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N0N

N0N
Name:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O6 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCCN[CH]3[CH](O)[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O6S/c1-27(2)19-11-7-10-17-16(19)9-8-12-20(17)34(32,33)26-14-6-4-3-5-13-25-21-18(15-28)22(29)24(31)23(21)30/h7-12,18,21-26,28-31H,3-6,13-15H2,1-2H3/t18-,21+,22-,23-,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[[(1~{R},2~{R},3~{S},4~{S},5~{S})-2-(hydroxymethyl)-3,4,5-tris(oxidanyl)cyclopentyl]amino]hexyl]naphthalene-1-sulfonamide

N0Q

N0Q
Name:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20+,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{R},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

N0T

N0T
Name:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol
Formula:	C14 H29 N O4
SMILES:	CCCCCCCCN[CH]1[CH](O)[CH](O)[CH](O)[CH]1CO
InChi:	InChI=1S/C14H29NO4/c1-2-3-4-5-6-7-8-15-11-10(9-16)12(17)14(19)13(11)18/h10-19H,2-9H2,1H3/t10-,11+,12-,13-,14-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(1~{S},2~{S},3~{S},4~{R},5~{R})-4-(hydroxymethyl)-5-(octylamino)cyclopentane-1,2,3-triol

N0W

N0W
Name:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide
Formula:	C24 H37 N3 O5 S
SMILES:	CN(C)c1cccc2c1cccc2[S](=O)(=O)NCCCCCC[CH]3NC[CH](O)[CH](O)[CH]3CO
InChi:	InChI=1S/C24H37N3O5S/c1-27(2)21-12-7-10-18-17(21)9-8-13-23(18)33(31,32)26-14-6-4-3-5-11-20-19(16-28)24(30)22(29)15-25-20/h7-10,12-13,19-20,22,24-26,28-30H,3-6,11,14-16H2,1-2H3/t19-,20-,22+,24-/m0/s1
Definition date:	2019-11-04
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	5-(dimethylamino)-~{N}-[6-[(2~{S},3~{R},4~{S},5~{R})-3-(hydroxymethyl)-4,5-bis(oxidanyl)piperidin-2-yl]hexyl]naphthalene-1-sulfonamide

N1E

N1E
Name:	methyl quinoline-6-carboxylate
Formula:	C11 H9 N O2
SMILES:	COC(=O)c1ccc2ncccc2c1
InChi:	InChI=1S/C11H9NO2/c1-14-11(13)9-4-5-10-8(7-9)3-2-6-12-10/h2-7H,1H3
Definition date:	2019-11-06
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	methyl quinoline-6-carboxylate

M9Z

M9Z
Name:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C24 H28 N8 O4 S
SMILES:	CN(C1=C(NCCCn2cc(CN)nn2)N(Cc3ccccc3)C(=O)NC1=O)[S](=O)(=O)c4ccccc4
InChi:	InChI=1S/C24H28N8O4S/c1-30(37(35,36)20-11-6-3-7-12-20)21-22(26-13-8-14-31-17-19(15-25)28-29-31)32(24(34)27-23(21)33)16-18-9-4-2-5-10-18/h2-7,9-12,17,26H,8,13-16,25H2,1H3,(H,27,33,34)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-[3-[4-(aminomethyl)-1,2,3-triazol-1-yl]propylamino]-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

MBK

MBK
Name:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide
Formula:	C22 H26 Br N5 O4 S
SMILES:	CN(C1=C(NCCCCN)N(Cc2ccc(Br)cc2)C(=O)NC1=O)[S](=O)(=O)c3ccccc3
InChi:	InChI=1S/C22H26BrN5O4S/c1-27(33(31,32)18-7-3-2-4-8-18)19-20(25-14-6-5-13-24)28(22(30)26-21(19)29)15-16-9-11-17(23)12-10-16/h2-4,7-12,25H,5-6,13-15,24H2,1H3,(H,26,29,30)
Definition date:	2019-10-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	~{N}-[6-(4-azanylbutylamino)-1-[(4-bromophenyl)methyl]-2,4-bis(oxidanylidene)pyrimidin-5-yl]-~{N}-methyl-benzenesulfonamide

PKP

PKP
Name:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one
Formula:	C21 H18 Cl N O3 S
SMILES:	C1C(C)(C)CC(=C(C1=O)c2ccc(cc2)Oc3nc4c(s3)cc(cc4)Cl)O
InChi:	InChI=1S/C21H18ClNO3S/c1-21(2)10-16(24)19(17(25)11-21)12-3-6-14(7-4-12)26-20-23-15-8-5-13(22)9-18(15)27-20/h3-9,24H,10-11H2,1-2H3
Definition date:	2019-08-14
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4'-[(6-chloro-1,3-benzothiazol-2-yl)oxy]-6-hydroxy-4,4-dimethyl-4,5-dihydro[1,1'-biphenyl]-2(3H)-one

