update data

{
  "date": "2025-11-24T04:03:24.870Z",
  "molecules": 23880,
  "errors": 40,
  "nogood": 29,
  "notfound": 2270,
  "dup": 525
}

Author: cheminfo-bot

public/data.json

@@ -1,4 +1,4 @@
-{"stats":{"date":"2025-11-23T04:03:25.669Z","molecules":23875,"errors":40,"nogood":29,"notfound":2270,"dup":525},
+{"stats":{"date":"2025-11-24T04:03:24.870Z","molecules":23880,"errors":40,"nogood":29,"notfound":2270,"dup":525},
 "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]},
@@ -4188,7 +4188,7 @@
 {"id":4883632,"title":"Hexylcaine","smiles":"O=C(OC(CNC1CCCCC1)C)c2ccccc2","mf":"C16H23NO2","mw":261.3599247511292,"em":261.17287898486,"idCode":"fle``@M@PdrsJrjcQRuAPQUTP@@","sssIndex":[-1,-327777,-1811940278,185605992,-578494431,1234176052,-1533787646,1109655808,10497,-2079293440,1362100225,1342177536,-1342177216,4722696,2048,524352]},
 {"id":4883792,"title":"4-Hydroxyamphetamine","smiles":"NC(C)Cc1ccc(O)cc1","mf":"C9H13NO","mw":151.2059610091064,"em":151.09971404299,"idCode":"dmvH@IAIe]Zf`@j`@@","sssIndex":[-173108479,405872768,81984,1073750144,-2147483648,16777794,-2143289344,4,66560,8388608,2,128,0,545,134283264,1081476]},
 {"id":4884363,"title":"Levorphanol","smiles":"CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4c3cc(O)cc4","mf":"C17H23NO","mw":257.37125572354614,"em":257.17796436529,"idCode":"flma@@@`rJIJYRIIIFcIF\\GtX@JjjjbkGIIFP@","sssIndex":[-9235,-1107591714,-470815145,1253440244,-1151960735,-340036022,-170812661,-998009612,1898252237,-2122252031,-1062697881,-2123825021,138418497,270140339,488734754,-1983873020]},
-{"id":4888011,"title":"DESOXY","smiles":"Cc1c(cc(cc1OC)CCN)OC","mf":"C11H17NO2","mw":195.25860074311828,"em":195.12592879148,"idCode":"dg^D@K@TinVw~f`Hbj@@","sssIndex":[-40988416,303112704,16516,1082138753,-2146304000,8770,4235268,1028,64,8192,71434242,2129920,0,33554433,1114112,269484160]},
+{"id":4888011,"title":"Desoxy (psychedelic)","smiles":"Cc1c(cc(cc1OC)CCN)OC","mf":"C11H17NO2","mw":195.25860074311828,"em":195.12592879148,"idCode":"dg^D@K@TinVw~f`Hbj@@","sssIndex":[-40988416,303112704,16516,1082138753,-2146304000,8770,4235268,1028,64,8192,71434242,2129920,0,33554433,1114112,269484160]},
 {"id":4888592,"title":"3,3',5,5'-Tetramethylbenzidine","smiles":"Cc1cc(cc(c1N)C)c2cc(c(c(c2)C)N)C","mf":"C16H20N2","mw":240.3439958517711,"em":240.16264865346,"idCode":"fdyP@@@QrJJJJjIJILEYtADP@U@@@","sssIndex":[1090686976,73728,4,1082130689,-2146304000,8256,294916,134218752,0,0,536870912,64,2,1107689472,0,1048704]},
 {"id":4897961,"title":"Titanium tetraiodide","smiles":"[Ti](I)(I)(I)I","mf":"I4Ti","mw":555.484632562722,"em":555.56582958,"idCode":"gJPJAVQhUYjpubSUT@@","sssIndex":[-2011168767,0,1073741824,32768,0,0,1024,0,0,0,0,0,0,0,0,17664]},
 {"id":4905905,"title":"Carbon tetraiodide","smiles":"IC(I)(I)I","mf":"CI4","mw":519.6286234967353,"em":519.6178876,"idCode":"gJPBAVJluXZqIjj@@","sssIndex":[-2145386495,0,0,32768,0,0,1024,0,0,0,0,0,0,0,0,1024]},
@@ -6056,7 +6056,7 @@
 {"id":10380558,"title":"DME (drug)","smiles":"COc1cc(ccc1OC)C(O)CN","mf":"C10H15NO3","mw":197.23138826258977,"em":197.10519334659,"idCode":"dg^L@KBmrQSQIHs]MAAET@@","sssIndex":[-38889727,1915953664,805323396,1098915969,-1072562112,268438082,22061060,3076,16916544,2105360,71435266,1075871760,65544,8393217,1378306,1081476]},
