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

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    [Click to show 2D diagrams for ligand structures]
    # ID Count Chemical
    formula     		InChI;
    InChIKey     		SMILES Ligand
    Name
    35201 RU2 2 C H10 O6 Ru InChI=1S/CO.5H2O.Ru/c1-2;
    ;;;;;/h;5*1H2;/q+1;;;;;;+
    5;
    XGGVDGPXQXWURT-UHFFFAOYSA-N    		 C(#[O+])[Ru]([OH2+])([OH2+])([OH2+])([OH
    2+])[OH2+]; [OH2+][Ru]([OH2+])([OH2+])([
    OH2+])([OH2+])C#[O+]    		 pentakis(oxidaniumyl)-(oxidaniumylidynemethyl)ruthenium
    35202 RU3 0 C2 H18 N8 O5 Ru2 InChI=1S/2CH2O2.8H2N.O.2R
    u/c2*2-1-3;;;;;;;;;;;/h2*
    1H,(H,2,3);8*1H2;;;/q;;8*
    -1;;2*+5/p-2;
    NJIATLYSFWLYKK-UHFFFAOYSA-L    		 N[Ru](O[Ru](N)(N)(N)(N)OC=O)(N)(N)(N)OC=
    O; C(=O)O[Ru](N)(N)(N)(N)O[Ru](N)(N)(N)(
    N)OC=O; N[Ru](N)(N)(N)(OC=O)O[Ru](N)(N)(
    N)(N)OC=O    		 ruthenium(6+) formate azanide tetraamino(formato-kappaO)oxidoruthenate(1-) (1/1/4/1)
    35203 RU4
    CHEMBL1308561
    ZINC000001387541    		 3 C11 H11 N3 O2 S InChI=1S/C11H11N3O2S/c1-2
    -12-11(15)16-9-5-3-8(4-6-
    9)10-7-17-14-13-10/h3-7H,
    2H2,1H3,(H,12,15);
    VSHNRASUUBQGMG-UHFFFAOYSA-N    		 CCNC(=O)Oc1ccc(cc1)c2csnn2; N(C(Oc1ccc(c
    c1)c2nnsc2)=O)CC    		 4-(1,2,3-thiadiazol-4-yl)phenyl ethylcarbamate
    35204 RU5
    CHEMBL179583
    ZINC000003815901    		 1 C20 H14 Cl N3 O2 InChI=1S/C20H14ClN3O2/c21
    -14-4-8-16(9-5-14)26-15-6
    -1-12(2-7-15)20-23-17-10-
    3-13(19(22)25)11-18(17)24
    -20/h1-11H,(H2,22,25)(H,2
    3,24);
    UXGJAOIJSROTTN-UHFFFAOYSA-N    		 Clc4ccc(Oc3ccc(c2nc1ccc(cc1n2)C(=O)N)cc3
    )cc4; c1cc(ccc1c2[nH]c3cc(ccc3n2)C(=O)N)
    Oc4ccc(cc4)Cl; NC(=O)c1ccc2nc([nH]c2c1)c
    3ccc(Oc4ccc(Cl)cc4)cc3    		 2-[4-(4-CHLOROPHENOXY)PHENYL]-1H-BENZIMIDAZOLE-6-CARBOXAMIDE
    35205 RU6
    ZINC000263620720    		 0 C51 H81 N5 O13 InChI=1S/C51H81N5O13/c1-1
    5-38-51(10)43(56(48(61)69
    -51)22-17-16-21-55-27-36(
    53-28-55)35-19-18-20-52-2
    6-35)31(4)40(57)29(2)24-5
    0(9,63-14)45(68-47-41(58)
    37(54(11)12)23-30(3)64-47
    )32(5)42(33(6)46(60)66-38
    )67-39-25-49(8,62-13)44(5
    9)34(7)65-39/h18-20,26-34
    ,37-39,41-45,47,58-59H,15
    -17,21-25H2,1-14H3/t29-,3
    0-,31+,32+,33-,34+,37+,38
    -,39+,41-,42+,43-,44+,45-
    ,47+,49-,50-,51-/m1/s1;
    LSUFMKOMGWIEMZ-IBNZHXLDSA-N    		 O=C6OC(CC)C3(OC(=O)N(CCCCn1cc(nc1)c2cccn
    c2)C3C(C(=O)C(C)CC(OC)(C)C(OC4OC(C)CC(N(
    C)C)C4O)C(C(OC5OC(C(O)C(OC)(C5)C)C)C6C)C
    )C)C; CC[C@@H]1[C@@]2([C@@H]([C@H](C(=O)
    [C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](
    C(=O)O1)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)
    C)O)(C)OC)C)O[C@H]4[C@@H]([C@H](C[C@H](O
    4)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc
    (nc5)c6cccnc6)C; CC[C@H]1OC(=O)[C@H](C)[
    C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H]
    (C)O2)[C@H](C)[C@@H](O[C@@H]3O[C@H](C)C[
    C@@H]([C@H]3O)N(C)C)[C@@](C)(C[C@@H](C)C
    (=O)[C@H](C)[C@H]4N(CCCCn5cnc(c5)c6cccnc
    6)C(=O)O[C@]14C)OC; CC[CH]1OC(=O)[CH](C)
    [CH](O[CH]2C[C](C)(OC)[CH](O)[CH](C)O2)[
    CH](C)[CH](O[CH]3O[CH](C)C[CH]([CH]3O)N(
    C)C)[C](C)(C[CH](C)C(=O)[CH](C)[CH]4N(CC
    CCn5cnc(c5)c6cccnc6)C(=O)O[C]14C)OC; CCC
    1C2(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC3C
    C(C(C(O3)C)O)(C)OC)C)OC4C(C(CC(O4)C)N(C)
    C)O)(C)OC)C)C)N(C(=O)O2)CCCCn5cc(nc5)c6c
    ccnc6)C    		 (3AS,4R,7R,8S,9S,10R,11R,13R,15R,15AR)-4-ETHYL-11-METHOXY-3A,7,9,11,13,15-HEXAMETHYL-2,6,14-TRIOXO-1-[4-(4-PYRIDIN-3-YL-1H-IMIDAZOL-1-YL)BUTYL]-10-{[3,4,6-TRIDEOXY-3-(DIMETHYLAMINO)-BETA-D-XYLO-HEXOPYRANOSYL]OXY}TETRADECAHYDRO-2H-OXACYCLOTETRADECINO[4,3-D][1,3]OXAZOL-8-YL 2,6-DIDEOXY-3-C-METHYL-3-O-METHYL-ALPHA-L-RIBO-HEXOPYRANOSIDE;
    (1R,2R,4R,6R,7R,8S,9S,10R,13R,14S)-7-[(2S,3R,4S,6R)-4-DIMETHYLAMINO-3-HYDROXY-6-METHYL-OXAN-2-YL]OXY-13-ETHYL-9-[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYL-OXAN-2-YL]OXY-6-METHOXY-2,4,6,8,10,14-HEXAMETHYL-17-[4-(4-PYRIDIN-3-YLIMIDAZOL-1-YL)BUTYL]-12,15-DIOXA-17-AZABICYCLO[12.3.0]HEPTADECANE-3,11,16-TRIONE
    35206 RU7 5 C10 H14 Cl2 Ru InChI=1S/C10H14.2ClH.Ru/c
    1-8(2)10-6-4-9(3)5-7-10;;
    ;/h4-8H,1-3H3;2*1H;/q;;;+
    2/p-2;
    UCXDWSTYBSBFFB-UHFFFAOYSA-L    		 CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|
    4)C|5(=C3|6)C; CC(C)C12=[CH]3[Ru]1456([C
    H]2=[CH]4C5(=[CH]63)C)(Cl)Cl; Cl[Ru]6543
    2(Cl)C1=C6C5(=C4C3=C12C(C)C)C    		 PARA-CYMENE RUTHENIUM CHLORIDE
    35207 RU8 5 C34 H26 I N7 O Ru InChI=1S/C14H10IN3O.2C10H
    8N2.Ru/c15-8-12(19)18-11-
    7-9-3-1-5-16-13(9)14-10(1
    1)4-2-6-17-14;2*1-3-7-11-
    9(5-1)10-6-2-4-8-12-10;/h
    1-7H,8H2,(H,18,19);2*1-8H
    ;/q;;;+2;
    IMVNBPJSKRZLRT-UHFFFAOYSA-N    		 ICC(=O)Nc1cc7c6c2c1cccn2[Ru+2]%105(n3ccc
    cc3c4ccccn45)(n6ccc7)n8ccccc8c9ccccn9%10
    ; [Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6c
    cccc6c7ccccn|27)|n8cccc9cc(NC(=O)CI)c%10
    cccn|3c%10c89; c1c2c3c4c(c1NC(=O)CI)C=CC
    =[N]4[Ru+2]56([N]3=CC=C2)([N]7=C(C=CC=C7
    )C8=[N]5C=CC=C8)[N]9=C(C=CC=C9)C1=CC=CC=
    [N]61    		 bis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)[2-iodo-N-(1,10-phenanthrolin-5-yl-kappa~2~N~1~,N~10~)acetamide]ruthenium(2+)
    35208 RU9
    CHEMBL367263
    ZINC000013612095    		 1 C20 H15 N3 O3 InChI=1S/C20H15N3O3/c21-1
    9(25)13-6-9-17-18(10-13)2
    3-20(22-17)12-4-7-15(8-5-
    12)26-16-3-1-2-14(24)11-1
    6/h1-11,24H,(H2,21,25)(H,
    22,23);
    PMCFOCQQFLSWEU-UHFFFAOYSA-N    		 c1cc(cc(c1)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)
    C(=O)N)O; NC(=O)c1ccc2nc([nH]c2c1)c3ccc(
    Oc4cccc(O)c4)cc3; O=C(c3ccc4nc(c2ccc(Oc1
    cccc(O)c1)cc2)nc4c3)N    		 2-(4-(3-HYDROXYPHENOXY)PHENYL)-1H-BENZO[D]IMIDAZOLE-5-CARBOXAMIDE
    35209 RUA 2 C32 H56 N6 Ru InChI=1S/C12H20N2.2C10H18
    N2.Ru/c1-9-3-5-13-11(7-9)
    12-8-10(2)4-6-14-12;2*1-3
    -7-11-9(5-1)10-6-2-4-8-12
    -10;/h3,10-12H,4-8H2,1-2H
    3;2*9-10H,1-8H2;/q3*-2;+6
    /t10-,11?,12?;2*9-,10?;/m
    011./s1;
    YAYKSGBDMCLSRX-YMKCNCASSA-N    		 C[CH]1CCN2[CH](C1)[CH]3CC(=CCN3[Ru]245(N
    6CCCC[CH]6[CH]7CCCCN47)N8CCCC[CH]8[CH]9C
    CCCN59)C; C[C@H]1CCN2[C@@H](C1)[C@@H]3CC
    (=CCN3[Ru]245(N6CCCC[C@@H]6[C@@H]7CCCCN4
    7)N8CCCC[C@@H]8[C@H]9CCCCN59)C; CC1CCN2C
    (C1)C3CC(=CCN3[Ru]245(N6CCCCC6C7N4CCCC7)
    N8CCCCC8C9N5CCCC9)C; N92C(C1N(CCC(C1)C)[
    Ru]258(N3CCCCC3C4N5CCCC4)N6CCCCC6C7N8CCC
    C7)CC(=CC9)C    		 (4'-METHYL-2,2'BIPYRIDINE)BIS(2,2'-BIPYRIDINE)
    35210 RUB 70 C5 H12 O11 P2 InChI=1S/C5H12O11P2/c6-3(
    1-15-17(9,10)11)5(8)4(7)2
    -16-18(12,13)14/h3,5-6,8H
    ,1-2H2,(H2,9,10,11)(H2,12
    ,13,14)/t3-,5-/m1/s1;
    YAHZABJORDUQGO-NQXXGFSBSA-N    		 C([C@H]([C@H](C(=O)COP(=O)(O)O)O)O)OP(=O
    )(O)O; O[CH](CO[P](O)(O)=O)[CH](O)C(=O)C
    O[P](O)(O)=O; O=P(O)(O)OCC(O)C(O)C(=O)CO
    P(=O)(O)O; C(C(C(C(=O)COP(=O)(O)O)O)O)OP
    (=O)(O)O; O[C@H](CO[P](O)(O)=O)[C@@H](O)
    C(=O)CO[P](O)(O)=O    		 RIBULOSE-1,5-DIPHOSPHATE
    35211 RUC 2 C6 H6 Ru InChI=1S/C6H6.Ru/c1-2-4-6
    -5-3-1;/h1-6H;;
    BFWXATGPNNYZKL-UHFFFAOYSA-N    		 [CH]12=[CH]3[Ru]1456[CH]2=[CH]4[CH]5=[CH
    ]63; [Ru].C1=CC=CC=C1    		 (eta6-benzene)ruthenium
    35212 RUD 7 C16 H24 Cl2 N3 O2 P Ru InChI=1S/C10H12O2.C6H12N3
    P.2ClH.Ru/c1-8-2-4-9(5-3-
    8)6-7-10(11)12;1-7-2-9-3-
    8(1)5-10(4-7)6-9;;;/h2-5H
    ,6-7H2,1H3,(H,11,12);1-6H
    2;2*1H;/q;;;;+1/p-1;
    UZIJOIXYBLAWLW-UHFFFAOYSA-M    		 [Ru](P13CN2CN(C1)CN(C2)C3)(Cl)Cl.c1(C)cc
    c(cc1)CCC(=O)O; Cc1ccc(cc1)CCC(=O)O.C1N2
    CN3CN1C[P](C2)(C3)[Ru](Cl)Cl; Cc1ccc(CCC
    (O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4    		 [ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2
    35213 RUE
    CHEMBL4216076    		 2 C18 H18 N2 O6 InChI=1S/C18H18N2O6/c21-1
    6(19-26)11-20(9-12-3-1-5-
    14(7-12)17(22)23)10-13-4-
    2-6-15(8-13)18(24)25/h1-8
    ,26H,9-11H2,(H,19,21)(H,2
    2,23)(H,24,25);
    KHSBLMDTVROJFV-UHFFFAOYSA-N    		 c1cc(cc(c1)C(=O)O)CN(Cc2cccc(c2)C(=O)O)C
    C(=O)NO; ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2
    cccc(c2)C(O)=O    		 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid;
    3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid;
    MWT-S-270;
    CHEMBL4216076
    35214 RUF
    CHEMBL1235760
    ZINC000004815853    		 4 C18 H21 Cl N6 O2 InChI=1S/C18H21ClN6O2/c1-
    22-15-14(16(26)23(2)18(22
    )27)25(11-12-5-3-4-6-13(1
    2)19)17(21-15)24-9-7-20-8
    -10-24/h3-6,20H,7-11H2,1-
    2H3;
    PDZWWGBRZISNRL-UHFFFAOYSA-N    		 Clc1ccccc1Cn2c(nc3c2C(=O)N(C(=O)N3C)C)N4
    CCNCC4; CN1C(=O)N(C)c2nc(N3CCNCC3)n(Cc4c
    cccc4Cl)c2C1=O; CN1c2c(n(c(n2)N3CCNCC3)C
    c4ccccc4Cl)C(=O)N(C1=O)C    		 7-(2-chlorobenzyl)-1,3-dimethyl-8-piperazin-1-yl-3,7-dihydro-1H-purine-2,6-dione
    35215 RUG
    CHEMBL602068
    ZINC000045368693    		 1 C9 H15 N3 O6 InChI=1S/C9H15N3O6/c13-2-
    4-1-12(11-10-4)9-8(17)7(1
    6)6(15)5(3-14)18-9/h1,5-9
    ,13-17H,2-3H2/t5-,6-,7+,8
    -,9-/m1/s1;
    BHGZOVXPACYZLI-SYHAXYEDSA-N    		 c1c(nnn1[C@H]2[C@@H]([C@H]([C@@H]([C@H](
    O2)CO)O)O)O)CO; OC[CH]1O[CH]([CH](O)[CH]
    (O)[CH]1O)n2cc(CO)nn2; OC[C@H]1O[C@H]([C
    @H](O)[C@@H](O)[C@@H]1O)n2cc(CO)nn2; n1n
    n(cc1CO)C2OC(C(O)C(O)C2O)CO; c1c(nnn1C2C
    (C(C(C(O2)CO)O)O)O)CO    		 1-beta-D-glucopyranosyl-4-(hydroxymethyl)-1H-1,2,3-triazole;
    1-beta-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole;
    1-D-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole;
    1-glucosyl-4-(hydroxymethyl)-1H-1,2,3-triazole
    35216 RUH 0 C16 H22 Cl N2 Ru InChI=1S/C14H10.C2H6N2.Cl
    H.Ru/c1-2-6-12-10-14-8-4-
    3-7-13(14)9-11(12)5-1;3-1
    -2-4;;/h1-2H,5-6,9-10H2;3
    -4H,1-2H2;1H;/q;-2;;+3/p-
    1;
    GYWLGEANONYPCA-UHFFFAOYSA-M    		 C1C[N][Ru]23456([N]1)(C7=C2C38=C4(C5=C67
    )CC9=C(C8)CC=CC9)Cl; NCCN.Cl[Ru].C1C=CCC
    2=C1CC3=C(C2)C=CC=C3; [Ru]493215(C=68C1=
    C2C3=C4C5=6CC=7CC=CCC=7C8)(NCCN9)Cl    		 (ethane6-5,8,9,10-tetrahydroanthracene)Ru(II)(ethylene-diamine)Cl
