHEMBL101996    		 0 C7 H18 N6 InChI=1S/C7H18N6/c8-6(9)1
    2-4-2-1-3-5-13-7(10)11/h1
    -5H2,(H4,8,9,12)(H4,10,11
    ,13);
    FIHKQNOFFQZHRM-UHFFFAOYSA-N    		 [H]/N=C(/N)\NCCCCCNC(=N)N; NC(=N)NCCCCCN
    C(N)=N; C(CCNC(=N)N)CCNC(=N)N    		 1-(5-carbamimidamidopentyl)guanidine
    21322 FXU
    CHEMBL4744809    		 2 C12 H15 F3 N2 O4 S InChI=1S/C12H15F3N2O4S/c1
    -22(19,20)6-5-10(16)11(18
    )17-8-3-2-4-9(7-8)21-12(1
    3,14)15/h2-4,7,10H,5-6,16
    H2,1H3,(H,17,18)/t10-/m1/
    s1;
    SJCAGVRRCBPLMJ-SNVBAGLBSA-N    		 C[S](=O)(=O)CC[CH](N)C(=O)Nc1cccc(OC(F)(
    F)F)c1; C[S](=O)(=O)CC[C@@H](N)C(=O)Nc1c
    ccc(OC(F)(F)F)c1; CS(=O)(=O)CCC(C(=O)Nc1
    cccc(c1)OC(F)(F)F)N; CS(=O)(=O)CC[C@H](C
    (=O)Nc1cccc(c1)OC(F)(F)F)N    		 (2R)-2-azanyl-4-methylsulfonyl-N-[3-(trifluoromethyloxy)phenyl]butanamide
    21323 FXV 1 C25 H27 N4 O4 InChI=1S/C25H26N4O4/c1-16
    (22(25(31)33-2)15-17-4-3-
    5-21(14-17)23(26)27)28-24
    (30)20-8-6-18(7-9-20)19-1
    0-12-29(32)13-11-19/h3-14
    ,16,22H,15H2,1-2H3,(H3,26
    ,27)(H,28,30)/p+1/t16-,22
    -/m1/s1;
    PFGVNLZDWRZPJW-OPAMFIHVSA-O    		 O=C(OC)C(Cc1cc(C(=[NH2+])\N)ccc1)C(NC(=O
    )c3ccc(c2cc[n+]([O-])cc2)cc3)C; CC(C(Cc1
    cccc(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(
    cc2)c3cc[n+](cc3)[O-]; COC(=O)[C@H](Cc1c
    ccc(c1)C(N)=[NH2+])[C@@H](C)NC(=O)c2ccc(
    cc2)c3cc[n+]([O-])cc3; COC(=O)[CH](Cc1cc
    cc(c1)C(N)=[NH2+])[CH](C)NC(=O)c2ccc(cc2
    )c3cc[n+]([O-])cc3; C[C@H]([C@@H](Cc1ccc
    c(c1)C(=[NH2+])N)C(=O)OC)NC(=O)c2ccc(cc2
    )c3cc[n+](cc3)[O-]    		 METHYL-3-(4'-N-OXOPYRIDYLPHENOYL)-3-METHYL-2-(M-AMIDINOBENZYL)-PROPIONATE;
    FXV673
    21324 FXW
    CHEMBL4218628    		 6 C22 H26 N4 O4 S2 InChI=1S/C22H26N4O4S2/c27
    -31(28)21-9-3-15(11-19(21
    )25(13-23-31)17-5-6-17)1-
    2-16-4-10-22-20(12-16)26(
    18-7-8-18)14-24-32(22,29)
    30/h3-4,9-12,17-18,23-24H
    ,1-2,5-8,13-14H2;
    TVWVZMLPANTKEA-UHFFFAOYSA-N    		 c1cc2c(cc1CCc3ccc4c(c3)N(CNS4(=O)=O)C5CC
    5)N(CNS2(=O)=O)C6CC6; O=[S]1(=O)NCN(C2CC
    2)c3cc(CCc4ccc5c(c4)N(CN[S]5(=O)=O)C6CC6
    )ccc13    		 6,6'-(ETHANE-1,2-DIYL)BIS(4-CYCLOPROPYL-3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE 1,1-DIOXIDE)
    21325 FXX
    CHEMBL4755686    		 4 C11 H11 F3 N2 O4 InChI=1S/C11H11F3N2O4/c12
    -11(13,14)20-7-3-1-2-6(4-
    7)16-10(19)8(15)5-9(17)18
    /h1-4,8H,5,15H2,(H,16,19)
    (H,17,18)/t8-/m1/s1;
    LHAPJSHUQJWWEP-MRVPVSSYSA-N    		 N[CH](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c1;
    N[C@H](CC(O)=O)C(=O)Nc1cccc(OC(F)(F)F)c
    1; c1cc(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CC(
    =O)O)N; c1cc(cc(c1)OC(F)(F)F)NC(=O)C(CC(
    =O)O)N    		 (3R)-3-azanyl-4-oxidanylidene-4-[[3-(trifluoromethyloxy)phenyl]amino]butanoic acid
    21326 FXY
    DB02131    		 2 C9 H19 N O InChI=1S/C9H19NO/c1-3-4-5
    -6-7-9(2)10-8-11/h8-9H,3-
    7H2,1-2H3,(H,10,11)/t9-/m
    1/s1;
    YWFHDUFNGSJLTL-SECBINFHSA-N    		 O=CNC(CCCCCC)C; CCCCCCC(C)NC=O; CCCCCC[C
    H](C)NC=O; CCCCCC[C@@H](C)NC=O    		 1-METHYLHEPTYLFORMAMIDE;
    N-1-METHYLHEPTYLFORMAMIDE
    21327 FY0
    ZINC000098208909    		 0 C12 H16 N O7 P InChI=1S/C12H16NO7P/c1-13
    -11(14)7-9(12(15)16)6-8-2
    -4-10(5-3-8)20-21(17,18)1
    9/h2-5,9H,6-7H2,1H3,(H,13
    ,14)(H,15,16)(H2,17,18,19
    )/t9-/m0/s1;
    IDTVHJPHANVLIO-VIFPVBQESA-N    		 CNC(=O)C[C@H](Cc1ccc(cc1)OP(=O)(O)O)C(=O
    )O; CNC(=O)C[CH](Cc1ccc(O[P](O)(O)=O)cc1
    )C(O)=O; CNC(=O)C[C@H](Cc1ccc(O[P](O)(O)
    =O)cc1)C(O)=O; CNC(=O)CC(Cc1ccc(cc1)OP(=
    O)(O)O)C(=O)O    		 (2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoic acid
    21328 FY1 4 C16 H14 Br2 N2 O5 InChI=1S/C16H14Br2N2O5/c1
    -24-9-25-15-10(6-11(17)7-
    13(15)18)8-19-16(21)12-4-
    2-3-5-14(12)20(22)23/h2-7
    H,8-9H2,1H3,(H,19,21);
    ZLGSUAWZOLKSNW-UHFFFAOYSA-N    		 COCOc1c(cc(cc1Br)Br)CNC(=O)c2ccccc2[N+](
    =O)[O-]; [N+]([O-])(c1c(cccc1)C(NCc2c(c(
    Br)cc(c2)Br)OCOC)=O)=O; COCOc1c(Br)cc(Br
    )cc1CNC(=O)c2ccccc2[N+]([O-])=O    		 N-{[3,5-dibromo-2-(methoxymethoxy)phenyl]methyl}-2-nitrobenzamide
    21329 FY2
    ZINC000066325533    		 0 C9 H9 F2 N O3 InChI=1S/C9H9F2NO3/c10-7-
    4(3-5(12)9(14)15)1-2-6(13
    )8(7)11/h1-2,5,13H,3,12H2
    ,(H,14,15)/t5-/m0/s1;
    XWNMQLVJIYFCFZ-YFKPBYRVSA-N    		 N[C@@H](Cc1ccc(O)c(F)c1F)C(O)=O; c1cc(c(
    c(c1C[C@@H](C(=O)O)N)F)F)O; c1cc(c(c(c1C
    C(C(=O)O)N)F)F)O; N[CH](Cc1ccc(O)c(F)c1F
    )C(O)=O; NC(Cc1c(c(F)c(O)cc1)F)C(=O)O    		 2,3-difluoro-L-tyrosine
    21330 FY3 0 C9 H8 F3 N O3 InChI=1S/C9H8F3NO3/c10-4-
    1-3(2-5(13)9(15)16)6(11)7
    (12)8(4)14/h1,5,14H,2,13H
    2,(H,15,16)/t5-/m0/s1;
    AUJOGVIKYBGMRE-YFKPBYRVSA-N    		 N[CH](Cc1cc(F)c(O)c(F)c1F)C(O)=O; NC(C(=
    O)O)Cc1cc(F)c(c(c1F)F)O; N[C@@H](Cc1cc(F
    )c(O)c(F)c1F)C(O)=O; c1c(c(c(c(c1F)O)F)F
    )CC(C(=O)O)N; c1c(c(c(c(c1F)O)F)F)C[C@@H
    ](C(=O)O)N    		 2,3,5-trifluoro-L-tyrosine
    21331 FY4 4 C21 H13 Br2 Cl N2 O5 InChI=1S/C21H13Br2ClN2O5/
    c22-14-9-13(11-25-20(27)1
    6-3-1-2-4-18(16)26(29)30)
    19(17(23)10-14)31-21(28)1
    2-5-7-15(24)8-6-12/h1-10H
    ,11H2,(H,25,27);
    ZGBRPLXRTPRBNE-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br
    )c2OC(=O)c3ccc(Cl)cc3; c1(c(Br)cc(cc1CNC
    (c2ccccc2[N+](=O)[O-])=O)Br)OC(c3ccc(Cl)
    cc3)=O; c1ccc(c(c1)C(=O)NCc2cc(cc(c2OC(=
    O)c3ccc(cc3)Cl)Br)Br)[N+](=O)[O-]    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 4-chlorobenzoate
    21332 FY5
    ZINC000003830788    		 6 C18 H22 O5 S InChI=1S/C18H22O5S/c1-18-
    9-8-14-13-5-3-12(23-24(20
    ,21)22)10-11(13)2-4-15(14
    )16(18)6-7-17(18)19/h3,5,
    10,14-16H,2,4,6-9H2,1H3,(
    H,20,21,22)/t14-,15-,16-,
    18-/m0/s1;
    JKKFKPJIXZFSSB-OVWQWFNUSA-N    		 C[C]12CC[CH]3[CH](CCc4cc(O[S](O)(=O)=O)c
    cc34)[CH]1CCC2=O; C[C@]12CC[C@H]3c4ccc(c
    c4CC[C@@H]3[C@@H]1CCC2=O)OS(=O)(=O)O; CC
    12CCC3c4ccc(cc4CCC3C1CCC2=O)OS(=O)(=O)O;