 {"id":10380770,"title":"DMMDA","smiles":"CC(N)Cc1cc(OC)c2OCOc2c1OC","mf":"C12H17NO4","mw":239.2681464884901,"em":239.11575803062,"idCode":"fhi`P@O@hpvRJIQYQEJDhIUAPQUU@@@","sssIndex":[-1125631,506536577,82124,1082138753,-2146304000,19149378,-1858035708,3076,16843840,10510338,71468042,2130065,8388608,33686051,-1945042688,286261376]},
 {"id":10380905,"title":"IDNNA","smiles":"Ic1cc(OC)c(cc1OC)CC(N(C)C)C","mf":"C13H20INO2","mw":349.20836669875615,"em":349.05387578817,"idCode":"fhq`b@KDdBlRYeWWfXJBBJjj@@@","sssIndex":[-1123543,510730880,1082212549,1115709569,-1877868544,18887234,-1857970172,3124,16844352,10575872,-1002273790,2130065,0,131107,470876416,289408000]},
-{"id":10381136,"title":"IRIS (psychedelic)","smiles":"COc1cc(C)c(cc1CC(C)N)OCC","mf":"C13H21NO2","mw":223.31183555281189,"em":223.1572289204,"idCode":"f`a``@G@teLl~jpiTDPUU@@@","sssIndex":[-34695423,439427713,1130692,1082138753,-2146304000,17052226,-2126471164,3076,16843840,10510336,71468042,2130065,8388608,131107,-1945042688,286261376]},
+{"id":10381136,"title":"Iris (drug)","smiles":"COc1cc(C)c(cc1CC(C)N)OCC","mf":"C13H21NO2","mw":223.31183555281189,"em":223.1572289204,"idCode":"f`a``@G@teLl~jpiTDPUU@@@","sssIndex":[-34695423,439427713,1130692,1082138753,-2146304000,17052226,-2126471164,3076,16843840,10510336,71468042,2130065,8388608,131107,-1945042688,286261376]},
 {"id":10381920,"title":"1,3-Benzodioxolylbutanamine","smiles":"CCC(CC1=CC2=C(C=C1)OCO2)N","mf":"C11H15NO2","mw":193.24271923500675,"em":193.11027872702,"idCode":"dg~D@MBdie]v|kahHBjh@@","sssIndex":[-1125599,1043407489,33767628,1082138753,-2146287616,17039938,-1874812924,3092,66880,10493954,71435266,2130064,8388608,545,-2012151808,1048704]},
 {"id":10382112,"title":"EEE (drug)","smiles":"CCOc1cc(OCC)c(cc1OCC)CC(C)N","mf":"C15H25NO3","mw":267.3644752868238,"em":267.18344366889005,"idCode":"flya`@H`YiJYYuUuaJhJBJjj@@@","sssIndex":[-34695423,439427713,1130692,1082138753,-2146304000,17052226,-2126471164,3076,16843840,10510336,71468042,2195601,8388608,131619,-1945042688,286261376]},
 {"id":10382212,"title":"EEM (drug)","smiles":"CCOc1cc(OCC)c(cc1OC)CC(C)N","mf":"C14H23NO3","mw":253.337857881977,"em":253.16779360443002,"idCode":"fdia`@@`YiJYYuuVDj`hHjj`@@","sssIndex":[-34695423,439427713,1130692,1082138753,-2146304000,17052226,-2126471164,3076,16843840,10510336,71468042,2195601,8388608,131619,-1945042688,286261376]},
@@ -23874,7 +23874,12 @@
 {"id":81661291,"title":"JGB-1-155","smiles":"CC(C)C1(CCOC(C1)(C)C)CCN(CC2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CO3","mf":"C26H38N2O3","mw":426.5925031650824,"em":426.28824309231004,"idCode":"eohTL@@DI`FElbbbbRRbJTbtRQdtTtBJFVZjZhHJbjjjR@@@","sssIndex":[-1,-131073,2147340251,2147408942,-875693067,-1431123079,1789876198,-1475220677,718348294,106169334,146014437,-1308078064,-871333885,-2077422180,4476944,134217730]},
 {"id":81661850,"title":"Myricanol","smiles":"COC1=C2C=C(CCCC[C@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O","mf":"C21H26O5","mw":358.4289380584818,"em":358.17802393582997,"idCode":"fegAP@@TxFZTwLm}lnnxmIKt]ADTPTDUTE@Z@@","sssIndex":[-4251743,-273596756,36047238,1217923473,-787333120,3191362,17080453,276827156,290979904,10510336,1690469378,2130064,1049104,1241645570,68157441,285245444]},