    35217 RUI 1 C18 H7 N2 O2 Ru InChI=1S/C12H7N2O.C5H.CO.
    Ru/c15-12-10-4-3-8-2-1-6-
    13-11(8)9(10)5-7-14-12;1-
    2-4-5-3-1;1-2;/h1-4,6-7H,
    (H,14,15);1H;;;
    KWEXAKARNWEITR-UHFFFAOYSA-N    		 c1cc2c3c4c1C=CC=[N]4[Ru]5678(C3=CNC2=O)(
    C9=C5[C]6C7=C89)C#O; [Ru]|1|2|3|45(|[C-]
    #[O+])(|C6C|1=C|2C|3=C|46)|n7cccc8ccc9c(
    =O)[nH]cc5c9c78    		 Cyclopentadienyl(carbon monoxide)(7-oxo-7,10-dihydro-1,8-phenanthrolin-10-yl-kappa~2~C~10~,N~1~)ruthenium
    35218 RUJ
    ZINC000098209380    		 1 C7 H17 N2 O2 InChI=1S/C7H16N2O2/c1-8(9
    (2,3)4)6-5-7(10)11/h5-6H2
    ,1-4H3/p+1;
    NXHYIEABELXCMM-UHFFFAOYSA-O    		 O=C(O)CCN([N+](C)(C)C)C; CN(CCC(O)=O)[N+
    ](C)(C)C; CN(CCC(=O)O)[N+](C)(C)C    		 3-(1,1,1,2-TETRAMETHYLHYDRAZIN-1-IUM-2-YL)PROPANOATE
    35219 RUL 0 C64 H44 N14 Ru2 InChI=1S/C24H12N6.4C10H8N
    2.2Ru/c1-5-13-17(25-9-1)1
    8-14(6-2-10-26-18)22-21(1
    3)29-23-15-7-3-11-27-19(1
    5)20-16(24(23)30-22)8-4-1
    2-28-20;4*1-3-7-11-9(5-1)
    10-6-2-4-8-12-10;;/h1-12H
    ;4*1-8H;;/q;;;;;2*+2;
    CUPZTUKKQZECGK-UHFFFAOYSA-N    		 C1=CC=[N]2C(=C1)C3=CC=CC=[N]3[Ru+2]245([
    N]6=C7C(=CC=C6)c8c(nc9c1c2c3c(c9n8)C=CC=
    [N]3[Ru+2]36([N]2=CC=C1)([N]1=C(C=CC=C1)
    C1=[N]3C=CC=C1)[N]1=C(C=CC=C1)C1=[N]6C=C
    C=C1)C1=CC=C[N]4=C17)[N]1=CC=CC=C1C1=CC=
    CC=[N]51; n1c%13c(nc4c1c2cccn%11c2c3n(cc
    cc34)[Ru+2]7%10%11(n5ccccc5c6ccccn67)n8c
    cccc8c9ccccn9%10)c%12cccn%21c%12c%14c%13
    cccn%14[Ru+2]%17%20%21(n%15ccccc%15c%16c
    cccn%16%17)n%18ccccc%18c%19ccccn%19%20;
    [Ru++]|1|2|3(|n4ccccc4c5ccccn|15)(|n6ccc
    cc6c7ccccn|27)|n8cccc9c8c%10n|3cccc%10c%
    11nc%12c%13cccn%14|[Ru++]|%15|%16(|n%17c
    cccc%17c%18ccccn|%15%18)(|n%19ccccc%19c%
    20ccccn|%16%20)|n%21cccc(c%21c%13%14)c%1
    2nc9%11    		 tetrakis(2,2'-bipyridine-kappa~2~N~1~,N~1'~)(mu-tetrapyrido[3,2-a:2',3'-c:3'',2''-h:2''',3'''-j]phenazine-1kappa~2~N~4~,N~5~:2kappa~2~N~13~,N~14~)diruthenium(4+)
    35220 RUM
    CHEMBL1235761
    ZINC000058638406    		 4 C17 H18 Br N5 O InChI=1S/C17H18BrN5O/c18-
    15-9-21-17(22-7-3-6-14(20
    )11-22)23(16(15)24)10-13-
    5-2-1-4-12(13)8-19/h1-2,4
    -5,9,14H,3,6-7,10-11,20H2
    /t14-/m1/s1;
    GGCILSXUAHLDMF-CQSZACIVSA-N    		 c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCCC(C3)N)B
    r)C#N; c1ccc(c(c1)CN2C(=O)C(=CN=C2N3CCC[
    C@H](C3)N)Br)C#N; N[CH]1CCCN(C1)C2=NC=C(
    Br)C(=O)N2Cc3ccccc3C#N; N[C@@H]1CCCN(C1)
    C2=NC=C(Br)C(=O)N2Cc3ccccc3C#N; N#Cc1ccc
    cc1CN3C(=O)C(Br)=CN=C3N2CC(N)CCC2    		 2-({2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-6-oxopyrimidin-1(6H)-yl}methyl)benzonitrile
    35221 RUN
    CHEMBL326473    		 4 C38 H46 N4 O5 InChI=1S/C38H46N4O5/c1-25
    (2)34(42-38(46)47-24-29-1
    8-12-7-13-19-29)37(45)41-
    31(21-28-16-10-6-11-17-28
    )33(43)22-30(20-27-14-8-5
    -9-15-27)36-39-23-32(40-3
    6)35(44)26(3)4/h5-19,23,2
    5-26,30-31,33-34,43H,20-2
    2,24H2,1-4H3,(H,39,40)(H,
    41,45)(H,42,46)/t30-,31+,
    33+,34+/m1/s1;
    RQAVEWKEUKIFLD-LVPKLHHISA-N    		 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H]
    (Cc2ccccc2)[C@@H](O)C[C@@H](Cc3ccccc3)c4
    [nH]c(cn4)C(=O)C(C)C; O=C(OCc1ccccc1)NC(
    C(=O)NC(C(O)CC(c2ncc(n2)C(=O)C(C)C)Cc3cc
    ccc3)Cc4ccccc4)C(C)C; CC(C)C(C(=O)NC(Cc1
    ccccc1)C(CC(Cc2ccccc2)c3[nH]c(cn3)C(=O)C
    (C)C)O)NC(=O)OCc4ccccc4; CC(C)[C@@H](C(=
    O)N[C@@H](Cc1ccccc1)[C@H](C[C@@H](Cc2ccc
    cc2)c3[nH]c(cn3)C(=O)C(C)C)O)NC(=O)OCc4c
    cccc4; CC(C)[CH](NC(=O)OCc1ccccc1)C(=O)N
    [CH](Cc2ccccc2)[CH](O)C[CH](Cc3ccccc3)c4
    [nH]c(cn4)C(=O)C(C)C    		 2-[(1R,3S,4S)-1-BENZYL-4-[N-(BENZYLOXYCARBONYL)-L-VALYL]AMINO-3-PHENYLPENTYL]-4(5)-(2-METHYLPROPIONYL)IMIDAZOLE;
    SB206343
    35222 RUO 0 O Ru3 InChI=1S/O.3Ru;
    VRRCAPVAMMGJAC-UHFFFAOYSA-N    		 O([Ru])([Ru])[Ru]; [Ru][O]([Ru])[Ru] oxo-centered triruthenium cluster
    35223 RUP 1 C29 H37 N5 O2 InChI=1S/C29H37N5O2/c30-2
    6(31)24-8-4-7-20(14-24)15
    -25(27(35)32-10-9-19-5-2-
    1-3-6-19)33-28(36)34-29-1
    6-21-11-22(17-29)13-23(12
    -21)18-29/h1-8,14,21-23,2
    5H,9-13,15-18H2,(H3,30,31
    )(H,32,35)(H2,33,34,36)/t
    21-,22+,23-,25-,29-/m1/s1;
    QYKLXCYULDLMPX-ZEFMGYOLSA-N    		 c1ccc(cc1)CCNC(=O)C(Cc2cccc(c2)C(=N)N)NC
    (=O)NC34CC5CC(C3)CC(C5)C4; NC(=N)c1cccc(
    C[CH](NC(=O)NC23CC4CC(CC(C4)C2)C3)C(=O)N
    CCc5ccccc5)c1; NC(=N)c1cccc(C[C@@H](NC(=
    O)NC23CC4CC(CC(C4)C2)C3)C(=O)NCCc5ccccc5
    )c1; c1ccc(cc1)CCNC(=O)[C@@H](Cc2cccc(c2
    )C(=N)N)NC(=O)NC34CC5CC(C3)CC(C5)C4; O=C
    (NCCc1ccccc1)C(NC(=O)NC23CC4CC(C2)CC(C3)
    C4)Cc5cc(C(=[N@H])N)ccc5    		 (R)-2-(3-ADAMANTAN-1-YL-UREIDO)-3-(3-CARBAMIMIDOYL-PHENYL)-N-PHENETHYL-PROPIONAMIDE
    35224 RUQ 1 Cu3 H S2 InChI=1S/3Cu.H2S.S/h;;;1H
    2;/q;;+1;;+1/p-1;
    GESPGIVOECOYJT-UHFFFAOYSA-M    		 S[Cu][S+]([Cu])[Cu] (dicuprio-$l^{3}-sulfanyl)-sulfanyl-copper
    35225 RUR 3 C34 H36 N4 O4 Ru InChI=1S/C34H38N4O4.Ru/c1
    -7-21-17(3)25-13-26-19(5)
    23(9-11-33(39)40)31(37-26
    )16-32-24(10-12-34(41)42)
    20(6)28(38-32)15-30-22(8-
    2)18(4)27(36-30)14-29(21)
    35-25;/h13-16H,7-12H2,1-6
    H3,(H4,35,36,37,38,39,40,
    41,42);/q;+2/p-2/b25-13-,
    26-13-,27-14-,28-15-,29-1
    4-,30-15-,31-16-,32-16-;;
    UBGGULWHFXPIQZ-RGGAHWMASA-L    		 CCC1=C(C)C2=N3|[Ru]45|N6=C(C=c7n4c(=C2)c
    (C)c7CCC(O)=O)C(=C(C)C6=Cc8n5c(C=C13)c(C
    )c8CC)CCC(O)=O; CCc1c(c2n3c1C=C4C(=C(C5=
    [N]4[Ru]36[N]7=C(C=C8N6C(=C5)C(=C8C)CCC(
    =O)O)C(=C(C7=C2)CC)C)CCC(=O)O)C)C; CCc1c
    (c2n3c1C=C4C(=C(C5=[N]4[Ru@@]36[N]7=C(C=
    C8N6C(=C5)C(=C8C)CCC(=O)O)C(=C(C7=C2)CC)
    C)CCC(=O)O)C)C; O=C(O)CCC1=C(C2=Cc7c(c(c
    6C=C8N3=C(C=C4C(=C(C5=CC1=N2[Ru]3(N45)n6
    7)CCC(=O)O)C)C(=C8CC)C)C)CC)C    		 [3,3'-(7,12-diethyl-3,8,13,17-tetramethylporphyrin-2,18-diyl-kappa~4~N~21~,N~22~,N~23~,N~24~)dipropanoato(2-)]ruthenium;
    MESOPORPHYRIN IX CONTAINING RU
    35226 RUS 0 C9 H13 N2 O8 P Se InChI=1S/C9H13N2O8PSe/c12
    -5-1-2-11(9(21)10-5)8-7(1
    4)6(13)4(19-8)3-18-20(15,
    16)17/h1-2,4,6-8,13-14H,3
    H2,(H,10,12,21)(H2,15,16,
    17)/t4-,6-,7-,8-/m1/s1;
    OOOIYMZGLXSVKX-XVFCMESISA-N    		 C1=CN(C(=NC1=O)[SeH])[C@H]2[C@@H]([C@@H]
    ([C@H](O2)COP(=O)(O)O)O)O; O[C@H]1[C@@H]
    (O)[C@@H](O[C@@H]1CO[P](O)(O)=O)N2C=CC(=
    O)N=C2[SeH]; O=P(O)(O)OCC2OC(N1C(=NC(=O)
    C=C1)[SeH])C(O)C2O; C1=CN(C(=NC1=O)[SeH]
    )C2C(C(C(O2)COP(=O)(O)O)O)O; O[CH]1[CH](
    O)[CH](O[CH]1CO[P](O)(O)=O)N2C=CC(=O)N=C
    2[SeH]    		 1-(5-O-phosphono-beta-D-ribofuranosyl)-2-selanylpyrimidin-4(1H)-one
    35227 RUT
    CHEMBL226335
    DB01698
    ZINC000004096846    		 4 C27 H30 O16 InChI=1S/C27H30O16/c1-8-1
    7(32)20(35)22(37)26(40-8)
    39-7-15-18(33)21(36)23(38
    )27(42-15)43-25-19(34)16-
    13(31)5-10(28)6-14(16)41-
    24(25)9-2-3-11(29)12(30)4
    -9/h2-6,8,15,17-18,20-23,
    26-33,35-38H,7H2,1H3/t8-,
    15+,17-,18+,20+,21-,22+,2
    3+,26+,27-/m0/s1;
    IKGXIBQEEMLURG-NVPNHPEKSA-N    		 C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C
    @@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(
    Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O
    )O)O)O; C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](
    OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5
    )[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H]
    (O)[C@H]1O; CC1C(C(C(C(O1)OCC2C(C(C(C(O2
    )OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)
    O)O)O)O)O)O)O; C[CH]1O[CH](OC[CH]2O[CH](
    OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5
    )[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]
    1O; O=C3C(OC1OC(C(O)C(O)C1O)COC2OC(C)C(O
    )C(O)C2O)=C(Oc4cc(O)cc(O)c34)c5ccc(O)c(O
    )c5    		 RUTIN;
    2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
    35228 RUU 14 C5 H10 O5 InChI=1S/C5H10O5/c6-2-5(9
    )4(8)3(7)1-10-5/h3-4,6-9H
    ,1-2H2/t3-,4-,5+/m0/s1;
    LQXVFWRQNMEDEE-VAYJURFESA-N    		 OC[C@@]1(O)OC[C@H](O)[C@@H]1O; OCC1(O)OC
    C(O)C1O; C1C(C(C(O1)(CO)O)O)O; OC[C]1(O)
    OC[CH](O)[CH]1O; C1[C@@H]([C@@H]([C@](O1
    )(CO)O)O)O    		 alpha-L-ribulofuranose;
    alpha-L-ribulose;
    L-ribulose;
    ribulose
    35229 RUV
    ZINC000000030082    		 1 C11 H11 N5 O2 InChI=1S/C11H11N5O2/c1-8(
    17)14-10-4-2-9(3-5-10)11(
    18)15-16-6-12-13-7-16/h2-
    7H,1H3,(H,14,17)(H,15,18);
    AGTLIJXMGDFIBI-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(cc1)C(=O)Nn2cnnc2; N(C(C)=O
    )c1ccc(cc1)C(=O)Nn2cnnc2    		 4-(acetylamino)-N-(4H-1,2,4-triazol-4-yl)benzamide
    35230 RUW 5 C20 H36 N6 O InChI=1S/C20H36N6O/c1-5-7
    -8-9-10-11-12-21-18-17-19
    (26(14-22-17)15(3)4)25-20
    (24-18)23-16(6-2)13-27/h1
    4-16,27H,5-13H2,1-4H3,(H2
    ,21,23,24,25)/t16-/m1/s1;
    PBCJJKFPGZLSLZ-MRXNPFEDSA-N    		 CCCCCCCCNc1nc(N[CH](CC)CO)nc2n(cnc12)C(C
    )C; CCCCCCCCNc1nc(N[C@H](CC)CO)nc2n(cnc1
    2)C(C)C; CCCCCCCCNc1c2c(nc(n1)N[C@H](CC)
    CO)n(cn2)C(C)C; CCCCCCCCNc1c2c(nc(n1)NC(
    CC)CO)n(cn2)C(C)C    		 (2~{R})-2-[[6-(octylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35231 RUX 2 C29 H24 N4 O5 Ru InChI=1S/C14H11N4.C14H13O
    4.CO.Ru/c1-9-17-13-6-5-10
    (8-11(13)14(15)18-9)12-4-
    2-3-7-16-12;1-16-11-8-5-9
    -12(17-2)13(11)18-14(15)1
    0-6-3-4-7-10;1-2;/h2-4,6-
    8H,1H3,(H2,15,17,18);3-9H
    ,1-2H3;;;
    AOUPQUZYXKBCEC-UHFFFAOYSA-N    		 O=C(Oc1c(OC)cccc1OC)C2(C=CC=C2)[Ru]5([C-
    ]#[O+])n6c(c4cc3c(nc(nc3cc45)C)N)cccc6;
    COc1cccc(OC)c1OC(=O)C2([Ru]3(|[C-]#[O+])
    |n4ccccc4c5cc6c(N)nc(C)nc6cc35)C=CC=C2;
    Cc1nc2cc3c(cc2c(n1)N)C4=CC=CC=[N]4[Ru]3(
    [C-]#[O+])C5(C=CC=C5)C(=O)Oc6c(cccc6OC)O
    C    		 [4-amino-2-methyl-6-(pyridin-2-yl-kappaN)quinazolin-7-yl-kappaC~7~](carbonyl){1-[(2,6-dimethoxyphenoxy)carbonyl]cyclopenta-2,4-dien-1-yl}ruthenium
    35232 RUY
    CHEMBL1330631
    ZINC000000322796    		 3 C7 H12 N4 O InChI=1S/C7H12N4O/c8-6-7(
    10-12-9-6)11-4-2-1-3-5-11
    /h1-5H2,(H2,8,9);
    RVSIGDHRHURXCQ-UHFFFAOYSA-N    		 C1CCN(CC1)c2c(non2)N; Nc1nonc1N2CCCCC2;
    N2(c1nonc1N)CCCCC2    		 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine
    35233 RUZ 1 C16 H23 N5 O9 S InChI=1S/C16H23N5O9S/c17-
    8-1-7(3-22)2-10-12(8)21(6
    -19-10)16-14(25)13(24)11(
    30-16)5-29-31(27,28)20-15
    (26)9(18)4-23/h1-2,6,9,11
    ,13-14,16,22-25H,3-5,17-1
    8H2,(H,20,26)/t9-,11+,13+
    ,14+,16+/m0/s1;
    YZMBOMBSTSCXHY-LMOQKQACSA-N    		 N[CH](CO)C(=O)N[S](=O)(=O)OC[CH]1O[CH]([
    CH](O)[CH]1O)n2cnc3cc(CO)cc(N)c23; N[C@@
    H](CO)C(=O)N[S](=O)(=O)OC[C@H]1O[C@H]([C
    @H](O)[C@@H]1O)n2cnc3cc(CO)cc(N)c23; c1c
    (cc2c(c1N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H
    ](O3)COS(=O)(=O)NC(=O)[C@H](CO)N)O)O)CO;
    c1c(cc2c(c1N)n(cn2)C3C(C(C(O3)COS(=O)(=
    O)NC(=O)C(CO)N)O)O)CO    		 [(2~{R},3~{S},4~{R},5~{R})-5-[7-azanyl-5-(hydroxymethyl)benzimidazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl ~{N}-[(2~{S})-2-azanyl-3-oxidanyl-propanoyl]sulfamate;
    SerS7HMDDA
    35234 RV0 1 C20 H18 Cl N3 O3 S InChI=1S/C20H18ClN3O3S/c1
    -2-20(12-23-28(26,27)18-8
    -7-14(21)9-16(18)20)19(25
    )24-17-11-22-10-13-5-3-4-
    6-15(13)17/h3-11,23H,2,12
    H2,1H3,(H,24,25)/t20-/m1/
    s1;
    MYVKMPCLLUQWHY-HXUWFJFHSA-N    		 CC[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)N
    c3cncc4ccccc34; CC[C@]1(CN[S](=O)(=O)c2c
    cc(Cl)cc12)C(=O)Nc3cncc4ccccc34; CCC1(CN
    S(=O)(=O)c2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cc
    cc4; Clc1ccc2c(c1)C(CNS2(=O)=O)(CC)C(=O)
    Nc1cncc2ccccc21; CC[C@]1(CNS(=O)(=O)c2c1
    cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4    		 (4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35235 RV1
    CHEMBL3414693    		 3 C10 H12 N2 O3 S InChI=1S/C10H12N2O3S/c11-
    8-3-5-9(6-4-8)16(14,15)12
    -10(13)7-1-2-7/h3-7H,1-2,
    11H2,(H,12,13);
    KTKSMAGLIAHVSM-UHFFFAOYSA-N    		 O=S(=O)(NC(=O)C1CC1)c2ccc(N)cc2; c1cc(cc
    c1N)S(=O)(=O)NC(=O)C2CC2; Nc1ccc(cc1)[S]
    (=O)(=O)NC(=O)C2CC2    		 N-[(4-aminophenyl)sulfonyl]cyclopropanecarboxamide
    35236 RV2
    CHEMBL4210355    		 2 C19 H13 Cl N2 O5 InChI=1S/C19H13ClN2O5/c20
    -13-4-5-16(15(9-13)19(25)
    26)22-18(24)17(23)21-14-3
    -1-2-11(8-14)12-6-7-27-10
    -12/h1-10H,(H,21,23)(H,22
    ,24)(H,25,26);
    MSFCICRWSXXZFO-UHFFFAOYSA-N    		 OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)
    c3cocc3; c1cc(cc(c1)NC(=O)C(=O)Nc2ccc(cc
    2C(=O)O)Cl)c3ccoc3    		 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid;
    5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid;
    TM5484;
    CHEMBL4210355
    35237 RV3 1 C18 H14 N4 O3 InChI=1S/C18H14N4O3/c23-1
    7(10-5-6-14-15(7-10)21-9-
    20-14)19-8-12-11-3-1-2-4-
    13(11)22-16(12)18(24)25/h
    1-7,9,22H,8H2,(H,19,23)(H
    ,20,21)(H,24,25);
    ZBKHDPZXZUDEDP-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc
    4c(c3)nc[nH]4; OC(=O)c1[nH]c2ccccc2c1CNC
    (=O)c3ccc4[nH]cnc4c3; O=C(O)c1[NH]c2cccc
    c2c1CNC(=O)c1ccc2[NH]cnc2c1    		 3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
    35238 RV4
    ZINC000019633913    		 2 C13 H18 N2 O2 InChI=1S/C13H18N2O2/c1-11
    (16)14-13-4-2-12(3-5-13)1
    0-15-6-8-17-9-7-15/h2-5H,
    6-10H2,1H3,(H,14,16);
    KFRGDVNNAPFDCF-UHFFFAOYSA-N    		 CC(=O)Nc1ccc(CN2CCOCC2)cc1; CC(=O)Nc1ccc
    (cc1)CN2CCOCC2; N(C(C)=O)c1ccc(cc1)CN2CC
    OCC2    		 N-{4-[(morpholin-4-yl)methyl]phenyl}acetamide
    35239 RV5
    CHEMBL2325198
    ZINC000095581007    		 1 C14 H17 N5 O2 S InChI=1S/C14H17N5O2S/c20-
    13(19-6-2-1-3-7-19)9-15-1
    4(21)16-10-4-5-11-12(8-10
    )22-18-17-11/h4-5,8H,1-3,
    6-7,9H2,(H2,15,16,21);
    MYTRGTBDVGKKRO-UHFFFAOYSA-N    		 O=C(NCC(=O)N1CCCCC1)Nc2ccc3nnsc3c2; c1cc
    2c(cc1NC(=O)NCC(=O)N3CCCCC3)snn2    		 N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327;
    1-(1,2,3-benzothiadiazol-6-yl)-3-(2-oxidanylidene-2-piperidin-1-yl-ethyl)urea
    35240 RV6
    CHEMBL518813
    ZINC000040393343    		 6 C23 H27 N7 O InChI=1S/C23H27N7O/c1-4-1
    7(13-31)27-23-28-21(20-22
    (29-23)30(14-25-20)15(2)3
    )26-18-10-8-16(9-11-18)19
    -7-5-6-12-24-19/h5-12,14-
    15,17,31H,4,13H2,1-3H3,(H
    2,26,27,28,29)/t17-/m1/s1;
    CWYPIRLIVVXCBY-QGZVFWFLSA-N    		 CC[C@H](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3)c4n
    cn(C(C)C)c4n1; CCC(CO)Nc1nc(c2c(n1)n(cn2
    )C(C)C)Nc3ccc(cc3)c4ccccn4; CC[C@H](CO)N
    c1nc(c2c(n1)n(cn2)C(C)C)Nc3ccc(cc3)c4ccc
    cn4; CC[CH](CO)Nc1nc(Nc2ccc(cc2)c3ccccn3
    )c4ncn(C(C)C)c4n1    		 (2~{R})-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)amino]purin-2-yl]amino]butan-1-ol
    35241 RV7 0 C6 H13 N O4 InChI=1S/C6H13NO4/c1-2-3(
    7)4(8)5(9)6(10)11-2/h2-6,
    8-10H,7H2,1H3/t2-,3-,4+,5
    -,6+/m1/s1;
    RJKBJEZZABBYBA-DVKNGEFBSA-N    		 C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1N; C[C@
    @H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)N;
    C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]
    1N; CC1C(C(C(C(O1)O)O)O)N; C1(OC(C(C(C1O
    )O)N)C)O    		 4-amino-4,6-dideoxy-alpha-D-glucopyranose
