update data

{
  "date": "2026-08-06T04:40:08.091Z",
  "molecules": 24919,
  "errors": 35,
  "nogood": 28,
  "notfound": 2338,
  "dup": 526
}

Author: cheminfo-bot

public/data.json

@@ -1,4 +1,4 @@
-{"stats":{"date":"2026-08-05T04:38:37.123Z","molecules":24915,"errors":35,"nogood":28,"notfound":2338,"dup":526},
+{"stats":{"date":"2026-08-06T04:40:08.091Z","molecules":24919,"errors":35,"nogood":28,"notfound":2338,"dup":526},
 "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]},
@@ -16711,7 +16711,7 @@
 {"id":51309364,"title":"Tetronic acid","smiles":"O=C1C=C(O)CO1","mf":"C4H4O3","mw":100.07292137611893,"em":100.01604398763001,"idCode":"gOq`@fdrykTt@@","sssIndex":[-10525358,1174700545,336597000,142607360,-2139095036,32,262148,-2113929208,135266304,2101280,1048576,0,-1877999616,4096,4194304,32772]},
 {"id":51309714,"title":"Trimethyltrienolone","smiles":"CC1(CC2=C3C=CC4(C(C3CCC2=CC1=O)CCC4(C)O)C)C","mf":"C21H28O2","mw":312.4466047936385,"em":312.20893014158,"idCode":"fnk@`@@UrJIRJUJYIJIR`mV|EIVfjfijjjj@@","sssIndex":[-138596429,-308110082,-1440313504,-2067797450,-649994977,577486865,17044931,-1874677618,1683113628,1665306371,1064960,671154309,16909345,-1342177280,512,32772]},
 {"id":51310398,"title":"11α-Hydroxyprogesterone","smiles":"CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C","mf":"C21H30O3","mw":330.46189122606836,"em":330.21949482561,"idCode":"fa{A`@@V[dTRTtRabrTRLhqQoARUijjjjjijh@@","sssIndex":[-138596429,-308110082,-1440313504,-1933587914,-46015073,577486865,1132730859,-800935738,-196066660,1128402179,1064976,-2013200251,151130145,-1320157180,0,32772]},
-{"id":51311241,"title":"Martinostat","smiles":"CN(Cc1ccc(cc1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3","mf":"C22H30N2O2","mw":354.4866286213769,"em":354.2307282149,"idCode":"fewP`@DV@QIevUugiUeVj}ZMlvi`@jjjjhjA@d@","sssIndex":[-525316,-1076200034,-748297149,1100331872,-1547671544,-1601157560,1654479105,-2076147440,672202760,-1610612720,538443777,4718592,-1941962239,542848,4194352,573508]},
+{"id":51311241,"title":"Martinostat","smiles":"CN(CC1=CC=C(C=C1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3","mf":"C22H30N2O2","mw":354.4866286213769,"em":354.2307282149,"idCode":"fewP`@DV@QIevUugiUeVj}ZMlvi`@jjjjhjA@d@","sssIndex":[-525316,-1076200034,-748297149,1100331872,-1547671544,-1601157560,1654479105,-2076147440,672202760,-1610612720,538443777,4718592,-1941962239,542848,4194352,573508]},
 {"id":51314085,"title":"Ethinylestriol","smiles":"C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)O","mf":"C20H24O3","mw":312.40351080499846,"em":312.17254463223003,"idCode":"fnkA`@@YjdrmkZwK_QdeV\\EL@EUUUUVULDePt\\`iJ@@","sssIndex":[-138469471,-307020546,-1574531258,-1061303626,-112043703,578548306,1132502467,-1874684714,1631650524,562042625,1082688514,-2145320832,134744337,131618,67403776,163618820]},
 {"id":51317356,"title":"4-Vinylbenzyl chloride","smiles":"C=Cc1ccc(cc1)CCl","mf":"C9H9Cl","mw":152.62102743972724,"em":152.03927797207,"idCode":"deT@`@bDee][j@BP@@","sssIndex":[-1056698368,8192,268435456,1090519296,-2147483648,192,262144,0,0,16,536870912,0,2097152,0,0,0]},
 {"id":51317436,"title":"4-Vinyltoluene","smiles":"CC1=CC=C(C=C)C=C1","mf":"C9H10","mw":118.176030611175,"em":118.0782503223,"idCode":"did@@LdbRQk``R@@","sssIndex":[1090523136,8192,0,1073742080,-2147483648,64,262144,0,0,0,536870912,0,0,0,0,0]},
@@ -24914,7 +24914,11 @@