 {"id":81665805,"title":"SBI-797812","smiles":"C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4","mf":"C19H22N4O4S","mw":402.4678985763802,"em":402.13617637946,"idCode":"fcHR@LQKnBKY@DYIHXhddhdtidhdeVLEwe{VjB`jJZ`@b@@@","sssIndex":[-1,-8193,-69669,2134458206,-202589695,-896102868,922566808,217918296,1912715434,353698836,555491717,289429522,-859815870,5021708,570492944,-2113388479]},
-{"id":81665924,"title":"C8 (NAMPT activator)","smiles":"C1=CC(=CC=C1NC(=O)NCC2=CC=NC=C2)S(=O)(=O)NCC3=C(C=CC(=C3)F)F","mf":"C20H18F2N4O3S","mw":432.444272858034,"em":432.10676795643,"idCode":"eg`RLL@LHfkhDJ`@arPrdLddJbRTVbVRLrTRRe`RQuruA@AAEMP@@@@@","sssIndex":[-11013794,374678785,469762190,2038440201,-2135293952,2372096,275562516,143133976,134256736,2179094,554967424,16807952,-2139078646,435202,33619984,34097217]}
+{"id":81665924,"title":"C8 (NAMPT activator)","smiles":"C1=CC(=CC=C1NC(=O)NCC2=CC=NC=C2)S(=O)(=O)NCC3=C(C=CC(=C3)F)F","mf":"C20H18F2N4O3S","mw":432.444272858034,"em":432.10676795643,"idCode":"eg`RLL@LHfkhDJ`@arPrdLddJbRTVbVRLrTRRe`RQuruA@AAEMP@@@@@","sssIndex":[-11013794,374678785,469762190,2038440201,-2135293952,2372096,275562516,143133976,134256736,2179094,554967424,16807952,-2139078646,435202,33619984,34097217]},
+{"id":81670805,"title":"4-HO-NiPT","smiles":"CC(C)NCCC1=CNC2=C1C(=CC=C2)O","mf":"C13H18N2O","mw":218.29531157777208,"em":218.14191320857003,"idCode":"f`qQ@@NFAdTTRbcRTXKdhBHZjb@@","sssIndex":[-1073,-1101927040,8732806,142619009,-2146039804,10498050,-1323032044,142606340,18350080,10510336,28753953,20203712,1049092,34865152,16777476,268992582]},
+{"id":81671443,"title":"IPALT","smiles":"CC(C)N(CCC1=CNC2=CC=CC=C21)CC=C","mf":"C16H22N2","mw":242.35987735988266,"em":242.17829871792,"idCode":"fdyP@@@NrRJIEZJIKF\\FMUTta@P@@","sssIndex":[-268960785,-1101922942,1350910151,142635393,-1836840956,44052488,-1322819052,142606372,1662517760,10502144,-2118336479,52185280,68190724,1310736,285212928,524354]},
+{"id":81674900,"title":"2-Methyl-iPALT","smiles":"CC1=C(C2=CC=CC=C2N1)CCN(CC=C)C(C)C","mf":"C17H24N2","mw":256.3864947647295,"em":256.19394878238,"idCode":"fleP@@@NrRJIEZJJIDshijjfdJ@`@@","sssIndex":[-268960785,-1101922941,1350910151,142635393,-1836840956,44314632,-1322819052,-2004877276,1662517760,10633248,-2118336471,52250816,68190724,1310736,285212928,524354]},
+{"id":81675123,"title":"Α-Propyltryptamine","smiles":"CCCC(CC1=CNC2=CC=CC=C21)N","mf":"C13H18N2","mw":202.2959066534538,"em":202.14699858900002,"idCode":"foAP@@@ZRfUW{\\TyJ`Pbjh@@","sssIndex":[-273171541,1047635336,34029766,142616961,-1862254588,27275264,-2128338923,142606340,286786817,10502144,1091878944,280769,1049092,-2146172928,16777472,5767362]},
+{"id":81675289,"title":"1-Methyl-DMT","smiles":"CN1C=C(C2=CC=CC=C21)CCN(C)C","mf":"C13H18N2","mw":202.2959066534538,"em":202.14699858900002,"idCode":"foAP@@@FRigU}bLDjhDHjh@@","sssIndex":[-268961010,-1101945472,1610629255,142614913,-1879046076,10498048,287645716,142606468,18350080,10764288,18661408,151800000,1051268,135528464,16782592,2]}
 ],"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