    C[C@]12CC[C@@H]3[C@H](CCc4cc(O[S](O)(=O
    )=O)ccc34)[C@@H]1CCC2=O    		 estrone 3-sulfate
    21333 FY6 2 C14 H17 Cl N2 O InChI=1S/C14H17ClN2O/c1-1
    1(18)14-16-8-10-17(14)9-2
    -3-12-4-6-13(15)7-5-12/h4
    -8,10-11,18H,2-3,9H2,1H3/
    t11-/m0/s1;
    GGDYLOWWOJETKU-NSHDSACASA-N    		 C[C@H](O)c1nccn1CCCc2ccc(Cl)cc2; C[C@@H]
    (c1nccn1CCCc2ccc(cc2)Cl)O; CC(c1nccn1CCC
    c2ccc(cc2)Cl)O; C[CH](O)c1nccn1CCCc2ccc(
    Cl)cc2    		 (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
    21334 FY7 2 C22 H13 Br2 N3 O5 InChI=1S/C22H13Br2N3O5/c2
    3-15-9-14(12-26-21(28)17-
    7-3-4-8-19(17)27(30)31)20
    (18(24)10-15)32-22(29)16-
    6-2-1-5-13(16)11-25/h1-10
    H,12H2,(H,26,28);
    PYKOCDMESJAHAB-UHFFFAOYSA-N    		 [O-][N+](=O)c1ccccc1C(=O)NCc2cc(Br)cc(Br
    )c2OC(=O)c3ccccc3C#N; c1ccc(c(c1)C#N)C(=
    O)Oc2c(cc(cc2Br)Br)CNC(=O)c3ccccc3[N+](=
    O)[O-]; c1cc(c(cc1)C#N)C(=O)Oc2c(cc(cc2C
    NC(c3c(cccc3)[N+](=O)[O-])=O)Br)Br    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-cyanobenzoate
    21335 FY8
    ZINC000032625197    		 4 C12 H15 Cl N2 O2 InChI=1S/C12H15ClN2O2/c13
    -9-1-2-11(16)10(7-9)15-12
    (17)8-3-5-14-6-4-8/h1-2,7
    -8,14,16H,3-6H2,(H,15,17);
    GIWLSSKLZAAODK-UHFFFAOYSA-N    		 c1cc(c(cc1Cl)NC(=O)C2CCNCC2)O; Oc1ccc(Cl
    )cc1NC(=O)C2CCNCC2    		 N-(5-chloranyl-2-oxidanyl-phenyl)piperidine-4-carboxamide
    21336 FY9
    CHEMBL4756867    		 1 C26 H32 N2 O5 S InChI=1S/C26H32N2O5S/c1-3
    4(32,33)18-24(30)25(27)26
    (31)28-14-12-22(13-15-28)
    16-21-8-4-19(5-9-21)2-3-2
    0-6-10-23(17-29)11-7-20/h
    4-11,22,24-25,29-30H,12-1
    8,27H2,1H3/t24-,25+/m0/s1;
    RNBZGRMVKCFVJP-LOSJGSFVSA-N    		 CS(=O)(=O)CC(C(C(=O)N1CCC(CC1)Cc2ccc(cc2
    )C#Cc3ccc(cc3)CO)N)O; CS(=O)(=O)C[C@@H](
    [C@H](C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc
    (cc3)CO)N)O; C[S](=O)(=O)C[CH](O)[CH](N)
    C(=O)N1CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc
    3; C[S](=O)(=O)C[C@H](O)[C@@H](N)C(=O)N1
    CCC(CC1)Cc2ccc(cc2)C#Cc3ccc(CO)cc3    		 (2R,3R)-2-azanyl-1-[4-[[4-[2-[4-(hydroxymethyl)phenyl]ethynyl]phenyl]methyl]piperidin-1-yl]-4-methylsulfonyl-3-oxidanyl-butan-1-one
    21337 FYA
    ZINC000015286878    		 2 C19 H25 N6 O7 P InChI=1S/C19H25N6O7P/c20-
    12(6-11-4-2-1-3-5-11)7-30
    -33(28,29)31-8-13-15(26)1
    6(27)19(32-13)25-10-24-14
    -17(21)22-9-23-18(14)25/h
    1-5,9-10,12-13,15-16,19,2
    6-27H,6-8,20H2,(H,28,29)(
    H2,21,22,23)/t12-,13+,15+
    ,16+,19+/m0/s1;
    XNEAAYNJQROQFE-BPAMBQHCSA-N    		 N[C@H](CO[P@](O)(=O)OC[C@H]1O[C@H]([C@H]
    (O)[C@@H]1O)n2cnc3c(N)ncnc23)Cc4ccccc4;
    O=P(O)(OCC(N)Cc1ccccc1)OCC4OC(n3cnc2c(nc
    nc23)N)C(O)C4O; c1ccc(cc1)C[C@@H](CO[P@@
    ](=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n
    3cnc4c3ncnc4N)O)O)N; c1ccc(cc1)CC(COP(=O
    )(O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)N; N
    [CH](CO[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH
    ]1O)n2cnc3c(N)ncnc23)Cc4ccccc4    		 ADENOSINE-5'-[PHENYLALANINOL-PHOSPHATE]
    21338 FYB
    CHEMBL3989220    		 6 C17 H16 F3 N O4 InChI=1S/C17H16F3NO4/c18-
    10-1-2-13-11(7-10)12(22)8
    -14(25-13)15(23)21-9-16(2
    4)3-5-17(19,20)6-4-16/h1-
    2,7-8,24H,3-6,9H2,(H,21,2
    3);
    PJBRCGHQNUWERQ-UHFFFAOYSA-N    		 OC1(CCC(F)(F)CC1)CNC(=O)C2=CC(=O)c3cc(F)
    ccc3O2; C1C(F)(CCC(C1)(CNC(C=2Oc3ccc(F)c
    c3C(C=2)=O)=O)O)F; c1cc2c(cc1F)C(=O)C=C(
    O2)C(=O)NCC3(CCC(CC3)(F)F)O    		 ~{N}-[[4,4-bis(fluoranyl)-1-oxidanyl-cyclohexyl]methyl]-6-fluoranyl-4-oxidanylidene-chromene-2-carboxamide
    21339 FYC
    CHEMBL4591890
    ZINC000263620752    		 4 C18 H16 F N3 O2 InChI=1S/C18H16FN3O2/c1-1
    1(8-13-4-2-3-5-14(13)19)1
    7(23)20-10-12-6-7-15-16(9
    -12)22-18(24)21-15/h2-9H,
    10H2,1H3,(H,20,23)(H2,21,
    22,24)/b11-8+;
    MNPHMLQQNDWSRS-DHZHZOJOSA-N    		 CC(=Cc1ccccc1F)C(=O)NCc2ccc3c(c2)NC(=O)N
    3; C/C(=C\c1ccccc1F)/C(=O)NCc2ccc3c(c2)N
    C(=O)N3; CC(=C\c1ccccc1F)/C(=O)NCc2ccc3N
    C(=O)Nc3c2; CC(=Cc1ccccc1F)C(=O)NCc2ccc3
    NC(=O)Nc3c2    		 3-(2-fluorophenyl)-2-methyl-N-((2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)methyl)acrylamide
    21340 FYD 12 C22 H16 Br2 N2 O6 InChI=1S/C22H16Br2N2O6/c1
    -31-19-9-5-3-7-16(19)22(2
    8)32-20-13(10-14(23)11-17
    (20)24)12-25-21(27)15-6-2
    -4-8-18(15)26(29)30/h2-11
    H,12H2,1H3,(H,25,27);
    UJZBVAOLSMKIHH-UHFFFAOYSA-N    		 C(c1ccccc1OC)(Oc3c(CNC(=O)c2ccccc2[N+]([
    O-])=O)cc(cc3Br)Br)=O; COc1ccccc1C(=O)Oc
    2c(Br)cc(Br)cc2CNC(=O)c3ccccc3[N+]([O-])
    =O; COc1ccccc1C(=O)Oc2c(cc(cc2Br)Br)CNC(
    =O)c3ccccc3[N+](=O)[O-]    		 2,4-dibromo-6-{[(2-nitrobenzene-1-carbonyl)amino]methyl}phenyl 2-methoxybenzoate
    21341 FYE 2 C17 H18 F N O4 InChI=1S/C17H18FNO4/c18-1
    1-4-5-14-12(8-11)13(20)9-
    15(23-14)16(21)19-10-17(2
    2)6-2-1-3-7-17/h4-5,8-9,2
    2H,1-3,6-7,10H2,(H,19,21);
    PHMBHONIMDVOKO-UHFFFAOYSA-N    		 c1cc2c(cc1F)C(=O)C=C(O2)C(=O)NCC3(CCCCC3
    )O; OC1(CCCCC1)CNC(=O)C2=CC(=O)c3cc(F)cc
    c3O2    		 6-fluoranyl-~{N}-[(1-oxidanylcyclohexyl)methyl]-4-oxidanylidene-chromene-2-carboxamide
    21342 FYF 2 C15 H15 N3 O2 InChI=1S/C15H15N3O2/c1-11
    (19)15-16-7-8-18(15)10-13
    -9-14(20-17-13)12-5-3-2-4
    -6-12/h2-9,11,19H,10H2,1H
    3/t11-/m0/s1;
    AFOXOGZPNJAOMI-NSHDSACASA-N    		 C[C@H](O)c1nccn1Cc2cc(on2)c3ccccc3; CC(c
    1nccn1Cc2cc(on2)c3ccccc3)O; C[CH](O)c1nc
    cn1Cc2cc(on2)c3ccccc3; C[C@@H](c1nccn1Cc
    2cc(on2)c3ccccc3)O    		 (1S)-1-[1-[(5-phenyl-1,2-oxazol-3-yl)methyl]imidazol-2-yl]ethanol
    21343 FYG
    CHEMBL1689063
    DB09060
    ZINC000009302239    		 3 C7 H11 N3 O6 S InChI=1S/C7H11N3O6S/c8-6(
    11)5-2-1-4-3-9(5)7(12)10(
    4)16-17(13,14)15/h4-5H,1-
    3H2,(H2,8,11)(H,13,14,15)
    /t4-,5+/m1/s1;
    NDCUAPJVLWFHHB-UHNVWZDZSA-N    		 C(N)(C1CCC2CN1C(N2OS(=O)(O)=O)=O)=O; C1C
    C(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)N; C1C[C@