 {"id":83838707,"title":"BRD-6929","smiles":"CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N","mf":"C19H17N3O2S","mw":351.4226817460189,"em":351.10414797474004,"idCode":"fi{pb@EVj{h@cIEDhTidhXdleBTekIZe@Hi`@ih@@@","sssIndex":[-112807656,307306753,268501124,1098907905,-2137915388,266816,2924564,-2012738296,2144,2121780,559153160,313424,-1601175030,1074003970,20,68681922]},
 {"id":83861141,"title":"Ricolinostat","smiles":"C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO","mf":"C24H27N5O3","mw":433.5037927113358,"em":433.21138975107,"idCode":"e`TZL@@DAIKC`MolbbTRRVRTRbbRRTVLf`urssTDDUU@D@LD@@@@","sssIndex":[-527906,534627605,2135244971,894570760,-2121726912,26215168,674120209,134220049,8407073,262160,557056385,18448,-2147221376,786432,275472,573509]},
 {"id":83869336,"title":"Estianeptine","smiles":"CN1C2=CC=CC=C2[C@@H](C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O","mf":"C21H25ClN2O4S","mw":436.95272379173434,"em":436.12235614929,"idCode":"fkPQ@ENEKYpQC@cHhdiiDXhldeldeJ\\M{MX@aZjbBJjXBFh@","sssIndex":[-33,-2233035,2009453543,1171788161,-2118773696,280277696,-1457200619,153616796,156883296,2383892,24417291,671444033,-2077947768,1208786946,105125264,67747916]},
-{"id":83869994,"title":"Tazbentetol","smiles":"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCOCCOCCOCCO","mf":"C21H25NO5S","mw":403.4924879219989,"em":403.14534408243003,"idCode":"fcoaR@L^ST^pAFRJJZIIKEIIIIIKEEVLzf@@@Jjjjj@@@","sssIndex":[-10488372,127493653,291242126,1234174217,-2136997852,1315426,2367508,143132952,1574944,2117684,622076168,17041488,-2138045952,270848,-2147483631,32774]}
+{"id":83869994,"title":"Tazbentetol","smiles":"C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCOCCOCCOCCO","mf":"C21H25NO5S","mw":403.4924879219989,"em":403.14534408243003,"idCode":"fcoaR@L^ST^pAFRJJZIIKEIIIIIKEEVLzf@@@Jjjjj@@@","sssIndex":[-10488372,127493653,291242126,1234174217,-2136997852,1315426,2367508,143132952,1574944,2117684,622076168,17041488,-2138045952,270848,-2147483631,32774]},
+{"id":83872233,"title":"Trimethylsilyl formate","smiles":"C[Si](C)(C)OC=O","mf":"C4H10O2Si","mw":118.20665968184127,"em":118.04500609609,"idCode":"gNphHpxYIHkUR@@","sssIndex":[-1183973103,33554945,1350570048,32768,75497472,0,1024,35651584,0,0,0,0,67108864,538968064,0,147728]},
+{"id":83886509,"title":"RGFP136","smiles":"CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=C(C=C(C=C2)F)N","mf":"C20H24FN3O2","mw":357.42261867774755,"em":357.18525518868,"idCode":"fe{pb@FBBiHICHhdhTidddihdmSgQpAEMUTp@P@@@","sssIndex":[-2625058,534635797,524632238,1909592329,-2120547328,28578368,674030100,402655504,8407073,2113552,561259657,284736,-1602207742,17563648,67108884,68683968]},
+{"id":83887125,"title":"RGFP963","smiles":"C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=CC=CC=C3N","mf":"C21H20N4O","mw":344.4104866826572,"em":344.16371128189,"idCode":"fegI@@DR|DFQQIQJISYEIJIKSoAGMjPhIFi`@H@`df@","sssIndex":[-35212519,846274817,1879114437,8397057,-2136997884,268701696,19669012,-2013265780,135271456,2506756,1327368,671370304,-2079325568,262144,4194304,68698306]},
+{"id":83887409,"title":"IHCH-8110","smiles":"CCCCCCOC1=CC=C(CNC(N([C@@H]2CC[C@@H](N)CC2)C)=O)C=C1","mf":"C21H35N3O2","mw":361.52229970636637,"em":361.27292738048004,"idCode":"fe{p`@DXbCNQQQJYIQYIEIIKS`iZjjhHHjjhPRN`@","sssIndex":[-1,-1073741825,-4389,2138786430,-1886553415,-812267949,-1903607776,816016184,14680337,134479956,-2071453568,17301552,8388608,88607376,-1878916591,169345216]}
 ],"errors":[
 {"id":488812,"smiles":"S(Ag)Ag","error":"SmilesParser: unknown element label found. Position:2"},
 {"id":1374187,"smiles":"Cl[Pt@SP1](Cl)([NH3])[NH3]","error":"SmilesParser: unexpected character inside brackets: 'S', position:6"},