@@ -4186,7 +4186,7 @@ fcwppBHAzAB\u[BT]dTtRTLTTTTRfqLxIpV`@jYjZ[jb@@	Nilvadipine
 fle``@M@PdrsJrjcQRuAPQUTP@@	Hexylcaine
 dmvH@IAIe]Zf`@j`@@	4-Hydroxyamphetamine
 flma@@@`rJIJYRIIIFcIF\GtX@JjjjbkGIIFP@	Levorphanol
-dg^D@K@TinVw~f`Hbj@@	DESOXY
+dg^D@K@TinVw~f`Hbj@@	Desoxy (psychedelic)
 fdyP@@@QrJJJJjIJILEYtADP@U@@@	3,3',5,5'-Tetramethylbenzidine
 gJPJAVQhUYjpubSUT@@	Titanium tetraiodide
 gJPBAVJluXZqIjj@@	Carbon tetraiodide
@@ -6054,7 +6054,7 @@ ffs@b@BUADYEEELhmBeMDfBt[pTeiZjjjjjjfLTdZN`Te@@	Clostebol
 dg^L@KBmrQSQIHs]MAAET@@	DME (drug)
 fhi`P@O@hpvRJIQYQEJDhIUAPQUU@@@	DMMDA
 fhq`b@KDdBlRYeWWfXJBBJjj@@@	IDNNA
-f`a``@G@teLl~jpiTDPUU@@@	IRIS (psychedelic)
+f`a``@G@teLl~jpiTDPUU@@@	Iris (drug)
 dg~D@MBdie]v|kahHBjh@@	1,3-Benzodioxolylbutanamine
 flya`@H`YiJYYuUuaJhJBJjj@@@	EEE (drug)
 fdia`@@`YiJYYuuVDj`hHjj`@@	EEM (drug)
@@ -23873,3 +23873,8 @@ eohTL@@DI`FElbbbbRRbJTbtRQdtTtBJFVZjZhHJbjjjR@@@	JGB-1-155
 fegAP@@TxFZTwLm}lnnxmIKt]ADTPTDUTE@Z@@	Myricanol
 fcHR@LQKnBKY@DYIHXhddhdtidhdeVLEwe{VjB`jJZ`@b@@@	SBI-797812
 eg`RLL@LHfkhDJ`@arPrdLddJbRTVbVRLrTRRe`RQuruA@AAEMP@@@@@	C8 (NAMPT activator)
+f`qQ@@NFAdTTRbcRTXKdhBHZjb@@	4-HO-NiPT
+fdyP@@@NrRJIEZJIKF\FMUTta@P@@	IPALT
+fleP@@@NrRJIEZJJIDshijjfdJ@`@@	2-Methyl-iPALT
+foAP@@@ZRfUW{\TyJ`Pbjh@@	Α-Propyltryptamine
+foAP@@@FRigU}bLDjhDHjh@@	1-Methyl-DMT