    35242 RV8
    ZINC000003643619    		 1 C12 H15 N3 O6 InChI=1S/C12H15N3O6/c16-1
    0-13(1-7-4-19-7)11(17)15(
    3-9-6-21-9)12(18)14(10)2-
    8-5-20-8/h7-9H,1-6H2/t7-,
    8-,9-/m0/s1;
    OUPZKGBUJRBPGC-CIUDSAMLSA-N    		 C1[C@@H](O1)CN2C(=O)N(C(=O)N(C2=O)C[C@H]
    3CO3)C[C@H]4CO4; O=C1N(C[CH]2CO2)C(=O)N(
    C[CH]3CO3)C(=O)N1C[CH]4CO4; C1C(O1)CN2C(
    =O)N(C(=O)N(C2=O)CC3CO3)CC4CO4; O=C1N(C[
    C@H]2CO2)C(=O)N(C[C@H]3CO3)C(=O)N1C[C@H]
    4CO4    		 Triglycidyl isocyanurate;
    1,3,5-tris[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione
    35243 RVA
    ZINC000095920818    		 4 C16 H12 O6 InChI=1S/C16H12O6/c17-14-
    11(15(18)19)7-4-8-12(14)2
    2-13(16(20)21)9-10-5-2-1-
    3-6-10/h1-9,17H,(H,18,19)
    (H,20,21)/b13-9-;
    GJZVTQNBNWGGSJ-LCYFTJDESA-N    		 OC(=O)C(Oc1cccc(C(O)=O)c1O)=Cc2ccccc2; c
    1ccc(cc1)/C=C(/C(=O)O)\Oc2cccc(c2O)C(=O)
    O; c1ccc(cc1)C=C(C(=O)O)Oc2cccc(c2O)C(=O
    )O; OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/c2ccc
    cc2; O=C(O)c2cccc(O/C(C(=O)O)=C\c1ccccc1
    )c2O    		 3-{[(Z)-1-carboxy-2-phenylethenyl]oxy}-2-hydroxybenzoic acid
    35244 RVB
    ZINC000095920990    		 4 C13 H14 O6 InChI=1S/C13H14O6/c1-7(2)
    6-10(13(17)18)19-9-5-3-4-
    8(11(9)14)12(15)16/h3-7,1
    4H,1-2H3,(H,15,16)(H,17,1
    8)/b10-6-;
    JVNCGLFIPFSTSG-POHAHGRESA-N    		 CC(C)C=C(Oc1cccc(C(O)=O)c1O)C(O)=O; CC(C
    )\C=C(/Oc1cccc(C(O)=O)c1O)C(O)=O; O=C(O)
    c1cccc(O/C(C(=O)O)=C\C(C)C)c1O; CC(C)C=C
    (C(=O)O)Oc1cccc(c1O)C(=O)O; CC(C)/C=C(/C
    (=O)O)\Oc1cccc(c1O)C(=O)O    		 3-{[(1Z)-1-carboxy-3-methylbut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
    35245 RVC
    ZINC000095920672    		 4 C13 H12 O6 InChI=1S/C13H12O6/c14-11-
    8(12(15)16)2-1-3-9(11)19-
    10(13(17)18)6-7-4-5-7/h1-
    3,6-7,14H,4-5H2,(H,15,16)
    (H,17,18)/b10-6-;
    RBBOJHGNWUPRCK-POHAHGRESA-N    		 c1cc(c(c(c1)O/C(=C\C2CC2)/C(=O)O)O)C(=O)
    O; OC(=O)C(/Oc1cccc(C(O)=O)c1O)=C/C2CC2;
    c1cc(c(c(c1)OC(=CC2CC2)C(=O)O)O)C(=O)O;
    OC(=O)C(Oc1cccc(C(O)=O)c1O)=CC2CC2; O=C
    (O)c2c(O)c(O\C(=C/C1CC1)C(=O)O)ccc2    		 3-{[(Z)-1-carboxy-2-cyclopropylethenyl]oxy}-2-hydroxybenzoic acid
    35246 RVD
    ZINC000095921036    		 4 C12 H12 O6 InChI=1S/C12H12O6/c1-2-4-
    9(12(16)17)18-8-6-3-5-7(1
    0(8)13)11(14)15/h3-6,13H,
    2H2,1H3,(H,14,15)(H,16,17
    )/b9-4-;
    NMNSLXCRMLAOLT-WTKPLQERSA-N    		 CC/C=C(/C(=O)O)\Oc1cccc(c1O)C(=O)O; CCC=
    C(Oc1cccc(C(O)=O)c1O)C(O)=O; CCC=C(C(=O)
    O)Oc1cccc(c1O)C(=O)O; O=C(O)c1cccc(O/C(C
    (=O)O)=C\CC)c1O; CC\C=C(/Oc1cccc(C(O)=O)
    c1O)C(O)=O    		 3-{[(1Z)-1-carboxybut-1-en-1-yl]oxy}-2-hydroxybenzoic acid
    35247 RVE
    ZINC000087613188    		 2 C10 H8 O6 InChI=1S/C10H8O6/c1-5(9(1
    2)13)16-7-4-2-3-6(8(7)11)
    10(14)15/h2-4,11H,1H2,(H,
    12,13)(H,14,15);
    RFJWXQPFGYFIBS-UHFFFAOYSA-N    		 O=C(O)c1cccc(O/C(C(=O)O)=C)c1O; C=C(C(=O
    )O)Oc1cccc(c1O)C(=O)O; OC(=O)C(=C)Oc1ccc
    c(C(O)=O)c1O    		 3-[(1-carboxyethenyl)oxy]-2-hydroxybenzoic acid
    35248 RVF 1 C18 H14 N4 O4 InChI=1S/C18H14N4O4/c23-1
    6(9-5-6-13-14(7-9)22-18(2
    6)21-13)19-8-11-10-3-1-2-
    4-12(10)20-15(11)17(24)25
    /h1-7,20H,8H2,(H,19,23)(H
    ,24,25)(H2,21,22,26);
    XGVGMKBKRWQGTN-UHFFFAOYSA-N    		 c1ccc2c(c1)c(c([nH]2)C(=O)O)CNC(=O)c3ccc
    4c(c3)nc([nH]4)O; OC(=O)c1[nH]c2ccccc2c1
    CNC(=O)c3ccc4[nH]c(O)nc4c3; O=C(O)c1[NH]
    c2ccccc2c1CNC(=O)c1cc2nc(O)[NH]c2cc1    		 3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid
    35249 RVG 0 C8 H16 O5 InChI=1S/C8H16O5/c1-4-5(9
    )6(11-2)7(12-3)8(10)13-4/
    h4-10H,1-3H3/t4-,5-,6+,7-
    ,8-/m1/s1;
    SXWBIRCAXZNEGK-JAJWTYFOSA-N    		 OC1C(OC)C(OC)C(OC1C)O; CC1C(C(C(C(O1)O)O
    C)OC)O; CO[CH]1[CH](O)O[CH](C)[CH](O)[CH
    ]1OC; CO[C@H]1[C@H](O)O[C@H](C)[C@@H](O)
    [C@@H]1OC; C[C@@H]1[C@H]([C@@H]([C@H]([C
    @@H](O1)O)OC)OC)O    		 6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
    35250 RVH
    ZINC000036579810    		 6 C18 H16 N4 O2 InChI=1S/C18H16N4O2/c1-11
    (22-10-12-6-2-3-7-13(12)1
    7(22)24)16(23)21-18-19-14
    -8-4-5-9-15(14)20-18/h2-9
    ,11H,10H2,1H3,(H2,19,20,2
    1,23)/t11-/m1/s1;
    PWSSISUOJZBZFT-LLVKDONJSA-N    		 C[CH](N1Cc2ccccc2C1=O)C(=O)Nc3[nH]c4cccc
    c4n3; CC(C(=O)Nc1[nH]c2ccccc2n1)N3Cc4ccc
    cc4C3=O; C[C@@H](N1Cc2ccccc2C1=O)C(=O)Nc
    3[nH]c4ccccc4n3; C[C@H](C(=O)Nc1[nH]c2cc
    ccc2n1)N3Cc4ccccc4C3=O    		 (2~{R})-~{N}-(1~{H}-benzimidazol-2-yl)-2-(3-oxidanylidene-1~{H}-isoindol-2-yl)propanamide
    35251 RVI
    ZINC000072177973    		 1 C29 H37 N3 O InChI=1S/C29H37N3O/c1-3-9
    -23(29(33)31-19-21-11-5-4
    -6-12-21)17-25-18-24-16-2
    2(14-15-27(24)32-28(25)30
    )26-13-8-7-10-20(26)2/h7-
    8,10,13-16,18,21,23H,3-6,
    9,11-12,17,19H2,1-2H3,(H2
    ,30,32)(H,31,33)/t23-/m1/
    s1;
    KSRGIPYZQZCBMH-HSZRJFAPSA-N    		 CCC[CH](Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O
    )NCC4CCCCC4; CCC[C@H](Cc1cc2cc(ccc2nc1N)
    c3ccccc3C)C(=O)NCC4CCCCC4; O=C(NCC1CCCCC
    1)C(CCC)Cc2cc3cc(ccc3nc2N)c4ccccc4C; CCC
    C(Cc1cc2cc(ccc2nc1N)c3ccccc3C)C(=O)NCC4C
    CCCC4    		 (2R)-2-{[2-amino-6-(2-methylphenyl)quinolin-3-yl]methyl}-N-(cyclohexylmethyl)pentanamide;
    2-((2-Amino-6-o-tolylquinolin-3-yl)methyl)-N-(cyclohexylmethyl)pentanamide
    35252 RVJ 0 C3 H10 N4 O2 InChI=1S/C3H10N4O2/c4-2(3
    (8)9)1-6-7-5/h2,6-7H,1,4-
    5H2,(H,8,9)/t2-/m0/s1;
    CPNWKFOHPKABKD-REOHCLBHSA-N    		 NC(CNNN)C(=O)O; C(C(C(=O)O)N)NNN; NNNC[C
    @H](N)C(O)=O; C([C@@H](C(=O)O)N)NNN; NNN
    C[CH](N)C(O)=O    		 3-triazan-1-yl-L-alanine
    35253 RVK 3 C16 H25 N5 O14 P2 InChI=1S/C16H25N5O14P2/c1
    -30-16-12(25)10(23)7(34-1
    6)3-32-37(28,29)35-36(26,
    27)31-2-6-9(22)11(24)15(3
    3-6)21-5-20-8-13(17)18-4-
    19-14(8)21/h4-7,9-12,15-1
    6,22-25H,2-3H2,1H3,(H,26,
    27)(H,28,29)(H2,17,18,19)
    /t6-,7-,9-,10-,11-,12-,15
    -,16+/m1/s1;
    XNNSDOSOBTWHPT-DBXCYWGHSA-N    		 CO[C@@H]1[C@@H]([C@@H]([C@H](O1)COP(=O)(
    O)OP(=O)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O
    2)n3cnc4c3ncnc4N)O)O)O)O; CO[CH]1O[CH](C
    O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](
    O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O;
    CO[C@H]1O[C@H](CO[P](O)(=O)O[P](O)(=O)O
    C[C@H]2O[C@H]([C@H](O)[C@@H]2O)n3cnc4c(N
    )ncnc34)[C@@H](O)[C@H]1O; COC1C(C(C(O1)C
    OP(=O)(O)OP(=O)(O)OCC2C(C(C(O2)n3cnc4c3n
    cnc4N)O)O)O)O    		 Adenosine 5'-diphosphoric acid beta-[(3beta,4beta-dihydroxy-5beta-methoxytetrahydrofuran-2alpha-yl)methyl] estere;
    [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{S})-5-methoxy-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate;
    [[(2R,3S,4R,5R)-5-(6-Aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5S)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl hydrogen phosphate;
    J3.653.949F;
    alpha-1''-O-methyl-ADP ribose
    35254 RVL 2 C24 H21 Cl N4 O3 InChI=1S/C24H21ClN4O3/c1-
    26-23(32)24(8-9-24)29-13-
    19(18-10-15(25)6-7-17(18)
    22(29)31)21(30)28-20-12-2
    7-11-14-4-2-3-5-16(14)20/
    h2-7,10-12,19H,8-9,13H2,1
    H3,(H,26,32)(H,28,30)/t19
    -/m1/s1;
    IDFXYIJLVZRFSF-LJQANCHMSA-N    		 CNC(=O)C1(CC1)N2C[C@@H](C(=O)Nc3cncc4ccc
    cc34)c5cc(Cl)ccc5C2=O; CNC(=O)C1(CC1)N2C
    C(c3cc(ccc3C2=O)Cl)C(=O)Nc4cncc5c4cccc5;
    CNC(=O)C1(CC1)N2C[C@H](c3cc(ccc3C2=O)Cl
    )C(=O)Nc4cncc5c4cccc5; CNC(=O)C1(CC1)N1C
    C(c2cc(Cl)ccc2C1=O)C(=O)Nc1cncc2ccccc21;
    CNC(=O)C1(CC1)N2C[CH](C(=O)Nc3cncc4cccc
    c34)c5cc(Cl)ccc5C2=O    		 (4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35255 RVM 0 C8 H16 O4 InChI=1S/C8H16O4/c1-5-4-6
    (10-2)7(11-3)8(9)12-5/h5-
    9H,4H2,1-3H3/t5-,6+,7-,8+
    /m1/s1;
    MRHDSSSOHRLNIT-CWKFCGSDSA-N    		 CO[C@H]1C[C@@H](C)O[C@H](O)[C@@H]1OC; CC
    1CC(C(C(O1)O)OC)OC; C1C(OC)C(OC)C(OC1C)O
    ; C[C@@H]1C[C@@H]([C@H]([C@H](O1)O)OC)OC
    ; CO[CH]1C[CH](C)O[CH](O)[CH]1OC    		 4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose
    35256 RVN
    ZINC000095920891    		 4 C17 H11 N O5 InChI=1S/C17H11NO5/c19-16
    -11(10-3-1-2-4-12(10)18-1
    6)7-9-5-6-13-15(23-8-22-1
    3)14(9)17(20)21/h1-7H,8H2
    ,(H,18,19)(H,20,21)/b11-7
    +;
    GQWXHPXXCYSHJK-YRNVUSSQSA-N    		 c1ccc2c(c1)C(=Cc3ccc4c(c3C(=O)O)OCO4)C(=
    O)N2; OC(=O)c1c(ccc2OCOc12)\C=C3\C(=O)Nc
    4ccccc34; O=C2Nc1ccccc1/C2=C\c3ccc4OCOc4
    c3C(=O)O; c1ccc2c(c1)/C(=C\c3ccc4c(c3C(=
    O)O)OCO4)/C(=O)N2; OC(=O)c1c(ccc2OCOc12)
    C=C3C(=O)Nc4ccccc34    		 5-[(E)-(2-oxidanylidene-1H-indol-3-ylidene)methyl]-1,3-benzodioxole-4-carboxylic acid
    35257 RVO 1 C13 H14 Cl N5 O InChI=1S/C13H14ClN5O/c14-
    11-12(15)17-8-18-13(11)19
    -6-3-10(7-19)20-9-1-4-16-
    5-2-9/h1-2,4-5,8,10H,3,6-
    7H2,(H2,15,17,18)/t10-/m1
    /s1;
    SILGAHKEYSAGRL-SNVBAGLBSA-N    		 c1cnccc1OC2CCN(C2)c3c(c(ncn3)N)Cl; c1cnc
    cc1O[C@@H]2CCN(C2)c3c(c(ncn3)N)Cl; Clc1c
    (ncnc1N)N1CCC(C1)Oc1ccncc1; Nc1ncnc(N2CC
    [CH](C2)Oc3ccncc3)c1Cl; Nc1ncnc(N2CC[C@H
    ](C2)Oc3ccncc3)c1Cl    		 5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine
    35258 RVP
    CHEMBL1235764
    DB14663
    ZINC000012402859    		 6 C8 H13 N4 O8 P InChI=1S/C8H13N4O8P/c9-6(
    15)7-10-2-12(11-7)8-5(14)
    4(13)3(20-8)1-19-21(16,17
    )18/h2-5,8,13-14H,1H2,(H2
    ,9,15)(H2,16,17,18)/t3-,4
    -,5-,8-/m1/s1;
    SDWIOXKHTFOULX-AFCXAGJDSA-N    		 c1nc(nn1[C@H]2[C@@H]([C@@H]([C@H](O2)COP
    (=O)(O)O)O)O)C(=O)N; NC(=O)c1ncn(n1)[CH]
    2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O; O=C(
    c1ncn(n1)C2OC(C(O)C2O)COP(=O)(O)O)N; NC(
    =O)c1ncn(n1)[C@@H]2O[C@H](CO[P](O)(O)=O)
    [C@@H](O)[C@H]2O; c1nc(nn1C2C(C(C(O2)COP
    (=O)(O)O)O)O)C(=O)N    		 RIBAVIRIN MONOPHOSPHATE
    35259 RVQ 6 C20 H22 Cl2 N8 O InChI=1S/C20H22Cl2N8O/c1-
    11(2)30-10-24-17-18(27-20
    (28-19(17)30)29-3-5-31-6-
    4-29)23-9-16-25-14-7-12(2
    1)13(22)8-15(14)26-16/h7-
    8,10-11H,3-6,9H2,1-2H3,(H
    ,25,26)(H,23,27,28);
    DPCUNIIUTMKIKJ-UHFFFAOYSA-N    		 CC(C)n1cnc2c1nc(nc2NCc3[nH]c4cc(c(cc4n3)
    Cl)Cl)N5CCOCC5; CC(C)n1cnc2c(NCc3[nH]c4c
    c(Cl)c(Cl)cc4n3)nc(nc12)N5CCOCC5    		 ~{N}-[[5,6-bis(chloranyl)-1~{H}-benzimidazol-2-yl]methyl]-2-morpholin-4-yl-9-propan-2-yl-purin-6-amine
    35260 RVR 3 C18 H18 Cl N3 O3 S InChI=1S/C18H18ClN3O3S/c1
    9-12-5-6-17-14(7-12)15(9-
    21-26(17,24)25)18(23)22-1
    6-10-20-8-11-3-1-2-4-13(1
    1)16/h5-8,10,15,21H,1-4,9
    H2,(H,22,23)/t15-/m1/s1;
    HAFJUHKWFUKUJR-OAHLLOKOSA-N    		 Clc1ccc2c(c1)C(CNS2(=O)=O)C(=O)Nc1cncc2C
    CCCc21; c1cc2c(cc1Cl)[C@@H](CNS2(=O)=O)C
    (=O)Nc3cncc4c3CCCC4; c1cc2c(cc1Cl)C(CNS2
    (=O)=O)C(=O)Nc3cncc4c3CCCC4; Clc1ccc2c(c
    1)[CH](CN[S]2(=O)=O)C(=O)Nc3cncc4CCCCc34
    ; Clc1ccc2c(c1)[C@@H](CN[S]2(=O)=O)C(=O)
    Nc3cncc4CCCCc34    		 (4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35261 RVS 2 C22 H23 N3 O4 InChI=1S/C22H23N3O4/c26-2
    0(14-5-8-15(9-6-14)23-22(
    29)24-16-10-11-16)25-19-1
    7-4-2-1-3-13(17)7-12-18(1
    9)21(27)28/h1-6,8-9,16,18
    -19H,7,10-12H2,(H,25,26)(
    H,27,28)(H2,23,24,29)/t18
    -,19+/m0/s1;
    BJZXTCJBAZHJRX-RBUKOAKNSA-N    		 c1ccc2c(c1)CCC(C2NC(=O)c3ccc(cc3)NC(=O)N
    C4CC4)C(=O)O; c1ccc2c(c1)CC[C@@H]([C@@H]
    2NC(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O; OC
    (=O)[CH]1CCc2ccccc2[CH]1NC(=O)c3ccc(NC(=
    O)NC4CC4)cc3; O=C(NC1CC1)Nc1ccc(cc1)C(=O
    )NC1c2ccccc2CCC1C(=O)O; OC(=O)[C@H]1CCc2
    ccccc2[C@H]1NC(=O)c3ccc(NC(=O)NC4CC4)cc3    		 (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
    35262 RVU
    ZINC000006657560    		 6 C20 H20 N4 O3 InChI=1S/C20H20N4O3/c1-12
    -7-8-17(27-2)16(9-12)24-1
    1-13(10-18(24)25)19(26)23
    -20-21-14-5-3-4-6-15(14)2
    2-20/h3-9,13H,10-11H2,1-2
    H3,(H2,21,22,23,26)/t13-/
    m0/s1;
    XSNQFQPVHIAZMA-ZDUSSCGKSA-N    		 Cc1ccc(c(c1)N2CC(CC2=O)C(=O)Nc3[nH]c4ccc
    cc4n3)OC; COc1ccc(C)cc1N2C[CH](CC2=O)C(=
    O)Nc3[nH]c4ccccc4n3; COc1ccc(C)cc1N2C[C@
    H](CC2=O)C(=O)Nc3[nH]c4ccccc4n3    		 ~{N}-(1~{H}-benzimidazol-2-yl)-1-(2-methoxy-5-methyl-phenyl)-5-oxidanylidene-pyrrolidine-3-carboxamide
    35263 RVV
    CHEMBL5286019
    ZINC000008294954    		 2 C7 H9 N InChI=1S/C7H9N/c1-6-3-4-8
    -7(2)5-6/h3-5H,1-2H3;
    JYYNAJVZFGKDEQ-UHFFFAOYSA-N    		 Cc1ccnc(c1)C; Cc1cc(C)ncc1; Cc1ccnc(C)c1 2,4-dimethylpyridine
    35264 RVW 1 C6 H12 O5 S InChI=1S/C6H12O5S/c7-1-2-
    3(8)4(9)5(10)6(12)11-2/h2
    -10,12H,1H2/t2-,3-,4+,5-,
    6-/m0/s1;
    JUSMHIGDXPKSID-QYESYBIKSA-N    		 OC[C@@H]1O[C@@H](S)[C@@H](O)[C@H](O)[C@H
    ]1O; C([C@H]1[C@@H]([C@H]([C@@H]([C@@H](
    O1)S)O)O)O)O; C(C1C(C(C(C(O1)S)O)O)O)O;
    OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O    		 (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol;
    thioglucose
    35265 RVX
    ZINC000098209381    		 0 C8 H18 N O5 P InChI=1S/C8H18NO5P/c1-6(2
    )4-13-15(3,12)14-5-7(9)8(
    10)11/h6-7H,4-5,9H2,1-3H3
    ,(H,10,11)/t7-,15+/m0/s1;
    LKLIFUVJCVCJGG-NZFNHWASSA-N    		 CC(C)CO[P](C)(=O)OC[CH](N)C(O)=O; CC(C)C
    O[P@@](C)(=O)OC[C@H](N)C(O)=O; O=C(O)C(N
    )COP(=O)(OCC(C)C)C; CC(C)COP(=O)(C)OCC(C
    (=O)O)N; CC(C)CO[P@](=O)(C)OC[C@@H](C(=O
    )O)N    		 O-[methyl(2-methylpropoxy)phosphoryl]-L-serine
    35266 RVY 1 C14 H14 N4 O2 InChI=1S/C14H14N4O2/c1-14
    (12(19)7-13(20)15-14)8-10
    -9-18(17-16-10)11-5-3-2-4
    -6-11/h2-6,9H,7-8H2,1H3,(
    H,15,20)/t14-/m0/s1;
    JRHLMUQJOCQPQH-AWEZNQCLSA-N    		 C[C@@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3
    ; n2(c1ccccc1)cc(nn2)CC3(C(CC(N3)=O)=O)C
    ; C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O;
    C[C@@]1(Cc2cn(nn2)c3ccccc3)NC(=O)CC1=O;
    CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccccc3    		 (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
    35267 RVZ
    CHEMBL124345
    ZINC000013580865    		 1 C17 H12 N6 S InChI=1S/C17H12N6S/c18-8-
    12-15(11-4-2-1-3-5-11)13(
    9-19)17(23-16(12)20)24-10
    -14-21-6-7-22-14/h1-7H,10
    H2,(H2,20,23)(H,21,22);
    MUJWBVGOOQHTTJ-UHFFFAOYSA-N    		 Nc1nc(SCc2[nH]ccn2)c(C#N)c(c3ccccc3)c1C#
    N; c1ccc(cc1)c2c(c(nc(c2C#N)SCc3[nH]ccn3
    )N)C#N    		 2-azanyl-6-(1~{H}-imidazol-2-ylmethylsulfanyl)-4-phenyl-pyridine-3,5-dicarbonitrile
    35268 RW0 2 C24 H23 Cl N4 O5 S InChI=1S/C24H23ClN4O5S/c1
    -13-22(19-9-15(25)4-6-18(
    19)24(32)29(13)12-21(30)2
    6-2)23(31)28-20-11-27-10-
    14-8-16(35(3,33)34)5-7-17
    (14)20/h4-11,13,22H,12H2,
    1-3H3,(H,26,30)(H,28,31)/
    t13-,22-/m1/s1;
    MZGOULQVWGBQGW-MCMMXHMISA-N    		 CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)C1c2cc(C
    l)ccc2C(=O)N(CC(=O)NC)C1C; CC1C(c2cc(ccc
    2C(=O)N1CC(=O)NC)Cl)C(=O)Nc3cncc4c3ccc(c
    4)S(=O)(=O)C; CNC(=O)CN1[C@H](C)[C@@H](C
    (=O)Nc2cncc3cc(ccc23)[S](C)(=O)=O)c4cc(C
    l)ccc4C1=O; C[C@@H]1[C@H](c2cc(ccc2C(=O)
    N1CC(=O)NC)Cl)C(=O)Nc3cncc4c3ccc(c4)S(=O
    )(=O)C; CNC(=O)CN1[CH](C)[CH](C(=O)Nc2cn
    cc3cc(ccc23)[S](C)(=O)=O)c4cc(Cl)ccc4C1=
    O    		 (3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
