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EEZ

EEZ
Name:	~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide
Formula:	C23 H23 Cl N2 O4 S
SMILES:	CC[S](=O)(=O)c1ccc(CC(=O)Nc2cnc(O[CH](C)c3ccccc3)c(Cl)c2)cc1
InChi:	InChI=1S/C23H23ClN2O4S/c1-3-31(28,29)20-11-9-17(10-12-20)13-22(27)26-19-14-21(24)23(25-15-19)30-16(2)18-7-5-4-6-8-18/h4-12,14-16H,3,13H2,1-2H3,(H,26,27)/t16-/m0/s1
Definition date:	2018-03-16
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N}-[5-chloranyl-6-[(1~{S})-1-phenylethoxy]pyridin-3-yl]-2-(4-ethylsulfonylphenyl)ethanamide

EF5

EF5
Name:	2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide
Formula:	C26 H22 N2 O4 S2
SMILES:	CC[S](=O)(=O)c1ccc(CC(=O)Nc2sc(C(=O)c3ccccc3)c(n2)c4ccccc4)cc1
InChi:	InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
Definition date:	2018-03-16
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-(4-ethylsulfonylphenyl)-~{N}-[4-phenyl-5-(phenylcarbonyl)-1,3-thiazol-2-yl]ethanamide

GWS

GWS
Name:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide
Formula:	C13 H18 N2 O
SMILES:	O=C(CC1CCCCC1)Nc2cccnc2
InChi:	InChI=1S/C13H18N2O/c16-13(9-11-5-2-1-3-6-11)15-12-7-4-8-14-10-12/h4,7-8,10-11H,1-3,5-6,9H2,(H,15,16)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide

GWV

GWV
Name:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline
Formula:	C12 H20 N2
SMILES:	CC(C)NCc1ccc(cc1)N(C)C
InChi:	InChI=1S/C12H20N2/c1-10(2)13-9-11-5-7-12(8-6-11)14(3)4/h5-8,10,13H,9H2,1-4H3
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline

GWY

GWY
Name:	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine
Formula:	C10 H14 Cl N3 O
SMILES:	CN(C[CH]1CCOC1)c2ncncc2Cl
InChi:	InChI=1S/C10H14ClN3O/c1-14(5-8-2-3-15-6-8)10-9(11)4-12-7-13-10/h4,7-8H,2-3,5-6H2,1H3/t8-/m0/s1
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine

GX4

GX4
Name:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone
Formula:	C14 H17 F N2 O
SMILES:	Fc1ccc(cc1)N2CCN(CC2)C(=O)C3CC3
InChi:	InChI=1S/C14H17FN2O/c15-12-3-5-13(6-4-12)16-7-9-17(10-8-16)14(18)11-1-2-11/h3-6,11H,1-2,7-10H2
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone

GX7

GX7
Name:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione
Formula:	C10 H15 N3 O2
SMILES:	N1C=C(C(NC1=O)=O)NC2CCCCC2
InChi:	InChI=1S/C10H15N3O2/c14-9-8(6-11-10(15)13-9)12-7-4-2-1-3-5-7/h6-7,12H,1-5H2,(H2,11,13,14,15)
Definition date:	2018-06-01
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	5-(cyclohexylamino)pyrimidine-2,4(1H,3H)-dione

H1V

H1V
Name:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}
Formula:	C44 H46 Cl2 N10 O4 S2
SMILES:	c7(c(c6C(c1ccc(cc1)Cl)=NC(CC(=O)NCCOCCOCCNC(CC2c5nnc(C)n5c4c(C(=N2)c3ccc(cc3)Cl)c(c(s4)C)C)=O)c8n(c6s7)c(nn8)C)C)C
InChi:	InChI=1S/C44H46Cl2N10O4S2/c1-23-25(3)61-43-37(23)39(29-7-11-31(45)12-8-29)49-33(41-53-51-27(5)55(41)43)21-35(57)47-15-17-59-19-20-60-18-16-48-36(58)22-34-42-54-52-28(6)56(42)44-38(24(2)26(4)62-44)40(50-34)30-9-13-32(46)14-10-30/h7-14,33-34H,15-22H2,1-6H3,(H,47,57)(H,48,58)/t33-,34-/m0/s1
Definition date:	2018-06-10
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	N,N'-[ethane-1,2-diylbis(oxyethane-2,1-diyl)]bis{2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]acetamide}