public/smiles.txt

@@ -4186,7 +4186,7 @@ Nilvadipine	CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC(C)C
 Hexylcaine	O=C(OC(CNC1CCCCC1)C)c2ccccc2
 4-Hydroxyamphetamine	NC(C)Cc1ccc(O)cc1
 Levorphanol	CN1CC[C@]23CCCC[C@H]2[C@H]1Cc4c3cc(O)cc4
-DESOXY	Cc1c(cc(cc1OC)CCN)OC
+Desoxy (psychedelic)	Cc1c(cc(cc1OC)CCN)OC
 3,3',5,5'-Tetramethylbenzidine	Cc1cc(cc(c1N)C)c2cc(c(c(c2)C)N)C
 Titanium tetraiodide	[Ti](I)(I)(I)I
 Carbon tetraiodide	IC(I)(I)I
@@ -6054,7 +6054,7 @@ Clostebol	O=C4C(\Cl)=C2/[C@]([C@H]1CC[C@@]3([C@@H](O)CC[C@H]3[C@@H]1CC2)C)(C)CC4
 DME (drug)	COc1cc(ccc1OC)C(O)CN
 DMMDA	CC(N)Cc1cc(OC)c2OCOc2c1OC
 IDNNA	Ic1cc(OC)c(cc1OC)CC(N(C)C)C
-IRIS (psychedelic)	COc1cc(C)c(cc1CC(C)N)OCC
+Iris (drug)	COc1cc(C)c(cc1CC(C)N)OCC
 1,3-Benzodioxolylbutanamine	CCC(CC1=CC2=C(C=C1)OCO2)N
 EEE (drug)	CCOc1cc(OCC)c(cc1OCC)CC(C)N
 EEM (drug)	CCOc1cc(OCC)c(cc1OC)CC(C)N
@@ -23873,3 +23873,8 @@ JGB-1-155	CC(C)C1(CCOC(C1)(C)C)CCN(CC2=CC=C(C=C2)N(C)C)C(=O)C3=CC=CO3
 Myricanol	COC1=C2C=C(CCCC[C@H](CCC3=CC2=C(C=C3)O)O)C(=C1OC)O
 SBI-797812	C1CC2CN(CC1O2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)NCC4=CC=NC=C4
 C8 (NAMPT activator)	C1=CC(=CC=C1NC(=O)NCC2=CC=NC=C2)S(=O)(=O)NCC3=C(C=CC(=C3)F)F
+4-HO-NiPT	CC(C)NCCC1=CNC2=C1C(=CC=C2)O
+IPALT	CC(C)N(CCC1=CNC2=CC=CC=C21)CC=C
+2-Methyl-iPALT	CC1=C(C2=CC=CC=C2N1)CCN(CC=C)C(C)C
+Α-Propyltryptamine	CCCC(CC1=CNC2=CC=CC=C21)N
+1-Methyl-DMT	CN1C=C(C2=CC=CC=C21)CCN(C)C

stats.json

@@ -3887,5 +3887,6 @@
 {"date":"2025-11-20T03:58:58.707Z","molecules":23858,"errors":40,"nogood":29,"notfound":2272,"dup":525},
 {"date":"2025-11-21T03:58:51.455Z","molecules":23862,"errors":40,"nogood":29,"notfound":2273,"dup":525},
 {"date":"2025-11-22T03:55:59.894Z","molecules":23871,"errors":40,"nogood":29,"notfound":2272,"dup":525},
-{"date":"2025-11-23T04:03:25.669Z","molecules":23875,"errors":40,"nogood":29,"notfound":2270,"dup":525}
+{"date":"2025-11-23T04:03:25.669Z","molecules":23875,"errors":40,"nogood":29,"notfound":2270,"dup":525},
+{"date":"2025-11-24T04:03:24.870Z","molecules":23880,"errors":40,"nogood":29,"notfound":2270,"dup":525}
 ]