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{ "date": "2026-01-19T04:06:55.770Z", "molecules": 24154, "errors": 31, "nogood": 24, "notfound": 2287, "dup": 530 }
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4 files changed

+41
-13
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4 files changed

+41
-13
lines changed

public/data.json

Lines changed: 15 additions & 6 deletions
Large diffs are not rendered by default.

public/idcode.txt

Lines changed: 12 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -11094,7 +11094,6 @@ dmtHpBCDGDWDRYeYZXHJH@@ 2,4,6-Tribromoanisole
1109411094
gJPhEaDIMsP@ Methyl chloroformate
1109511095
deTHpBCD{DgDRYgea``b@@ 2,4,6-Tribromophenol
1109611096
fcA`@@HwdTRTRdRRJfRtrVd[tZmfmjjjjjjh@JhhQLThzQP@ Estradiol enantate
11097-
fa{HC@IFltD`bPqHYEHXdidheDdcaJLyNZmj`BFjiZhj@@ CGS-12066A
1109811097
gbJdAl@@@B@qX\AB`qY\~PlQIejMIbs[mNOW`JGCdTRbbbTTTTRRRRbrbfrvfabRRLTRbtqrLVtQOESILF[OUZLNPVhJHjhjjjjfYZ@F`Ahh`hHhj@@@@ Chebulinic acid
1109911098
gnHePX@@DE@qTzJmPy}~@ZKARx|aXbTjL^rJIQQSSPyQJISJIQPpqSPsPiIIZIYQJZIVIJtzhlVjZifjijjijYjijiffjijj@B@@@ Microcystin-LR
1110011099
gNyALMJRmMU@@ Glycine betaine aldehyde
@@ -11922,7 +11921,7 @@ dg\@@DiUUUSnVeiZP@ Cyclotetradecaheptaene
1192211921
deD@P`rHr@fIKjy@yUQeVe`@ Dipotassium cyclooctatetraenide
1192311922
fcwHP@DTctDf{rJISIQSQQIIZJH~cU[UUMMATCTTHqEP@ Ilomastat
1192411923
fb}q@@D\bAInUegggdk^BfNVjZhHbFbQbRP@ Isoergine
11925-
f`iq@@DB|AIe[[mZLDiwfeiejj`@@ CP-93129
11924+
f`iq@@DB|AIe[[mZLDiwfiZejj`@@ CP-93129
1192611925
eg`RHB@JFEDm@HaBHpbI@cHiCDeEMeDheDidbULL]m]UUSMHP@@@@@DEd@ Salubrinal
1192711926
gOpLaySDPPNTiWKWUU@@ Bromo(tetrahydrothiophene)gold(I)
1192811927
gFPFaySDVIlPxe`AufOUP@ Tetrabromoauric acid
@@ -24047,7 +24046,7 @@ edV\D@@DJc`MlbbbdTRaRLrrTVTVfWAdfgbTVSWSUU@tEDuULuUEPYHATCR 1D-AL-LAD
2404724046
fbuP`@MA@cHhdiheEFeDhvkMTADMUQ@@@ 4-PrO-MET
2404824047
do~@`IBPRYWV[zZ@Bjjp@@ 4-Fluorodeprenyl
2404924048
fewp`@LIzAFQQIQQIQJXjSIGWgQSghvj@@HHjjhJPFY`@ Tolserine
24050-
geKgQhP@ABaqDFGBTiMaXv@bRiBqTaVh|a@AD@HJHQHaD`hQHQHRLRLrDcHRDRDaHqHQHFLRLaDRDSDqDphQDaBSDsZmngObKDSIjjjjZYijjjjfjZXHJB`abf``HH@@@ CTOP
24049+
geKgQhP@ABaqDFGBTiMaXv@bRiBqTaVh|a@AD@HJHQHaD`hQHQHRLRLrDcHRDRDaHqHQHFLRLaDRDSDqDphQDaBSDsZmngObKDSIjjjjZYijjjjfjZXHJB`abf``HHTDEpVREDtWQSElQj^h@@ CTOP
2405124050
fas`P@K@EkJTwKJ{{LkrU^tADUUPPP@@@ 2,4,6-TMPEA-NBOMe
2405224051
fjmP`@E^@cHhmEDhhthdiZTYj@bFjjb@@ 4-AcO-EPT
2405324052
fleQ@@IVAdbfRfTJTTsNRUP@TuUTP@@ 5-MeO-MsBT
@@ -24143,3 +24142,13 @@ egh\DH@GJfaB`ICHhdlihdldhhihTePqXxtMl]@AMUUTmURqL@@@ Metrenperone
2414324142
ec`V@H@HFGLbf`@aJVUYwuUem\BAMKGFnemjP`hjjjd@Hh@@@ MT-1207
2414424143
fis@`@@LrJIJHiIIIIIIJgH@bjjjjj`@@ 5-Heptadecylresorcinol
2414524144
fkAP@@HiJvQQJJYQZJIYIQSMF\EIQmUADQUMUUQRMHJ@@ ZYN-001
24145+
fkH`@D^J\@lbbRbRRJRbRrbRfT[IY{Zjjjjjj@Hz@@@ BP1.4979
24146+
e`\ZD@@DLMOM`BlbbbRTVRTrbRRTQRPfe`WVuwsUUAAQUUPPQD@@@ F-14258
24147+
fbm@R@EZMdFIdTTRbRbjRVYJshi``dfh@`@@@ SZC-6
24148+
gJY@DDeUh@ Ethyl isocyanate
24149+
fmh@@@XiD^RJIJZIIJZYJ[Htx[sdezNXPQAPA@TKDD@@ FR260010
24150+
dmTH@@rJQEJJjji@@ Dihydromyrcenol
24151+
fi{Qa@Jc`ch@ctaddabbRRffQaRbkFBgJt@@AQUTpTHp@ Landipirdine
24152+
ff}q@@DTTCHheDddeLUDeKQZmUUUUP@P@@ AB0124
24153+
fkIp@DXYh@huFl~QQIQJKQYJIZHpsTyhp\mMSRDEEUUUAGIL[Ih@ Galactoflavin
24154+
fa{HC@IFltD`bPqHYEHXdidheDdcaJLyNZmj`BFjiZhj@@ CGS-12066