    35269 RW1
    CHEMBL1235765
    ZINC000000331735    		 12 C10 H8 N2 InChI=1S/C10H8N2/c1-2-4-9
    (5-3-1)10-6-7-11-8-12-10/
    h1-8H;
    MKLQPIYLZMLAER-UHFFFAOYSA-N    		 c1ccc(cc1)c2ccncn2; n1ccc(nc1)c2ccccc2 4-phenylpyrimidine;
    6-phenylpyrimidine
    35270 RW2
    ZINC000220951490    		 24 C15 H19 N2 O9 P InChI=1S/C15H19N2O9P/c1-7
    -13(18)11(9(4-16-7)6-26-2
    7(23,24)25)5-17-12-3-8(14
    (19)20)2-10(12)15(21)22/h
    4,8,17-18H,2-3,5-6H2,1H3,
    (H,19,20)(H,21,22)(H2,23,
    24,25)/t8-/m0/s1;
    VNQKGJPXVHNUEY-QMMMGPOBSA-N    		 Cc1c(c(c(cn1)COP(=O)(O)O)CNC2=C(CC(C2)C(
    =O)O)C(=O)O)O; Cc1c(c(c(cn1)COP(=O)(O)O)
    CNC2=C(C[C@@H](C2)C(=O)O)C(=O)O)O; Cc1nc
    c(CO[P](O)(O)=O)c(CNC2=C(C[CH](C2)C(O)=O
    )C(O)=O)c1O; Cc1ncc(CO[P](O)(O)=O)c(CNC2
    =C(C[C@@H](C2)C(O)=O)C(O)=O)c1O; O=C(O)C
    2=C(NCc1c(cnc(c1O)C)COP(=O)(O)O)CC(C(=O)
    O)C2    		 (1S)-4-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]cyclopent-3-ene-1,3-dicarboxylic acid
    35271 RW3
    CHEMBL1213117
    ZINC000051768790    		 1 C29 H28 N10 O S InChI=1S/C29H28N10OS/c1-1
    7(40)33-29-35-22-8-7-19(1
    4-23(22)41-29)25-24-26(30
    )31-16-32-28(24)39(36-25)
    15-20-13-18-5-3-4-6-21(18
    )34-27(20)38-11-9-37(2)10
    -12-38/h3-8,13-14,16H,9-1
    2,15H2,1-2H3,(H2,30,31,32
    )(H,33,35,40);
    PROYLAOFEKHQGS-UHFFFAOYSA-N    		 CC(=O)Nc1nc2ccc(cc2s1)c3c4c(ncnc4n(n3)Cc
    5cc6ccccc6nc5N7CCN(CC7)C)N; O=C(Nc1nc2cc
    c(cc2s1)c4nn(c3ncnc(N)c34)Cc6cc7ccccc7nc
    6N5CCN(C)CC5)C; CN1CCN(CC1)c2nc3ccccc3cc
    2Cn4nc(c5ccc6nc(NC(C)=O)sc6c5)c7c(N)ncnc
    47    		 N-[6-(4-amino-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzothiazol-2-yl]acetamide
    35272 RW4
    CHEMBL1213118
    ZINC000058548488    		 1 C27 H26 N10 S InChI=1S/C27H26N10S/c1-35
    -8-10-36(11-9-35)25-18(12
    -16-4-2-3-5-19(16)32-25)1
    4-37-26-22(24(28)30-15-31
    -26)23(34-37)17-6-7-20-21
    (13-17)38-27(29)33-20/h2-
    7,12-13,15H,8-11,14H2,1H3
    ,(H2,29,33)(H2,28,30,31);
    UNSGOTITAWKECZ-UHFFFAOYSA-N    		 CN1CCN(CC1)c2nc3ccccc3cc2Cn4nc(c5ccc6nc(
    N)sc6c5)c7c(N)ncnc47; CN1CCN(CC1)c2c(cc3
    ccccc3n2)Cn4c5c(c(n4)c6ccc7c(c6)sc(n7)N)
    c(ncn5)N; n1c2ccc(cc2sc1N)c4nn(c3ncnc(N)
    c34)Cc6cc7ccccc7nc6N5CCN(C)CC5    		 3-(2-amino-1,3-benzothiazol-6-yl)-1-{[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl}-1H-pyrazolo[3,4-d]pyrimidin-4-amine
    35273 RW5 1 C18 H20 N4 O2 InChI=1S/C18H20N4O2/c1-11
    -6-8-22(14(9-11)15-4-3-12
    (2)24-15)18(23)16-13-5-7-
    19-17(13)21-10-20-16/h3-5
    ,7,10-11,14H,6,8-9H2,1-2H
    3,(H,19,20,21)/t11-,14-/m
    0/s1;
    ZHFXJVHZUDTZGC-FZMZJTMJSA-N    		 C[C@H]1CCN([C@@H](C1)c2oc(C)cc2)C(=O)c3n
    cnc4[nH]ccc34; CC1CCN(C(C1)c1ccc(C)o1)C(
    =O)c1ncnc2[NH]ccc21; Cc1ccc(o1)[C@@H]2C[
    C@H](CCN2C(=O)c3c4cc[nH]c4ncn3)C; Cc1ccc
    (o1)C2CC(CCN2C(=O)c3c4cc[nH]c4ncn3)C; C[
    CH]1CCN([CH](C1)c2oc(C)cc2)C(=O)c3ncnc4[
    nH]ccc34    		 [(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone
    35274 RW6
    ZINC000022277662    		 4 C18 H19 N3 O3 S InChI=1S/C18H19N3O3S/c1-2
    3-14-7-12-13(8-15(14)24-2
    )19-17(20-18(12)22)10-21-
    5-3-16-11(9-21)4-6-25-16/
    h4,6-8H,3,5,9-10H2,1-2H3,
    (H,19,20,22);
    OKUZLQSVACVDFQ-UHFFFAOYSA-N    		 COc1cc2N=C(CN3CCc4sccc4C3)NC(=O)c2cc1OC;
    COc1cc2c(cc1OC)N=C(NC2=O)CN3CCc4c(ccs4)
    C3    		 2-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-ylmethyl)-6,7-dimethoxy-3~{H}-quinazolin-4-one
    35275 RW7 1 C14 H18 N2 O2 InChI=1S/C14H18N2O2/c1-4-
    9-14(2)13(18)15-11-8-6-5-
    7-10(11)12(17)16(14)3/h5-
    8H,4,9H2,1-3H3,(H,15,18)/
    t14-/m0/s1;
    CNQOZARVGPMUHF-AWEZNQCLSA-N    		 CCC[C]1(C)N(C)C(=O)c2ccccc2NC1=O; N2c1cc
    ccc1C(=O)N(C)C(C)(CCC)C2=O; CCC[C@]1(C(=
    O)Nc2ccccc2C(=O)N1C)C; CCCC1(C(=O)Nc2ccc
    cc2C(=O)N1C)C; CCC[C@]1(C)N(C)C(=O)c2ccc
    cc2NC1=O    		 (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
    35276 RW8
    CHEMBL5084693
    ZINC000000027609    		 1 C13 H15 N O3 InChI=1S/C13H15NO3/c1-17-
    13(16)7-6-12(15)14-9-8-10
    -4-2-3-5-11(10)14/h2-5H,6
    -9H2,1H3;
    AYMVNVWATJUROX-UHFFFAOYSA-N    		 COC(=O)CCC(=O)N1CCc2c1cccc2; COC(=O)CCC(
    =O)N1CCc2ccccc12    		 methyl 4-(2,3-dihydroindol-1-yl)-4-oxidanylidene-butanoate
    35277 RW9 2 C24 H21 Cl N4 O3 InChI=1S/C24H21ClN4O3/c1-
    26-21(30)13-28-14-24(19-1
    0-16(25)6-7-18(19)22(28)3
    1)8-9-29(23(24)32)20-12-2
    7-11-15-4-2-3-5-17(15)20/
    h2-7,10-12H,8-9,13-14H2,1
    H3,(H,26,30)/t24-/m1/s1;
    ZIZXURDLSUGNHT-XMMPIXPASA-N    		 CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4ccccc34
    )c5cc(Cl)ccc5C1=O; CNC(=O)CN1CC2(CCN(C2=
    O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl; CNC(=
    O)CN1CC2(CCN(C2=O)c2cncc3ccccc32)c2cc(Cl
    )ccc2C1=O; CNC(=O)CN1C[C]2(CCN(C2=O)c3cn
    cc4ccccc34)c5cc(Cl)ccc5C1=O; CNC(=O)CN1C
    [C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C
    1=O)Cl    		 2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    35278 RWA 2 C16 H18 N4 O2 InChI=1S/C16H18N4O2/c1-15
    (2)13(21)16(3,17-14(15)22
    )9-11-10-20(19-18-11)12-7
    -5-4-6-8-12/h4-8,10H,9H2,
    1-3H3,(H,17,22)/t16-/m1/s
    1;
    ZHXFDNRJCWLCGX-MRXNPFEDSA-N    		 n3n(c1ccccc1)cc(CC2(NC(=O)C(C2=O)(C)C)C)
    n3; C[C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C(C)
    (C)C1=O; C[C]1(Cc2cn(nn2)c3ccccc3)NC(=O)
    C(C)(C)C1=O; CC1(C(=O)C(NC1=O)(C)Cc2cn(n
    n2)c3ccccc3)C; C[C@]1(C(=O)C(C(=O)N1)(C)
    C)Cc2cn(nn2)c3ccccc3    		 (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione
    35279 RWB
    ZINC000072099668    		 5 C25 H52 O13 InChI=1S/C25H52O13/c1-27-
    4-5-29-8-9-31-12-13-33-16
    -17-35-20-21-37-24-25-38-
    23-22-36-19-18-34-15-14-3
    2-11-10-30-7-6-28-3-2-26/
    h26H,2-25H2,1H3;
    PLQZJIIDLZRWBG-UHFFFAOYSA-N    		 COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO dodecaethylene glycol monomethyl ether;
    PEG-MME fragment n=12;
    polyethylene glycol monomethyl ether fragment n=12;
    PEG 550 MME
    35280 RWC 1 C21 H21 N3 O4 InChI=1S/C21H21N3O4/c25-1
    9(13-5-7-16(8-6-13)22-21(
    28)23-17-9-10-17)24-12-15
    (20(26)27)11-14-3-1-2-4-1
    8(14)24/h1-8,15,17H,9-12H
    2,(H,26,27)(H2,22,23,28)/
    t15-/m0/s1;
    AOHBVEDXTIZALI-HNNXBMFYSA-N    		 OC(=O)[CH]1CN(C(=O)c2ccc(NC(=O)NC3CC3)cc
    2)c4ccccc4C1; OC(=O)[C@@H]1CN(C(=O)c2ccc
    (NC(=O)NC3CC3)cc2)c4ccccc4C1; c1ccc2c(c1
    )CC(CN2C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)
    O; O=C(NC1CC1)Nc1ccc(cc1)C(=O)N1CC(Cc2cc
    ccc21)C(=O)O; c1ccc2c(c1)C[C@@H](CN2C(=O
    )c3ccc(cc3)NC(=O)NC4CC4)C(=O)O    		 (3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid
    35281 RWD 1 C14 H16 N4 O2 InChI=1S/C14H16N4O2/c1-14
    (12(19)7-13(20)15-14)8-10
    -9-18(17-16-10)11-5-3-2-4
    -6-11/h2-6,9,12,19H,7-8H2
    ,1H3,(H,15,20)/t12-,14+/m
    0/s1;
    UILOQPSPJQYNHO-GXTWGEPZSA-N    		 C[C@]1([C@H](CC(=O)N1)O)Cc2cn(nn2)c3cccc
    c3; n1(cc(nn1)CC2(C)NC(CC2O)=O)c3ccccc3;
    CC1(C(CC(=O)N1)O)Cc2cn(nn2)c3ccccc3; C[
    C]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[CH]1O; C[
    C@]1(Cc2cn(nn2)c3ccccc3)NC(=O)C[C@@H]1O    		 (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one
    35282 RWE 4 C23 H28 N6 O InChI=1S/C23H28N6O/c1-4-1
    9(13-30)26-23-27-21(20-22
    (28-23)29(14-25-20)15(2)3
    )24-12-16-9-10-17-7-5-6-8
    -18(17)11-16/h5-11,14-15,
    19,30H,4,12-13H2,1-3H3,(H
    2,24,26,27,28)/t19-/m1/s1;
    WKFFSBIHJSFZMR-LJQANCHMSA-N    		 CC[C@H](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(
    C(C)C)c4n1; CCC(CO)Nc1nc(c2c(n1)n(cn2)C(
    C)C)NCc3ccc4ccccc4c3; CC[C@H](CO)Nc1nc(c
    2c(n1)n(cn2)C(C)C)NCc3ccc4ccccc4c3; CC[C
    H](CO)Nc1nc(NCc2ccc3ccccc3c2)c4ncn(C(C)C
    )c4n1    		 (2~{R})-2-[[6-(naphthalen-2-ylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35283 RWF
    CHEMBL251073
    DB08496
    ZINC000084589076    		 5 C19 H16 O4 InChI=1S/C19H16O4/c1-12(2
    0)11-15(13-7-3-2-4-8-13)1
    7-18(21)14-9-5-6-10-16(14
    )23-19(17)22/h2-10,15,21H
    ,11H2,1H3/t15-/m1/s1;
    PJVWKTKQMONHTI-OAHLLOKOSA-N    		 CC(=O)C[C@H](c1ccccc1)C2=C(c3ccccc3OC2=O
    )O; CC(=O)C[C@H](c1ccccc1)C2=C(O)c3ccccc
    3OC2=O; CC(=O)C[CH](c1ccccc1)C2=C(O)c3cc
    ccc3OC2=O; CC(=O)CC(c1ccccc1)C2=C(c3cccc
    c3OC2=O)O; O=C(C)CC(C1=C(O)c2c(OC1=O)ccc
    c2)c3ccccc3    		 R-WARFARIN
    35284 RWG 2 C14 H13 F N4 O2 InChI=1S/C14H13FN4O2/c1-1
    4(12(20)6-13(21)16-14)7-1
    0-8-19(18-17-10)11-4-2-9(
    15)3-5-11/h2-5,8H,6-7H2,1
    H3,(H,16,21)/t14-/m1/s1;
    UUBOMXRWPFJYHC-CQSZACIVSA-N    		 C[C@]1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(cc3
    )F; C[C@]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)C
    C1=O; C[C]1(Cc2cn(nn2)c3ccc(F)cc3)NC(=O)
    CC1=O; n2nn(c1ccc(F)cc1)cc2CC3(C)NC(=O)C
    C3=O; CC1(C(=O)CC(=O)N1)Cc2cn(nn2)c3ccc(
    cc3)F    		 (5R)-5-{[1-(4-fluorophenyl)-1H-1,2,3-triazol-4-yl]methyl}-5-methylpyrrolidine-2,4-dione
    35285 RWH
    CHEMBL5086638    		 1 C16 H19 N3 O3 S InChI=1S/C16H19N3O3S/c1-1
    9(11-10-13-6-3-2-4-7-13)1
    6(20)18-14-8-5-9-15(12-14
    )23(17,21)22/h2-9,12H,10-
    11H2,1H3,(H,18,20)(H2,17,
    21,22);
    ODXMSWVMIFFZON-UHFFFAOYSA-N    		 CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)
    =O; CN(CCc1ccccc1)C(=O)Nc2cccc(c2)S(=O)(
    =O)N    		 3-(3-methyl-3-phenethylureido)benzenesulfonamide;
    1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea
    35286 RWI 1 C11 H18 N2 O11 InChI=1S/C11H18N2O11/c14-
    2-4-7(17)8(18)6(12-11(21)
    13-22)10(24-4)23-3(9(19)2
    0)1-5(15)16/h3-4,6-8,10,1
    4,17-18,22H,1-2H2,(H,15,1
    6)(H,19,20)(H2,12,13,21)/
    t3-,4+,6+,7+,8+,10-/m0/s1;
    QOPUTRBEPJZLTE-NKQVSKEESA-N    		 OC[C@H]1O[C@H](O[C@@H](CC(O)=O)C(O)=O)[C
    @H](NC(=O)NO)[C@@H](O)[C@@H]1O; O=C(NC1C
    (O)C(O)C(CO)OC1OC(C(=O)O)CC(O)=O)NO; C([
    C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H
    ](CC(=O)O)C(=O)O)NC(=O)NO)O)O)O; OC[CH]1
    O[CH](O[CH](CC(O)=O)C(O)=O)[CH](NC(=O)NO
    )[CH](O)[CH]1O; C(C1C(C(C(C(O1)OC(CC(=O)
    O)C(=O)O)NC(=O)NO)O)O)O    		 (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucopyranosyl}oxy)butanedioic acid;
    (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-alpha-D-glucosyl}oxy)butanedioic acid;
    (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-D-glucosyl}oxy)butanedioic acid;
    (2S)-2-({2-deoxy-2-[(hydroxycarbamoyl)amino]-glucosyl}oxy)butanedioic acid
    35287 RWJ
    CHEMBL164138
    DB03251
    ZINC000012503351    		 1 C19 H25 N5 O2 S InChI=1S/C19H25N5O2S/c20-
    19(21)22-11-5-9-14(23-17(
    26)12-6-1-2-7-12)16(25)18
    -24-13-8-3-4-10-15(13)27-
    18/h3-4,8,10,12,14H,1-2,5
    -7,9,11H2,(H,23,26)(H4,20
    ,21,22)/t14-/m0/s1;
    NQABUEUFRXDDFI-AWEZNQCLSA-N    		 NC(=N)NCCC[CH](NC(=O)C1CCCC1)C(=O)c2sc3c
    cccc3n2; c1ccc2c(c1)nc(s2)C(=O)C(CCCNC(=
    N)N)NC(=O)C3CCCC3; c1ccc2c(c1)nc(s2)C(=O
    )[C@H](CCCNC(=N)N)NC(=O)C3CCCC3; NC(=N)N
    CCC[C@H](NC(=O)C1CCCC1)C(=O)c2sc3ccccc3n
    2; O=C(NC(C(=O)c1nc2ccccc2s1)CCCNC(=[N@H
    ])N)C3CCCC3    		 CYCLOPENTANECARBOXYLIC ACID [1-(BENZOTHIAZOLE-2-CARBONYL)-4-GUANIDINO-BUTYL]-AMIDE;
    RWJ-51084
    35288 RWL 1 C9 H8 Cl N7 S InChI=1S/C9H8ClN7S/c10-8-
    14-4(2-18-8)1-17-3-13-5-6
    (11)15-9(12)16-7(5)17/h2-
    3H,1H2,(H4,11,12,15,16);
    QGSVLNUQBAPFJD-UHFFFAOYSA-N    		 c1c(nc(s1)Cl)Cn2cnc3c2nc(nc3N)N; Nc1nc(N
    )c2ncn(Cc3csc(Cl)n3)c2n1; Clc1nc(Cn2cnc3
    c(N)nc(N)nc23)cs1    		 9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
    35289 RWM 1 C15 H14 N2 O3 InChI=1S/C15H14N2O3/c1-15
    (13(18)8-14(19)16-15)9-11
    -7-12(17-20-11)10-5-3-2-4
    -6-10/h2-7H,8-9H2,1H3,(H,
    16,19)/t15-/m0/s1;
    QYMOUPYIBHTJEC-HNNXBMFYSA-N    		 n2c(cc(CC1(C)NC(CC1=O)=O)o2)c3ccccc3; C[
    C]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O; C[C@
    @]1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3; CC
    1(C(=O)CC(=O)N1)Cc2cc(no2)c3ccccc3; C[C@
    @]1(Cc2onc(c2)c3ccccc3)NC(=O)CC1=O    		 (5S)-5-methyl-5-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrrolidine-2,4-dione
    35290 RWN 6 C22 H32 N6 O InChI=1S/C22H32N6O/c1-5-1
    8(13-29)25-22-26-20(19-21
    (27-22)28(14-24-19)15(2)3
    )23-11-7-10-17-9-6-8-16(4
    )12-17/h6,8-9,12,14-15,18
    ,29H,5,7,10-11,13H2,1-4H3
    ,(H2,23,25,26,27)/t18-/m1
    /s1;
    IAQVCGQJJMTIMM-GOSISDBHSA-N    		 CCC(CO)Nc1nc(c2c(n1)n(cn2)C(C)C)NCCCc3cc
    cc(c3)C; CC[C@H](CO)Nc1nc(c2c(n1)n(cn2)C
    (C)C)NCCCc3cccc(c3)C; CC[C@H](CO)Nc1nc(N
    CCCc2cccc(C)c2)c3ncn(C(C)C)c3n1; CC[CH](
    CO)Nc1nc(NCCCc2cccc(C)c2)c3ncn(C(C)C)c3n
    1    		 (2~{R})-2-[[6-[3-(3-methylphenyl)propylamino]-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
    35291 RWO 2 C19 H20 Cl N3 O3 S InChI=1S/C19H20ClN3O3S/c1
    -19(11-22-27(25,26)17-7-6
    -13(20)8-15(17)19)18(24)2
    3-16-10-21-9-12-4-2-3-5-1
    4(12)16/h6-10,22H,2-5,11H
    2,1H3,(H,23,24)/t19-/m0/s
    1;
    OLOUVJHSJAVGMH-IBGZPJMESA-N    		 C[C@@]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)
    Nc3cncc4CCCCc34; C[C@@]1(CNS(=O)(=O)c2c1
    cc(cc2)Cl)C(=O)Nc3cncc4c3CCCC4; C[C]1(CN
    [S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CC
    CCc34; CC1(CNS(=O)(=O)c2c1cc(cc2)Cl)C(=O
    )Nc3cncc4c3CCCC4; Clc1ccc2c(c1)C(C)(CNS2
    (=O)=O)C(=O)Nc1cncc2CCCCc21    		 (4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35292 RWP
    ZINC000000283931    		 3 C10 H8 F3 N O3 InChI=1S/C10H8F3NO3/c1-17
    -8(15)6-2-4-7(5-3-6)14-9(
    16)10(11,12)13/h2-5H,1H3,
    (H,14,16);
    MDDVOSSRTNAXHJ-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)NC(=O)C(F)(F)F; c1cc(cc
    c1NC(=O)C(F)(F)F)C(=O)OC; COC(=O)c1ccc(N
    C(=O)C(F)(F)F)cc1    		 methyl 4-[(trifluoroacetyl)amino]benzoate
    35293 RWQ 1 C16 H17 F N4 O InChI=1S/C16H17FN4O/c17-1
    1-3-4-12-13(6-11)20-15-14
    (12)16(19-9-18-15)21-5-1-
    2-10(7-21)8-22/h3-4,6,9-1
    0,22H,1-2,5,7-8H2,(H,18,1
    9,20)/t10-/m1/s1;
    LEHSMGCFXRLFLE-SNVBAGLBSA-N    		 Fc1ccc2c3c(ncnc3[NH]c2c1)N1CCCC(CO)C1; c
    1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCCC(C4)CO;
    c1cc2c(cc1F)[nH]c3c2c(ncn3)N4CCC[C@H](C4
    )CO; OC[C@@H]1CCCN(C1)c2ncnc3[nH]c4cc(F)
    ccc4c23; OC[CH]1CCCN(C1)c2ncnc3[nH]c4cc(
    F)ccc4c23    		 [(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol
    35294 RWR 7 C25 H30 O4 InChI=1S/C25H30O4/c1-15-7
    -11-19(16-8-9-16)22(21(15
    )23(24(26)27)29-25(2,3)4)
    18-10-12-20-17(14-18)6-5-
    13-28-20/h7,10-12,14,16,2
    3H,5-6,8-9,13H2,1-4H3,(H,
    26,27)/t23-/m0/s1;
    UDFCYQOJPMKLMT-QHCPKHFHSA-N    		 Cc1ccc(c(c1[C@@H](C(=O)O)OC(C)(C)C)c2ccc
    3c(c2)CCCO3)C4CC4; Cc1ccc(c(c1C(C(=O)O)O
    C(C)(C)C)c2ccc3c(c2)CCCO3)C4CC4; Cc1ccc(
    C2CC2)c(c3ccc4OCCCc4c3)c1[CH](OC(C)(C)C)
    C(O)=O; Cc1ccc(C2CC2)c(c3ccc4OCCCc4c3)c1
    [C@H](OC(C)(C)C)C(O)=O    		 (2S)-2-[3-cyclopropyl-2-(3,4-dihydro-2H-chromen-6-yl)-6-methyl-phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanoic acid
    35295 RWS
