update data

{
  "date": "2025-12-21T04:06:20.579Z",
  "molecules": 23984,
  "errors": 44,
  "nogood": 33,
  "notfound": 2265,
  "dup": 525
}

Author: cheminfo-bot

public/data.json

@@ -185,7 +185,7 @@ diFD`JxPBDivzjihI@@	Methionine
 diFDaJxPBJd^Rg[jjf`d@	Methionine
 egRxM@@O`DMHlnk`X]S\bbTTRTbbLtVRTTLRTQbRVJJ`UgcbUTrqvINHkTEAUQUUUTuUUUUQUTxQNHHcHyOHeBeTeimCebaT@@	Aconitine
 ek\xM@@O`DMHlnk`XU]\bbTTRTbbLtVRTTLRTQbRSVTBl|\RjfVNqIqEZ`hJjJjjjfjjjjhjjlx`bLcd|bTJeRfRtvfJEP@	Aconitine
-dmT@c@V@VnWlBbPLRJiT@@@@@	Ferrocene
+dmT@a`VJyn{az^WlBbPLRJiT@jb@@	Ferrocene
 gKP@Di\YZ@@	Cyclopentadiene
 fns@`@@FrQQRJIFIHkKJdeVCF`jHhjZjbQRR`@	Tetrahydrocannabinol
 gNyhGE`DYIITmT@@	Taurine
@@ -23861,6 +23861,7 @@ f`a``@K@MdbfbRbRaxJ`HJjh@@	Β-Methyl-DOM
 foAP@@@ZrRHiQQIZVkNjjdHB@@@	Dimethylhomotryptamine
 ek`RJH@LAAihDEKD`@cIIBhhhdhdXbbeDcHkOBfmcejAhHH`bjTb@@@	Prifetrastat
 dVm{aHP@@DA`|LbXYGQl_DKb|ihFUoXnOlFaD[Gqf\Tus]v}h~MKjpApBAbdmJr|`fIrFekzeg[NwdDa\QgyQYUUu[UMWVNKJ|bbbbbTRaetTrbTrbRatQTTLVTTLVTTLJTrbbrbabrbbRbQLTVbbbLjbaTTVTTLVRbbbjbbRbjbbRbbJrabrTTTTibbrTRbVTtTRbbQVtLQd`hFEaBDgUm\plXvOR\x]Gin[UUUTsUUMATECUUMUTuUSTuSUUMPTCQTuUUMTuSUUMUSMTuSTE@uEUMUSMUSUUMUMAMPTTtuAIAq`P`TQDaWBEDFH\VDiIQRNdcKVP\fyOrxUDjiUrjUBj}UVi}RFcM@@	Rm4a
+dUMkqBQ`@F@PLOAhVHQduJp|hiIJJfjZ^hZf}`{N{lFaBTfin[WugWvStG@Hr@PdiAQTCBHRtoJjn`XfymY^w`EAHQDyAXUEeWT]oZMc@@b@BNPHK@afBDxHrQIJJIQJJYSZJZJIJIIQJJZJJFKPqIZJIIJDjEQYKJYQSJIQFIJISQSISKJKQJFIJjFIJZ[JJYQJJIZYYIHiqKQZIFKQZUQQYJIQQCdynLWxAEw]WMpRtiHsduNrRKKjvlZVmo[UUUMLtuUUUMTtsTCUUTEUULSSUUTuUSSTtuMSUUUMULsTttEPUTC@sDSPSAQTuSUUMUEUPQMA@jAQDRDTRhTiCQQdSDiIrTTiYFtcephqUbduKj@t@@	Av3
 gaHdqX@@DEBqDFOBSkMN`|PAaptz[LUiLVG@VNQQJJJISRzJIJJJFqSJJJYVZEQQ[QQYQPqSEQQhZjjifjjfijjfjjijfjfjjZjZtXHPWbAD\eqPeJWiUenP@	Do6a
 dUmGYEP`@F@PLOAhVHPTmLqlWKsBBhiJFh[f[ixAhXgIz_gEEVv}@tNs|toKtG@Hr@SdUCStODIbtohFYeZv]oXNSl{~HQGQ^TUey]UuCXtmGXNS\vok@@b@BAXHk`cIDdhheDhieMhihhdhhheDhicJlYhhdheDhdieEJhihhehhdThedhehUDhidUGCDeLhhdieDUEMEMMDdhdhdeDmLhhXiXcbmDmDcJdmDYlhhXiRL`EA]VM]RqrjxijJ~izQhGUUUMLtuUUUMUSSMMUUUSUSTtCPMUAUASQSPttsUUUTuSTtuAUUUAMSUMCSLCSTETtUUUMSTuTAP{A@jAQDRDTRhSh`rQbxhIHredcYQtKdoKaTcEEFL\UzrmcznMQZ@@	Ugr 9-1
 fleA`@@QSdTTTRRTqfdcZ\t@@AELDKH@	(R)-Ketoprofen
@@ -23979,3 +23980,5 @@ fegab@GDeTFIdTTRRrTrTJbbRXKp^s``bjjjBBB@@@	2C-B-3PIP-NBOMe
 fi{ab@GDdTFHdsJnmklrkA^Bt\DDUUUAAA@@@	2C-B-3PIP-POMe
 dg~H`Mh@aJYW]gJxZB@jj@@	SDMA (drug)
 dk^H`Mh@aJYW]lkahHBj`@@	SDA (drug)
+en_\LH@FAMoJhPHcHhdiieCEHdeDUEDdmEkJNEMDbdfaimocgd\ZVX@bejjijjhJ`jJbbXLUbbRTZgR@@	CL 110,393
+eh^XB@@E`NENldTTTRdTrRTR\fLrVHXd|lRlJBjZV~AhJ`jhijjjjjJjhPeBXQdj`@	TL 2636

