update data

{
  "date": "2025-11-08T03:54:02.780Z",
  "molecules": 23804,
  "errors": 38,
  "nogood": 27,
  "notfound": 2260,
  "dup": 534
}

Author: cheminfo-bot

public/data.json

@@ -1,4 +1,4 @@
-{"stats":{"date":"2025-11-07T03:57:52.099Z","molecules":23802,"errors":38,"nogood":27,"notfound":2260,"dup":534},
+{"stats":{"date":"2025-11-08T03:54:02.780Z","molecules":23804,"errors":38,"nogood":27,"notfound":2260,"dup":534},
 "data":{"molecules":[
 {"id":1365,"title":"Ammonia","smiles":"N","mf":"H3N","mw":17.030525473613128,"em":17.02654910112,"idCode":"fJ@@","sssIndex":[32768,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0]},
 {"id":1525,"title":"Aspirin","smiles":"O=C(C)Oc1ccccc1C(=O)O","mf":"C9H8O4","mw":180.15776880033656,"em":180.04225873612,"idCode":"dklB@@QmR[fUxUZBBF@@","sssIndex":[-112315120,1108419073,269488260,25167105,-2147483648,274434,19144724,33554432,152569888,2097152,67502088,1208232960,-1609564160,134221824,-2146435072,335642636]},
@@ -23801,7 +23801,9 @@
 {"id":81530454,"title":"2,6-Dichloro-3-fluoroetomidate","smiles":"O=C(OCC)c1cncn1C(C)c1c(Cl)ccc(F)c1Cl","mf":"C14H13Cl2FN2O2","mw":331.17002695649273,"em":330.03381119372,"idCode":"fjmPc@EAbdDPRPeDYEEELeCMDiTpW`pPQUTkTP@@","sssIndex":[-1,-690094271,2096469599,2110936201,-1765887788,-1875756631,-2144943572,35800493,202449504,36978854,-2007723264,805318690,-1003411320,-2046356470,272769026,1073743874]},
 {"id":81532140,"title":"CF2-Etomidate","smiles":"CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC(F)F","mf":"C14H14F2N2O2","mw":280.2704957080625,"em":280.10233402468003,"idCode":"fbuPa@AFHpD`bPR[VygnuTYNZjZZj@A@@@","sssIndex":[-1,-671154347,2113781339,1037194442,-1766999851,-1875769043,-2111421908,572670383,-1668210144,1383334054,-2011950336,805310506,-737075072,-2080041976,272769024,2050]},
 {"id":81532203,"title":"CF3-Propoxate","smiles":"CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCCC(F)(F)F","mf":"C15H15F3N2O2","mw":312.28757552158356,"em":312.10856221964,"idCode":"ff}Pc@ENXHD`bPqHYEHTeMEEiidcNKVjjZZj@A@@@","sssIndex":[-1,-671285387,2113773147,1037227144,-1766999307,-1875769047,-2010757588,841138605,210838050,1114899110,-2011950336,-1342173150,-737075072,-2063264760,272769024,2050]},
-{"id":81532361,"title":"2-FXPr","smiles":"CCCNC2(c1ccccc1F)CCCCC2=O","mf":"C15H20FNO","mw":249.32436483063833,"em":249.15289243133,"idCode":"fdyaB@AFAHYEEDeHUDmf\\\\F@`jfjb@@","sssIndex":[-525313,-1107690098,1005537830,395745409,-2121968174,2040672512,-1531947211,268435845,134234533,1084244672,2199553,274560,21195232,275251232,33792,67635264]}
+{"id":81532361,"title":"2-FXPr","smiles":"CCCNC2(c1ccccc1F)CCCCC2=O","mf":"C15H20FNO","mw":249.32436483063833,"em":249.15289243133,"idCode":"fdyaB@AFAHYEEDeHUDmf\\\\F@`jfjb@@","sssIndex":[-525313,-1107690098,1005537830,395745409,-2121968174,2040672512,-1531947211,268435845,134234533,1084244672,2199553,274560,21195232,275251232,33792,67635264]},
+{"id":81538535,"title":"Paluratide","smiles":"CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N2CC[C@H]2C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NC4(CCCC4)C(=O)N([C@H](C(=O)N([C@@H](CC(=O)N([C@H](C(=O)N1)CC(C)C)C)C(=O)N(C)C)C)C5CCCC5)C)CCC6=CC(=C(C(=C6)F)C(F)(F)F)F)C)CC7=CC=C(C=C7)C)CC)C)C","mf":"C73H105F5N12O12","mw":1437.6828130803488,"em":1436.7895076858,"idCode":"gfYlpXh@OFPY|qFfpESEFsTaQxBu^ovDKezppDapdID`hdMDadTTRbdWRbTTtrbTTLNbdTRbRbTtlrTtvbbftRttltRabfebTVVLXBEfrtz{WisxSIvwXBHjjjYjjjYjjjfihJhJhZfjjjiijZjjfjJbeCaMEB`ZEdQcEEXmVu@@","sssIndex":[-525313,-1073742369,-1053057,2146958079,-1075839493,-6592675,-27533521,1961358591,-22722593,-100823073,-756474125,601400254,88848464,925453813,2015822377,537397312]},
+{"id":81542582,"title":"A-NK","smiles":"O=C1CCCCC1(NCCCC#C)c1ccccc1Cl","mf":"C17H20ClNO","mw":289.8003710439869,"em":289.1233419506,"idCode":"fbuaB@AFADYEEDeHUDmlf\\\\F@`jfjkH@@","sssIndex":[-525313,-1107690098,1005537830,395745441,-2121968142,2040672640,-1531947211,268476805,134234533,1084244672,2199553,274560,23292384,275251232,33792,67641408]}
 ],"errors":[
 {"id":162874,"smiles":"O(c1ccc(cc1)C(=[N@H])N)CCCCCOc2ccc(C(=[N@H])N)cc2","error":"Unexpected error: TypeError: Cannot read properties of undefined (reading '2')"},
 {"id":488812,"smiles":"S(Ag)Ag","error":"SmilesParser: unknown element label found. Position:2"},