    ZINC000084291760    		 7 C8 H13 N3 S InChI=1S/C8H13N3S/c1-7-9-
    10-8(12-7)11-5-3-2-4-6-11
    /h2-6H2,1H3;
    IIDJDXATFNHHGO-UHFFFAOYSA-N    		 Cc1nnc(s1)N2CCCCC2; Cc1sc(nn1)N2CCCCC2;
    n1nc(C)sc1N2CCCCC2    		 1-(5-methyl-1,3,4-thiadiazol-2-yl)piperidine
    35296 RWT 2 C19 H20 Cl N3 O3 S InChI=1S/C19H20ClN3O3S/c1
    -19(11-22-27(25,26)17-7-6
    -13(20)8-15(17)19)18(24)2
    3-16-10-21-9-12-4-2-3-5-1
    4(12)16/h6-10,22H,2-5,11H
    2,1H3,(H,23,24)/t19-/m1/s
    1;
    OLOUVJHSJAVGMH-LJQANCHMSA-N    		 C[C]1(CN[S](=O)(=O)c2ccc(Cl)cc12)C(=O)Nc
    3cncc4CCCCc34; CC1(CNS(=O)(=O)c2c1cc(cc2
    )Cl)C(=O)Nc3cncc4c3CCCC4; C[C@]1(CN[S](=
    O)(=O)c2ccc(Cl)cc12)C(=O)Nc3cncc4CCCCc34
    ; Clc1ccc2c(c1)C(C)(CNS2(=O)=O)C(=O)Nc1c
    ncc2CCCCc21; C[C@]1(CNS(=O)(=O)c2c1cc(cc
    2)Cl)C(=O)Nc3cncc4c3CCCC4    		 (4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide
    35297 RWV
    CHEMBL4521589
    ZINC000044511794    		 2 C11 H19 N3 S InChI=1S/C11H19N3S/c1-9-1
    3-11(8-15-9)7-14-4-2-10(6
    -12)3-5-14/h8,10H,2-7,12H
    2,1H3;
    ZEYZIFKDRCDRKU-UHFFFAOYSA-N    		 N1(CCC(CC1)CN)Cc2csc(n2)C; Cc1nc(cs1)CN2
    CCC(CC2)CN; Cc1scc(CN2CCC(CN)CC2)n1    		 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine
    35298 RWX
    ZINC000068207424    		 4 C19 H21 Br Cl N7 O4 S InChI=1S/C19H21BrClN7O4S/
    c1-8-12(21)11(20)13(24-8)
    17(29)25-9-4-5-28(6-10(9)
    32-3)19-26-14(15(33-19)18
    (30)31)16-22-7-23-27(16)2
    /h7,9-10,24H,4-6H2,1-3H3,
    (H,25,29)(H,30,31)/t9-,10
    +/m1/s1;
    IXOKPDRRYHAGRW-ZJUUUORDSA-N    		 Brc1c(Cl)c(nc1C(=O)NC4C(OC)CN(c2nc(c(s2)
    C(=O)O)c3ncnn3C)CC4)C; Cc1c(c(c([nH]1)C(
    =O)NC2CCN(CC2OC)c3nc(c(s3)C(=O)O)c4ncnn4
    C)Br)Cl; Cc1c(c(c([nH]1)C(=O)N[C@@H]2CCN
    (C[C@@H]2OC)c3nc(c(s3)C(=O)O)c4ncnn4C)Br
    )Cl; CO[CH]1CN(CC[CH]1NC(=O)c2[nH]c(C)c(
    Cl)c2Br)c3sc(C(O)=O)c(n3)c4ncnn4C; CO[C@
    H]1CN(CC[C@H]1NC(=O)c2[nH]c(C)c(Cl)c2Br)
    c3sc(C(O)=O)c(n3)c4ncnn4C    		 2-[(3S,4R)-4-[(3-bromanyl-4-chloranyl-5-methyl-1H-pyrrol-2-yl)carbonylamino]-3-methoxy-piperidin-1-yl]-4-(2-methyl-1,2,4-triazol-3-yl)-1,3-thiazole-5-carboxylic acid
    35299 RWY
    CHEMBL39581
    ZINC000029328579    		 5 C15 H13 N O2 S InChI=1S/C15H13NO2S/c16-1
    2-19-11-10-17-13-6-8-15(9
    -7-13)18-14-4-2-1-3-5-14/
    h1-9H,10-11H2;
    YQZHGQYIMXWEHI-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)OCCSC#N; N#CSCCOc1c
    cc(Oc2ccccc2)cc1; N#CSCCOc2ccc(Oc1ccccc1
    )cc2    		 2-(4-phenoxyphenoxy)ethyl thiocyanate
    35300 RWZ 10 C22 H38 N2 InChI=1S/C22H38N2/c1-16(2
    )5-4-6-17(3)7-8-23-9-10-2
    4-22-20-12-18-11-19(14-20
    )15-21(22)13-18/h5,7,18-2
    4H,4,6,8-15H2,1-3H3/b17-7
    -/t18-,19+,20-,21+,22-;
    JFIBVDBTCDTBRH-MDXVBTBDSA-N    		 CC(=CCC/C(=C\CNCCNC1C2CC3CC(C2)CC1C3)/C)
    C; CC(C)=CCCC(C)=CCNCCNC1C2CC3CC(C2)CC1C
    3; CC(C)=CCCC(\C)=C/CNCCNC1C2CC3CC(C2)CC
    1C3; CC(=CCCC(=CCNCCNC1C2CC3CC(C2)CC1C3)
    C)C; C(=C\CCC(=C/CNCCNC3C1CC2CC3CC(C1)C2
    )\C)(\C)C    		 N-[(2Z)-3,7-dimethylocta-2,6-dien-1-yl]-N'-[(1R,3S,5R,7R)-tricyclo[3.3.1.1~3,7~]dec-2-yl]ethane-1,2-diamine
    35301 RX0
    CHEMBL1818050
    ZINC000072114852    		 2 C29 H40 N2 O4 InChI=1S/C29H40N2O4/c1-35
    -17-8-7-15-29(34,25-14-6-
    5-13-24(25)21-10-3-2-4-11
    -21)23-12-9-16-31(20-23)2
    8(33)22-18-26(30)27(32)19
    -22/h2-6,10-11,13-14,22-2
    3,26-27,32,34H,7-9,12,15-
    20,30H2,1H3/t22-,23+,26+,
    27-,29-/m0/s1;
    GBAKDRIJFSDCNN-YJFNBJRFSA-N    		 O=C(N3CCCC(C(O)(c2ccccc2c1ccccc1)CCCCOC)
    C3)C4CC(N)C(O)C4; COCCCC[C](O)([CH]1CCCN
    (C1)C(=O)[CH]2C[CH](N)[CH](O)C2)c3ccccc3
    c4ccccc4; COCCCC[C@@](c1ccccc1c2ccccc2)(
    [C@@H]3CCCN(C3)C(=O)[C@H]4C[C@H]([C@H](C
    4)O)N)O; COCCCCC(c1ccccc1c2ccccc2)(C3CCC
    N(C3)C(=O)C4CC(C(C4)O)N)O; COCCCC[C@](O)
    ([C@@H]1CCCN(C1)C(=O)[C@H]2C[C@@H](N)[C@
    @H](O)C2)c3ccccc3c4ccccc4    		 [(1S,3R,4S)-3-amino-4-hydroxycyclopentyl]{(3R)-3-[(1S)-1-(biphenyl-2-yl)-1-hydroxy-5-methoxypentyl]piperidin-1-yl}methanone
    35302 RX3
    CHEMBL571716    		 2 C33 H36 N3 O7 P InChI=1S/C33H36N3O7P/c37-
    31(35-28(32(38)39)19-24-2
    0-34-27-16-8-7-14-25(24)2
    7)26-15-9-17-29(26)44(41,
    42)30(18-22-10-3-1-4-11-2
    2)36-33(40)43-21-23-12-5-
    2-6-13-23/h1-8,10-14,16,2
    0,26,28-30,34H,9,15,17-19
    ,21H2,(H,35,37)(H,36,40)(
    H,38,39)(H,41,42)/t26-,28
    +,29-,30-/m1/s1;
    IMPJIKIXNAGRCR-RRFVUZEHSA-N    		 OC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@
    H]3CCC[C@H]3[P@@](O)(=O)[C@H](Cc4ccccc4)
    NC(=O)OCc5ccccc5; c1ccc(cc1)CC(NC(=O)OCc
    2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H]
    (Cc4c[nH]c5c4cccc5)C(=O)O)O; c1ccc(cc1)C
    C(NC(=O)OCc2ccccc2)P(=O)(C3CCCC3C(=O)NC(
    Cc4c[nH]c5c4cccc5)C(=O)O)O; OC(=O)[CH](C
    c1c[nH]c2ccccc12)NC(=O)[CH]3CCC[CH]3[P](
    O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5ccccc5; O
    =C(OCc1ccccc1)NC(Cc2ccccc2)P(=O)(O)C5CCC
    C5C(=O)NC(C(=O)O)Cc4c3ccccc3nc4    		 N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT OPHAN;
    RXPA380
    35303 RX4
    CHEMBL1235767
    ZINC000013915097    		 3 C21 H31 N4 O8 P InChI=1S/C21H31N4O8P/c1-1
    2(20(30)23-13(2)19(22)29)
    11-34(32,33)17(9-15-7-5-4
    -6-8-15)25-21(31)16(10-18
    (27)28)24-14(3)26/h4-8,12
    -13,16-17H,9-11H2,1-3H3,(
    H2,22,29)(H,23,30)(H,24,2
    6)(H,25,31)(H,27,28)(H,32
    ,33)/t12-,13+,16+,17-/m1/
    s1;
    OCAZUTUOYLAIOA-OSRSDYAFSA-N    		 CC(CP(=O)(C(Cc1ccccc1)NC(=O)C(CC(=O)O)NC
    (=O)C)O)C(=O)NC(C)C(=O)N; O=C(N)C(NC(=O)
    C(C)CP(=O)(O)C(NC(=O)C(NC(=O)C)CC(=O)O)C
    c1ccccc1)C; C[C@H](C[P](O)(=O)[C@H](Cc1c
    cccc1)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N
    [C@@H](C)C(N)=O; C[C@H](C[P@@](=O)([C@H]
    (Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)C)O
    )C(=O)N[C@@H](C)C(=O)N; C[CH](C[P](O)(=O
    )[CH](Cc1ccccc1)NC(=O)[CH](CC(O)=O)NC(C)
    =O)C(=O)N[CH](C)C(N)=O    		 N~2~-acetyl-N-{(1R)-1-[(S)-[(2S)-3-{[(2S)-1-amino-1-oxopropan-2-yl]amino}-2-methyl-3-oxopropyl](hydroxy)phosphoryl]-2-phenylethyl}-L-alpha-asparagine;
    Ac-Asp-(L)Phe(PO2CH2)(L)Ala-Ala-NH2;
    RXP407
    35304 RX5
    CHEMBL1276678
    DB12416
    ZINC000035328520    		 2 C26 H41 Cl N4 O5 InChI=1S/C26H41ClN4O5/c1-
    28-23(14-19-6-5-12-35-18-
    19)16-30-25(32)31-11-4-8-
    21(17-31)24(20-7-3-9-22(2
    7)15-20)36-13-10-29-26(33
    )34-2/h3,7,9,15,19,21,23-
    24,28H,4-6,8,10-14,16-18H
    2,1-2H3,(H,29,33)(H,30,32
    )/t19-,21-,23+,24+/m1/s1;
    NXWASIVXQMMPLM-ZXMXYHOLSA-N    		 CN[C@H](CNC(=O)N1CCC[C@H](C1)[C@@H](OCCN
    C(=O)OC)c2cccc(Cl)c2)C[C@H]3CCCOC3; Clc1
    cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NCC(NC
    )CC2CCCOC2)C3; CN[CH](CNC(=O)N1CCC[CH](C
    1)[CH](OCCNC(=O)OC)c2cccc(Cl)c2)C[CH]3CC
    COC3; CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(c
    3cccc(c3)Cl)OCCNC(=O)OC; CN[C@@H](C[C@H]
    1CCCOC1)CNC(=O)N2CCC[C@H](C2)[C@H](c3ccc
    c(c3)Cl)OCCNC(=O)OC    		 methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl}carbamoyl)piperidin-3-yl] methoxy}ethyl)carbamate;
    VTP-27999
    35305 RX6
    CHEMBL2024248
    ZINC000043169206    		 2 C26 H41 Cl N4 O5 InChI=1S/C26H41ClN4O5/c1-
    28-16-23(14-19-6-5-12-35-
    18-19)30-25(32)31-11-4-8-
    21(17-31)24(20-7-3-9-22(2
    7)15-20)36-13-10-29-26(33
    )34-2/h3,7,9,15,19,21,23-
    24,28H,4-6,8,10-14,16-18H
    2,1-2H3,(H,29,33)(H,30,32
    )/t19-,21-,23+,24+/m1/s1;
    GCNDDOJRCKHYLZ-ZXMXYHOLSA-N    		 Clc1cccc(c1)C(OCCNC(=O)OC)C3CCCN(C(=O)NC
    (CC2CCCOC2)CNC)C3; CNCC(CC1CCCOC1)NC(=O)
    N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC; CN
    C[C@H](C[C@H]1CCCOC1)NC(=O)N2CCC[C@H](C2
    )[C@H](c3cccc(c3)Cl)OCCNC(=O)OC; CNC[CH]
    (C[CH]1CCCOC1)NC(=O)N2CCC[CH](C2)[CH](OC
    CNC(=O)OC)c3cccc(Cl)c3; CNC[C@H](C[C@H]1
    CCCOC1)NC(=O)N2CCC[C@H](C2)[C@@H](OCCNC(
    =O)OC)c3cccc(Cl)c3    		 methyl (2-{(R)-(3-chlorophenyl)[(3R)-1-({(2S)-1-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propan-2-yl}carbamoyl)piperidin-3-yl]methoxy}ethyl)carbamate
    35306 RX7
    ZINC000000359840    		 3 C10 H17 N O S InChI=1S/C10H17NOS/c1-8-4
    -5-13-9(8)6-11-10(2,3)7-1
    2/h4-5,11-12H,6-7H2,1-3H3;
    IFQLAGXBYFTXBB-UHFFFAOYSA-N    		 Cc1ccsc1CNC(C)(C)CO; c1(c(C)ccs1)CNC(C)(
    C)CO    		 2-methyl-2-{[(3-methylthiophen-2-yl)methyl]amino}propan-1-ol
    35307 RX8
    CHEMBL383322
    DB06530
    ZINC000028572103    		 18 C17 H22 N4 O2 InChI=1S/C17H22N4O2/c1-4-
    23-9-13-20-14-15(21(13)10
    -17(2,3)22)11-7-5-6-8-12(
    11)19-16(14)18/h5-8,22H,4
    ,9-10H2,1-3H3,(H2,18,19);
    BXNMTOQRYBFHNZ-UHFFFAOYSA-N    		 CCOCc1nc2c(N)nc3ccccc3c2n1CC(C)(C)O; CCO
    Cc1nc2c(n1CC(C)(C)O)c3ccccc3nc2N; n3c1cc
    ccc1c2c(nc(n2CC(O)(C)C)COCC)c3N    		 1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol;
    R848;
    Resiquimod
    35308 RX9 0 C6 H11 N O2 InChI=1S/C6H11NO2/c1-3-4(
    2)5(7)6(8)9/h3,7H2,1-2H3,
    (H,8,9)/b5-4+;
    XORZEQZOEIWCJH-SNAWJCMRSA-N    		 CCC(C)=C(N)C(O)=O; CC/C(=C(\C(=O)O)/N)/C
    ; CC/C(C)=C(/N)C(O)=O; CCC(=C(C(=O)O)N)C    		 Dehydroisoleucine;
    (E)-2-azanyl-3-methyl-pent-2-enoic acid
    35309 RXA
    CHEMBL206435
    ZINC000001599708    		 1 C9 H5 N O3 InChI=1S/C9H5NO3/c11-7-5-
    3-1-2-4-6(5)8(12)10-9(7)1
    3/h1-4H,(H,10,12,13);
    YIOFGHHAURBGSJ-UHFFFAOYSA-N    		 c1ccc2c(c1)C(=O)C(=O)NC2=O; O=C1NC(=O)c2
    ccccc2C1=O; O=C2c1c(cccc1)C(=O)C(=O)N2    		 isoquinoline-1,3,4(2H)-trione
    35310 RXB
    DB08497
    ZINC000013683220    		 2 C19 H14 N2 O6 InChI=1S/C19H14N2O6/c1-10
    (22)27-16(11-6-3-2-4-7-11
    )19(26)20-13-9-5-8-12-14(
    13)15(23)18(25)21-17(12)2
    4/h2-9,16H,1H3,(H,20,26)(
    H,21,24,25)/t16-/m0/s1;
    NKBDSMREMMRFSI-INIZCTEOSA-N    		 CC(=O)O[C@@H](c1ccccc1)C(=O)Nc2cccc3c2C(
    =O)C(=O)NC3=O; CC(=O)O[C@H](C(=O)Nc1cccc
    2C(=O)NC(=O)C(=O)c12)c3ccccc3; CC(=O)O[C
    H](C(=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3cc
    ccc3; CC(=O)OC(c1ccccc1)C(=O)Nc2cccc3c2C
    (=O)C(=O)NC3=O; O=C(OC(c1ccccc1)C(=O)Nc2
    cccc3c2C(=O)C(=O)NC3=O)C    		 (1S)-2-oxo-1-phenyl-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
    35311 RXC
    DB08498
    ZINC000039127174    		 2 C19 H13 Cl N2 O6 InChI=1S/C19H13ClN2O6/c1-
    9(23)28-16(10-4-2-5-11(20
    )8-10)19(27)21-13-7-3-6-1
    2-14(13)15(24)18(26)22-17
    (12)25/h2-8,16H,1H3,(H,21
    ,27)(H,22,25,26)/t16-/m0/
    s1;
    OVSAMUIBGQSLDC-INIZCTEOSA-N    		 Clc1cccc(c1)C(OC(=O)C)C(=O)Nc2cccc3c2C(=
    O)C(=O)NC3=O; CC(=O)O[CH](C(=O)Nc1cccc2C
    (=O)NC(=O)C(=O)c12)c3cccc(Cl)c3; CC(=O)O
    C(c1cccc(c1)Cl)C(=O)Nc2cccc3c2C(=O)C(=O)
    NC3=O; CC(=O)O[C@@H](c1cccc(c1)Cl)C(=O)N
    c2cccc3c2C(=O)C(=O)NC3=O; CC(=O)O[C@H](C
    (=O)Nc1cccc2C(=O)NC(=O)C(=O)c12)c3cccc(C
    l)c3    		 (1S)-1-(3-chlorophenyl)-2-oxo-2-[(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-5-yl)amino]ethyl acetate
    35312 RXD
    DB08499
    ZINC000039127317    		 1 C21 H18 F N3 O6 InChI=1S/C21H18FN3O6/c22-
    8-9-31-14-3-1-2-12(10-14)
    23-17(26)6-7-18(27)24-13-
    4-5-15-16(11-13)19(28)21(
    30)25-20(15)29/h1-5,10-11
    H,6-9H2,(H,23,26)(H,24,27
    )(H,25,29,30);
    DQXBKUVWJSZHSI-UHFFFAOYSA-N    		 c1cc(cc(c1)OCCF)NC(=O)CCC(=O)Nc2ccc3c(c2
    )C(=O)C(=O)NC3=O; FCCOc1cccc(c1)NC(=O)CC
    C(=O)Nc2ccc3C(=O)NC(=O)C(=O)c3c2; FCCOc1
    cccc(NC(=O)CCC(=O)Nc2ccc3C(=O)NC(=O)C(=O
    )c3c2)c1    		 N-[3-(2-fluoroethoxy)phenyl]-N'-(1,3,4-trioxo-1,2,3,4-tetrahydroisoquinolin-6-yl)butanediamide
    35313 RXE
    CHEMBL5195963    		 3 C23 H22 Br4 Cl2 N4 O2 InChI=1S/C23H22Br4Cl2N4O2
    /c24-18-19(25)21(27)23-22
    (20(18)26)32-12-33(23)10-
    2-1-8-30-16(34)5-6-17(35)
    31-9-7-13-3-4-14(28)15(29
    )11-13/h3-4,11-12H,1-2,5-
    10H2,(H,30,34)(H,31,35);
    HHGOOXRIHBVNFX-UHFFFAOYSA-N    		 c1cc(c(cc1CCNC(=O)CCC(=O)NCCCCn2cnc3c2c(
    c(c(c3Br)Br)Br)Br)Cl)Cl; Clc1ccc(CCNC(=O
    )CCC(=O)NCCCCn2cnc3c(Br)c(Br)c(Br)c(Br)c
    23)cc1Cl    		 ~{N}'-[2-(3,4-dichlorophenyl)ethyl]-~{N}-[4-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]butyl]butanediamide;
    KN2
    35314 RXF
    CHEMBL1885280
    ZINC000002566361    		 8 C15 H18 N6 O6 S InChI=1S/C15H18N6O6S/c1-4
    -27-15-19-12(16-2)17-13(2
    0-15)18-14(23)21-28(24,25
    )10-8-6-5-7-9(10)11(22)26
    -3/h5-8H,4H2,1-3H3,(H3,16
    ,17,18,19,20,21,23);
    ZINJLDJMHCUBIP-UHFFFAOYSA-N    		 CCOc1nc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(
    =O)OC)NC; CCOc1nc(NC)nc(NC(=O)N[S](=O)(=
    O)c2ccccc2C(=O)OC)n1    		 methyl 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoate;
    Ethametsulfuron methyl
    35315 RXG 1 C12 H10 F N O2 InChI=1S/C12H10FNO2/c13-1
    0-3-5-11(6-4-10)16-9-12(1
    5)14-7-1-2-8-14/h1-8H,9H2;
    ACRFZYHPFRBKAZ-UHFFFAOYSA-N    		 c1ccn(c1)C(=O)COc2ccc(cc2)F; C(Oc1ccc(cc
    1)F)C(=O)n2cccc2; Fc1ccc(OCC(=O)n2cccc2)
    cc1    		 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one
    35316 RXH
    CHEMBL1823699
    ZINC000021986245    		 1 C15 H16 O3 InChI=1S/C15H16O3/c1-10(1
    5(16)18-3)11-4-5-13-9-14(
    17-2)7-6-12(13)8-11/h4-10
    H,1-3H3/t10-/m0/s1;
    ZFYFBPCRUQZGJE-JTQLQIEISA-N    		 CC(c1ccc2cc(ccc2c1)OC)C(=O)OC; COC(=O)[C
    @@H](C)c1ccc2cc(OC)ccc2c1; COC(=O)[CH](C
    )c1ccc2cc(OC)ccc2c1; C[C@@H](c1ccc2cc(cc
    c2c1)OC)C(=O)OC    		 Naproxen Methyl Ester;
    Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate;
    (S)-Methyl 2-(6-methoxynaphthalen-2-yl)propanoate;
    (S)-Naproxen Methyl Ester;
    methyl-naproxen;
    35317 RXI 1 C18 H20 N6 O4 InChI=1S/C18H20N6O4/c1-10
    -21-22-15-9-24(14(17(26)2
    7)8-23(10)15)16(25)11-2-4
    -12(5-3-11)19-18(28)20-13
    -6-7-13/h2-5,13-14H,6-9H2
    ,1H3,(H,26,27)(H2,19,20,2
    8)/t14-/m0/s1;
    NVNVGIHHTGVADY-AWEZNQCLSA-N    		 Cc1nnc2n1CC(N(C2)C(=O)c3ccc(cc3)NC(=O)NC
    4CC4)C(=O)O; O=C(NC1CC1)Nc1ccc(cc1)C(=O)
    N1Cc2nnc(C)n2CC1C(=O)O; Cc1nnc2n1C[C@H](
    N(C2)C(=O)c3ccc(cc3)NC(=O)NC4CC4)C(=O)O;
    Cc1nnc2CN([CH](Cn12)C(O)=O)C(=O)c3ccc(N
    C(=O)NC4CC4)cc3; Cc1nnc2CN([C@@H](Cn12)C
    (O)=O)C(=O)c3ccc(NC(=O)NC4CC4)cc3    		 (6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid
    35318 RXJ
    ZINC000000236863    		 2 C12 H15 N3 InChI=1S/C12H15N3/c1-14-6
    -8-15(9-7-14)12-4-2-11(10
    -13)3-5-12/h2-5H,6-9H2,1H
    3;
    ZSDPKKGOSKXEHN-UHFFFAOYSA-N    		 N2(c1ccc(cc1)C#N)CCN(CC2)C; CN1CCN(CC1)c
    2ccc(cc2)C#N    		 4-(4-methylpiperazin-1-yl)benzonitrile
    35319 RXK
    ZINC000012358763    		 1 C7 H12 O2 InChI=1S/C7H12O2/c8-7(9)6
    -4-2-1-3-5-6/h6H,1-5H2,(H
    ,8,9);
    NZNMSOFKMUBTKW-UHFFFAOYSA-N    		 OC(=O)C1CCCCC1; C1CCC(CC1)C(=O)O cyclohexanecarboxylic acid
    35320 RXL 0 C5 H9 N O2 InChI=1S/C5H9NO2/c1-3(2)4
    (6)5(7)8/h6H2,1-2H3,(H,7,
    8);
    MNDXTFKURVNNSY-UHFFFAOYSA-N    		 CC(=C(C(=O)O)N)C; CC(C)=C(N)C(O)=O Dehydrovaline;
    2-azanyl-3-methyl-but-2-enoic acid
    35321 RXM
    CHEMBL1617
    DB01220
    ZINC000169621200    		 2 C43 H51 N3 O11 InChI=1S/C43H51N3O11/c1-1