POJ

POJ
Name:	N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea
Formula:	C23 H27 F3 N4 O4 S
SMILES:	c2(ccc(NC(Nc1ccc(cc1)C(F)(F)F)=O)cc2)S(N4CCCC4CN3CCOCC3)(=O)=O
InChi:	InChI=1S/C23H27F3N4O4S/c24-23(25,26)17-3-5-18(6-4-17)27-22(31)28-19-7-9-21(10-8-19)35(32,33)30-11-1-2-20(30)16-29-12-14-34-15-13-29/h3-10,20H,1-2,11-16H2,(H2,27,28,31)/t20-/m0/s1
Definition date:	2019-08-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	N-[4-({(2S)-2-[(morpholin-4-yl)methyl]pyrrolidin-1-yl}sulfonyl)phenyl]-N'-[4-(trifluoromethyl)phenyl]urea

6BV

6BV
Name:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol
Formula:	C12 H22 O10 S
SMILES:	OC[CH]1O[CH](S[CH]2[CH](O)[CH](O)O[CH](CO)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11-,12+/m1/s1
Definition date:	2019-10-02
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanyl-oxane-2,3,5-triol

BV6

BV6
Name:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol
Formula:	C18 H25 N O12 S
SMILES:	OC[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](S[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]1O
InChi:	InChI=1S/C18H25NO12S/c20-5-9-11(22)13(24)14(25)18(31-9)32-16-12(23)10(6-21)30-17(15(16)26)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10+,11-,12+,13+,14-,15+,16+,17-,18+/m1/s1
Definition date:	2019-03-10
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol

8Y1

8Y1
Name:	6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
Formula:	C20 H19 N3 O S
SMILES:	NCC(c1ccccc1)N3CCc2c(csc2C3=O)c4cnccc4
InChi:	InChI=1S/C20H19N3OS/c21-11-18(14-5-2-1-3-6-14)23-10-8-16-17(13-25-19(16)20(23)24)15-7-4-9-22-12-15/h1-7,9,12-13,18H,8,10-11,21H2/t18-/m0/s1
Definition date:	2017-03-18
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	6-[(1R)-2-amino-1-phenylethyl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

8ZO

8ZO
Name:	prop-2-enyl (3R)-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate
Formula:	C12 H12 O4 S
SMILES:	C=CCOC(=O)[CH]1C[S](=O)(=O)c2ccccc12
InChi:	InChI=1S/C12H12O4S/c1-2-7-16-12(13)10-8-17(14,15)11-6-4-3-5-9(10)11/h2-6,10H,1,7-8H2/t10-/m1/s1
Definition date:	2017-11-13
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	prop-2-enyl (3~{R})-1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophene-3-carboxylate

91A

91A
Name:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one
Formula:	C18 H23 N3 O S
SMILES:	C(C(N2CCc3c(c1cccnc1)csc3C2=O)CN)C(C)C
InChi:	InChI=1S/C18H23N3OS/c1-12(2)8-14(9-19)21-7-5-15-16(11-23-17(15)18(21)22)13-4-3-6-20-10-13/h3-4,6,10-12,14H,5,7-9,19H2,1-2H3/t14-/m1/s1
Definition date:	2017-03-27
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	6-[(2R)-1-amino-4-methylpentan-2-yl]-3-(pyridin-3-yl)-5,6-dihydrothieno[2,3-c]pyridin-7(4H)-one

CJA

CJA
Name:	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one
Formula:	C17 H20 N2 O S3
SMILES:	c3c2c(c1c(SC)scc1CC2)nc(SCC(C(C)(C)C)=O)n3
InChi:	InChI=1S/C17H20N2OS3/c1-17(2,3)12(20)9-23-16-18-7-10-5-6-11-8-22-15(21-4)13(11)14(10)19-16/h7-8H,5-6,9H2,1-4H3
Definition date:	2017-09-26
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	3,3-dimethyl-1-{[9-(methylsulfanyl)-5,6-dihydrothieno[3,4-h]quinazolin-2-yl]sulfanyl}butan-2-one

MJW

MJW
Name:	2-phenylmethoxyaniline
Formula:	C13 H13 N O
SMILES:	Nc1ccccc1OCc2ccccc2
InChi:	InChI=1S/C13H13NO/c14-12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9H,10,14H2
Definition date:	2019-10-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-phenylmethoxyaniline

MKN

MKN
Name:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole
Formula:	C11 H8 N2 S2
SMILES:	[nH]1ccc(n1)c2sc(cc2)c3sccc3
InChi:	InChI=1S/C11H8N2S2/c1-2-10(14-7-1)11-4-3-9(15-11)8-5-6-12-13-8/h1-7H,(H,12,13)
Definition date:	2019-10-17
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	3-(5-thiophen-2-ylthiophen-2-yl)-1~{H}-pyrazole