F7E

F7E
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate
Formula:	C16 H23 N5 O15 P2
SMILES:	C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4C(=O)NC(=Nc34)N)[CH](O)[CH](O)C1=O
InChi:	InChI=1S/C16H23N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,8-11,14-15,23-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5-,8-,9+,10-,11+,14-,15-/m1/s1
Definition date:	2018-06-06
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},6~{R})-6-methyl-3,4-bis(oxidanyl)-5-oxidanylidene-oxan-2-yl] hydrogen phosphate

R91

R91
Name:	1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
Formula:	C16 H20 F2 O4
SMILES:	FC(F)Oc2c(OC1CCOC1)cc(cc2)C(=O)CC(C)C
InChi:	InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m1/s1
Definition date:	2017-07-19
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-[4-(difluoromethoxy)-3-{[(3R)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one

9K0

9K0
Name:	(6R)-6-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]hept-1-en-3-one
Formula:	C26 H38 O3
SMILES:	O=C(C=C)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:	InChI=1S/C26H38O3/c1-5-21(27)11-8-17(2)22-12-13-23-20(7-6-14-26(22,23)4)10-9-19-15-24(28)18(3)25(29)16-19/h5,9-10,17,22-25,28-29H,1,3,6-8,11-16H2,2,4H3/b20-10+/t17-,22-,23+,24-,25-,26-/m1/s1
Definition date:	2018-05-17
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(6R)-6-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]hept-1-en-3-one

9KR

9KR
Name:	(E,7R)-7-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-2-en-4-one
Formula:	C27 H40 O3
SMILES:	O=C(C=CC)CCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:	InChI=1S/C27H40O3/c1-5-7-22(28)12-9-18(2)23-13-14-24-21(8-6-15-27(23,24)4)11-10-20-16-25(29)19(3)26(30)17-20/h5,7,10-11,18,23-26,29-30H,3,6,8-9,12-17H2,1-2,4H3/b7-5+,21-11+/t18-,23-,24+,25-,26-,27-/m1/s1
Definition date:	2018-05-22
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(2E,7R)-7-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-2-en-4-one

9N9

9N9
Name:	(E,2S)-2-[(1R,3aS,4E,7aR)-7a-methyl-4-[2-[(3R,5R)-4-methylidene-3,5-bis(oxidanyl)cyclohexylidene]ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]oct-6-en-4-yn-3-one
Formula:	C27 H36 O3
SMILES:	C2(C1CCC(C(C(=O)C#C[C@H]=CC)C)C1(CCC2)C)=C/C=C3CC(/C(C(C3)O)=C)O
InChi:	InChI=1S/C27H36O3/c1-5-6-7-10-24(28)18(2)22-13-14-23-21(9-8-15-27(22,23)4)12-11-20-16-25(29)19(3)26(30)17-20/h5-6,11-12,18,22-23,25-26,29-30H,3,8-9,13-17H2,1-2,4H3/b6-5+,21-12+/t18-,22+,23-,25+,26+,27+/m0/s1
Definition date:	2018-06-05
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(2S,6E)-2-[(1R,3R,7E,17beta)-1,3-dihydroxy-2-methylidene-9,10-secoestra-5,7-dien-17-yl]oct-6-en-4-yn-3-one