public/idcode.txt

@@ -185,7 +185,7 @@ Methionine	CSCC[C@H](N)C(=O)O
 Methionine	CSCC[C@H]([NH3+])C(=O)[O-]
 Aconitine	O=C(O[C@H]5[C@]3(O)C[C@H]4[C@@]16C2N(CC)C[C@]([C@H]1[C@@H](OC)[C@@H]2[C@@](OC(=O)C)([C@@H](O)[C@@H]3OC)[C@H]45)(COC)[C@H](O)C[C@@H]6OC)c7ccccc7
 Aconitine	COC[C@]12CN(C)[C@@H]3[C@H]4[C@H](OC)C1[C@@]3([C@H](C[C@H]2O)OC)[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@@]4(OC(C)=O)[C@H]5C6OC(=O)c7ccccc7
-Ferrocene	[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]
+Ferrocene	[CH-]1[CH-][CH-][CH-][CH-]1.[CH-]1C=CC=C1.[Fe]
 Cyclopentadiene	C1C=CC=C1
 Tetrahydrocannabinol	CCCCCc1cc(c2c(c1)OC([C@H]3[C@H]2C=C(CC3)C)(C)C)O
 Taurine	O=S(=O)(O)CCN
@@ -23861,6 +23861,7 @@ MPEP (drug)	CC(CC1=CC=CC=C1)N2CCCC2
 Dimethylhomotryptamine	CN(C)CCCC1=CNC2=CC=CC=C21
 Prifetrastat	COC1=CC=CC=C1S(=O)(=O)NC2=NOC3=C2C(=CC(=C3)CN4C=CC=N4)OC
 Rm4a	N[C@@]([H])(Cc1ccccc1)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C)C(=O)NCC(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC1=CN=C-N1)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)N[C@@]([H])([C@]([H])(O)C)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N
+Av3	N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CS3)C(=O)N[C@@]([H])(CS4)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CS5)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)NCC(=O)NCC(=O)N[C@@]([H])(CS4)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CC(=CN2)C1=C2C=CC=C1)C(=O)NCC(=O)N[C@@]([H])(CCC(=O)N)C(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CS3)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CS5)C(=O)NCC(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CCCCN)C(=O)N[C@@]([H])(C(C)C)C(=O)O
 Do6a	N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(CO)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])(CC(C)C)C(=O)N[C@@]([H])(C(C)C)C(=O)NCC(=O)N
 Ugr 9-1	N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CO)C(=O)N[C@@]([H])([C@]([H])(CC)C)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N1[C@@]([H])(CCC1)C(=O)N1[C@@]([H])(CCC1)C(=O)N[C@@]([H])(CS3)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(Cc1ccccc1)C(=O)N[C@@]([H])(CS4)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CC1=CN=C-N1)C(=O)N[C@@]([H])(CCCNC(=N)N)C(=O)N[C@@]([H])(CC(=O)O)C(=O)NCC(=O)N[C@@]([H])(CO)C(=O)NCC(=O)N[C@@]([H])(CC(=O)N)C(=O)N[C@@]([H])(CS3)C(=O)N[C@@]([H])(C(C)C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)N[C@@]([H])(CC(=O)O)C(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@]([H])(CS4)C(=O)NCC(=O)N[C@@]([H])(C)C(=O)N[C@@]([H])(C(C)C)C(=O)O
 (R)-Ketoprofen	C[C@H](C1=CC(=CC=C1)C(=O)C2=CC=CC=C2)C(=O)O
@@ -23979,3 +23980,5 @@ HQ-355	CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CF
 2C-B-3PIP-POMe	COC1=CC=CC=C1C2CCC(CN2)C3=CC(=C(C=C3OC)Br)OC
 SDMA (drug)	CC(CC1=CC2=C(C=C1)OCS2)NC
 SDA (drug)	CC(CC1=CC2=C(C=C1)OCS2)N
+CL 110,393	Clc1cccc(c1)n1nccc1[C@H]1C[C@]23C=C[C@]1(OC)[C@@H]1Oc4c(O)ccc5C[C@H]2N(CC[C@]13c54)CC1CC1
+TL 2636	CC([C@H]1CC23C=C[C@]1([C@H]4[C@@]25CCN([C@@H]3CC6=C5C(=C(C=C6)O)O4)C)OC)(C7CCCCC7)O

public/smiles.txt

@@ -3914,5 +3914,6 @@
 {"date":"2025-12-17T04:02:00.975Z","molecules":23969,"errors":44,"nogood":33,"notfound":2264,"dup":525},
 {"date":"2025-12-18T04:03:20.849Z","molecules":23969,"errors":44,"nogood":33,"notfound":2264,"dup":525},
 {"date":"2025-12-19T04:03:21.323Z","molecules":23973,"errors":44,"nogood":33,"notfound":2265,"dup":525},
-{"date":"2025-12-20T04:01:18.357Z","molecules":23981,"errors":44,"nogood":33,"notfound":2264,"dup":525}
+{"date":"2025-12-20T04:01:18.357Z","molecules":23981,"errors":44,"nogood":33,"notfound":2264,"dup":525},
+{"date":"2025-12-21T04:06:20.579Z","molecules":23984,"errors":44,"nogood":33,"notfound":2265,"dup":525}
 ]