    H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)N;
    NC(=O)[CH]1CC[CH]2C[N]1C(=O)N2O[S](O)(=O
    )=O; NC(=O)[C@@H]1CC[C@@H]2C[N@]1C(=O)N2
    O[S](O)(=O)=O    		 (2S,5R)-7-oxo-6-(sulfooxy)-1,6-diazabicyclo[3.2.1]octane-2-carboxamide;
    Avibactam
    21344 FYH
    CHEMBL4217428    		 1 C19 H19 F3 N2 O3 InChI=1S/C19H19F3N2O3/c20
    -19(21,22)27-17-6-4-16(5-
    7-17)23-18(25)15-3-1-2-14
    (12-15)13-24-8-10-26-11-9
    -24/h1-7,12H,8-11,13H2,(H
    ,23,25);
    MYWULUKAXYAFSH-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)Nc2ccc(cc2)OC(F)(F)F)CN3
    CCOCC3; FC(F)(F)Oc1ccc(NC(=O)c2cccc(CN3C
    COCC3)c2)cc1    		 3-(morpholin-4-ylmethyl)-~{N}-[4-(trifluoromethyloxy)phenyl]benzamide
    21345 FYI
    ZINC000098208910    		 1 C22 H34 N5 O9 P InChI=1S/C22H34N5O9P/c1-4
    -12(2)19(22(32)26-16(20(2
    4)30)11-17(23)28)27-21(31
    )14(10-18(29)25-3)9-13-5-
    7-15(8-6-13)36-37(33,34)3
    5/h5-8,12,14,16,19H,4,9-1
    1H2,1-3H3,(H2,23,28)(H2,2
    4,30)(H,25,29)(H,26,32)(H
    ,27,31)(H2,33,34,35)/t12-
    ,14-,16-,19-/m0/s1;
    UEYBGJJDTRNDGF-HAHWVIBASA-N    		 CCC(C)C(C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C(C
    c1ccc(cc1)OP(=O)(O)O)CC(=O)NC; CC[C@H](C
    )[C@H](NC(=O)[C@H](CC(=O)NC)Cc1ccc(O[P](
    O)(O)=O)cc1)C(=O)N[C@@H](CC(N)=O)C(N)=O;
    CC[CH](C)[CH](NC(=O)[CH](CC(=O)NC)Cc1cc
    c(O[P](O)(O)=O)cc1)C(=O)N[CH](CC(N)=O)C(
    N)=O; CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=
    O)N)C(=O)N)NC(=O)[C@@H](Cc1ccc(cc1)OP(=O
    )(O)O)CC(=O)NC; O=C(N)C(NC(=O)C(NC(=O)C(
    CC(=O)NC)Cc1ccc(OP(=O)(O)O)cc1)C(C)CC)CC
    (=O)N    		 N-{(2S)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-isoleucyl-L-aspartamide
    21346 FYJ
    ZINC000013523496    		 12 C12 H14 O6 S InChI=1S/C12H14O6S/c13-7-
    8(14)10(11(16)17)18-12(9(
    7)15)19-6-4-2-1-3-5-6/h1-
    5,7-10,12-15H,(H,16,17)/t
    7-,8-,9+,10-,12-/m0/s1;
    XXJOOMMTHULGSD-LIJGXYGRSA-N    		 c1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@@H]([C@
    H](O2)C(=O)O)O)O)O; c1ccc(cc1)SC2C(C(C(C
    (O2)C(=O)O)O)O)O; C(C1OC(C(C(C1O)O)O)Sc2
    ccccc2)(=O)O; O[C@@H]1[C@@H](O)[C@@H](O[
    C@@H]([C@H]1O)C(O)=O)Sc2ccccc2; O[CH]1[C
    H](O)[CH](O[CH]([CH]1O)C(O)=O)Sc2ccccc2    		 phenyl 1-thio-beta-D-glucopyranosiduronic acid;
    phenyl 1-thio-beta-D-glucosiduronic acid;
    phenyl 1-thio-D-glucosiduronic acid;
    phenyl 1-thio-glucosiduronic acid
    21347 FYK
    CHEMBL4061542    		 5 C13 H12 Cl N O5 InChI=1S/C13H12ClNO5/c14-
    8-5-9-11(6-10(8)19-7-1-2-
    7)20-13(18)15(9)4-3-12(16
    )17/h5-7H,1-4H2,(H,16,17);
    AYXQPTCYJAJHBG-UHFFFAOYSA-N    		 OC(=O)CCN1C(=O)Oc2cc(OC3CC3)c(Cl)cc12; c
    1c2c(cc(c1Cl)OC3CC3)OC(=O)N2CCC(=O)O    		 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid
    21348 FYL
    CHEMBL4747965    		 1 C21 H24 N4 O5 InChI=1S/C21H24N4O5/c1-15
    (28)20-23-8-9-25(20)11-17
    -10-19(30-24-17)7-4-16-2-
    5-18(6-3-16)29-14-21(22,1
    2-26)13-27/h2-3,5-6,8-10,
    15,26-28H,11-14,22H2,1H3/
    t15-/m0/s1;
    DKGUWMFQYQOPSO-HNNXBMFYSA-N    		 CC(c1nccn1Cc2cc(on2)C#Cc3ccc(cc3)OCC(CO)
    (CO)N)O; C[C@@H](c1nccn1Cc2cc(on2)C#Cc3c
    cc(cc3)OCC(CO)(CO)N)O; C[CH](O)c1nccn1Cc
    2cc(on2)C#Cc3ccc(OCC(N)(CO)CO)cc3; C[C@H
    ](O)c1nccn1Cc2cc(on2)C#Cc3ccc(OCC(N)(CO)
    CO)cc3    		 2-azanyl-2-[[4-[2-[3-[[2-[(1S)-1-oxidanylethyl]imidazol-1-yl]methyl]-1,2-oxazol-5-yl]ethynyl]phenoxy]methyl]propane-1,3-diol
    21349 FYM
    ZINC000095921392    		 4 C27 H28 N2 O7 InChI=1S/C27H28N2O7/c1-29
    (14-18-5-4-6-22(34-3)25(1
    8)27(31)32)15-19-11-23-24
    (36-16-35-23)12-21(19)26(
    30)28-13-17-7-9-20(33-2)1
    0-8-17/h4-12H,13-16H2,1-3
    H3,(H,28,30)(H,31,32);
    ROSKQERDRZMWLB-UHFFFAOYSA-N    		 COc1ccc(CNC(=O)c2cc3OCOc3cc2CN(C)Cc4cccc
    (OC)c4C(O)=O)cc1; O=C(O)c1c(OC)cccc1CN(C
    )Cc2c(cc3OCOc3c2)C(=O)NCc4ccc(OC)cc4; CN
    (Cc1cccc(c1C(=O)O)OC)Cc2cc3c(cc2C(=O)NCc
    4ccc(cc4)OC)OCO3    		 2-methoxy-6-[[[6-[(4-methoxyphenyl)methylcarbamoyl]-1,3-benzodioxol-5-yl]methyl-methyl-amino]methyl]benzoic acid
    21350 FYN
    ZINC000008551237    		 13 C22 H36 N7 O17 P3 S InChI=1S/C22H36N7O17P3S/c
    1-22(2,17(33)20(34)25-4-3
    -13(31)24-5-6-50-11-30)8-
    43-49(40,41)46-48(38,39)4
    2-7-12-16(45-47(35,36)37)
    15(32)21(44-12)29-10-28-1
    4-18(23)26-9-27-19(14)29/
    h9-12,15-17,21,32-33H,3-8
    H2,1-2H3,(H,24,31)(H,25,3
    4)(H,38,39)(H,40,41)(H2,2
    3,26,27)(H2,35,36,37)/t12
    -,15-,16-,17+,21-/m1/s1;
    SXMOKYXNAPLNCW-GORZOVPNSA-N    		 CC(C)(CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH
    ]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncn
    c23)[CH](O)C(=O)NCCC(=O)NCCSC=O; CC(C)(C
    O[P@](=O)(O)O[P@](=O)(O)OC[C@@H]1[C@H]([
    C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)OP(=O)(O
    )O)[C@H](C(=O)NCCC(=O)NCCSC=O)O; CC(C)(C
    OP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2n
    cnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC=
    O)O; CC(C)(CO[P@@](O)(=O)O[P@@](O)(=O)OC
    [C@H]1O[C@H]([C@H](O)[C@@H]1O[P](O)(O)=O
    )n2cnc3c(N)ncnc23)[C@@H](O)C(=O)NCCC(=O)
    NCCSC=O; O=CSCCNC(=O)CCNC(=O)C(O)C(C)(C)
    COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12
    )N)C(O)C3OP(=O)(O)O
    21351 FYO
    ZINC000103542206    		 2 C13 H8 N6 O3 InChI=1S/C13H8N6O3/c14-5-
    8-1-6(2-9(20)15-8)12-17-1
    3(19-18-12)7-3-10(21)16-1
    1(22)4-7/h1-3H,4H2,(H,15,
    20)(H,16,21,22)(H,17,18,1
    9);
    YUNURAZDMHEFGV-UHFFFAOYSA-N    		 C1C(=CC(=O)NC1=O)c2[nH]nc(n2)C3=CC(=O)NC
    (=C3)C#N; O=C3C=C(c1nc(nn1)C=2C=C(C#N)NC
    (=O)C=2)CC(=O)N3; O=C1CC(=CC(=O)N1)c2[nH
    ]nc(n2)C3=CC(=O)NC(=C3)C#N    		 4-[5-(2,6-dioxo-1,2,3,6-tetrahydropyridin-4-yl)-1H-1,2,4-triazol-3-yl]-6-oxo-1,6-dihydropyridine-2-carbonitrile
    21352 FYP
    CHEMBL407
    DB01205
    ZINC000000001464    		 16 C15 H14 F N3 O3 InChI=1S/C15H14FN3O3/c1-3
    -22-15(21)13-12-7-18(2)14