A5J

A5J
Name:	(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol
Formula:	C10 H18 N3 O15 P3
SMILES:	N(c1c(nc(c(c1)C2CC(O)C(O2)COP(=O)(O)OP(O)(=O)OP(=O)(O)O)O)N)(O)O
InChi:	InChI=1S/C10H18N3O15P3/c11-9-5(13(16)17)1-4(10(15)12-9)7-2-6(14)8(26-7)3-25-30(21,22)28-31(23,24)27-29(18,19)20/h1,6-8,14,16-17H,2-3H2,(H,21,22)(H,23,24)(H3,11,12,15)(H2,18,19,20)/t6-,7+,8+/m0/s1
Definition date:	2017-07-10
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	(1R)-1-[6-amino-5-(dihydroxyamino)-2-hydroxypyridin-3-yl]-1,4-anhydro-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-D-erythro-pentitol

A81

A81
Name:	6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)
Formula:	C15 H7 Br2 N9 O4
SMILES:	C2=NC1=C(C(NN1C=C2c5c([N+]([O-])=O)c(C=3C=NC=4N(C=3)NC(C=4Br)=O)nn5)=O)Br
InChi:	InChI=1S/C15H7Br2N9O4/c16-7-12-18-1-5(3-24(12)22-14(7)27)9-11(26(29)30)10(21-20-9)6-2-19-13-8(17)15(28)23-25(13)4-6/h1-4H,(H,20,21)(H,22,27)(H,23,28)
Definition date:	2017-07-11
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	6,6'-(4-nitro-1H-pyrazole-3,5-diyl)bis(3-bromopyrazolo[1,5-a]pyrimidin-2(1H)-one)

8O0

8O0
Name:	Hapalindole A
Formula:	C21 H23 Cl N2
SMILES:	CC1(C)[CH]2C[CH](Cl)[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H23ClN2/c1-6-21(4)16(22)10-14-18(19(21)23-5)12-11-24-15-9-7-8-13(17(12)15)20(14,2)3/h6-9,11,14,16,18-19,24H,1,10H2,2-4H3/t14-,16+,18-,19+,21-/m0/s1
Definition date:	2017-08-21
Last modified:	2018-07-13
Release date:	2018-07-18

8P6

8P6
Name:	Hapalindole U
Formula:	C21 H24 N2
SMILES:	CC1(C)[CH]2CC[C](C)(C=C)[CH]([N+]#[C-])[CH]2c3c[nH]c4cccc1c34
InChi:	InChI=1S/C21H24N2/c1-6-21(4)11-10-15-18(19(21)22-5)13-12-23-16-9-7-8-14(17(13)16)20(15,2)3/h6-9,12,15,18-19,23H,1,10-11H2,2-4H3/t15-,18+,19+,21-/m0/s1
Definition date:	2017-08-23
Last modified:	2018-07-13
Release date:	2018-07-18

AKJ

AKJ
Name:	1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one
Formula:	C16 H20 F2 O4
SMILES:	C(F)(F)Oc2c(OC1COCC1)cc(cc2)C(=O)CC(C)C
InChi:	InChI=1S/C16H20F2O4/c1-10(2)7-13(19)11-3-4-14(22-16(17)18)15(8-11)21-12-5-6-20-9-12/h3-4,8,10,12,16H,5-7,9H2,1-2H3/t12-/m0/s1
Definition date:	2017-07-19
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	1-[4-(difluoromethoxy)-3-{[(3S)-oxolan-3-yl]oxy}phenyl]-3-methylbutan-1-one

HH4

HH4
Name:	4-(4-tert-butylphenyl)-4-oxobutanoic acid
Formula:	C14 H18 O3
SMILES:	c1(ccc(C(CCC(O)=O)=O)cc1)C(C)(C)C
InChi:	InChI=1S/C14H18O3/c1-14(2,3)11-6-4-10(5-7-11)12(15)8-9-13(16)17/h4-7H,8-9H2,1-3H3,(H,16,17)
Definition date:	2018-07-02
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	4-(4-tert-butylphenyl)-4-oxobutanoic acid