    9-14-16-46-28(18-19)44-32
    -29-30-37(50)25(7)40-31(2
    9)41(52)43(9,57-40)55-17-
    15-27(54-10)22(4)39(56-26
    (8)47)24(6)36(49)23(5)35(
    48)20(2)12-11-13-21(3)42(
    53)45-33(34(32)46)38(30)5
    1/h11-18,20,22-24,27,35-3
    6,39,48-51H,1-10H3,(H,45,
    53)/b12-11+,17-15+,21-13-
    /t20-,22+,23+,24+,27-,35-
    ,36+,39+,43-/m0/s1;
    NZCRJKRKKOLAOJ-XRCRFVBUSA-N    		 N4C(=O)C(C)=CC=CC(C)C(C(C)C(C(C)C(C(C)C(
    C=COC1(C(=O)c2c(O1)c(c(c5c2c6nc3cc(C)ccn
    3c6c4c5O)O)C)C)OC)OC(C)=O)O)O; CO[C@H]1\
    C=C\O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(NC(=O)\
    C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H]
    (O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C)c5n
    6ccc(C)cc6nc5c4c3C2=O; Cc1ccn2c(c1)nc3c2
    c4c(c5c3c6c(c(c5O)C)OC(C6=O)(OC=CC(C(C(C
    (C(C(C(C(C=CC=C(C(=O)N4)C)C)O)C)O)C)OC(=
    O)C)C)OC)C)O; CO[CH]1C=CO[C]2(C)Oc3c(C)c
    (O)c4c(O)c(NC(=O)C(=CC=C[CH](C)[CH](O)[C
    H](C)[CH](O)[CH](C)[CH](OC(C)=O)[CH]1C)C
    )c5n6ccc(C)cc6nc5c4c3C2=O; Cc1ccn2c(c1)n
    c3c2c4c(c5c3c6c(c(c5O)C)O[C@@](C6=O)(O/C
    =C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@
    H]([C@H]([C@H](/C=C/C=C(\C(=O)N4)/C)C)O)
    C)O)C)OC(=O)C)C)OC)C)O    		 (2S,16Z,18E,20S,21S,22R,23R,24R,25S,26R,27S,28E)-5,6,21,23-tetrahydroxy-27-methoxy-2,4,11,16,20,22,24,26-octamethyl-1,1 5-dioxo-1,2-dihydro-2,7-(epoxypentadeca[1,11,13]trienoimino)furo[2'',3'':7',8']naphtho[1',2':4,5]imidazo[1,2-a]pyridin-2 5-yl acetate;
    Rifaximin
    35322 RXN
    CHEMBL5202859    		 4 C24 H22 Cl N5 O4 InChI=1S/C24H22ClN5O4/c1-
    28-17-8-7-15(25)11-19(17)
    34-13-18(23(28)32)29-10-9
    -16-20(24(29)33)27-30(21(
    16)22(26)31)12-14-5-3-2-4
    -6-14/h2-8,11,18H,9-10,12
    -13H2,1H3,(H2,26,31)/t18-
    /m0/s1;
    KIBQDIDFPAQGOU-SFHVURJKSA-N    		 CN1C(=O)[CH](COc2cc(Cl)ccc12)N3CCc4c(nn(
    Cc5ccccc5)c4C(N)=O)C3=O; CN1C(=O)[C@H](C
    Oc2cc(Cl)ccc12)N3CCc4c(nn(Cc5ccccc5)c4C(
    N)=O)C3=O; CN1c2ccc(cc2OC[C@@H](C1=O)N3C
    Cc4c(nn(c4C(=O)N)Cc5ccccc5)C3=O)Cl; CN1c
    2ccc(cc2OCC(C1=O)N3CCc4c(nn(c4C(=O)N)Cc5
    ccccc5)C3=O)Cl    		 (S)-2-benzyl-6-(8-chloro-5-methyl-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]oxazepin-3-yl)-7-oxo-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-c]pyridine-3-carboxamide;
    6-[(3S)-8-chloranyl-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-7-oxidanylidene-2-(phenylmethyl)-4,5-dihydropyrazolo[3,4-c]pyridine-3-carboxamide;
    LIJTF500025
    35323 RXO 2 C6 H6 As N O3 InChI=1S/C6H6AsNO3/c7-4-1
    -2-6(9)5(3-4)8(10)11/h1-3
    ,9H,7H2;
    POYWCBSQXBGKKH-UHFFFAOYSA-N    		 c1cc(c(cc1[AsH2])[N+](=O)[O-])O; O=[N+](
    [O-])c1cc(ccc1O)[AsH2]; Oc1ccc([AsH2])cc
    1[N+]([O-])=O    		 4-arsanyl-2-nitrophenol
    35324 RXP
    DB04318
    ZINC000026576087    		 6 C39 H43 N4 O6 P InChI=1S/C39H43N4O6P/c40-
    37(44)35(24-32-25-41-34-2
    2-11-10-21-33(32)34)42-38
    (45)31(20-12-19-28-13-4-1
    -5-14-28)27-50(47,48)36(2
    3-29-15-6-2-7-16-29)43-39
    (46)49-26-30-17-8-3-9-18-
    30/h1-11,13-18,21-22,25,3
    1,35-36,41H,12,19-20,23-2
    4,26-27H2,(H2,40,44)(H,42
    ,45)(H,43,46)(H,47,48)/t3
    1-,35+,36+/m1/s1;
    YQEMFOGNUTYMTJ-JNBVYXHXSA-N    		 c1ccc(cc1)CCCC(CP(=O)(C(Cc2ccccc2)NC(=O)
    OCc3ccccc3)O)C(=O)NC(Cc4c[nH]c5c4cccc5)C
    (=O)N; c1ccc(cc1)CCC[C@H](C[P@@](=O)([C@
    @H](Cc2ccccc2)NC(=O)OCc3ccccc3)O)C(=O)N[
    C@@H](Cc4c[nH]c5c4cccc5)C(=O)N; NC(=O)[C
    H](Cc1c[nH]c2ccccc12)NC(=O)[CH](CCCc3ccc
    cc3)C[P](O)(=O)[CH](Cc4ccccc4)NC(=O)OCc5
    ccccc5; O=C(OCc1ccccc1)NC(Cc2ccccc2)P(=O
    )(O)CC(C(=O)NC(C(=O)N)Cc4c3ccccc3nc4)CCC
    c5ccccc5; NC(=O)[C@H](Cc1c[nH]c2ccccc12)
    NC(=O)[C@H](CCCc3ccccc3)C[P@@](O)(=O)[C@
    @H](Cc4ccccc4)NC(=O)OCc5ccccc5    		 1-BENZYLOXYCARBONYLAMINO-2-PHENYL-ETHYL)-{2-[1-CARBAMOYL-2-(1H-INDOL-3-YL)-ETHYLCARBAMOYL]-5-PHENYL-PENTYL}-PHOSPHINIC ACID
    35325 RXQ
    CHEMBL4852271    		 1 C26 H16 Cl F2 N3 O3 S InChI=1S/C26H16ClF2N3O3S/
    c27-17-8-6-15(7-9-17)16-1
    2-19-20(14-31-26(19)30-13
    -16)25(33)23-21(28)10-11-
    22(24(23)29)32-36(34,35)1
    8-4-2-1-3-5-18/h1-14,32H,
    (H,30,31);
    RITQXDGVBQEJQA-UHFFFAOYSA-N    		 c1ccc(cc1)S(=O)(=O)Nc2ccc(c(c2F)C(=O)c3c
    [nH]c4c3cc(cn4)c5ccc(cc5)Cl)F; Fc1ccc(N[
    S](=O)(=O)c2ccccc2)c(F)c1C(=O)c3c[nH]c4n
    cc(cc34)c5ccc(Cl)cc5    		 N-[3-[5-(4-Chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]benzenesulfonamide;
    N-[3-[[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]carbonyl]-2,4-bis(fluoranyl)phenyl]benzenesulfonamide;
    LIJTF500127
    35326 RXR 2 C10 H18 N O S2 InChI=1S/C10H19NOS2/c1-9(
    2)7(5-13)8(6-14)10(3,4)11
    (9)12/h12-14H,5-6H2,1-4H3;
    PZEXYXPQVHSRCF-UHFFFAOYSA-N    		 CC1(C(=C(C(N1[O])(C)C)CS)CS)C; CC1(C)N([
    O])C(C)(C)C(=C1CS)CS; ON1C(C(=C(CS)C1(C)
    C)CS)(C)C    		 [2,2,5,5-tetramethyl-3,4-bis(sulfanylmethyl)-2,5-dihydro-1H-pyrrol-1-yl]oxidanyl radical;
    3,4-bis(thiomethyl)-2,2,5,5-tetramethyl-1H-Pyrrol-1-yloxyl radical
    35327 RXS
    ZINC000019431823    		 2 C12 H11 N3 InChI=1S/C12H11N3/c1-10-1
    4-5-6-15(10)9-12-4-2-3-11
    (7-12)8-13/h2-7H,9H2,1H3;
    HMXUYPBDUYSWMA-UHFFFAOYSA-N    		 n2(Cc1cc(ccc1)C#N)c(ncc2)C; Cc1nccn1Cc2c
    ccc(c2)C#N    		 3-[(2-methyl-1H-imidazol-1-yl)methyl]benzonitrile
    35328 RXT
    CHEMBL1789941
    DB08877
    ZINC000043207851    		 13 C17 H18 N6 InChI=1S/C17H18N6/c18-7-5
    -15(12-3-1-2-4-12)23-10-1
    3(9-22-23)16-14-6-8-19-17
    (14)21-11-20-16/h6,8-12,1
    5H,1-5H2,(H,19,20,21)/t15
    -/m1/s1;
    HFNKQEVNSGCOJV-OAHLLOKOSA-N    		 N#CC[CH](C1CCCC1)n2cc(cn2)c3ncnc4[nH]ccc
    34; N#CCC(n1ncc(c1)c3ncnc2c3ccn2)C4CCCC4
    ; N#CC[C@H](C1CCCC1)n2cc(cn2)c3ncnc4[nH]
    ccc34; c1c[nH]c2c1c(ncn2)c3cnn(c3)[C@H](
    CC#N)C4CCCC4; c1c[nH]c2c1c(ncn2)c3cnn(c3
    )C(CC#N)C4CCCC4    		 (3R)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile;
    Ruxolitinib
    35329 RXU 2 C24 H27 Cl N4 O2 InChI=1S/C24H27ClN4O2/c1-
    26-22(30)14-28-13-17-6-7-
    18(25)10-20(17)24(15-28)8
    -9-29(23(24)31)21-12-27-1
    1-16-4-2-3-5-19(16)21/h6-
    7,10-12H,2-5,8-9,13-15H2,
    1H3,(H,26,30)/t24-/m1/s1;
    HGSRDUTVEZMNMN-XMMPIXPASA-N    		 CNC(=O)CN1Cc2ccc(Cl)cc2[C]3(CCN(C3=O)c4c
    ncc5CCCCc45)C1; CNC(=O)CN1Cc2ccc(Cl)cc2C
    2(CCN(C2=O)c2cncc3CCCCc32)C1; CNC(=O)CN1
    Cc2ccc(cc2C3(C1)CCN(C3=O)c4cncc5c4CCCC5)
    Cl; CNC(=O)CN1Cc2ccc(cc2[C@]3(C1)CCN(C3=
    O)c4cncc5c4CCCC5)Cl; CNC(=O)CN1Cc2ccc(Cl
    )cc2[C@@]3(CCN(C3=O)c4cncc5CCCCc45)C1    		 2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    35330 RXV
    CHEMBL1235773
    ZINC000058650072    		 5 C25 H27 N5 O2 S InChI=1S/C25H27N5O2S/c1-3
    1-20-2-3-23-22(11-20)21(1
    7(12-26)13-29-23)6-9-30-7
    -4-18(5-8-30)27-14-19-10-
    25-24(15-28-19)32-16-33-2
    5/h2-3,10-11,13,15,18,27H
    ,4-9,14,16H2,1H3;
    NKXJSCXEAVZSMF-UHFFFAOYSA-N    		 COc1ccc2c(c1)c(c(cn2)C#N)CCN3CCC(CC3)NCc
    4cc5c(cn4)OCS5; COc1ccc2ncc(C#N)c(CCN3CC
    C(CC3)NCc4cc5SCOc5cn4)c2c1; N#Cc2cnc1c(c
    c(OC)cc1)c2CCN5CCC(NCc3ncc4OCSc4c3)CC5    		 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE
    35331 RXW
    CHEMBL5081717
    ZINC000169945583    		 1 C8 H9 B N2 O2 InChI=1S/C8H9BN2O2/c1-5-2
    -6-4-10-11-8(6)3-7(5)9(12
    )13/h2-4,12-13H,1H3,(H,10
    ,11);
    FVSYCXICBAFOGW-UHFFFAOYSA-N    		 Cc1cc2cn[nH]c2cc1B(O)O; B(c1cc2c(cc1C)cn
    [nH]2)(O)O    		 (5-methyl-1H-indazol-6-yl)boronic acid;
    5-Methyl-1H-indazole-6-boronic acid;
    5-METHYL-1H-INDAZOL-6-YL-6-BORONIC ACID;
    Boronic acid, B-(5-methyl-1H-indazol-6-yl)-
    35332 RXX 2 C14 H13 N7 O S InChI=1S/C14H13N7OS/c1-7-
    2-3-9(22-7)13-18-8(5-23-1
    3)4-21-6-17-10-11(15)19-1
    4(16)20-12(10)21/h2-3,5-6
    H,4H2,1H3,(H4,15,16,19,20
    );
    RYLGZXYODNRSDR-UHFFFAOYSA-N    		 Cc1ccc(o1)c2nc(cs2)Cn3cnc4c3nc(nc4N)N; C
    c1oc(cc1)c2scc(Cn3cnc4c(N)nc(N)nc34)n2;
    Nc1nc(N)nc2c1ncn2Cc1csc(n1)c1oc(C)cc1    		 9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine
    35333 RXY
    ZINC000085581141    		 23 C39 H74 N O8 P InChI=1S/C39H74NO8P/c1-3-
    5-7-9-11-13-15-17-18-20-2
    2-24-26-28-30-32-39(42)48
    -37(36-47-49(43,44)46-34-
    33-40)35-45-38(41)31-29-2
    7-25-23-21-19-16-14-12-10
    -8-6-4-2/h14,16-18,37H,3-
    13,15,19-36,40H2,1-2H3,(H
    ,43,44)/b16-14-,18-17-/t3
    7-/m1/s1;
    RAMNOXDFBNFSFC-AVWHJSSGSA-N    		 CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCC
    CCCC=CCCCCCC)CO[P](O)(=O)OCCN; CCCCCCCCC
    =CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC
    )COP(=O)(O)OCCN; CCCCCCCC/C=C\CCCCCCCC(=
    O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=
    O)(O)OCCN; CCCCCCCC\C=C/CCCCCCCC(=O)O[C@
    H](COC(=O)CCCCCCC\C=C/CCCCCC)CO[P](O)(=O
    )OCCN; CCCCCCCC\C=C/CCCCCCCC(=O)OC(COP(=
    O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC    		 (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate
    35334 RXZ
    CHEMBL5074274    		 1 C27 H24 F3 N5 O2 InChI=1S/C27H24F3N5O2/c28
    -27(29,30)20-4-5-23(35-15
    -13-34(14-16-35)18-21-3-1
    -2-10-32-21)22(17-20)33-2
    6(36)25-7-6-24(37-25)19-8
    -11-31-12-9-19/h1-12,17H,
    13-16,18H2,(H,33,36);
    VURLRACCOCGFDB-UHFFFAOYSA-N    		 FC(F)(F)c1ccc(N2CCN(CC2)Cc3ccccn3)c(NC(=
    O)c4oc(cc4)c5ccncc5)c1; c1ccnc(c1)CN2CCN
    (CC2)c3ccc(cc3NC(=O)c4ccc(o4)c5ccncc5)C(
    F)(F)F    		 SPHINX31
    35335 RY 0 C9 H16 N3 O8 P InChI=1S/C9H16N3O8P/c10-5
    -1-2-12(9(15)11-5)8-7(14)
    6(13)4(20-8)3-19-21(16,17
    )18/h1,4,6-8,13-14H,2-3,1
    0H2,(H,11,15)(H2,16,17,18
    )/t4-,6-,7-,8-/m1/s1;
    NWPXZYGTNOANAA-XVFCMESISA-N    		 NC1=CCN([CH]2O[CH](CO[P](O)(O)=O)[CH](O)
    [CH]2O)C(=O)N1; NC1=CCN([C@@H]2O[C@H](CO
    [P](O)(O)=O)[C@@H](O)[C@H]2O)C(=O)N1; C1
    C=C(NC(=O)N1C2C(C(C(O2)COP(=O)(O)O)O)O)N
    ; C1C=C(NC(=O)N1[C@H]2[C@@H]([C@@H]([C@H
    ](O2)COP(=O)(O)O)O)O)N; P(O)(OCC1OC(C(C1
    O)O)N2CC=C(NC2=O)N)(O)=O    		 5'-3,6-dihydrocytidylic acid
    35336 RY0 1 C22 H20 Cl N3 O2 S InChI=1S/C22H20ClN3O2S/c2
    3-16-5-7-18(8-6-16)28-22(
    9-2-10-22)21(27)26-17-4-1
    -3-14(11-17)15-12-19(20(2
    4)25)29-13-15/h1,3-8,11-1
    3H,2,9-10H2,(H3,24,25)(H,
    26,27);
    RSYXQFCNAHJFNA-UHFFFAOYSA-N    		 [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC
    3)Oc4ccc(cc4)Cl)/N; c1cc(cc(c1)NC(=O)C2(
    CCC2)Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N; NC(=
    N)c1scc(c1)c2cccc(NC(=O)C3(CCC3)Oc4ccc(C
    l)cc4)c2    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclobutane-1-carboxamide
    35337 RY2
    CHEMBL5083690
    ZINC000169743645    		 1 C7 H7 B N4 O2 InChI=1S/C7H7BN4O2/c13-8(
    14)6-3-1-2-5(4-6)7-9-11-1
    2-10-7/h1-4,13-14H,(H,9,1
    0,11,12);
    XMJKBDSKRITXBW-UHFFFAOYSA-N    		 B(c1cccc(c1)c2n[nH]nn2)(O)O; OB(O)c1cccc
    (c1)c2n[nH]nn2    		 (3-(1H-tetrazol-5-yl)phenyl)boronic acid;
    [3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]boronic acid;
    3-(1H-Tetrazol-5-yl)phenylboronic Acid;
    3-(2H-Tetrazol-5-yl)-phenyl-boronic acid;
    3-(TETRAZOL-5-YL)PHENYLBORONIC ACID;
    Boronic acid,B-[3-(2H-tetrazol-5-yl)phenyl]-
    35338 RY3 1 C12 H15 N O7 InChI=1S/C12H15NO7/c1-6-9
    (14)10(15)11(16)12(19-6)2
    0-8-4-2-7(3-5-8)13(17)18/
    h2-6,9-12,14-16H,1H3/t6-,
    9-,10+,11+,12-/m0/s1;
    YILIDCGSXCGACV-UOAXWKJLSA-N    		 CC1C(C(C(C(O1)Oc2ccc(cc2)[N+](=O)[O-])O)
    O)O; C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1
    )Oc2ccc(cc2)[N+](=O)[O-])O)O)O; C[CH]1O[
    CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](
    O)[CH]1O; C[C@@H]1O[C@@H](Oc2ccc(cc2)[N+
    ]([O-])=O)[C@H](O)[C@H](O)[C@H]1O    		 (2S,3R,4R,5R,6S)-2-methyl-6-[4-[oxidanyl(oxidanylidene)-$l^4-azanyl]phenoxy]oxane-3,4,5-triol
    35339 RY4
    ZINC000001494962    		 5 C8 H12 N2 O2 S InChI=1S/C8H12N2O2S/c1-13
    (11,12)10-8-4-2-7(6-9)3-5
    -8/h2-5,10H,6,9H2,1H3;
    IZJVPNBRAKIMBK-UHFFFAOYSA-N    		 C[S](=O)(=O)Nc1ccc(CN)cc1; N(S(C)(=O)=O)
    c1ccc(cc1)CN; CS(=O)(=O)Nc1ccc(cc1)CN    		 N-[4-(aminomethyl)phenyl]methanesulfonamide
    35340 RY5 1 C15 H12 Cl N3 O3 InChI=1S/C15H12ClN3O3/c16
    -10-1-2-12-9(7-10)3-5-15(
    12)13(20)19(14(21)17-15)8
    -11-4-6-22-18-11/h1-2,4,6
    -7H,3,5,8H2,(H,17,21)/t15
    -/m0/s1;
    BIZQWNOTOCHPKD-HNNXBMFYSA-N    		 Clc1ccc2c(CC[C]23NC(=O)N(Cc4ccon4)C3=O)c
    1; c1cc2c(cc1Cl)CC[C@@]23C(=O)N(C(=O)N3)
    Cc4ccon4; Clc1ccc2c(CC[C@]23NC(=O)N(Cc4c
    con4)C3=O)c1; c1cc2c(cc1Cl)CCC23C(=O)N(C
    (=O)N3)Cc4ccon4    		 (3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione
    35341 RY6 2 C18 H17 N3 O5 InChI=1S/C18H17N3O5/c19-1
    8(26)20-10-6-4-9(5-7-10)1
    6(23)21-15-11-2-1-3-14(22
    )12(11)8-13(15)17(24)25/h
    1-7,13,15,22H,8H2,(H,21,2
    3)(H,24,25)(H3,19,20,26)/
    t13-,15+/m0/s1;
    UYUBQOHPPHHZPI-DZGCQCFKSA-N    		 NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C
    (=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](
    Cc3c(O)cccc23)C(O)=O; NC(=O)Nc1ccc(cc1)C
    (=O)N[C@H]2[C@H](Cc3c(O)cccc23)C(O)=O; c
    1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=O)
    N)C(=O)O; c1cc2c(c(c1)O)C[C@@H]([C@@H]2N
    C(=O)c3ccc(cc3)NC(=O)N)C(=O)O    		 (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    35342 RY7 5 C13 H25 N O8 InChI=1S/C13H25NO8/c1-4-7
    (10(18)12(20)13(21)22-4)1
    4-6-2-5(3-15)8(16)11(19)9
    (6)17/h4-21H,2-3H2,1H3/t4
    -,5-,6+,7-,8-,9+,10+,11+,
    12-,13+/m1/s1;
    PFUNPXBPUXETIR-KJEWDVBSSA-N    		 C[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1
    N[C@H]2C[C@H](CO)[C@@H](O)[C@H](O)[C@H]2
    O; CC1C(C(C(C(O1)O)O)O)NC2CC(C(C(C2O)O)O
    )CO; C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1
    )O)O)O)N[C@H]2C[C@@H]([C@H]([C@@H]([C@H]
    2O)O)O)CO; C[CH]1O[CH](O)[CH](O)[CH](O)[
    CH]1N[CH]2C[CH](CO)[CH](O)[CH](O)[CH]2O;
    C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)
    O    		 4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose
    35343 RY8 6 C19 H19 N3 O3 S2 InChI=1S/C19H19N3O3S2/c1-
    11-8-16(27(20,24)25)9-17(
    12(11)2)22-19(23)15-6-4-1
    4(5-7-15)18-10-26-13(3)21
    -18/h4-10H,1-3H3,(H,22,23
    )(H2,20,24,25);
    GGIKQVGRVUTAKR-UHFFFAOYSA-N    		 Cc1scc(n1)c2ccc(cc2)C(=O)Nc3cc(cc(C)c3C)
    [S](N)(=O)=O; Cc1cc(cc(c1C)NC(=O)c2ccc(c
    c2)c3csc(n3)C)S(=O)(=O)N    		 N-(2,3-dimethyl-5-sulfamoylphenyl)-4-(2-methylthiazol-4-yl)benzamide
    35344 RYA 2 C17 H15 F2 N5 O2 InChI=1S/C17H15F2N5O2/c1-
    4-5-24-9(2)16(26)23(3)13-
    8-20-17(22-15(13)24)21-10
    -6-11(18)14(25)12(19)7-10
    /h1,6-9,25H,5H2,2-3H3,(H,
    20,21,22)/t9-/m1/s1;
    DYKLQWQETZOVEI-SECBINFHSA-N    		 CC1C(=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F
    )O)F)C; C[CH]1N(CC#C)c2nc(Nc3cc(F)c(O)c(
    F)c3)ncc2N(C)C1=O; C[C@H]1N(CC#C)c2nc(Nc
    3cc(F)c(O)c(F)c3)ncc2N(C)C1=O; C[C@@H]1C
    (=O)N(c2cnc(nc2N1CC#C)Nc3cc(c(c(c3)F)O)F
    )C    		 (7~{R})-2-[[3,5-bis(fluoranyl)-4-oxidanyl-phenyl]amino]-5,7-dimethyl-8-prop-2-ynyl-7~{H}-pteridin-6-one