MQB

MQB
Name:	2-(1-benzofuran-3-yl)ethanoic acid
Formula:	C10 H8 O3
SMILES:	OC(=O)Cc1coc2ccccc12
InChi:	InChI=1S/C10H8O3/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12)
Definition date:	2019-10-21
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	2-(1-benzofuran-3-yl)ethanoic acid

DO6

DO6
Name:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone
Formula:	C20 H20 O7
SMILES:	COc1ccc2c(oc(C)c2C(=O)c3cc(OC)c(OC)c(OC)c3)c1O
InChi:	InChI=1S/C20H20O7/c1-10-16(12-6-7-13(23-2)18(22)19(12)27-10)17(21)11-8-14(24-3)20(26-5)15(9-11)25-4/h6-9,22H,1-5H3
Definition date:	2019-08-16
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	(6-methoxy-2-methyl-7-oxidanyl-1-benzofuran-3-yl)-(3,4,5-trimethoxyphenyl)methanone

MUK

MUK
Name:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine
Formula:	C12 H13 N3
SMILES:	Cc1cc(C)nc(Nc2ccccc2)n1
InChi:	InChI=1S/C12H13N3/c1-9-8-10(2)14-12(13-9)15-11-6-4-3-5-7-11/h3-8H,1-2H3,(H,13,14,15)
Definition date:	2019-10-24
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine

P2J

P2J
Name:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine
Formula:	C19 H31 N7 O5
SMILES:	c2nc(N)c3ncn(C1OC(C(O)C1O)CN(CCC(C(O)=O)N)CCCCC)c3n2
InChi:	InChI=1S/C19H31N7O5/c1-2-3-4-6-25(7-5-11(20)19(29)30)8-12-14(27)15(28)18(31-12)26-10-24-13-16(21)22-9-23-17(13)26/h9-12,14-15,18,27-28H,2-8,20H2,1H3,(H,29,30)(H2,21,22,23)/t11-,12-,14-,15+,18-/m0/s1
Definition date:	2019-07-25
Last modified:	2020-08-14
Release date:	2020-08-19
Identifier:	9-(5-{[(3S)-3-amino-3-carboxypropyl](pentyl)amino}-5-deoxy-beta-L-arabinofuranosyl)-9H-purin-6-amine

P5T

P5T
Name:	Meta-Nidocarborane propyl-sulfonamide
Formula:	C5 H8 B9 N O2 S
SMILES:	N[S](=O)(=O)CCC[C+]123[B]45[B-]67[C]89[B]1%10[B]8%11%12[B]69%13[B]47%14[B]25%15[B]3%10%11[B]%12%13%14%15
InChi:	InChI=1S/C5H8B9NO2S/c15-18(16,17)3-1-2-5-6-4-7-8(5)12(5)11(5,6)9(4,6)10(4,7)13(7,8,12)14(9,10,11)12/h1-3H2,(H2,15,16,17)
Definition date:	2020-04-15
Last modified:	2020-08-14
Release date:	2020-08-19

P6Q

P6Q
Name:	Meta-Carborane propyl-sulfonamide
Formula:	C5 H8 B10 N O2 S
SMILES:	N[S](=O)(=O)CCC[C]123B4[B-]15[B+]67B8[B+]9%10B6[C+]57%11B%12[B-]9([B-]2%11%12)[B]348%10
InChi:	InChI=1S/C5H8B10NO2S/c16-19(17,18)3-1-2-4-8-11(4)5-6-10(4,5)14(6)13-7(5)12(5,11)9(13)15(4,8,13)14/h1-3H2,(H2,16,17,18)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P7H

P7H
Name:	Meta-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]5%11%12[B]8%13%14[B]9%15%16[B]16%10[B]2%15%17[B]3%18%19[B]47%11[B]%12%13%18[C]%14%16%17%19CCC[S](N)(=O)=O
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-9-8(4-2-6-26(20,23)24)10(7,9)12(7)14(8,10)16(8)13(8,9)11(7,9)15(7,12)17(11,13,16)18(12,14,15)16/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

P7Z

P7Z
Name:	Ortho-Carborane di-propyl-sulfonamide
Formula:	C8 H16 B10 N2 O4 S2
SMILES:	N[S](=O)(=O)CCC[C]1234[B]567[B]89%10[B]%11%12%13[B]58%14[B]%11%15%16[B]%12%17%18[B]9%13%19[B]16%10[B]2%17%19[C]3%15%18(CCC[S](N)(=O)=O)[B]47%14%16
InChi:	InChI=1S/C8H16B10N2O4S2/c19-25(21,22)5-1-3-7-8(4-2-6-26(20,23)24)9(7)11(7)12(7)10(7,8)14(8)13(8,9)15(9,11)17(11,12)16(10,12,14)18(13,14,15)17/h1-6H2,(H2,19,21,22)(H2,20,23,24)
Definition date:	2020-04-16
Last modified:	2020-08-14
Release date:	2020-08-19

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224572

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