public/idcode.txt

@@ -23800,3 +23800,5 @@ fjmPc@EAbdDPRPeDYEEELeCMDiTpW`pPQUTkTP@@	2,6-Dichloro-3-fluoroetomidate
 fbuPa@AFHpD`bPR[VygnuTYNZjZZj@A@@@	CF2-Etomidate
 ff}Pc@ENXHD`bPqHYEHTeMEEiidcNKVjjZZj@A@@@	CF3-Propoxate
 fdyaB@AFAHYEEDeHUDmf\\F@`jfjb@@	2-FXPr
+gfYlpXh@OFPY|qFfpESEFsTaQxBu^ovDKezppDapdID`hdMDadTTRbdWRbTTtrbTTLNbdTRbRbTtlrTtvbbftRttltRabfebTVVLXBEfrtz{WisxSIvwXBHjjjYjjjYjjjfihJhJhZfjjjiijZjjfjJbeCaMEB`ZEdQcEEXmVu@@	Paluratide
+fbuaB@AFADYEEDeHUDmlf\\F@`jfjkH@@	A-NK

public/smiles.txt

@@ -23800,3 +23800,5 @@ Iso-butomidate	CC(n1cncc1C(=O)OCC(C)C)c1ccccc1
 CF2-Etomidate	CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCC(F)F
 CF3-Propoxate	CC(C1=CC=CC=C1)N2C=NC=C2C(=O)OCCC(F)(F)F
 2-FXPr	CCCNC2(c1ccccc1F)CCCCC2=O
+Paluratide	CC[C@H](C)[C@H]1C(=O)N([C@H](C(=O)N2CC[C@H]2C(=O)N([C@H](C(=O)N(CC(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)NC4(CCCC4)C(=O)N([C@H](C(=O)N([C@@H](CC(=O)N([C@H](C(=O)N1)CC(C)C)C)C(=O)N(C)C)C)C5CCCC5)C)CCC6=CC(=C(C(=C6)F)C(F)(F)F)F)C)CC7=CC=C(C=C7)C)CC)C)C
+A-NK	O=C1CCCCC1(NCCCC#C)c1ccccc1Cl

stats.json

@@ -3871,5 +3871,6 @@
 {"date":"2025-11-04T03:57:11.920Z","molecules":23785,"errors":38,"nogood":27,"notfound":2257,"dup":534},
 {"date":"2025-11-05T03:58:20.947Z","molecules":23790,"errors":38,"nogood":27,"notfound":2259,"dup":534},
 {"date":"2025-11-06T03:59:47.767Z","molecules":23795,"errors":38,"nogood":27,"notfound":2259,"dup":534},
-{"date":"2025-11-07T03:57:52.099Z","molecules":23802,"errors":38,"nogood":27,"notfound":2260,"dup":534}
+{"date":"2025-11-07T03:57:52.099Z","molecules":23802,"errors":38,"nogood":27,"notfound":2260,"dup":534},
+{"date":"2025-11-08T03:54:02.780Z","molecules":23804,"errors":38,"nogood":27,"notfound":2260,"dup":534}
 ]