    35345 RYB 2 C30 H32 Cl N5 O4 S InChI=1S/C30H32ClN5O4S/c1
    -34(2)11-12-40-24-6-4-21-
    15-33-16-27(25(21)14-24)3
    6-10-9-30(28(36)37)19-35(
    17-22-3-5-23(31)13-26(22)
    30)41(38,39)20-29(18-32)7
    -8-29/h3-6,13-16H,7-12,17
    ,19-20H2,1-2H3/t30-/m1/s1;
    FLBSSPVVUCLCOS-SSEXGKCCSA-N    		 CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)
    CN(Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N;
    CN(C)CCOc1ccc2cncc(N3CC[C@]4(CN(Cc5ccc(C
    l)cc45)[S](=O)(=O)CC6(CC6)C#N)C3=O)c2c1;
    CN(C)CCOc1ccc2cncc(c2c1)N3CCC4(C3=O)CN(
    Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N; CN(
    C)CCOc1ccc2cncc(N3CC[C]4(CN(Cc5ccc(Cl)cc
    45)[S](=O)(=O)CC6(CC6)C#N)C3=O)c2c1; CN(
    C)CCOc1cc2c(cc1)cncc2N1CCC2(CN(Cc3ccc(Cl
    )cc32)S(=O)(=O)CC2(C#N)CC2)C1=O    		 1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile
    35346 RYC 1 C18 H17 N3 O5 InChI=1S/C18H17N3O5/c19-1
    8(26)20-10-6-4-9(5-7-10)1
    6(23)21-15-11-2-1-3-14(22
    )12(11)8-13(15)17(24)25/h
    1-7,13,15,22H,8H2,(H,21,2
    3)(H,24,25)(H3,19,20,26)/
    t13-,15+/m1/s1;
    UYUBQOHPPHHZPI-HIFRSBDPSA-N    		 NC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc(O)c2CC1C
    (=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](
    Cc3c(O)cccc23)C(O)=O; c1cc2c(c(c1)O)C[C@
    H]([C@H]2NC(=O)c3ccc(cc3)NC(=O)N)C(=O)O;
    c1cc2c(c(c1)O)CC(C2NC(=O)c3ccc(cc3)NC(=
    O)N)C(=O)O; NC(=O)Nc1ccc(cc1)C(=O)N[C@@H
    ]2[C@@H](Cc3c(O)cccc23)C(O)=O    		 (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid
    35347 RYD
    ZINC000000158987    		 3 C8 H9 N3 O InChI=1S/C8H9N3O/c1-11-8-
    3-2-6(5-12)4-7(8)9-10-11/
    h2-4,12H,5H2,1H3;
    HVLCKOBNGNRDPT-UHFFFAOYSA-N    		 Cn1nnc2cc(CO)ccc12; Cn1c2ccc(cc2nn1)CO (1-methylbenzotriazol-5-yl)methanol
    35348 RYE 2 C22 H25 N6 O8 S2 InChI=1S/C22H24N6O8S2/c1-
    22(2,20(34)35)36-27-14(12
    -10-38-21(23)24-12)16(29)
    25-15(19(32)33)17-26-13(1
    8(30)31)11(9-37-17)8-28-6
    -4-3-5-7-28/h3-7,10,15,17
    ,26H,8-9H2,1-2H3,(H5-,23,
    24,25,29,30,31,32,33,34,3
    5)/p+1/b27-14-/t15-,17+/m
    0/s1;
    ZFKSAQZBKJRFHB-NUYJMBSPSA-O    		 CC(C)(O\N=C(/C(=O)N[C@@H]([C@@H]1NC(=C(C
    S1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N)n3
    )C(O)=O; CC(C)(ON=C(C(=O)N[CH]([CH]1NC(=
    C(CS1)C[n+]2ccccc2)C(O)=O)C(O)=O)c3csc(N
    )n3)C(O)=O; CC(C)(C(=O)O)ON=C(c1csc(n1)N
    )C(=O)NC(C2NC(=C(CS2)C[n+]3ccccc3)C(=O)O
    )C(=O)O; CC(C)(C(=O)O)O/N=C(/c1csc(n1)N)
    \C(=O)N[C@@H]([C@@H]2NC(=C(CS2)C[n+]3ccc
    cc3)C(=O)O)C(=O)O    		 hydrolyzed ceftazidime;
    (2R)-2-[(1R)-1-[[(2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)oxyimino-ethanoyl]amino]-2-oxidanyl-2-oxidanylidene-ethyl]-5-(pyridin-1-ium-1-ylmethyl)-3,6-dihydro-2H-1,3-thiazine-4-carboxylic acid
    35349 RYF 1 C11 H8 I N5 InChI=1S/C11H8IN5/c12-7-1
    -3-8(4-2-7)16-10-9-5-15-1
    7-11(9)14-6-13-10/h1-6H,(
    H2,13,14,15,16,17);
    QSDMHOAEIDKWQL-UHFFFAOYSA-N    		 Ic1ccc(Nc2ncnc3[nH]ncc23)cc1; c1cc(ccc1N
    c2c3cn[nH]c3ncn2)I    		 ~{N}-(4-iodophenyl)-1~{H}-pyrazolo[3,4-d]pyrimidin-4-amine
    35350 RYG
    ZINC000000153520    		 1 C11 H14 N2 O3 InChI=1S/C11H14N2O3/c14-1
    0-8(4-1-2-6-12-10)13-11(1
    5)9-5-3-7-16-9/h3,5,7-8H,
    1-2,4,6H2,(H,12,14)(H,13,
    15)/t8-/m1/s1;
    KMCPPIBDTMYPRI-MRVPVSSYSA-N    		 c1cc(oc1)C(=O)N[C@@H]2CCCCNC2=O; c1cc(oc
    1)C(=O)NC2CCCCNC2=O; O=C1NCCCC[C@H]1NC(=
    O)c2occc2; O=C1NCCCC[CH]1NC(=O)c2occc2    		 ~{N}-[(3~{R})-2-oxidanylideneazepan-3-yl]furan-2-carboxamide
    35351 RYH
    CHEMBL4287262
    ZINC000020297208    		 0 C14 H11 N O4 InChI=1S/C14H11NO4/c15-13
    (16)9-1-5-11(6-2-9)19-12-
    7-3-10(4-8-12)14(17)18/h1
    -8H,(H2,15,16)(H,17,18);
    FIHJPVBFFYAION-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)N)Oc2ccc(cc2)C(=O)O; NC(=O
    )c1ccc(Oc2ccc(cc2)C(O)=O)cc1    		 4-(4-aminocarbonylphenoxy)benzoic acid
    35352 RYI 1 C14 H18 N4 O2 S InChI=1S/C14H18N4O2S/c19-
    21(20)7-4-14(9-21)3-1-6-1
    8(8-14)13-11-2-5-15-12(11
    )16-10-17-13/h2,5,10H,1,3
    -4,6-9H2,(H,15,16,17)/t14
    -/m1/s1;
    CIGPPCNTUJESTR-CQSZACIVSA-N    		 O=[S]1(=O)CC[C@@]2(CCCN(C2)c3ncnc4[nH]cc
    c34)C1; c1c[nH]c2c1c(ncn2)N3CCCC4(C3)CCS
    (=O)(=O)C4; O=S1(=O)CCC2(CCCN(C2)c2ncnc3
    [NH]ccc32)C1; O=[S]1(=O)CC[C]2(CCCN(C2)c
    3ncnc4[nH]ccc34)C1; c1c[nH]c2c1c(ncn2)N3
    CCC[C@]4(C3)CCS(=O)(=O)C4    		 (5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione
    35353 RYJ
    CHEMBL451234    		 1 C9 H9 F3 N2 O3 S InChI=1S/C9H9F3N2O3S/c10-
    9(11,12)5-14-8(15)6-1-3-7
    (4-2-6)18(13,16)17/h1-4H,
    5H2,(H,14,15)(H2,13,16,17
    );
    QTBXXSHAPCGITL-UHFFFAOYSA-N    		 c1cc(ccc1C(=O)NCC(F)(F)F)S(=O)(=O)N; N[S
    ](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)F; O=S(
    =O)(N)c1ccc(C(=O)NCC(F)(F)F)cc1    		 4-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
    35354 RYK 2 C24 H28 N2 O7 InChI=1S/C24H28N2O7/c1-5-
    25-24(27)26-9-8-13-10-17-
    22(33-12-32-17)23(30-4)18
    (13)19(26)21-14-6-7-16(28
    -2)20(29-3)15(14)11-31-21
    /h6-7,10,19,21H,5,8-9,11-
    12H2,1-4H3,(H,25,27)/t19-
    ,21+/m1/s1;
    VMHFTRMCCSRTML-CTNGQTDRSA-N    		 CCNC(=O)N1CCc2cc3OCOc3c(OC)c2[CH]1[CH]4O
    Cc5c4ccc(OC)c5OC; CCNC(=O)N1CCc2cc3c(c(c
    2C1C4c5ccc(c(c5CO4)OC)OC)OC)OCO3; CCNC(=
    O)N1CCc2cc3OCOc3c(OC)c2[C@@H]1[C@H]4OCc5
    c4ccc(OC)c5OC; CCNC(=O)N1CCc2cc3c(c(c2[C
    @@H]1[C@@H]4c5ccc(c(c5CO4)OC)OC)OC)OCO3    		 (5~{R})-5-[(1~{S})-4,5-dimethoxy-1,3-dihydro-2-benzofuran-1-yl]-~{N}-ethyl-4-methoxy-7,8-dihydro-5~{H}-[1,3]dioxolo[4,5-g]isoquinoline-6-carboxamide
    35355 RYM
    ZINC000000419911    		 5 C15 H11 N3 InChI=1S/C15H11N3/c16-9-1
    2-5-7-13(8-6-12)10-18-11-
    17-14-3-1-2-4-15(14)18/h1
    -8,11H,10H2;
    KZMYEQMVROHICO-UHFFFAOYSA-N    		 N#Cc1ccc(Cn2cnc3ccccc23)cc1; c1ccc2c(c1)
    ncn2Cc3ccc(cc3)C#N    		 4-(benzimidazol-1-ylmethyl)benzenecarbonitrile
    35356 RYN
    CHEMBL1235774
    ZINC000000085378    		 1 C9 H17 N5 S InChI=1S/C9H17N5S/c1-5-10
    -7-12-8(11-6(2)3)14-9(13-
    7)15-4/h6H,5H2,1-4H3,(H2,
    10,11,12,13,14);
    RQVYBGPQFYCBGX-UHFFFAOYSA-N    		 CCNc1nc(NC(C)C)nc(SC)n1; CCNc1nc(nc(n1)S
    C)NC(C)C; S(c1nc(nc(n1)NC(C)C)NCC)C    		 N-ethyl-N'-(1-methylethyl)-6-(methylsulfanyl)-1,3,5-triazine-2,4-diamine;
    Ametryn
    35357 RYP
    ZINC000000161991    		 4 C7 H10 N2 InChI=1S/C7H10N2/c1-8-6-7
    -2-4-9-5-3-7/h2-5,8H,6H2,
    1H3;
    DNBWGFKLIBQQSL-UHFFFAOYSA-N    		 CNCc1ccncc1 ~{N}-methyl-1-pyridin-4-yl-methanamine
    35358 RYQ 1 C10 H11 N7 S InChI=1S/C10H11N7S/c1-5-1
    4-6(3-18-5)2-17-4-13-7-8(
    11)15-10(12)16-9(7)17/h3-
    4H,2H2,1H3,(H4,11,12,15,1
    6);
    INTFUQJSFGYBOV-UHFFFAOYSA-N    		 Cc1scc(Cn2cnc3c(N)nc(N)nc23)n1; Cc1nc(cs
    1)Cn2cnc3c2nc(nc3N)N; Cc1nc(Cn2cnc3c(N)n
    c(N)nc23)cs1    		 9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
    35359 RYR 1 C22 H20 F3 N3 O2 S InChI=1S/C22H20F3N3O2S/c1
    -21(2,30-17-8-6-15(7-9-17
    )22(23,24)25)20(29)28-16-
    5-3-4-13(10-16)14-11-18(1
    9(26)27)31-12-14/h3-12H,1
    -2H3,(H3,26,27)(H,28,29);
    OQVWICYACULMHT-UHFFFAOYSA-N    		 [H]/N=C(\c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C
    )Oc3ccc(cc3)C(F)(F)F)/N; CC(C)(C(=O)Nc1c
    ccc(c1)c2cc(sc2)C(=N)N)Oc3ccc(cc3)C(F)(F
    )F; CC(C)(Oc1ccc(cc1)C(F)(F)F)C(=O)Nc2cc
    cc(c2)c3csc(c3)C(N)=N    		 ~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
    35360 RYS
    CHEMBL4762437    		 2 C16 H19 F3 N4 O3 InChI=1S/C16H19F3N4O3/c1-
    15(26)2-3-22(8-15)14-9(5-
    20)10(16(17,18)19)4-13(21
    -14)23-6-11(24)12(25)7-23
    /h4,11-12,24-26H,2-3,6-8H
    2,1H3/t11-,12+,15-/m0/s1;
    FAXXYODRCHXHTQ-ZOWXZIJZSA-N    		 C[C]1(O)CCN(C1)c2nc(cc(c2C#N)C(F)(F)F)N3
    C[CH](O)[CH](O)C3; C[C@]1(O)CCN(C1)c2nc(
    cc(c2C#N)C(F)(F)F)N3C[C@H](O)[C@H](O)C3;
    CC1(CCN(C1)c2c(c(cc(n2)N3CC(C(C3)O)O)C(
    F)(F)F)C#N)O; C[C@@]1(CCN(C1)c2c(c(cc(n2
    )N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O    		 6-[(3~{S},4~{R})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(3~{S})-3-methyl-3-oxidanyl-pyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
    35361 RYT 1 H17 O46 P15 InChI=1S/H17O46P15/c1-47(
    2,3)33-49(7,8)35-51(11,12
    )37-53(15,16)39-55(19,20)
    41-57(23,24)43-59(27,28)4
    5-61(31,32)46-60(29,30)44
    -58(25,26)42-56(21,22)40-
    54(17,18)38-52(13,14)36-5
    0(9,10)34-48(4,5)6/h(H,7,
    8)(H,9,10)(H,11,12)(H,13,
    14)(H,15,16)(H,17,18)(H,1
    9,20)(H,21,22)(H,23,24)(H
    ,25,26)(H,27,28)(H,29,30)
    (H,31,32)(H2,1,2,3)(H2,4,
    5,6);
    NXNVLMOFLGVRFT-UHFFFAOYSA-N    		 OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=
    O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O
    )OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OP(
    =O)(O)OP(=O)(O)O; O[P](O)(=O)O[P](O)(=O)
    O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)
    (=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P
    ](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O
    )O[P](O)(=O)O[P](O)(O)=O    		 pentadecaphosphate;
    bis[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl-[oxidanyl(phosphonooxy)phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl]oxy-phosphoryl] hydrogen phosphate
    35362 RYU
    DB03583
    ZINC000100033334    		 1 C22 H23 N3 O5 S InChI=1S/C22H23N3O5S/c1-2
    2(28)16-4-2-3-5-18(16)23-
    20(22)19-15-12-14(6-7-17(
    15)24-21(19)27)31(29,30)2
    5-10-8-13(26)9-11-25/h2-7
    ,12-13,23,26,28H,8-11H2,1
    H3,(H,24,27)/b20-19-/t22-
    /m0/s1;
    AYOAIABDFUJDKQ-SQJPUDIVSA-N    		 CC1(c2ccccc2NC1=C3c4cc(ccc4NC3=O)S(=O)(=
    O)N5CCC(CC5)O)O; C[C@@]1(c2ccccc2NC1=C3c
    4cc(ccc4NC3=O)S(=O)(=O)N5CCC(CC5)O)O; C[
    C]1(O)C(Nc2ccccc12)=C3C(=O)Nc4ccc(cc34)[
    S](=O)(=O)N5CCC(O)CC5; C[C@@]1(O)\C(Nc2c
    cccc12)=C3\C(=O)Nc4ccc(cc34)[S](=O)(=O)N
    5CCC(O)CC5; O=S(=O)(c4cc3\C(=C2\Nc1ccccc
    1C2(O)C)C(=O)Nc3cc4)N5CCC(O)CC5    		 (2E,3S)-3-HYDROXY-5'-[(4-HYDROXYPIPERIDIN-1-YL)SULFONYL]-3-METHYL-1,3-DIHYDRO-2,3'-BIINDOL-2'(1'H)-ONE
    35363 RYV
    CHEMBL310253    		 1 C9 H12 N2 O3 S InChI=1S/C9H12N2O3S/c1-2-
    11-9(12)7-3-5-8(6-4-7)15(
    10,13)14/h3-6H,2H2,1H3,(H
    ,11,12)(H2,10,13,14);
    TVIHIVRFUPNIRD-UHFFFAOYSA-N    		 CCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCNC(=O)
    c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)c1ccc(C(
    =O)NCC)cc1    		 N-ethyl-4-sulfamoylbenzamide
    35364 RYW
    CHEMBL4847260    		 1 C29 H31 Cl F N5 O5 InChI=1S/C29H31ClFN5O5/c1
    -16(27(38)34-25(15-37)19-
    9-20(31)12-22(10-19)40-2)
    36-14-18-4-3-17(11-23(18)
    28(36)39)26-24(30)13-32-2
    9(35-26)33-21-5-7-41-8-6-
    21/h3-4,9-13,16,21,25,37H
    ,5-8,14-15H2,1-2H3,(H,34,
    38)(H,32,33,35)/t16-,25-/
    m1/s1;
    BVRGQPJKSKKGIH-PUAOIOHZSA-N    		 COc1cc(F)cc(c1)[C@@H](CO)NC(=O)[C@@H](C)
    N2Cc3ccc(cc3C2=O)c4nc(NC5CCOCC5)ncc4Cl;
    C[C@H](C(=O)N[C@H](CO)c1cc(cc(c1)F)OC)N2
    Cc3ccc(cc3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl;
    CC(C(=O)NC(CO)c1cc(cc(c1)F)OC)N2Cc3ccc(c
    c3C2=O)c4c(cnc(n4)NC5CCOCC5)Cl; COc1cc(F
    )cc(c1)[CH](CO)NC(=O)[CH](C)N2Cc3ccc(cc3
    C2=O)c4nc(NC5CCOCC5)ncc4Cl    		 (2~{R})-2-[5-[5-chloranyl-2-(oxan-4-ylamino)pyrimidin-4-yl]-3-oxidanylidene-1~{H}-isoindol-2-yl]-~{N}-[(1~{S})-1-(3-fluoranyl-5-methoxy-phenyl)-2-oxidanyl-ethyl]propanamide;
    ASTX029
    35365 RYX
    CHEMBL75113
    ZINC000013603126    		 1 C10 H9 F5 N2 O3 S InChI=1S/C10H9F5N2O3S/c11
    -9(12,10(13,14)15)5-17-8(
    18)6-1-3-7(4-2-6)21(16,19
    )20/h1-4H,5H2,(H,17,18)(H
    2,16,19,20);
    XRWFNUPDTKOWTL-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)
    (F)F; c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(
    =O)(=O)N; O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)
    C(F)(F)F)cc1    		 N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
    35366 RYY
    CHEMBL74090
    ZINC000001748006    		 2 C10 H14 N2 O3 S InChI=1S/C10H14N2O3S/c1-2
    -7-12-10(13)8-3-5-9(6-4-8
    )16(11,14)15/h3-6H,2,7H2,
    1H3,(H,12,13)(H2,11,14,15
    );
    YWNDDZRHHBUBPB-UHFFFAOYSA-N    		 CCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; O=S(=O)
    (N)c1ccc(C(=O)NCCC)cc1; CCCNC(=O)c1ccc(c
    c1)S(=O)(=O)N    		 N-propyl-4-sulfamoylbenzamide
    35367 RYZ
    CHEMBL309012
    ZINC000013603129    		 1 C11 H9 F7 N2 O3 S InChI=1S/C11H9F7N2O3S/c12
    -9(13,10(14,15)11(16,17)1
    8)5-20-8(21)6-1-3-7(4-2-6
    )24(19,22)23/h1-4H,5H2,(H
    ,20,21)(H2,19,22,23);
    NITAUHAUSHVTPT-UHFFFAOYSA-N    		 N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)
    (F)C(F)(F)F; c1cc(ccc1C(=O)NCC(C(C(F)(F)
    F)(F)F)(F)F)S(=O)(=O)N; O=S(=O)(N)c1ccc(
    C(=O)NCC(F)(F)C(F)(F)C(F)(F)F)cc1    		 N-(2,2,3,3,4,4,4-heptafluorobutyl)-4-sulfamoylbenzamide
    35368 RZ0
    CHEMBL75131    		 1 C11 H16 N2 O3 S InChI=1S/C11H16N2O3S/c1-2
    -3-8-13-11(14)9-4-6-10(7-
    5-9)17(12,15)16/h4-7H,2-3
    ,8H2,1H3,(H,13,14)(H2,12,
    15,16);
    QBMVMGJMEIVTPO-UHFFFAOYSA-N    		 CCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCCCNC
    (=O)c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)c1cc
    c(C(=O)NCCCC)cc1    		 N-butyl-4-sulfamoylbenzamide
    35369 RZ1
    ZINC000095920738    		 1 C12 H9 F9 N2 O3 S InChI=1S/C12H9F9N2O3S/c13
    -9(14,10(15,16)11(17,18)1
    2(19,20)21)5-23-8(24)6-1-
    3-7(4-2-6)27(22,25)26/h1-
    4H,5H2,(H,23,24)(H2,22,25
    ,26);
    OHMRMSKDZFRLDB-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F
    )(F)C(F)(F)F)cc1; N[S](=O)(=O)c1ccc(cc1)
    C(=O)NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F; c1
    cc(ccc1C(=O)NCC(C(C(C(F)(F)F)(F)F)(F)F)(
    F)F)S(=O)(=O)N    		 N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-4-sulfamoylbenzamide
    35370 RZ4
    ZINC000002168271    		 0 C7 H15 N O3 InChI=1S/C7H15NO3/c1-7(2,
    3)11-4-5(8)6(9)10/h5H,4,8
    H2,1-3H3,(H,9,10)/t5-/m0/
    s1;
    DDCPKNYKNWXULB-YFKPBYRVSA-N    		 CC(C)(C)OC[C@H](N)C(O)=O; O=C(O)C(N)COC(
    C)(C)C; CC(C)(C)OC[C@@H](C(=O)O)N; CC(C)
    (C)OC[CH](N)C(O)=O; CC(C)(C)OCC(C(=O)O)N    		 O-tert-butyl-L-serine
    35371 RZ5
    CHEMBL149507    		 1 C12 H18 N2 O3 S InChI=1S/C12H18N2O3S/c1-2
    -3-4-9-14-12(15)10-5-7-11
    (8-6-10)18(13,16)17/h5-8H
    ,2-4,9H2,1H3,(H,14,15)(H2
    ,13,16,17);
    KESWXTXQYSIIJQ-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCCCCC)cc1; CCCCCNC
    (=O)c1ccc(cc1)[S](N)(=O)=O; CCCCCNC(=O)c
    1ccc(cc1)S(=O)(=O)N    		 N-pentyl-4-sulfamoylbenzamide
    35372 RZ7
    ZINC000095920737    		 1 C13 H9 F11 N2 O3 S InChI=1S/C13H9F11N2O3S/c1
    4-9(15,10(16,17)11(18,19)
    12(20,21)13(22,23)24)5-26
    -8(27)6-1-3-7(4-2-6)30(25
    ,28)29/h1-4H,5H2,(H,26,27
    )(H2,25,28,29);
    UNQYCDLUSWEEGH-UHFFFAOYSA-N    		 O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)C(F
    )(F)C(F)(F)C(F)(F)F)cc1; c1cc(ccc1C(=O)N
    CC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)S(
    =O)(=O)N; N[S](=O)(=O)c1ccc(cc1)C(=O)NCC
