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Y1D

Y1D
Name:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H15 F2 N3 O3
SMILES:	N1(CCN(CC1)C(c2ccco2)=O)C(Nc3c(cc(cc3)F)F)=O
InChi:	InChI=1S/C16H15F2N3O3/c17-11-3-4-13(12(18)10-11)19-16(23)21-7-5-20(6-8-21)15(22)14-2-1-9-24-14/h1-4,9-10H,5-8H2,(H,19,23)
Definition date:	2021-01-25
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

V5V

V5V
Name:	(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)
Formula:	C24 H26 F2 N10 O8 P2 S2
SMILES:	n1cn5c2ncnc(c12)NCC=CCNc8c3c(n(cn3)C7C(C6OP(S)(OCC4C(C(F)C5O4)OP(S)(=O)OCC6O7)=O)F)ncn8
InChi:	InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45-,46+/m1/s1
Definition date:	2020-07-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name)

Y1J

Y1J
Name:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H19 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC3CC3)=O
InChi:	InChI=1S/C14H19N3O3/c18-13(12-2-1-9-20-12)16-5-7-17(8-6-16)14(19)15-10-11-3-4-11/h1-2,9,11H,3-8,10H2,(H,15,19)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1M

Y1M
Name:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3 S
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC=3CCCS=3)=O
InChi:	InChI=1S/C15H21N3O3S/c19-14(13-4-1-9-21-13)17-5-7-18(8-6-17)15(20)16-11-12-3-2-10-22-12/h1,4,9,22H,2-3,5-8,10-11H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide

Y1P

Y1P
Name:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H19 N3 O4
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H19N3O4/c1-19-10-4-14-13(18)16-7-5-15(6-8-16)12(17)11-3-2-9-20-11/h2-3,9H,4-8,10H2,1H3,(H,14,18)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

Y1S

Y1S
Name:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C12 H14 F3 N3 O3
SMILES:	N2(CCN(C(=O)c1ccco1)CC2)C(NCC(F)(F)F)=O
InChi:	InChI=1S/C12H14F3N3O3/c13-12(14,15)8-16-11(20)18-5-3-17(4-6-18)10(19)9-2-1-7-21-9/h1-2,7H,3-6,8H2,(H,16,20)
Definition date:	2021-01-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

NWS

NWS
Name:	Moco-AMP
Formula:	C20 H26 Mo N10 O15 P2 S2
SMILES:	NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1
InChi:	InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15
Definition date:	2018-12-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate

Y2G

Y2G
Name:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C14 H21 N3 O4
SMILES:	N2(CCN(C(=O)c1ccc(o1)C)CC2)C(NCCOC)=O
InChi:	InChI=1S/C14H21N3O4/c1-11-3-4-12(21-11)13(18)16-6-8-17(9-7-16)14(19)15-5-10-20-2/h3-4H,5-10H2,1-2H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

RZB

RZB
Name:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C17 H16 Cl N5 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O
InChi:	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
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Y2J

Y2J
Name:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide
Formula:	C13 H18 Cl N3 O4
SMILES:	N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O
InChi:	InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide

XB1

XB1
Name:	N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea
Formula:	C17 H27 N7 O3 S2
SMILES:	C(CCSc2nc1C(=O)N(C(N(c1n2)C)=O)C)NC(NCCN3CCOCC3)=S
InChi:	InChI=1S/C17H27N7O3S2/c1-22-13-12(14(25)23(2)17(22)26)20-16(21-13)29-11-3-4-18-15(28)19-5-6-24-7-9-27-10-8-24/h3-11H2,1-2H3,(H,20,21)(H2,18,19,28)
Definition date:	2020-12-08
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea

RZE

RZE
Name:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid
Formula:	C16 H14 Cl F N6 O3
SMILES:	N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O
InChi:	InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid

Y2M

Y2M
Name:	N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide
Formula:	C15 H21 N3 O3
SMILES:	N3(C(=O)NCC1CC1)CCN(C(c2ccc(C)o2)=O)CC3
InChi:	InChI=1S/C15H21N3O3/c1-11-2-5-13(21-11)14(19)17-6-8-18(9-7-17)15(20)16-10-12-3-4-12/h2,5,12H,3-4,6-10H2,1H3,(H,16,20)
Definition date:	2021-01-28
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide

RZK

RZK
Name:	2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine
Formula:	C10 H13 N5 O
SMILES:	COc1ccc(cc1)c2nnn(CCN)n2
InChi:	InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine

Y2V

Y2V
Name:	4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide
Formula:	C13 H16 F3 N3 O3
SMILES:	N2(C(NCC(F)(F)F)=O)CCN(C(c1ccc(C)o1)=O)CC2
InChi:	InChI=1S/C13H16F3N3O3/c1-9-2-3-10(22-9)11(20)18-4-6-19(7-5-18)12(21)17-8-13(14,15)16/h2-3H,4-8H2,1H3,(H,17,21)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-methylfuran-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide

RZN

RZN
Name:	(4-phenoxyphenyl)methanol
Formula:	C13 H12 O2
SMILES:	OCc1ccc(Oc2ccccc2)cc1
InChi:	InChI=1S/C13H12O2/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9,14H,10H2
Definition date:	2020-11-04
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(4-phenoxyphenyl)methanol

Y31

Y31
Name:	5-bromopyridine-3-carboxylic acid
Formula:	C6 H4 Br N O2
SMILES:	c1(Br)cc(cnc1)C(O)=O
InChi:	InChI=1S/C6H4BrNO2/c7-5-1-4(6(9)10)2-8-3-5/h1-3H,(H,9,10)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	5-bromopyridine-3-carboxylic acid

Y34

Y34
Name:	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid
Formula:	C7 H6 O4 S
SMILES:	C2COc1c(csc1C(=O)O)O2
InChi:	InChI=1S/C7H6O4S/c8-7(9)6-5-4(3-12-6)10-1-2-11-5/h3H,1-2H2,(H,8,9)
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxylic acid

Y3P

Y3P
Name:	(~{Z})-2-oxidanylbut-2-enedioic acid
Formula:	C4 H4 O5
SMILES:	OC(=O)C=C(O)C(O)=O
InChi:	InChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
Definition date:	2021-02-01
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(~{Z})-2-oxidanylbut-2-enedioic acid

Y3V

Y3V
Name:	(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H24 N4 O2
SMILES:	N3(C(=O)c1cccn1C)CCN(C(=O)NCC2CC2)C(C)C3
InChi:	InChI=1S/C16H24N4O2/c1-12-11-19(15(21)14-4-3-7-18(14)2)8-9-20(12)16(22)17-10-13-5-6-13/h3-4,7,12-13H,5-6,8-11H2,1-2H3,(H,17,22)/t12-/m0/s1
Definition date:	2021-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide

Y44

Y44
Name:	N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
Formula:	C16 H18 N4 O2 S
SMILES:	N(Cc1cccnc1)C(N3CCN(C(=O)c2cccs2)CC3)=O
InChi:	InChI=1S/C16H18N4O2S/c21-15(14-4-2-10-23-14)19-6-8-20(9-7-19)16(22)18-12-13-3-1-5-17-11-13/h1-5,10-11H,6-9,12H2,(H,18,22)
Definition date:	2021-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	N-[(pyridin-3-yl)methyl]-4-(thiophene-2-carbonyl)piperazine-1-carboxamide

Y47

Y47
Name:	4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide
Formula:	C17 H20 N4 O3
SMILES:	N1(CCN(CC1)C(NCc2cnccc2)=O)C(c3ccc(C)o3)=O
InChi:	InChI=1S/C17H20N4O3/c1-13-4-5-15(24-13)16(22)20-7-9-21(10-8-20)17(23)19-12-14-3-2-6-18-11-14/h2-6,11H,7-10,12H2,1H3,(H,19,23)
Definition date:	2021-02-03
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	4-(5-methylfuran-2-carbonyl)-N-[(pyridin-3-yl)methyl]piperazine-1-carboxamide

R2K

R2K
Name:	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium
Formula:	C3 H2 Na2 O4
SMILES:	[Na]OC(=O)CC(=O)O[Na]
InChi:	InChI=1S/C3H4O4.2Na/c4-2(5)1-3(6)7
Definition date:	2020-08-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium

R2Q

R2Q
Name:	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile
Formula:	C20 H13 N3
SMILES:	N#Cc1cccc(c1)c2ccc3nc(cn3c2)c4ccccc4
InChi:	InChI=1S/C20H13N3/c21-12-15-5-4-8-17(11-15)18-9-10-20-22-19(14-23(20)13-18)16-6-2-1-3-7-16/h1-11,13-14H
Definition date:	2020-08-26
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile

RG4

RG4
Name:	(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile
Formula:	C17 H18 N6
SMILES:	c4(c1ncnc2nccc12)cnn(C(CC#N)C3CCCC3)c4
InChi:	InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1
Definition date:	2020-02-12
Last modified:	2021-02-12
Release date:	2021-02-17
Identifier:	(3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile

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