public/smiles.txt

Lines changed: 12 additions & 3 deletions
Original file line numberDiff line numberDiff line change
@@ -11094,7 +11094,6 @@ Isohexanol OCCCC(C)C
1109411094
Methyl chloroformate O=C(Cl)OC
1109511095
2,4,6-Tribromophenol Brc1cc(Br)cc(Br)c1O
1109611096
Estradiol enantate CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
11097-
CGS-12066A C3CN(C)CCN3c2nc1cc(C(F)(F)F)ccc1n4cccc24
1109811097
Chebulinic acid C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C3C(C(C(O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C(C(C(=O)O3)CC(=O)O)C(C(=O)O6)O)O)O)OC(=O)C7=CC(=C(C(=C7)O)O)O
1109911098
Microcystin-LR CC1C(NC(=O)C(NC(=O)C(C(NC(=O)C(NC(=O)C(NC(=O)C(=C)N(C(=O)CCC(NC1=O)C(=O)O)C)C)CC(C)C)C(=O)O)C)CCCN=C(N)N)C=CC(=CC(C)C(CC2=CC=CC=C2)OC)C
1110011099
Glycine betaine aldehyde O=CC[N+](C)(C)C
@@ -11922,7 +11921,7 @@ Cyclotetradecaheptaene C1C=CC=CC=CC=CC=CC=CC=1
1192211921
Dipotassium cyclooctatetraenide [K+].c1=c[cH-]c=c[cH-]c=c1.[K+]
1192311922
Ilomastat CC(C)C[C@H](CC(=O)NO)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)NC
1192411923
Isoergine CN1C[C@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)C(=O)N
11925-
CP-93129 C3CNCC=C3c(c1n2)cnc1ccc2=O
11924+
CP-93129 C1CNCC=C1C2=CNC3=C2NC(=O)C=C3
1192611925
Salubrinal C1=CC=C(C=C1)/C=C/C(=O)NC(C(Cl)(Cl)Cl)NC(=S)NC2=CC=CC3=C2N=CC=C3
1192711926
Bromo(tetrahydrothiophene)gold(I) Br[Au-][S+]1CCCC1
1192811927
Tetrabromoauric acid [H+].Br[Au-](Br)(Br)Br
@@ -24047,7 +24046,7 @@ P7C3-A20 COC1=CC=CC(=C1)NCC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F
2404724046
4-PrO-MET CCC(=O)OC1=CC=CC2=C1C(=CN2)CCN(C)CC
2404824047
4-Fluorodeprenyl CC(CC1=CC=C(C=C1)F)N(C)CC#C
2404924048
Tolserine CC1=CC=CC=C1NC(=O)OC2=CC3=C(C=C2)N([C@@H]4[C@]3(CCN4C)C)C
24050-
CTOP CC(C1C(=O)NC(C(SSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)N)(C)C)C(=O)NC(C(C)O)C(=O)N)O
24049+
CTOP C(C=1C=2C(NC1)=CC=CC2)[C@H]3NC(=O)[C@H](CC4=CC=C(O)C=C4)NC(=O)[C@@H](NC([C@@H](CC5=CC=CC=C5)N)=O)CSSC(C)(C)[C@@H](C(N[C@@H]([C@@H](C)O)C(N)=O)=O)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CCCN)NC3=O)[H]