public/idcode.txt

@@ -24913,3 +24913,7 @@ fi{pb@EVj{h@cIEDhTidhXdleBTekIZe@Hi`@ih@@@	BRD-6929
 e`TZL@@DAIKC`MolbbTRRVRTRbbRRTVLf`urssTDDUU@D@LD@@@@	Ricolinostat
 fkPQ@ENEKYpQC@cHhdiiDXhldeldeJ\M{MX@aZjbBJjXBFh@	Estianeptine
 fcoaR@L^ST^pAFRJJZIIKEIIIIIKEEVLzf@@@Jjjjj@@@	Tazbentetol
+gNphHpxYIHkUR@@	Trimethylsilyl formate
+fe{pb@FBBiHICHhdhTidddihdmSgQpAEMUTp@P@@@	RGFP136
+fegI@@DR|DFQQIQJISYEIJIKSoAGMjPhIFi`@H@`df@	RGFP963
+fe{p`@DXbCNQQQJYIQYIEIIKS`iZjjhHHjjhPRN`@	IHCH-8110

public/smiles.txt

@@ -16709,7 +16709,7 @@ Tetronic acid	O=C1CC(CO1)=O
 Tetronic acid	O=C1C=C(O)CO1
 Trimethyltrienolone	CC1(CC2=C3C=CC4(C(C3CCC2=CC1=O)CCC4(C)O)C)C
 11α-Hydroxyprogesterone	CC(=O)C1CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C
-Martinostat	CN(Cc1ccc(cc1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3
+Martinostat	CN(CC1=CC=C(C=C1)/C=C/C(=O)NO)CC23CC4CC(C2)CC(C4)C3
 Ethinylestriol	C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@]2(C#C)O)O)CCC4=C3C=CC(=C4)O
 4-Vinylbenzyl chloride	C=Cc1ccc(cc1)CCl
 4-Vinyltoluene	CC1=CC=C(C=C)C=C1
@@ -24913,3 +24913,7 @@ BRD-6929	CC(=O)NC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)C3=CC=CS3)N
 Ricolinostat	C1=CC=C(C=C1)N(C2=CC=CC=C2)C3=NC=C(C=N3)C(=O)NCCCCCCC(=O)NO
 Estianeptine	CN1C2=CC=CC=C2[C@@H](C3=C(S1(=O)=O)C=C(C=C3)Cl)NCCCCCCC(=O)O
 Tazbentetol	C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)OCCOCCOCCOCCO
+Trimethylsilyl formate	C[Si](C)(C)OC=O
+RGFP136	CC1=CC=C(C=C1)C(=O)NCCCCCC(=O)NC2=C(C=C(C=C2)F)N
+RGFP963	C1=CC=C(C=C1)/C=C/CN2C=C(C=N2)/C=C/C(=O)NC3=CC=CC=C3N
+IHCH-8110	CCCCCCOC1=CC=C(CNC(N([C@@H]2CC[C@@H](N)CC2)C)=O)C=C1

stats.json

@@ -4142,5 +4142,6 @@
 {"date":"2026-08-02T04:44:42.321Z","molecules":24910,"errors":35,"nogood":28,"notfound":2336,"dup":526},
 {"date":"2026-08-03T04:47:51.403Z","molecules":24911,"errors":35,"nogood":28,"notfound":2337,"dup":526},
 {"date":"2026-08-04T04:40:30.873Z","molecules":24913,"errors":35,"nogood":28,"notfound":2338,"dup":526},
-{"date":"2026-08-05T04:38:37.123Z","molecules":24915,"errors":35,"nogood":28,"notfound":2338,"dup":526}
+{"date":"2026-08-05T04:38:37.123Z","molecules":24915,"errors":35,"nogood":28,"notfound":2338,"dup":526},
+{"date":"2026-08-06T04:40:08.091Z","molecules":24919,"errors":35,"nogood":28,"notfound":2338,"dup":526}
 ]