VA6

VA6
Name:	9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine
Formula:	C11 H16 F2 N5 O11 P3
SMILES:	n1c(c2c(nc1)n(cn2)C3CC(O)C(COP(O)(=O)OP(C(P(O)(O)=O)(F)F)(O)=O)O3)N
InChi:	InChI=1S/C11H16F2N5O11P3/c12-11(13,30(20,21)22)31(23,24)29-32(25,26)27-2-6-5(19)1-7(28-6)18-4-17-8-9(14)15-3-16-10(8)18/h3-7,19H,1-2H2,(H,23,24)(H,25,26)(H2,14,15,16)(H2,20,21,22)/t5-,6+,7-/m0/s1
Definition date:	2018-03-22
Last modified:	2018-07-13
Release date:	2018-07-18
Identifier:	9-{2-deoxy-5-O-[(S)-{[(S)-[difluoro(phosphono)methyl](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-erythro-pentofuranosyl}-9H-purin-6-amine

DVT

DVT
Name:	DECAVANADATE
Formula:	O28 V10
SMILES:	[O-][V-]1234O[V-]567([O-])O[V-]89([O-])(O1)[O+]%10[V-]%11%12%13([O-])O[V-]%14%15%16([O-])O[V-]%17%18([O-])(O%11)O[V-]%19%20([O-])(O%14)[O+]%21[V-]%22([O-])(O2)(O5)[O+]%19[V-]%23(O%17)([O+4]6)([O+]8%12)[O]379%22[V-]%10%21(O4)(O%15)[O+4]%13%16%18%20%23
InChi:	InChI=1S/28O.10V/q
Definition date:	2005-09-01
Last modified:	2018-07-10

W68

W68
Name:	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C18 H24 F N3
SMILES:	Fc2cc(CCc1cc(cc(n1)N)C)cc(c2)CCCNC
InChi:	InChI=1S/C18H24FN3/c1-13-8-17(22-18(20)9-13)6-5-15-10-14(4-3-7-21-2)11-16(19)12-15/h8-12,21H,3-7H2,1-2H3,(H2,20,22)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine

W69

W69
Name:	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine
Formula:	C19 H26 F N3
SMILES:	Fc1cc(cc(c1)CCCN(C)C)CCc2cc(cc(n2)N)C
InChi:	InChI=1S/C19H26FN3/c1-14-9-18(22-19(21)10-14)7-6-16-11-15(12-17(20)13-16)5-4-8-23(2)3/h9-13H,4-8H2,1-3H3,(H2,21,22)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	6-(2-{3-[3-(dimethylamino)propyl]-5-fluorophenyl}ethyl)-4-methylpyridin-2-amine

W79

W79
Name:	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
Formula:	C21 H24 N4
SMILES:	Nc1nc(cc(c1)C)CCc2cc(cnc2)c3cccc(c3)CNC
InChi:	InChI=1S/C21H24N4/c1-15-8-20(25-21(22)9-15)7-6-17-11-19(14-24-13-17)18-5-3-4-16(10-18)12-23-2/h3-5,8-11,13-14,23H,6-7,12H2,1-2H3,(H2,22,25)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	4-methyl-6-[2-(5-{3-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine

W80

W80
Name:	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine
Formula:	C21 H24 N4
SMILES:	Nc1nc(cc(c1)C)CCc2cc(cnc2)c3ccc(CNC)cc3
InChi:	InChI=1S/C21H24N4/c1-15-9-20(25-21(22)10-15)8-5-17-11-19(14-24-13-17)18-6-3-16(4-7-18)12-23-2/h3-4,6-7,9-11,13-14,23H,5,8,12H2,1-2H3,(H2,22,25)
Definition date:	2017-09-05
Last modified:	2018-07-06
Release date:	2018-07-11
Identifier:	4-methyl-6-[2-(5-{4-[(methylamino)methyl]phenyl}pyridin-3-yl)ethyl]pyridin-2-amine

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