    (20)10-6-9(16)4-5-11(10)1
    9(12)8-17-13/h4-6,8H,3,7H
    2,1-2H3;
    OFBIFZUFASYYRE-UHFFFAOYSA-N    		 CCOC(=O)c1ncn2c1CN(C)C(=O)c3cc(F)ccc23;
    CCOC(c3c2CN(C(c1c(ccc(c1)F)n2cn3)=O)C)=O
    ; CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)
    C)F    		 ethyl 8-fluoro-5-methyl-6-oxo-5,6-dihydro-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;
    Flumazenil
    21353 FYQ
    ZINC000044670781    		 2 C21 H31 N6 O10 P InChI=1S/C21H31N6O10P/c1-
    25-18(30)9-12(8-11-2-4-13
    (5-3-11)37-38(34,35)36)20
    (32)26-14(6-7-16(22)28)21
    (33)27-15(19(24)31)10-17(
    23)29/h2-5,12,14-15H,6-10
    H2,1H3,(H2,22,28)(H2,23,2
    9)(H2,24,31)(H,25,30)(H,2
    6,32)(H,27,33)(H2,34,35,3
    6)/t12-,14+,15+/m1/s1;
    KWOJJSIJYPOAJI-SNPRPXQTSA-N    		 CNC(=O)C[C@@H](Cc1ccc(O[P](O)(O)=O)cc1)C
    (=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=
    O)C(N)=O; CNC(=O)C[C@@H](Cc1ccc(cc1)OP(=
    O)(O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H
    ](CC(=O)N)C(=O)N; CNC(=O)C[CH](Cc1ccc(O[
    P](O)(O)=O)cc1)C(=O)N[CH](CCC(N)=O)C(=O)
    N[CH](CC(N)=O)C(N)=O; CNC(=O)CC(Cc1ccc(c
    c1)OP(=O)(O)O)C(=O)NC(CCC(=O)N)C(=O)NC(C
    C(=O)N)C(=O)N    		 N~2~-{(2R)-4-(methylamino)-4-oxo-2-[4-(phosphonooxy)benzyl]butanoyl}-L-glutaminyl-L-aspartamide
    21354 FYR
    CHEMBL475848
    ZINC000039194529    		 1 C13 H10 O3 InChI=1S/C13H10O3/c14-12-
    8-10(6-7-11(12)13(15)16)9
    -4-2-1-3-5-9/h1-8,14H,(H,
    15,16);
    IDXMMAOAJXZWSS-UHFFFAOYSA-N    		 OC(=O)c1ccc(cc1O)c2ccccc2; c1ccc(cc1)c2c
    cc(c(c2)O)C(=O)O    		 2-oxidanyl-4-phenyl-benzoic acid
    21355 FYS 2 C22 H22 O3 InChI=1S/C22H22O3/c1-2-21
    (15-3-9-18(23)10-4-15)22(
    16-5-11-19(24)12-6-16)17-
    7-13-20(25)14-8-17/h3-14,
    21-25H,2H2,1H3/t21-/m0/s1;
    UXOAPYKBADUIAI-NRFANRHFSA-N    		 CC[CH](C(c1ccc(O)cc1)c2ccc(O)cc2)c3ccc(O
    )cc3; CC[C@H](C(c1ccc(O)cc1)c2ccc(O)cc2)
    c3ccc(O)cc3; CCC(c1ccc(O)cc1)C(c2ccc(O)c
    c2)c3ccc(cc3)O; CC[C@@H](c1ccc(cc1)O)C(c
    2ccc(cc2)O)c3ccc(cc3)O; CCC(c1ccc(cc1)O)
    C(c2ccc(cc2)O)c3ccc(cc3)O    		 4,4',4''-[(2R)-butane-1,1,2-triyl]triphenol
    21356 FYU
    ZINC000000434270    		 4 C5 H4 N2 O3 InChI=1S/C5H4N2O3/c8-2-3-
    1-6-5(10)7-4(3)9/h1-2H,(H
    2,6,7,9,10);
    OHAMXGZMZZWRCA-UHFFFAOYSA-N    		 N1C(NC(C(=C1)C=O)=O)=O; O=CC1=CNC(=O)NC1
    =O; C1=C(C(=O)NC(=O)N1)C=O    		 2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde;
    5-formyluracil
    21357 FYV
    CHEMBL1240591
    ZINC000042827388    		 1 C11 H8 N4 InChI=1S/C11H8N4/c1-2-11-
    13-8-10(15(11)14-5-1)9-3-
    6-12-7-4-9/h1-8H;
    JVTKTZKSPATBCI-UHFFFAOYSA-N    		 c1cnn2c(c1)ncc2c3ccncc3; c1cc2ncc(n2nc1)
    c3ccncc3; c1cc(ccn1)c2n3c(nc2)cccn3    		 3-(pyridin-4-yl)imidazo[1,2-b]pyridazine
    21358 FYW
    CHEMBL4115154    		 2 C21 H18 F3 N5 O3 InChI=1S/C21H18F3N5O3/c22
    -21(23,24)32-17-3-1-15(2-
    4-17)28-20(31)13-7-18(14-
    8-25-12-26-9-14)19(27-10-
    13)29-6-5-16(30)11-29/h1-
    4,7-10,12,16,30H,5-6,11H2
    ,(H,28,31)/t16-/m1/s1;
    LARFZNXVNANWFD-MRXNPFEDSA-N    		 c1cc(ccc1NC(=O)c2cc(c(nc2)N3CCC(C3)O)c4c
    ncnc4)OC(F)(F)F; O[CH]1CCN(C1)c2ncc(cc2c
    3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4; c1cc(
    ccc1NC(=O)c2cc(c(nc2)N3CC[C@H](C3)O)c4cn
    cnc4)OC(F)(F)F; O[C@@H]1CCN(C1)c2ncc(cc2
    c3cncnc3)C(=O)Nc4ccc(OC(F)(F)F)cc4    		 6-[(3~{R})-3-oxidanylpyrrolidin-1-yl]-5-pyrimidin-5-yl-~{N}-[4-(trifluoromethyloxy)phenyl]pyridine-3-carboxamide
    21359 FYX
    CHEMBL1078685
    DB01685
    ZINC000013536586    		 2 C13 H8 N6 InChI=1S/C13H8N6/c14-8-11
    -7-10(3-6-16-11)13-17-12(
    18-19-13)9-1-4-15-5-2-9/h
    1-7H,(H,17,18,19);
    UBVZQGOVTLIHLH-UHFFFAOYSA-N    		 c1cnccc1c2[nH]nc(n2)c3ccnc(c3)C#N; N#Cc3
    nccc(c2nc(c1ccncc1)nn2)c3; N#Cc1cc(ccn1)
    c2n[nH]c(n2)c3ccncc3    		 4-(5-PYRIDIN-4-YL-1H-1,2,4-TRIAZOL-3-YL)PYRIDINE-2-CARBONITRILE;
    4-[5-PYRIDIN-4-YL-1H-[1,2,4]TRIAZOL-3-YL]-PYRIDINE-2-CARBONITRILE
    21360 FYY 2 C14 H15 B Br N O InChI=1S/C14H15BBrNO/c16-
    14-8-6-13(7-9-14)15(18-11
    -10-17)12-4-2-1-3-5-12/h1
    -9H,10-11,17H2;
    WVCHSOYKLDCILQ-UHFFFAOYSA-N    		 B(c1ccccc1)(c2ccc(cc2)Br)OCCN; NCCOB(c1c
    cccc1)c2ccc(Br)cc2; B(c1ccc(Br)cc1)(c2cc
    ccc2)OCCN    		 2-aminoethyl (4-bromophenyl)phenylborinate
    21361 FYZ
    ZINC000098208911    		 4 C21 H22 O6 InChI=1S/C21H22O6/c22-13-
    17-18(23)19(24)20(25)21(2
    7-17)26-12-4-5-14-8-10-16
    (11-9-14)15-6-2-1-3-7-15/
    h1-3,6-11,17-25H,12-13H2/
    t17-,18-,19+,20+,21+/m1/s
    1;
    UEPMXFZVTJIHES-MJCUULBUSA-N    		 OC[CH]1O[CH](OCC#Cc2ccc(cc2)c3ccccc3)[CH
    ](O)[CH](O)[CH]1O; OC[C@H]1O[C@H](OCC#Cc
    2ccc(cc2)c3ccccc3)[C@@H](O)[C@@H](O)[C@@
    H]1O; c1ccc(cc1)c2ccc(cc2)C#CCO[C@@H]3[C
    @H]([C@H]([C@@H]([C@H](O3)CO)O)O)O; C(#C
    c2ccc(c1ccccc1)cc2)COC3OC(C(O)C(O)C3O)CO
    ; c1ccc(cc1)c2ccc(cc2)C#CCOC3C(C(C(C(O3)
    CO)O)O)O    		 (2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[3-(4-phenylphenyl)prop-2-ynoxy]oxane-3,4,5-triol
    21362 FZ0
    CHEMBL4758755
    ZINC000019431283    		 2 C9 H9 F3 N2 O2 InChI=1S/C9H9F3N2O2/c10-9
    (11,12)16-7-3-1-2-6(4-7)1
    4-8(15)5-13/h1-4H,5,13H2,
    (H,14,15);
    BZQGZAVHPZXJBL-UHFFFAOYSA-N    		 c1cc(cc(c1)OC(F)(F)F)NC(=O)CN; NCC(=O)Nc
    1cccc(OC(F)(F)F)c1    		 2-azanyl-N-[3-(trifluoromethyloxy)phenyl]ethanamide
    21363 FZ1
    CHEMBL4079583
    ZINC000095921329    		 1 C24 H23 N5 O InChI=1S/C24H23N5O/c1-30-
    19-11-9-18(10-12-19)28-14
    -16-29(17-15-28)24-20-6-2
    -3-7-21(20)26-23(27-24)22
    -8-4-5-13-25-22/h2-13H,14
    -17H2,1H3;
    BNLATJNUBANGFF-UHFFFAOYSA-N    		 COc1ccc(cc1)N2CCN(CC2)c3nc(nc4ccccc34)c5
    ccccn5; n1c(nc4c(c1N3CCN(c2ccc(OC)cc2)CC
    3)cccc4)c5ncccc5; COc1ccc(cc1)N2CCN(CC2)
    c3c4ccccc4nc(n3)c5ccccn5    		 4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-(pyridin-2-yl)quinazoline
    21364 FZ3