2405124050
2,4,6-TMPEA-NBOMe COc1cc(OC)c(c(c1)OC)CCNCc1ccccc1OC
2405224051
4-AcO-EPT CCCN(CC)CCC1=CNC2=C1C(=CC=C2)OC(=O)C
2405324052
5-MeO-MsBT CCC(C)N(C)CCC1=CNC2=C1C=C(C=C2)OC
@@ -24143,3 +24142,13 @@ Metrenperone CC1=CN2C(=NC(=C(C2=O)CCN3CCC(CC3)C(=O)C4=CC=C(C=C4)F)C)C=C1
2414324142
MT-1207 C1CN(CCN1CCCCN2C3=CC=CC=C3N=N2)C4=NSC5=CC=CC=C54
2414424143
5-Heptadecylresorcinol CCCCCCCCCCCCCCCCCC1=CC(=CC(=C1)O)O
2414524144
ZYN-001 CCCCCC1=CC2=C([C@@H]3C=C(CC[C@H]3C(O2)(C)C)C)C(=C1)OC(=O)C(CO)O
24145+
BP1.4979 COCCC(=O)NC1CCC(CC1)CCN2CCN(CC2)C3=CC=CC(=C3)C#N
24146+
F-14258 O=C(NC1=CC=C(OC)C(=C1)N2CCN(C)CC2)N3CCN(CCC=4C=CC=CC4)CC3
24147+
SZC-6 C1=CC2=C(C=C1O)OC(=O)C(=C2)C3=C(C=C(C=C3)O)Br
24148+
Ethyl isocyanate O=C=NCC
24149+
FR260010 CC1=CN(C=N1)C2=CC=CC(=C2)NC3=NC=NC4=C3CCC5=CC=CC=C54
24150+
Dihydromyrcenol CC(CCCC(C)(C)O)C=C
24151+
Landipirdine C1C[C@H](C2=C(C1)C=C(C=C2)S(=O)(=O)C3=CC=CC(=C3)F)CNC(=O)N
24152+
AB0124 CN(C)CCNC(=O)C1CC(CCN1)CCC2=CC=CC=C2
24153+
Galactoflavin CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
24154+
CGS-12066 CN1CCN(CC1)C2=NC3=C(C=CC(=C3)C(F)(F)F)N4C2=CC=C4

stats.json

Lines changed: 2 additions & 1 deletion
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@@ -3943,5 +3943,6 @@
39433943
{"date":"2026-01-15T04:01:41.744Z","molecules":24122,"errors":31,"nogood":24,"notfound":2284,"dup":530},
39443944
{"date":"2026-01-16T03:59:26.585Z","molecules":24128,"errors":31,"nogood":24,"notfound":2285,"dup":530},
39453945
{"date":"2026-01-17T03:53:51.351Z","molecules":24138,"errors":31,"nogood":24,"notfound":2284,"dup":530},
3946-
{"date":"2026-01-18T04:02:53.308Z","molecules":24145,"errors":31,"nogood":24,"notfound":2285,"dup":530}
3946+
{"date":"2026-01-18T04:02:53.308Z","molecules":24145,"errors":31,"nogood":24,"notfound":2285,"dup":530},
3947+
{"date":"2026-01-19T04:06:55.770Z","molecules":24154,"errors":31,"nogood":24,"notfound":2287,"dup":530}
39473948
]

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