    (F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F    		 4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
    35373 RZ8
    CHEMBL72963
    ZINC000013603120    		 1 C13 H20 N2 O3 S InChI=1S/C13H20N2O3S/c1-2
    -3-4-5-10-15-13(16)11-6-8
    -12(9-7-11)19(14,17)18/h6
    -9H,2-5,10H2,1H3,(H,15,16
    )(H2,14,17,18);
    KLHBIQFDNTURJX-UHFFFAOYSA-N    		 CCCCCCNC(=O)c1ccc(cc1)[S](N)(=O)=O; CCCC
    CCNC(=O)c1ccc(cc1)S(=O)(=O)N; O=S(=O)(N)
    c1ccc(C(=O)NCCCCCC)cc1    		 N-hexyl-4-sulfamoylbenzamide
    35374 RZ9 1 C13 H14 N6 O2 InChI=1S/C13H14N6O2/c20-1
    3-18-17-12(21-13)8-2-1-5-
    19(6-8)11-9-3-4-14-10(9)1
    5-7-16-11/h3-4,7-8H,1-2,5
    -6H2,(H,18,20)(H,14,15,16
    )/t8-/m0/s1;
    FSJZPCQWTVULBE-QMMMGPOBSA-N    		 c1c[nH]c2c1c(ncn2)N3CCCC(C3)C4=NNC(=O)O4
    ; O=C1NN=C(O1)C1CN(CCC1)c1ncnc2[NH]ccc21
    ; O=C1NN=C(O1)[CH]2CCCN(C2)c3ncnc4[nH]cc
    c34; c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)C4
    =NNC(=O)O4; O=C1NN=C(O1)[C@H]2CCCN(C2)c3
    ncnc4[nH]ccc34    		 5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one
    35375 RZA
    CHEMBL4798024    		 2 C15 H17 F3 N4 O3 InChI=1S/C15H17F3N4O3/c1-
    7-10(23)6-22(7)14-8(3-19)
    9(15(16,17)18)2-13(20-14)
    21-4-11(24)12(25)5-21/h2,
    7,10-12,23-25H,4-6H2,1H3/
    t7-,10+,11-,12+/m0/s1;
    HARCSJOAFSSBOB-FPQWWODTSA-N    		 CC1C(CN1c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F
    )F)C#N)O; C[CH]1[CH](O)CN1c2nc(cc(c2C#N)
    C(F)(F)F)N3C[CH](O)[CH](O)C3; C[C@H]1[C@
    H](O)CN1c2nc(cc(c2C#N)C(F)(F)F)N3C[C@H](
    O)[C@H](O)C3; C[C@H]1[C@@H](CN1c2c(c(cc(
    n2)N3C[C@H]([C@H](C3)O)O)C(F)(F)F)C#N)O    		 6-[(3~{R},4~{S})-3,4-bis(oxidanyl)pyrrolidin-1-yl]-2-[(2~{S},3~{R})-2-methyl-3-oxidanyl-azetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
    35376 RZB
    CHEMBL4858542
    ZINC000584625831    		 1 C17 H16 Cl N5 O3 InChI=1S/C17H16ClN5O3/c18
    -12-3-7-15(8-4-12)26-14-5
    -1-11(2-6-14)17-20-22-23(
    21-17)10-13(19)9-16(24)25
    /h1-8,13H,9-10,19H2,(H,24
    ,25)/t13-/m1/s1;
    VSQILWJHLPJYGP-CYBMUJFWSA-N    		 c1cc(ccc1c2nnn(n2)CC(CC(=O)O)N)Oc3ccc(cc
    3)Cl; N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc
    3)cc2)CC(O)=O; c1cc(ccc1c2nnn(n2)C[C@@H]
    (CC(=O)O)N)Oc3ccc(cc3)Cl; N[C@@H](Cn1nnc
    (n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O    		 (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
    35377 RZC 1 C21 H19 Cl2 N3 O2 S InChI=1S/C21H19Cl2N3O2S/c
    1-21(2,28-15-6-7-16(22)17
    (23)10-15)20(27)26-14-5-3
    -4-12(8-14)13-9-18(19(24)
    25)29-11-13/h3-11H,1-2H3,
    (H3,24,25)(H,26,27);
    ZMABEZJRHJFFQS-UHFFFAOYSA-N    		 CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc
    3ccc(c(c3)Cl)Cl; CC(C)(Oc1ccc(Cl)c(Cl)c1
    )C(=O)Nc2cccc(c2)c3csc(c3)C(N)=N; [H]/N=
    C(/c1cc(cs1)c2cccc(c2)NC(=O)C(C)(C)Oc3cc
    c(c(c3)Cl)Cl)\N    		 2-[3,4-bis(chloranyl)phenoxy]-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
    35378 RZD
    ZINC000098209382    		 1 C20 H29 N4 O6 P InChI=1S/C20H29N4O6P/c1-1
    4(25)23-16(13-30-31(27,28
    )29)12-24-10-4-7-19(24)20
    (26)21-9-8-15-11-22-18-6-
    3-2-5-17(15)18/h2-3,5-6,1
    1,16,19,22H,4,7-10,12-13H
    2,1H3,(H,21,26)(H,23,25)(
    H2,27,28,29)/t16-,19+/m1/
    s1;
    FDBFLFSQEGXOJR-APWZRJJASA-N    		 CC(=O)NC(CN1CCCC1C(=O)NCCc2c[nH]c3c2cccc
    3)COP(=O)(O)O; CC(=O)N[C@@H](CO[P](O)(O)
    =O)CN1CCC[C@H]1C(=O)NCCc2c[nH]c3ccccc23;
    CC(=O)N[C@H](C[N@@]1CCC[C@H]1C(=O)NCCc2
    c[nH]c3c2cccc3)COP(=O)(O)O; CC(=O)N[CH](
    CO[P](O)(O)=O)CN1CCC[CH]1C(=O)NCCc2c[nH]
    c3ccccc23; O=P(O)(O)OCC(NC(=O)C)CN3C(C(=
    O)NCCc2c1ccccc1nc2)CCC3    		 (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate
    35379 RZE
    CHEMBL4852381    		 1 C16 H14 Cl F N6 O3 InChI=1S/C16H14ClFN6O3/c1
    7-10-5-13(18)16(20-7-10)2
    7-12-3-1-9(2-4-12)15-21-2
    3-24(22-15)8-11(19)6-14(2
    5)26/h1-5,7,11H,6,8,19H2,
    (H,25,26)/t11-/m0/s1;
    ZEGMEJVULDALSH-NSHDSACASA-N    		 c1cc(ccc1c2nnn(n2)C[C@H](CC(=O)O)N)Oc3c(
    cc(cn3)Cl)F; c1cc(ccc1c2nnn(n2)CC(CC(=O)
    O)N)Oc3c(cc(cn3)Cl)F; N[C@H](Cn1nnc(n1)c
    2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O; N[CH](C
    n1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=
    O    		 (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
    35380 RZF 2 C24 H20 Cl2 N4 O3 InChI=1S/C24H20Cl2N4O3/c1
    -27-21(31)12-29-13-24(19-
    9-16(26)4-5-17(19)22(29)3
    2)6-7-30(23(24)33)20-11-2
    8-10-14-2-3-15(25)8-18(14
    )20/h2-5,8-11H,6-7,12-13H
    2,1H3,(H,27,31)/t24-/m1/s
    1;
    JZJCSVMJFIAMQB-XMMPIXPASA-N    		 CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc
    4)Cl)c5cc(ccc5C1=O)Cl; CNC(=O)CN1CC2(CCN
    (C2=O)c3cncc4c3cc(cc4)Cl)c5cc(ccc5C1=O)C
    l; CNC(=O)CN1C[C]2(CCN(C2=O)c3cncc4ccc(C
    l)cc34)c5cc(Cl)ccc5C1=O; CNC(=O)CN1C[C@]
    2(CCN(C2=O)c3cncc4ccc(Cl)cc34)c5cc(Cl)cc
    c5C1=O; Clc1cc2c(cc1)cncc2N1CCC2(CN(CC(=
    O)NC)C(=O)c3ccc(Cl)cc32)C1=O    		 2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide
    35381 RZG
    CHEMBL148763
    ZINC000000106888    		 6 C8 H9 N O4 S InChI=1S/C8H9NO4S/c1-13-8
    (10)6-2-4-7(5-3-6)14(9,11
    )12/h2-5H,1H3,(H2,9,11,12
    );
    XLOVNJUCAFIANM-UHFFFAOYSA-N    		 COC(=O)c1ccc(cc1)S(=O)(=O)N; COC(=O)c1cc
    c(cc1)[S](N)(=O)=O    		 methyl 4-sulfamoylbenzoate
    35382 RZH
    ZINC000001235022    		 1 C13 H17 Br N2 InChI=1S/C13H17BrN2/c1-3-
    9-6-10(14)7-12-11(4-5-15)
    8(2)16-13(9)12/h6-7,16H,3
    -5,15H2,1-2H3;
    ACKQOFWBYVUXTK-UHFFFAOYSA-N    		 CCc1cc(cc2c1[nH]c(c2CCN)C)Br; CCc1cc(Br)
    cc2c(CCN)c(C)[nH]c12    		 2-(5-BROMO-7-ETHYL-2-METHYL-1H-INDOLE-3-YL)ETHAN-1-AMIN
    35383 RZI 2 C12 H13 N7 S InChI=1S/C12H13N7S/c13-9-
    8-10(18-12(14)17-9)19(5-1
    5-8)3-7-4-20-11(16-7)6-1-
    2-6/h4-6H,1-3H2,(H4,13,14
    ,17,18);
    TXIARNZSMRYOQY-UHFFFAOYSA-N    		 Nc1nc(N)nc2c1ncn2Cc1csc(n1)C1CC1; Nc1nc(
    N)c2ncn(Cc3csc(n3)C4CC4)c2n1; c1c(nc(s1)
    C2CC2)Cn3cnc4c3nc(nc4N)N    		 9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine
    35384 RZJ
    ZINC000074941908    		 3 C10 H14 N2 O2 S InChI=1S/C10H14N2O2S/c1-1
    2-6-2-3-8-4-5-9(7-10(8)12
    )15(11,13)14/h4-5,7H,2-3,
    6H2,1H3,(H2,11,13,14);
    OUJFDUTZTPBMDN-UHFFFAOYSA-N    		 CN1CCCc2c1cc(cc2)S(=O)(=O)N; CN1CCCc2ccc
    (cc12)[S](N)(=O)=O    		 1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide
    35385 RZK
    CHEMBL4875329    		 1 C10 H13 N5 O InChI=1S/C10H13N5O/c1-16-
    9-4-2-8(3-5-9)10-12-14-15
    (13-10)7-6-11/h2-5H,6-7,1
    1H2,1H3;
    FHPKDNRSYHKLSG-UHFFFAOYSA-N    		 COc1ccc(cc1)c2nnn(n2)CCN; COc1ccc(cc1)c2
    nnn(CCN)n2    		 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
    35386 RZL 1 C21 H20 Br N3 O2 S InChI=1S/C21H20BrN3O2S/c1
    -21(2,27-17-8-6-15(22)7-9
    -17)20(26)25-16-5-3-4-13(
    10-16)14-11-18(19(23)24)2
    8-12-14/h3-12H,1-2H3,(H3,
    23,24)(H,25,26);
    BDZZOEARWYDXMO-UHFFFAOYSA-N    		 CC(C)(C(=O)Nc1cccc(c1)c2cc(sc2)C(=N)N)Oc
    3ccc(cc3)Br; [H]/N=C(/c1cc(cs1)c2cccc(c2
    )NC(=O)C(C)(C)Oc3ccc(cc3)Br)\N; CC(C)(Oc
    1ccc(Br)cc1)C(=O)Nc2cccc(c2)c3csc(c3)C(N
    )=N    		 2-(4-bromanylphenoxy)-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-2-methyl-propanamide
    35387 RZM
    CHEMBL3786370
    ZINC000139526996    		 2 C12 H23 N O9 InChI=1S/C12H23NO9/c14-1-
    4-7(17)11(5(2-15)13-4)22-
    12-10(20)9(19)8(18)6(3-16
    )21-12/h4-20H,1-3H2/t4-,5
    -,6-,7-,8-,9+,10-,11-,12-
    /m1/s1;
    AZDBETUGBOOBRU-BBFNFCGLSA-N    		 C(C1C(C(C(N1)CO)OC2C(C(C(C(O2)CO)O)O)O)O
    )O; OC[C@H]1N[C@H](CO)[C@@H](O[C@H]2O[C@
    H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H]1O;
    OC[CH]1N[CH](CO)[CH](O[CH]2O[CH](CO)[CH
    ](O)[CH](O)[CH]2O)[CH]1O; O(C1C(O)C(NC1C
    O)CO)C2OC(C(O)C(O)C2O)CO; C([C@@H]1[C@H]
    ([C@@H]([C@H](N1)CO)O[C@@H]2[C@@H]([C@H]
    ([C@@H]([C@H](O2)CO)O)O)O)O)O    		 (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucopyranoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl alpha-D-glucoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl D-glucoside;
    (2R,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-3-yl glucoside
    35388 RZN
    CHEMBL4850613
    ZINC000000346020    		 1 C13 H12 O2 InChI=1S/C13H12O2/c14-10-
    11-6-8-13(9-7-11)15-12-4-
    2-1-3-5-12/h1-9,14H,10H2;
    FEOMFFKZOZMBKD-UHFFFAOYSA-N    		 c1ccc(cc1)Oc2ccc(cc2)CO; OCc1ccc(Oc2cccc
    c2)cc1    		 (4-phenoxyphenyl)methanol
    35389 RZO 1 C6 H12 Cl2 O7 P2 InChI=1S/C6H12Cl2O7P2/c1-
    5(4-9)2-3-15-17(13,14)6(7
    ,8)16(10,11)12/h2,9H,3-4H
    2,1H3,(H,13,14)(H2,10,11,
    12)/b5-2+;
    ANMIMWNFRRKSMF-GORDUTHDSA-N    		 CC(=CCOP(=O)(C(P(=O)(O)O)(Cl)Cl)O)CO; C/
    C(=C\COP(=O)(C(P(=O)(O)O)(Cl)Cl)O)/CO; C
    C(CO)=CCO[P](O)(=O)C(Cl)(Cl)[P](O)(O)=O;
    CC(/CO)=C\CO[P](O)(=O)C(Cl)(Cl)[P](O)(O
    )=O    		 [bis(chloranyl)-[[(E)-3-methyl-4-oxidanyl-but-2-enoxy]-oxidanyl-phosphoryl]methyl]phosphonic acid
    35390 RZP 7 C12 H21 N O12 P2 InChI=1S/C12H21NO12P2/c1-
    7(14)13-9(3-5-11(17)18)26
    (21,25-27(22,23)24)6-8(12
    (19)20)2-4-10(15)16/h8-9H
    ,2-6H2,1H3,(H,13,14)(H,15
    ,16)(H,17,18)(H,19,20)(H2
    ,22,23,24)/t8-,9-,26-/m1/
    s1;
    UGEFVXZLVYNKBK-IFMBPYNJSA-N    		 CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=O)O)C(=O
    )O)OP(=O)(O)O; CC(=O)N[C@@H](CCC(O)=O)[P
    @@](=O)(C[C@@H](CCC(O)=O)C(O)=O)O[P](O)(
    O)=O; CC(=O)N[CH](CCC(O)=O)[P](=O)(C[CH]
    (CCC(O)=O)C(O)=O)O[P](O)(O)=O; CC(=O)N[C
    @@H](CCC(=O)O)[P@@](=O)(C[C@@H](CCC(=O)O
    )C(=O)O)OP(=O)(O)O    		 (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
    35391 RZR 1 C19 H19 N3 O4 InChI=1S/C19H19N3O4/c1-20
    -19(26)21-13-8-6-11(7-9-1
    3)17(23)22-16-14-5-3-2-4-
    12(14)10-15(16)18(24)25/h
    2-9,15-16H,10H2,1H3,(H,22
    ,23)(H,24,25)(H2,20,21,26
    )/t15-,16-/m0/s1;
    BAKOSBATOMEZBB-HOTGVXAUSA-N    		 CNC(=O)Nc1ccc(cc1)C(=O)N[CH]2[CH](Cc3ccc
    cc23)C(O)=O; CNC(=O)Nc1ccc(cc1)C(=O)NC2c
    3ccccc3CC2C(=O)O; CNC(=O)Nc1ccc(cc1)C(=O
    )N[C@H]2c3ccccc3C[C@@H]2C(=O)O; CNC(=O)N
    c1ccc(cc1)C(=O)N[C@@H]2[C@H](Cc3ccccc23)
    C(O)=O; CNC(=O)Nc1ccc(cc1)C(=O)NC1c2cccc
    c2CC1C(=O)O    		 (1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid
    35392 RZS
    ZINC000019483176    		 6 C8 H9 N3 InChI=1S/C8H9N3/c1-2-10-8
    -4-3-7(5-9)6-11-8/h3-4,6H
    ,2H2,1H3,(H,10,11);
    MVJDUNKELBBNKM-UHFFFAOYSA-N    		 CCNc1ccc(cn1)C#N 6-(ethylamino)pyridine-3-carbonitrile
    35393 RZT 1 C24 H25 Cl N4 O2 S InChI=1S/C24H25ClN4O2S/c2
    5-17-4-6-20(7-5-17)31-24(
    10-8-18(26)9-11-24)23(30)
    29-19-3-1-2-15(12-19)16-1
    3-21(22(27)28)32-14-16/h1
    -7,12-14,18H,8-11,26H2,(H
    3,27,28)(H,29,30)/t18-,24
    +;
    YXEQPZNNSMUOEW-OWWJJEGGSA-N    		 N[C@H]1CC[C@](CC1)(Oc2ccc(Cl)cc2)C(=O)Nc
    3cccc(c3)c4csc(c4)C(N)=N; N[CH]1CC[C](CC
    1)(Oc2ccc(Cl)cc2)C(=O)Nc3cccc(c3)c4csc(c
    4)C(N)=N; c1cc(cc(c1)NC(=O)C2(CCC(CC2)N)
    Oc3ccc(cc3)Cl)c4cc(sc4)C(=N)N; [H]/N=C(/
    c1cc(cs1)c2cccc(c2)NC(=O)C3(CCC(CC3)N)Oc
    4ccc(cc4)Cl)\N    		 4-azanyl-~{N}-[3-(5-carbamimidoylthiophen-3-yl)phenyl]-1-(4-chloranylphenoxy)cyclohexane-1-carboxamide
    35394 RZU 4 C26 H23 Cl N4 O3 InChI=1S/C26H23ClN4O3/c1-
    28-23(33)26(8-9-26)31-15-
    25(20-12-17(27)6-7-19(20)
    22(31)32)10-11-30(24(25)3
    4)21-14-29-13-16-4-2-3-5-
    18(16)21/h2-7,12-14H,8-11
    ,15H2,1H3,(H,28,33)/t25-/
    m1/s1;
    FLEUPKADUSMVNQ-RUZDIDTESA-N    		 CNC(=O)C1(CC1)N2CC3(CCN(C3=O)c4cncc5c4cc
    cc5)c6cc(ccc6C2=O)Cl; CNC(=O)C1(CC1)N2C[
    C@]3(CCN(C3=O)c4cncc5ccccc45)c6cc(Cl)ccc
    6C2=O; CNC(=O)C1(CC1)N1CC2(CCN(C2=O)c2cn
    cc3ccccc32)c2cc(Cl)ccc2C1=O; CNC(=O)C1(C
    C1)N2C[C@]3(CCN(C3=O)c4cncc5c4cccc5)c6cc
    (ccc6C2=O)Cl; CNC(=O)C1(CC1)N2C[C]3(CCN(
    C3=O)c4cncc5ccccc45)c6cc(Cl)ccc6C2=O    		 1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide
    35395 RZV
    ZINC000096273092    		 1 C12 H20 N O9 P InChI=1S/C12H20NO9P/c1-7(
    14)13-9(3-5-11(17)18)23(2
    1,22)6-8(12(19)20)2-4-10(
    15)16/h8-9H,2-6H2,1H3,(H,
    13,14)(H,15,16)(H,17,18)(
    H,19,20)(H,21,22)/t8-,9-/
    m1/s1;
    ZYUHYZCJHIQCIO-RKDXNWHRSA-N    		 CC(=O)N[C@@H](CCC(=O)O)P(=O)(C[C@@H](CCC
    (=O)O)C(=O)O)O; CC(=O)N[CH](CCC(O)=O)[P]
    (O)(=O)C[CH](CCC(O)=O)C(O)=O; CC(=O)N[C@
    @H](CCC(O)=O)[P](O)(=O)C[C@@H](CCC(O)=O)
    C(O)=O; CC(=O)NC(CCC(=O)O)P(=O)(CC(CCC(=
    O)O)C(=O)O)O    		 (2~{S})-2-[[[(1~{R})-1-acetamido-4-oxidanyl-4-oxidanylidene-butyl]-oxidanyl-phosphoryl]methyl]pentanedioic acid
    35396 RZW
    CHEMBL449065
    ZINC000040829644    		 6 C14 H17 N O4 InChI=1S/C14H17NO4/c1-8-6
    -11(16)15(2)13-9(17-3)7-1
    0(18-4)14(19-5)12(8)13/h6
    -7H,1-5H3;
    PJUNWPXRLZUYPB-UHFFFAOYSA-N    		 O=C2C=C(c1c(OC)c(OC)cc(OC)c1N2C)C; COc1c
    c(OC)c2N(C)C(=O)C=C(C)c2c1OC; CC1=CC(=O)
    N(c2c1c(c(cc2OC)OC)OC)C    		 5,6,8-trimethoxy-1,4-dimethylquinolin-2(1H)-one
    35397 RZX
    CHEMBL1615209
    DB13762
    ZINC000001530935    		 1 C18 H21 N3 O3 S InChI=1S/C18H21N3O3S/c1-1
    3-16(19-9-8-17(13)24-11-5
    -10-23-2)12-25(22)18-20-1
    4-6-3-4-7-15(14)21-18/h3-
    4,6-9H,5,10-12H2,1-2H3,(H
    ,20,21)/t25-/m1/s1;
    YREYEVIYCVEVJK-RUZDIDTESA-N    		 Cc1c(ccnc1C[S@@](=O)c2[nH]c3ccccc3n2)OCC
    COC; COCCCOc1ccnc(C[S](=O)c2[nH]c3ccccc3
    n2)c1C; O=S(c2nc1ccccc1n2)Cc3nccc(OCCCOC
    )c3C; Cc1c(ccnc1CS(=O)c2[nH]c3ccccc3n2)O
    CCCOC; COCCCOc1ccnc(C[S@@](=O)c2[nH]c3cc
    ccc3n2)c1C    		 2-[(R)-{[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methyl}sulfinyl]-1H-benzimidazole;
    Rabeprazole
    35398 RZY 1 C10 H19 N O10 P2 InChI=1S/C10H19NO10P2/c1-
    6(12)11-7(2)22(17,21-23(1
    8,19)20)5-8(10(15)16)3-4-
    9(13)14/h7-8H,3-5H2,1-2H3
    ,(H,11,12)(H,13,14)(H,15,
    16)(H2,18,19,20)/t7-,8+,2
    2+/m0/s1;
    LWXGQCMUFYLATN-GADVLXDNSA-N    		 C[C@@H](NC(C)=O)[P@@](=O)(C[C@@H](CCC(O)
    =O)C(O)=O)O[P](O)(O)=O; C[C@@H](NC(=O)C)
    [P@@](=O)(C[C@@H](CCC(=O)O)C(=O)O)OP(=O)
    (O)O; CC(NC(=O)C)P(=O)(CC(CCC(=O)O)C(=O)
    O)OP(=O)(O)O; C[CH](NC(C)=O)[P](=O)(C[CH
    ](CCC(O)=O)C(O)=O)O[P](O)(O)=O    		 (2~{S})-2-[[[(1~{S})-1-acetamidoethyl]-phosphonooxy-phosphoryl]methyl]pentanedioic acid
    35399 RZZ
    CHEMBL4539935
    ZINC000169807767    		 1 C8 H7 B O4 InChI=1S/C8H7BO4/c10-8(11
    )5-1-2-6-4-13-9(12)7(6)3-
    5/h1-3,12H,4H2,(H,10,11);
    VXDGEAYKTHEYPI-UHFFFAOYSA-N    		 B1(c2cc(ccc2CO1)C(=O)O)O; OB1OCc2ccc(cc1
    2)C(O)=O    		 1-Hydroxy-1,3-dihydro-2,1-benzoxaborole-6-carboxylic acid;
    1-methyl-3H-2,1-benzoxaborole-6-carboxylic acid;
    1-Hydroxy-1,3-dihydrobenzo[c][1,2]oxaborole-6-carboxylic acid;
    5-Carboxybenzoboroxole;
    2,1-Benzoxaborole-6-carboxylic acid, 1,3-dihydro-1-hydroxy-
    35400 S 0 S InChI=1/H2S/h1H2;
    RWSOTUBLDIXVET-UHFFFAOYAJ    		 S; [S] SULFUR ATOM
    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)(download the PDF file).
  • 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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