    CHEMBL213493    		 1 C12 H13 Cl N2 InChI=1S/C12H13ClN2/c13-1
    2-5-3-11(4-6-12)2-1-8-15-
    9-7-14-10-15/h3-7,9-10H,1
    -2,8H2;
    CLJJKXWBLJQDDT-UHFFFAOYSA-N    		 c1cc(ccc1CCCn2ccnc2)Cl; Clc1ccc(CCCn2ccn
    c2)cc1    		 1-[3-(4-chlorophenyl)propyl]imidazole
    21365 FZ4
    CHEMBL169233
    ZINC000169743034    		 78 C14 H16 B N O InChI=1S/C14H16BNO/c16-11
    -12-17-15(13-7-3-1-4-8-13
    )14-9-5-2-6-10-14/h1-10H,
    11-12,16H2;
    BLZVCIGGICSWIG-UHFFFAOYSA-N    		 B(c1ccccc1)(c2ccccc2)OCCN; NCCOB(c1ccccc
    1)c2ccccc2    		 2-aminoethyl diphenylborinate
    21366 FZ5
    CHEMBL562562
    ZINC000084336642    		 1 C23 H28 O10 InChI=1S/C23H28O10/c1-11(
    25)19-13(5-3-12-4-6-15(27
    )17(9-12)31-2)14(26)7-8-1
    6(19)32-23-22(30)21(29)20
    (28)18(10-24)33-23/h4,6-9
    ,18,20-24,26-30H,3,5,10H2
    ,1-2H3/t18-,20-,21+,22-,2
    3-/m1/s1;
    YRCZOJOYJCLBDV-DODNOZFWSA-N    		 CC(=O)c1c(ccc(c1CCc2ccc(c(c2)OC)O)O)O[C@
    H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
    ; COc1cc(CCc2c(O)ccc(O[CH]3O[CH](CO)[CH]
    (O)[CH](O)[CH]3O)c2C(C)=O)ccc1O; COc1cc(
    CCc2c(O)ccc(O[C@@H]3O[C@H](CO)[C@@H](O)[
    C@H](O)[C@H]3O)c2C(C)=O)ccc1O; CC(=O)c1c
    (ccc(c1CCc2ccc(c(c2)OC)O)O)OC3C(C(C(C(O3
    )CO)O)O)O    		 Scorzodihydrostilbene A
    21367 FZ6
    CHEMBL4747065    		 2 C10 H11 F3 N2 O3 InChI=1S/C10H11F3N2O3/c11
    -10(12,13)18-7-3-1-2-6(4-
    7)15-9(17)8(14)5-16/h1-4,
    8,16H,5,14H2,(H,15,17)/t8
    -/m1/s1;
    QKKNXONMXNVCIX-MRVPVSSYSA-N    		 N[C@H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1; c1c
    c(cc(c1)OC(F)(F)F)NC(=O)[C@@H](CO)N; N[C
    H](CO)C(=O)Nc1cccc(OC(F)(F)F)c1; c1cc(cc
    (c1)OC(F)(F)F)NC(=O)C(CO)N    		 (2R)-2-azanyl-3-oxidanyl-N-[3-(trifluoromethyloxy)phenyl]propanamide
    21368 FZ8 1 C17 H17 N7 InChI=1S/C17H17N7/c1-2-4-
    14-13(3-1)21-15(22-14)11-
    5-7-24(8-6-11)17-12-9-20-
    23-16(12)18-10-19-17/h1-4
    ,9-11H,5-8H2,(H,21,22)(H,
    18,19,20,23);
    SAOVCWDCHHZCCL-UHFFFAOYSA-N    		 n1c(c2c(nc1)nnc2)N5CCC(c4nc3ccccc3n4)CC5
    ; c1ccc2c(c1)[nH]c(n2)C3CCN(CC3)c4c5cn[n
    H]c5ncn4; C1CN(CCC1c2[nH]c3ccccc3n2)c4nc
    nc5[nH]ncc45    		 4-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-1H-pyrazolo[3,4-d]pyrimidine
    21369 FZ9
    ZINC000012556526    		 1 C18 H16 N6 InChI=1S/C18H16N6/c1-2-4-
    16-13(3-1)14(9-19-16)12-5
    -7-24(8-6-12)18-15-10-22-
    23-17(15)20-11-21-18/h1-5
    ,9-11,19H,6-8H2,(H,20,21,
    22,23);
    QOXYIHCPHZOWJH-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c[nH]2)C3=CCN(CC3)c4c5cn[nH
    ]c5ncn4; C1CC(=CCN1c2ncnc3[nH]ncc23)c4c[
    nH]c5ccccc45; n1c(c2c(nc1)nnc2)N5CC=C(c4
    c3ccccc3nc4)CC5    		 4-[4-(1H-indol-3-yl)-3,6-dihydropyridin-1(2H)-yl]-1H-pyrazolo[3,4-d]pyrimidine
    21370 FZA
    CHEMBL4794748    		 3 C21 H21 N3 O3 InChI=1S/C21H21N3O3/c1-23
    -14-7-5-9-16(27-3)18(14)2
    1(25)24-11-10-12-17-13(22
    -19(12)20(23)24)6-4-8-15(
    17)26-2/h4-9,20,22H,10-11
    H2,1-3H3/t20-/m0/s1;
    FFAIVCGLKMKWII-FQEVSTJZSA-N    		 CN1c2cccc(c2C(=O)N3[C@H]1c4c(c5c([nH]4)c
    ccc5OC)CC3)OC; CN1c2cccc(c2C(=O)N3C1c4c(
    c5c([nH]4)cccc5OC)CC3)OC; c1ccc5c(c1OC)C
    (N4C(c2c(c3c(n2)cccc3OC)CC4)N5C)=O; COc1
    cccc2[nH]c3[C@H]4N(C)c5cccc(OC)c5C(=O)N4
    CCc3c12; COc1cccc2[nH]c3[CH]4N(C)c5cccc(
    OC)c5C(=O)N4CCc3c12    		 (13bS)-4,9-dimethoxy-14-methyl-8,13,13b,14-tetrahydroindolo[2',3':3,4]pyrido[2,1-b]quinazolin-5(7H)-one
    21371 FZB
    CHEMBL3586718
    ZINC000473134300    		 1 C17 H22 N4 O InChI=1S/C17H22N4O/c1-10-
    7-11-5-6-18-16(15(11)20-1
    7(10)22)19-12-8-13-3-4-14
    (9-12)21(13)2/h5-7,12-14H
    ,3-4,8-9H2,1-2H3,(H,18,19
    )(H,20,22)/t12-,13-,14+;
    HBGWEOSHQILMON-ZSOGYDGISA-N    		 CC1=Cc2ccnc(c2NC1=O)NC3CC4CCC(C3)N4C; CN
    1[CH]2CC[CH]1C[CH](C2)Nc3nccc4C=C(C)C(=O
    )Nc34; CC1=Cc2ccnc(c2NC1=O)NC3C[C@H]4CC[
    C@@H](C3)N4C; CN1[C@@H]2CC[C@H]1C[C@@H](
    C2)Nc3nccc4C=C(C)C(=O)Nc34    		 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one
    21372 FZC 1 C25 H26 Cl N5 O2 InChI=1S/C25H26ClN5O2/c1-
    14-8-9-28-25(29-14)33-19-
    6-7-20(21(26)13-19)16-10-
    22-24(15(2)30-31-22)23(11
    -16)32-18-5-3-4-17(27)12-
    18/h6-11,13,17-18H,3-5,12
    ,27H2,1-2H3,(H,30,31)/t17
    -,18+/m1/s1;
    NKDAXLGSBPGRHC-MSOLQXFVSA-N    		 Cc1ccnc(Oc2ccc(c(Cl)c2)c3cc4[nH]nc(C)c4c
    (O[C@H]5CCC[C@@H](N)C5)c3)n1; Cc1ccnc(n1
    )Oc2ccc(c(c2)Cl)c3cc4c(c(n[nH]4)C)c(c3)O
    [C@H]5CCC[C@H](C5)N; Cc1ccnc(Oc2ccc(c(Cl
    )c2)c3cc4[nH]nc(C)c4c(O[CH]5CCC[CH](N)C5
    )c3)n1; Cc1ccnc(n1)Oc2ccc(c(c2)Cl)c3cc4c
    (c(n[nH]4)C)c(c3)OC5CCCC(C5)N    		 (1~{R},3~{S})-3-[[6-[2-chloranyl-4-(4-methylpyrimidin-2-yl)oxy-phenyl]-3-methyl-1~{H}-indazol-4-yl]oxy]cyclohexan-1-amine
    21373 FZE
    CHEMBL4242484    		 1 C30 H37 F2 N5 O InChI=1S/C30H37F2N5O/c1-1
    7-11-20(15-33-14-17)24-16
    -34-28(27-23(24)12-18(2)2
    9(38)37-27)36-26-13-21-4-
    6-25(35-21)22(26)5-3-19-7
    -9-30(31,32)10-8-19/h11-1
    2,14-16,19,21-22,25-26,35
    H,3-10,13H2,1-2H3,(H,34,3
    6)(H,37,38)/t21-,22-,25+,
    26-/m1/s1;
    XSDXNVMLXLEGSP-ULDOEVFSSA-N    		 Cc1cncc(c1)c2cnc(N[CH]3C[CH]4CC[CH](N4)[
    CH]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc26)C;
    Cc1cncc(c1)c2cnc(N[C@@H]3C[C@H]4CC[C@H](
    N4)[C@H]3CCC5CCC(F)(F)CC5)c6NC(=O)C(=Cc2
    6)C; Cc1cc(cnc1)c2cnc(c3c2C=C(C(=O)N3)C)
    NC4CC5CCC(C4CCC6CCC(CC6)(F)F)N5; Cc1cc(c
    nc1)c2cnc(c3c2C=C(C(=O)N3)C)N[C@@H]4C[C@
    H]5CC[C@@H]([C@H]4CCC6CCC(CC6)(F)F)N5    		 8-(((1R,2R,3R,5S)-2-(2-(4,4-difluorocyclohexyl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one
    21374 FZF
    CHEMBL5092617    		 1 C25 H29 N7 O3 InChI=1S/C25H29N7O3/c1-34
    -20-13-16(24(33)32-9-11-3
    5-12-10-32)7-8-19(20)29-2
    5-30-22-21(17(14-26)15-27
    -22)23(31-25)28-18-5-3-2-
    4-6-18/h7-8,13,15,18H,2-6
    ,9-12H2,1H3,(H3,27,28,29,
    30,31);
    IOKQAXDJAARNRZ-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCCCC
    4)n2)C(=O)N5CCOCC5; COc1cc(ccc1Nc2nc3c(c
    (c[nH]3)C#N)c(n2)NC4CCCCC4)C(=O)N5CCOCC5    		 4-(cyclohexylamino)-2-[(2-methoxy-4-morpholin-4-ylcarbonyl-phenyl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    21375 FZH
    CHEMBL4246741    		 1 C30 H38 N4 O3 S InChI=1S/C30H38N4O3S/c1-1
    8-13-21(17-31-16-18)23-6-
    8-27(29-25(23)14-19(2)30(
    35)34-29)33-28-15-22-4-7-
    26(32-22)24(28)5-3-20-9-1
    1-38(36,37)12-10-20/h6,8,
    13-14,16-17,20,22,24,26,2
    8,32-33H,3-5,7,9-12,15H2,
    1-2H3,(H,34,35)/t22-,24-,
    26+,28-/m1/s1;
    RYLMNRNKGQACDG-PVRUFOIFSA-N    		 Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3)C)N[C@@
    H]4C[C@H]5CC[C@@H]([C@H]4CCC6CCS(=O)(=O)
    CC6)N5; Cc1cc(cnc1)c2ccc(c3c2C=C(C(=O)N3
    )C)NC4CC5CCC(C4CCC6CCS(=O)(=O)CC6)N5; Cc
    1cncc(c1)c2ccc(N[C@@H]3C[C@H]4CC[C@H](N4
    )[C@H]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)C(=C
    c26)C; Cc1cncc(c1)c2ccc(N[CH]3C[CH]4CC[C
    H](N4)[CH]3CCC5CC[S](=O)(=O)CC5)c6NC(=O)
    C(=Cc26)C    		 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one
    21376 FZI 3 C23 H38 N4 O10 S InChI=1S/C23H38N4O10S/c1-
    13(2)8-16(26-21(31)36-12-
    14-10-27(11-14)22(32)37-2
    3(3,4)5)19(29)25-17(20(30
    )38(33,34)35)9-15-6-7-24-
    18(15)28/h6-7,13-17,20,30
    H,8-12H2,1-5H3,(H,24,28)(
    H,25,29)(H,26,31)(H,33,34
    ,35)/t15-,16-,17-,20?/m0/
    s1;
    WDYXMIZDWOFVQK-HTCLRFROSA-N    		 CC(C)C[CH](NC(=O)OCC1CN(C1)C(=O)OC(C)(C)
    C)C(=O)N[CH](C[CH]2C=CNC2=O)[CH](O)[S](O
    )(=O)=O; CC(C)(C)OC(=O)N1CC(COC(=O)NC(CC
    (C)C)C(=O)NC(CC2C=CNC2=O)C(O)S(=O)(=O)O)
    C1; CC(C)C[C@H](NC(=O)OCC1CN(C1)C(=O)OC(
    C)(C)C)C(=O)N[C@@H](C[C@@H]2C=CNC2=O)[C@
    @H](O)[S](O)(=O)=O; CC(C)CC(C(=O)NC(CC1C
    =CNC1=O)C(O)S(=O)(=O)O)NC(=O)OCC2CN(C2)C
    (=O)OC(C)(C)C; CC(C)C[C@@H](C(=O)N[C@@H]
    (C[C@@H]1C=CNC1=O)[C@@H](O)S(=O)(=O)O)NC
    (=O)OCC2CN(C2)C(=O)OC(C)(C)C    		 (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid
    21377 FZJ
    CHEMBL4071021    		 1 C13 H13 N5 O2 InChI=1S/C13H13N5O2/c1-13
    (2)17-11(19)9-4-3-8(12(20
    )18(9)13)16-10-5-6-14-7-1
    5-10/h3-7H,1-2H3,(H,17,19
    )(H,14,15,16);
    YUDKTFUCCPOVGR-UHFFFAOYSA-N    		 c1nccc(n1)NC2=CC=C3C(=O)NC(N3C2=O)(C)C;
    CC1(NC(=O)C2=CC=C(C(=O)N21)Nc3ccncn3)C;
    CC1(C)NC(=O)C2=CC=C(Nc3ccncn3)C(=O)N12    		 3,3-dimethyl-6-[(pyrimidin-4-yl)amino]-2,3-dihydroimidazo[1,5-a]pyridine-1,5-dione
    21378 FZK 5 C12 H18 N4 O10 S InChI=1S/C12H18N4O10S/c13
    -5(3-17)10(21)15-27(23,24
    )25-4-6-8(19)9(20)11(26-6
    )16-2-1-7(18)14-12(16)22/
    h1-2,5-6,8-9,11,17,19-20H
    ,3-4,13H2,(H,15,21)(H,14,
    18,22)/t5-,6+,8+,9+,11+/m
    0/s1;
    QIOFKSOPWDKKDG-DANLAGSESA-N    		 N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([
    CH](O)[CH]1O)N2C=CC(=O)NC2=O; C1=CN(C(=O
    )NC1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)C(CO)
    N)O)O; N[C@@H](CO)C(=O)N[S](=O)(=O)OC[C@
    H]1O[C@H]([C@H](O)[C@@H]1O)N2C=CC(=O)NC2
    =O; C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]
    ([C@H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)
    O    		 5'-O-(N-(L-seryl)-Sulfamoyl)uridine
    21379 FZL
    CHEMBL5092060    		 1 C24 H27 N7 O2 InChI=1S/C24H27N7O2/c1-33
    -19-12-17(31-11-5-8-20(31
    )32)9-10-18(19)28-24-29-2
    2-21(15(13-25)14-26-22)23
    (30-24)27-16-6-3-2-4-7-16
    /h9-10,12,14,16H,2-8,11H2
    ,1H3,(H3,26,27,28,29,30);
    LOHMGKJWMIIPRA-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4
    CCCCC4)N5CCCC5=O; COc1cc(ccc1Nc2nc3[nH]c
    c(C#N)c3c(NC4CCCCC4)n2)N5CCCC5=O    		 4-(cyclohexylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    21380 FZM
    CHEMBL1380070
    ZINC000000241083    		 1 C12 H12 N2 InChI=1S/C12H12N2/c1-2-5-
    10(6-3-1)11-9-14-8-4-7-12
    (14)13-11/h1-3,5-6,9H,4,7
    -8H2;
    PPYLPCSLYXBQRM-UHFFFAOYSA-N    		 C1Cn2cc(nc2C1)c3ccccc3; c1cccc(c1)c2nc3n
    (c2)CCC3; c1ccc(cc1)c2cn3c(n2)CCC3    		 2-phenyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazole
    21381 FZN
    ZINC000098208912    		 0 C23 H37 N7 O15 P2 S InChI=1S/C23H37N7O15P2S/c
    1-10(26-5-3-2-4-11(24)22(
    35)36)48-23-18(34)16(32)1
    3(44-23)7-42-47(39,40)45-
    46(37,38)41-6-12-15(31)17
    (33)21(43-12)30-9-29-14-1
    9(25)27-8-28-20(14)30/h8-
    9,11-13,15-18,21,23,31-34
    H,2-7,24H2,1H3,(H,35,36)(
    H,37,38)(H,39,40)(H2,25,2
    7,28)/b26-10-/t11-,12+,13
    +,15+,16+,17+,18+,21+,23+
    /m0/s1;
    MURMPVFXCLHZCX-WVAZNDMKSA-N    		 CC(S[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC
    [CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc3
    4)[CH](O)[CH]1O)=NCCCC[CH](N)C(O)=O; C/C
    (=N/CCCC[C@@H](C(=O)O)N)/S[C@@H]1[C@@H](
    [C@@H]([C@H](O1)CO[P@@](=O)(O)O[P@](=O)(
    O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)n3cnc4c
    3ncnc4N)O)O)O)O; CC(S[C@H]1O[C@H](CO[P@]
    (O)(=O)O[P@@](O)(=O)OC[C@H]2O[C@H]([C@H]
    (O)[C@@H]2O)n3cnc4c(N)ncnc34)[C@@H](O)[C
    @H]1O)=NCCCC[C@H](N)C(O)=O; CC(=NCCCCC(C
    (=O)O)N)SC1C(C(C(O1)COP(=O)(O)OP(=O)(O)O
    CC2C(C(C(O2)n3cnc4c3ncnc4N)O)O)O)O; O=P(
    O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O
    )(O)OCC4OC(S\C(=N/CCCCC(C(=O)O)N)C)C(O)C
    4O    		 (2S)-2-amino-6-{[(1Z)-1-{[(2R,3R,4S,5R)-5-({[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxytetrahydrofuran-2-yl]sulfanyl}ethylidene]amino}hexanoic acid
    21382 FZO
    CHEMBL5088755    		 1 C23 H25 N7 O3 InChI=1S/C23H25N7O3/c1-32
    -18-11-16(30-8-2-3-19(30)
    31)4-5-17(18)27-23-28-21-
    20(14(12-24)13-25-21)22(2
    9-23)26-15-6-9-33-10-7-15
    /h4-5,11,13,15H,2-3,6-10H
    2,1H3,(H3,25,26,27,28,29);
    GWQWEYUZUSIHAO-UHFFFAOYSA-N    		 COc1cc(ccc1Nc2nc3[nH]cc(C#N)c3c(NC4CCOCC
    4)n2)N5CCCC5=O; COc1cc(ccc1Nc2nc3c(c(c[n
    H]3)C#N)c(n2)NC4CCOCC4)N5CCCC5=O    		 2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-4-(oxan-4-ylamino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    21383 FZP 1 C25 H24 F N7 O3 InChI=1S/C25H24FN7O3/c1-3
    -23(34)28-19-5-4-6-20(15-
    19)33(25(35)36-16-17-7-9-
    18(26)10-8-17)22-11-13-27
    -24(30-22)29-21-12-14-32(
    2)31-21/h4-15H,3,16H2,1-2
    H3,(H,28,34)(H,27,29,30,3
    1);
    RAWSYDZNFQZYFL-UHFFFAOYSA-N    		 CCC(=O)Nc1cccc(c1)N(c2ccnc(n2)Nc3ccn(n3)
    C)C(=O)OCc4ccc(cc4)F; CCC(=O)Nc1cccc(c1)
    N(C(=O)OCc2ccc(F)cc2)c3ccnc(Nc4ccn(C)n4)
    n3; c1(ccn(n1)C)Nc4nc(N(C(=O)OCc2ccc(F)c
    c2)c3cccc(c3)NC(CC)=O)ccn4    		 (4-fluorophenyl)methyl {2-[(1-methyl-1H-pyrazol-3-yl)amino]pyrimidin-4-yl}[3-(propanoylamino)phenyl]carbamate
    21384 FZQ 5 C12 H19 N5 O9 S InChI=1S/C12H19N5O9S/c13-
    5(3-18)10(21)16-27(23,24)
    25-4-6-8(19)9(20)11(26-6)
    17-2-1-7(14)15-12(17)22/h
    1-2,5-6,8-9,11,18-20H,3-4
    ,13H2,(H,16,21)(H2,14,15,
    22)/t5-,6+,8+,9+,11+/m0/s
    1;
    KLHALWQAANSHJB-DANLAGSESA-N    		 C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@
    H](O2)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O; N
    [C@@H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H
    ]([C@H](O)[C@@H]1O)N2C=CC(=NC2=O)N; C1=C
    N(C(=O)N=C1N)C2C(C(C(O2)COS(=O)(=O)NC(=O
    )C(CO)N)O)O; N[CH](CO)C(=O)N[S](=O)(=O)O
    C[CH]1O[CH]([CH](O)[CH]1O)N2C=CC(=NC2=O)
    N    		 5'-O-(N-(L-seryl)-sulfamoyl)cytidine
    21385 FZR
    CHEMBL5079268    		 1 C17 H20 N8 InChI=1S/C17H20N8/c1-25-1
    0-13(9-20-25)22-17-23-15-
    14(11(7-18)8-19-15)16(24-
    17)21-12-5-3-2-4-6-12/h8-
    10,12H,2-6H2,1H3,(H3,19,2
    1,22,23,24);
    KGMINTBDNKGRFK-UHFFFAOYSA-N    		 Cn1cc(cn1)Nc2nc3c(c(c[nH]3)C#N)c(n2)NC4C
    CCCC4; Cn1cc(Nc2nc3[nH]cc(C#N)c3c(NC4CCC
    CC4)n2)cn1    		 4-(cyclohexylamino)-2-[(1-methylpyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
    21386 FZS 6 C14 H17 N5 O5 S2 InChI=1S/C14H17N5O5S2/c1-
    6-4-25-12(18-9(6)13(22)23
    )7(3-20)16-11(21)10(19-24
    -2)8-5-26-14(15)17-8/h5,7
    ,12,20H,1,3-4H2,2H3,(H2,1
    5,17)(H,16,21)(H,22,23)/b
    19-10-/t7-,12+/m0/s1;
    BPQMPOALEVUCBW-FFHDXYSJSA-N    		 CO/N=C(/c1csc(n1)N)\C(=O)N[C@@H](CO)[C@@
    H]2N=C(C(=C)CS2)C(=O)O; CON=C(C(=O)N[CH]
    (CO)[CH]1SCC(=C)C(=N1)C(O)=O)c2csc(N)n2;
    CO\N=C(/C(=O)N[C@@H](CO)[C@H]1SCC(=C)C(
    =N1)C(O)=O)c2csc(N)n2; CON=C(c1csc(n1)N)
    C(=O)NC(CO)C2N=C(C(=C)CS2)C(=O)O; OCC(NC
    (\C(=N/OC)c1csc(N)n1)=O)C2N=C(C(O)=O)C(=
    C)/CS2    		 (2R)-2-[(1S)-1-{[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(methoxyimino)acetyl]amino}-2-hydroxyethyl]-5-methylidene-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid;
    Ceftriaxone open, bound form
    21387 FZT 5 C13 H20 N4 O10 S InChI=1S/C13H20N4O10S/c1-
    16-8(19)2-3-17(13(16)23)1
    2-10(21)9(20)7(27-12)5-26
    -28(24,25)15-11(22)6(14)4
    -18/h2-3,6-7,9-10,12,18,2
    0-21H,4-5,14H2,1H3,(H,15,
    22)/t6-,7+,9+,10+,12+/m0/
    s1;
    FDYLXUQGMZNPQQ-IXKMEIRJSA-N    		 CN1C(=O)C=CN([CH]2O[CH](CO[S](=O)(=O)NC(
    =O)[CH](N)CO)[CH](O)[CH]2O)C1=O; CN1C(=O
    )C=CN([C@@H]2O[C@H](CO[S](=O)(=O)NC(=O)[
    C@@H](N)CO)[C@@H](O)[C@H]2O)C1=O; CN1C(=
    O)C=CN(C1=O)C2C(C(C(O2)COS(=O)(=O)NC(=O)
    C(CO)N)O)O; CN1C(=O)C=CN(C1=O)[C@H]2[C@@
    H]([C@@H]([C@H](O2)COS(=O)(=O)NC(=O)[C@H
    ](CO)N)O)O    		 5'-O-(N-(L-seryl)-sulfamoyl)N3-methyluridine
    21388 FZU
    ZINC000000895384    		 1 C6 H12 O6 InChI=1S/C6H12O6/c7-2-6(1
    1)5(10)4(9)3(8)1-12-6/h3-
    5,7-11H,1-2H2/t3-,4+,5+,6
    +/m0/s1;
    LKDRXBCSQODPBY-SLPGGIOYSA-N    		 OC[C]1(O)OC[CH](O)[CH](O)[CH]1O; OC[C@@]
    1(O)OC[C@H](O)[C@@H](O)[C@H]1O; C1[C@@H]
    ([C@H]([C@H]([C@](O1)(CO)O)O)O)O; C1C(C(
    C(C(O1)(CO)O)O)O)O    		 (2R,3R,4R,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
    21389 FZV
    CHEMBL4635548    		 2 C30 H37 N3 O3 S InChI=1S/C30H37N3O3S/c1-3
    0(2,3)36-29(35)33-26(19-2
    3-11-6-4-7-12-23)22-37-27
    (20-24-13-8-5-9-14-24)28(
    34)32-18-16-25-15-10-17-3
    1-21-25/h4-15,17,21,26-27
    H,16,18-20,22H2,1-3H3,(H,
    32,34)(H,33,35)/t26-,27+/
    m0/s1;
    WMAJRQYZQMKYGY-RRPNLBNLSA-N    		 CC(C)(C)OC(=O)NC(Cc1ccccc1)CSC(Cc2ccccc2
    )C(=O)NCCc3cccnc3; CC(C)(C)OC(=O)N[C@@H]
    (Cc1ccccc1)CS[C@H](Cc2ccccc2)C(=O)NCCc3c
    ccnc3; CC(C)(C)OC(=O)N[C@H](CS[C@H](Cc1c
    cccc1)C(=O)NCCc2cccnc2)Cc3ccccc3; CC(C)(
    C)OC(=O)N[CH](CS[CH](Cc1ccccc1)C(=O)NCCc
    2cccnc2)Cc3ccccc3; CC(OC(=O)NC(CSC(C(=O)
    NCCc1cccnc1)Cc2ccccc2)Cc3ccccc3)(C)C    		 tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate
    21390 FZW 1 C28 H20 F3 N7 O InChI=1S/C28H20F3N7O/c1-1
    7-9-10-18(26(39)34-22-8-2
    -7-21(14-22)28(29,30)31)1
    3-23(17)35-27-37-24(19-5-
    3-11-32-15-19)36-25(38-27
    )20-6-4-12-33-16-20/h2-16
    H,1H3,(H,34,39)(H,35,36,3
    7,38);
    FQDJXKXBKFLPSH-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2nc(nc(n2)c3cccnc3)c4cccnc4)
    C(=O)Nc5cccc(c5)C(F)(F)F    		 3-[(4,6-dipyridin-3-yl-1,3,5-triazin-2-yl)amino]-4-methyl-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    21391 FZX
    CHEMBL352155
    ZINC000019941720    		 1 C11 H10 N2 O2 InChI=1S/C11H10N2O2/c14-1
    1(15)10-12-6-7-13(10)8-9-
    4-2-1-3-5-9/h1-7H,8H2,(H,
    14,15);
    QEEBXPXPYKOARL-UHFFFAOYSA-N    		 OC(=O)c1nccn1Cc2ccccc2; c1ccc(cc1)Cn2ccn
    c2C(=O)O    		 1-(phenylmethyl)imidazole-2-carboxylic acid
    21392 FZZ
    ZINC000230586059    		 7 C22 H29 N4 O9 P InChI=1S/C22H29N4O9P/c1-9
    -5-12-15-11(6-22(3,4)16(1
    5)10(9)2)23-17-19(24-21(3
    1)25-20(17)30)26(12)7-13(
    27)18(29)14(28)8-35-36(32
    ,33)34/h5,13-14,18,27-29H
    ,6-8H2,1-4H3,(H2,32,33,34
    )(H2,24,25,30,31)/t13-,14
    +,18-/m0/s1;
    VYQCRFJWAWALRP-IYOUNJFTSA-N    		 Cc1cc2c3c(c1C)C(CC3=NC4=C(N2C[C@@H]([C@@
    H]([C@@H](COP(=O)(O)O)O)O)O)N=C(NC4=O)O)
    (C)C; Cc1cc2c3c(c1C)C(CC3=NC4=C(N2CC(C(C
    (COP(=O)(O)O)O)O)O)N=C(NC4=O)O)(C)C; Cc1
    cc2N(C[C@H](O)[C@H](O)[C@H](O)CO[P](O)(O
    )=O)C3=C(N=C4CC(C)(C)c(c1C)c24)C(=O)NC(=
    N3)O; Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P
    ](O)(O)=O)C3=C(N=C4CC(C)(C)c(c1C)c24)C(=
    O)NC(=N3)O; O=C1NC(=O)N=C4C1N=C2CC(c3c2c
    (cc(c3C)C)N4CC(C(C(O)COP(O)(O)=O)O)O)(C)
    C    		 1-deoxy-5-O-phosphono-1-[(10aR)-2,2,3,4-tetramethyl-8,10-dioxo-1,2,8,9,10,10a-hexahydro-6H-indeno[1,7-ef]pyrimido[4,5-b][1,4]diazepin-6-yl]-D-ribitol
    21393 G
    CHEMBL283807
    DB01972
    ZINC000002159505    		 194 C10 H14 N5 O8 P InChI=1S/C10H14N5O8P/c11-
    10-13-7-4(8(18)14-10)12-2
    -15(7)9-6(17)5(16)3(23-9)
    1-22-24(19,20)21/h2-3,5-6
    ,9,16-17H,1H2,(H2,19,20,2
    1)(H3,11,13,14,18)/t3-,5-
    ,6-,9-/m1/s1;
    RQFCJASXJCIDSX-UUOKFMHZSA-N    		 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P]
    (O)(O)=O)[C@@H](O)[C@H]3O; NC1=Nc2n(cnc2
    C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]3O; O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3
    O)COP(=O)(O)O; c1nc2c(n1C3C(C(C(O3)COP(=
    O)(O)O)O)O)N=C(NC2=O)N; c1nc2c(n1[C@H]3[
    C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=
    C(NC2=O)N    		 GUANOSINE-5'-MONOPHOSPHATE
    21394 G00
    CHEMBL568966
    ZINC000004713685    		 2 C12 H17 Cl N2 O S InChI=1S/C12H17ClN2OS/c1-
    2-3-6-16-11-5-4-9(7-10(11
    )13)8-17-12(14)15/h4-5,7H
    ,2-3,6,8H2,1H3,(H3,14,15);
    IONZMLSFEITLRK-UHFFFAOYSA-N    		 CCCCOc1ccc(cc1Cl)CSC(=N)N; [H]/N=C(/N)\S
    Cc1ccc(c(c1)Cl)OCCCC; CCCCOc1ccc(CSC(N)=
    N)cc1Cl    		 4-butoxy-3-chlorobenzyl imidothiocarbamate
    21395 G01
    CHEMBL1232884
    ZINC000034279157    		 2 C6 H12 N O6 P InChI=1S/C6H12NO6P/c1-14(
    12,13)7-4(6(10)11)2-3-5(8
    )9/h4H,2-3H2,1H3,(H,8,9)(
    H,10,11)(H2,7,12,13)/t4-/
    m1/s1;
    XVXVUGZUKCQIOK-SCSAIBSYSA-N    		 CP(=O)(NC(CCC(=O)O)C(=O)O)O; C[P](O)(=O)
    N[CH](CCC(O)=O)C(O)=O; O=C(O)CCC(NP(=O)(
    O)C)C(=O)O; C[P@](O)(=O)N[C@H](CCC(O)=O)
    C(O)=O; C[P@](=O)(N[C@H](CCC(=O)O)C(=O)O
    )O    		 N-[(R)-hydroxy(methyl)phosphoryl]-D-glutamic acid;
    N-PHOSPHONOMETHYL-D-GLUTAMIC ACID
    21396 G02 1 C25 H19 F3 N8 O InChI=1S/C25H19F3N8O/c1-1
    4-6-7-15(24(37)32-17-5-3-
    4-16(11-17)25(26,27)28)10
    -19(14)33-21-18-12-31-36(
    2)23(18)35-22(34-21)20-13
    -29-8-9-30-20/h3-13H,1-2H
    3,(H,32,37)(H,33,34,35);
    NPNYLZWEJSSGBG-UHFFFAOYSA-N    		 Cc1ccc(cc1Nc2c3cnn(c3nc(n2)c4cnccn4)C)C(
    =O)Nc5cccc(c5)C(F)(F)F; Cn1ncc2c(Nc3cc(c
    cc3C)C(=O)Nc4cccc(c4)C(F)(F)F)nc(nc12)c5
    cnccn5    		 4-methyl-3-[(1-methyl-6-pyrazin-2-yl-pyrazolo[3,4-d]pyrimidin-4-yl)amino]-~{N}-[3-(trifluoromethyl)phenyl]benzamide
    21397 G03 4 C14 H23 N2 O7 P S InChI=1S/C14H23N2O7PS/c1-
    9-13(17)11(10(6-15-9)8-23
    -24(19,20)21)7-16-12(4-5-
    25-3)14(18)22-2/h6,12,16-
    17H,4-5,7-8H2,1-3H3,(H2,1
    9,20,21)/t12-/m0/s1;
    XFBSUAILPATRCO-LBPRGKRZSA-N    		 COC(=O)[C@H](CCSC)NCc1c(O)c(C)ncc1CO[P](
    O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)CNC(CC
    SC)C(=O)OC)O; Cc1c(c(c(cn1)COP(=O)(O)O)C
    N[C@@H](CCSC)C(=O)OC)O; COC(=O)[CH](CCSC
    )NCc1c(O)c(C)ncc1CO[P](O)(O)=O    		 methyl (2S)-2-[[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylamino]-4-methylsulfanyl-butanoate
    21398 G04
    CHEMBL3577576
    ZINC000098208913    		 6 C29 H40 N2 O9 S InChI=1S/C29H40N2O9S/c1-1
    9(2)15-31(41(34,35)22-12-
    10-21(36-3)11-13-22)16-24
    (32)23(14-20-8-6-5-7-9-20
    )30-29(33)40-26-18-39-28-
    27(26)25(37-4)17-38-28/h5
    -13,19,23-28,32H,14-18H2,
    1-4H3,(H,30,33)/t23-,24+,
    25-,26-,27-,28+/m0/s1;
    YOBNNQXGIZIFRK-ZXOGEQNHSA-N    		 O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)CC(O)C(NC(
    =O)OC2COC3OCC(OC)C23)Cc4ccccc4; CO[C@H]1
    CO[C@@H]2OC[C@H](OC(=O)N[C@@H](Cc3ccccc3
    )[C@H](O)CN(CC(C)C)[S](=O)(=O)c4ccc(OC)c
    c4)[C@H]12; CC(C)CN(CC(C(Cc1ccccc1)NC(=O
    )OC2COC3C2C(CO3)OC)O)S(=O)(=O)c4ccc(cc4)
    OC; CC(C)C[N@@](C[C@H]([C@H](Cc1ccccc1)N
    C(=O)O[C@H]2CO[C@@H]3[C@H]2[C@H](CO3)OC)
    O)S(=O)(=O)c4ccc(cc4)OC; CO[CH]1CO[CH]2O
    C[CH](OC(=O)N[CH](Cc3ccccc3)[CH](O)CN(CC
    (C)C)[S](=O)(=O)c4ccc(OC)cc4)[CH]12    		 (3R,3aS,4R,6aR)-4-methoxyhexahydrofuro[2,3-b]furan-3-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate
    21399 G05
    ZINC000116522216    		 2 C29 H40 N2 O8 S InChI=1S/C29H40N2O8S/c1-2
    0(2)18-31(40(34,35)24-11-
    9-22(36-3)10-12-24)19-26(
    32)25(15-21-7-5-4-6-8-21)
    30-29(33)39-23-16-27-28(1
    7-23)38-14-13-37-27/h4-12
    ,20,23,25-28,32H,13-19H2,
    1-3H3,(H,30,33)/t23-,25-,
    26+,27+,28-/m0/s1;
    JRXDKTCILCAIFM-XVYWXRPESA-N    		 COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[C@@H](
    O)[C@H](Cc2ccccc2)NC(=O)O[C@H]3C[C@H]4OC
    CO[C@H]4C3; CC(C)CN(CC(C(Cc1ccccc1)NC(=O
    )OC2CC3C(C2)OCCO3)O)S(=O)(=O)c4ccc(cc4)O
    C; COc1ccc(cc1)[S](=O)(=O)N(CC(C)C)C[CH]
    (O)[CH](Cc2ccccc2)NC(=O)O[CH]3C[CH]4OCCO
    [CH]4C3; O=S(=O)(c1ccc(OC)cc1)N(CC(C)C)C
    C(O)C(NC(=O)OC2CC3OCCOC3C2)Cc4ccccc4; CC
    (C)C[N@@](C[C@H]([C@H](Cc1ccccc1)NC(=O)O
    C2C[C@@H]3[C@H](C2)OCCO3)O)S(=O)(=O)c4cc
    c(cc4)OC    		 (4aR,6r,7aS)-hexahydro-4aH-cyclopenta[b][1,4]dioxin-6-yl [(1S,2R)-1-benzyl-2-hydroxy-3-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}propyl]carbamate
    21400 G06 4 C14 H21 N2 O7 P S InChI=1S/C14H21N2O7PS/c1-
    9-13(17)11(10(6-15-9)8-23
    -24(19,20)21)7-16-12(4-5-
    25-3)14(18)22-2/h6-7,12,1
    7H,4-5,8H2,1-3H3,(H2,19,2
    0,21)/b16-7+/t12-/m0/s1;
    VXNUIRDVLGPXAG-QFULYMJESA-N    		 COC(=O)[C@H](CCSC)N=Cc1c(O)c(C)ncc1CO[P]
    (O)(O)=O; Cc1c(c(c(cn1)COP(=O)(O)O)C=NC(
    CCSC)C(=O)OC)O; Cc1c(c(c(cn1)COP(=O)(O)O
    )/C=N/[C@@H](CCSC)C(=O)OC)O; COC(=O)[CH]
    (CCSC)N=Cc1c(O)c(C)ncc1CO[P](O)(O)=O    		 methyl (2S)-2-[(E)-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]-4-methylsulfanyl-butanoate
    Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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