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{
  "date": "2024-07-23T03:39:28.507Z",
  "molecules": 21371,
  "errors": 12,
  "nogood": 8,
  "notfound": 2395,
  "dup": 544
}
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@cheminfo-bot
cheminfo-bot committed Jul 23, 2024
1 parent f5271c5 commit 8ec5052
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Showing 4 changed files with 29 additions and 4 deletions.
14 changes: 11 additions & 3 deletions public/data.json
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8 changes: 8 additions & 0 deletions public/idcode.txt
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Original file line number Diff line number Diff line change
Expand Up @@ -4558,6 +4558,7 @@ dg\L`NNpbDfUuijZ@Bjf@@ Clofibric acid
deVD@FADfygFV``@@@ Anthranilic acid
figAR@HHpPX@cIIChdieDleMDiZmyNZ}VjjZjjjijfTVeY^TYe@@ Dehydroepiandrosterone sulfate
ei}pM@@@DO@lkjUP|~|bbRbTTTTftJVbfTrTttbRcLRftbvt|ZVK[ZfjjjjjjjfjjjZjejjjjHaLKaBJQZRrERjKPyOKEZjNEinXDWJ{@ Oligomycin
gclNqX@@DCApT^\`t{\QtfYhBqxn@oV[CqTqQnwHhhhhdeCEMhdhdmDhhUMCDdeDmEeCDhdeMDmJhXiTeLdhkHT]CaiM~XfWOUZuUUTsATETMMTETEMCTEUATtMMUSA@qPDJLBHHILbaPeBt[HSIJ@@ Tyrocidine
fi{A`@@H]dTRbTRaRTqTRUFN}t[UUTsMT@EDFH@ Resmethrin
easpCDDHFNACjSWP|z~pHcB`@{B\BbbdRrRTRbVRRRfbbbRRRQfffRRSBa`PuwMlonl]UTuUTBhUP@AP@DQEUU@@AGDeYQT@ Rosocyanine
gOx@@eJm]KR@@ Azepine
Expand Down Expand Up @@ -10399,6 +10400,7 @@ dkmB`bWatpbBd^VS{HhheEUFfBAbX@@ 2,4-Dinitrochlorobenzene
ff}@rBHV|dmPQ@NaNAQQQQJZYJq[deNcd@`@H`b`@@@ Tricetinidin
gkuFAx@@NpC@HTZOFRhlnDnRkTVrQQQJIJIKISQSJIQJJYSIXeFZIYSSIZaHRCMbIyRABkShLfKUevzjjjjjjjZjjjjjjjjjjjjjjiY@bBDEPWARDxPQEDtPqSElaqOHBRJThJQjNdFRZYiVfz@@ Solamargine
gcqF@x@@BpC@HTZOFRhlnDnRkUdbbbTRTRVRfbfTRbTTrfRqJLtRrbVRhRD`sXb^T`PjtzCIbuZ\njjjjjjjfjjjjjjjjjjjjjjiY@bBDEPWARDxPQEDtPqSElaqOHBRJThJQjNdFRZYiVTy@@ Chaconine
gcqF@x@@BpC@HTZOFRhlnDnRkUdbbbTRTRVRfbfTRbTTrfRqJLtRrbVRhRD`sXb^T`PjtzCIbuZ\njjjjjjjfjjjjjjjjjjjjjjiY@bBDIPgARDxPQEDtPqSElaqOHBRIThJQjNdFRZYiVTy@@ Chaconine
feo@H@@DuyoQsRYfVVUuuUYHRmFSWIViZj@P@JjH@@@ Thelephoric acid
dcLF@@siWTify^ajjjjIDTjC@@ L-Glucose
fdeA`@@F]dbbbbTRVUXJU`qhJHBHB@@@ Leucoanthocyanidin
Expand Down Expand Up @@ -21351,13 +21353,19 @@ fi{IbBDBuzNR`bORWlbbRrTTRTtTRZhsU`i`@jijjZjJ@@ Paichongding
efYXFH@JMOHfklP@cIEEDceDeEMhhcHeChdcaPIIDe|CPLAUSUUUUMUTqWBd\RRrSt~`J@@ Sagopilone
gCahHlAbNj@@ Caesium fluoroaluminate
daX@E@bh|DdLdBdJdFdNd@fNPZjjj@@ Thallium(I) hexafluorophosphate
gJ@KQbSDVIlPc@z\nwDp@@ Chromium(IV) bromide
ek`RL@DHAMD`DMhIPyInUmUVUYmWbQSPkkXyh@ajhHJJjH`@@ Ethyleneoxynitazene
eohRL@DHAMD`DEhIP{HihdidddhdeEdbhnIEMBnf`BFj``hjjb@@@ Secbutonitazene
eMCBlaQkDf`@ Zirconium(II) iodide
eMC@ThabHz@ Zirconium dichloride
eMC@TiAdHz@ Zirconium difluoride
gB@BQjSDVIlP[NW[`@@ Technetium(III) bromide
eMC@TlQqHz@ Zirconium dibromide
fmQB@DXd@HRYfVUzWWYrLmDoZckMjjFHjJjj`j@@ A-PBITMO
fikq`@DTd@ulbbTTRbbdRVjNdkKVij`ZjBbh`Q@@ MDMB-BINACA
fmgHb@NBctKPNFRRJiQJIIQGQQRJuyMUURDCESUQCJ@@ ADMB-3TMS-PRINACA
fcoqB@NBbDCaddbjTRbRTQtbaRUkrU{jjjP`Xj`@`@@ CUMYL-3TMS-PRINACA
ffsHB@ANbTDPdrnrrrkmFV\GJRp@SPTCEDH@@ 4'-Chlorodeschloroalprazolam
fdya@@F@RYfUemYV|EhJBhjb@@ 3-Me-PVP
eLCCT`aB@AS[` Technetium(IV) sulfide
ffc@`@@HrJZQQZQZUKJRuYtTmUUUSTuUXqBSd@@ Palustric acid
8 changes: 8 additions & 0 deletions public/smiles.txt
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Expand Up @@ -4558,6 +4558,7 @@ Clofibric acid Clc1ccc(OC(C(=O)O)(C)C)cc1
Anthranilic acid O=C(O)c1ccccc1N
Dehydroepiandrosterone sulfate C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C
Oligomycin C[C@](C)(O)C[C@H]1O[C@@]2(CC[C@H]1C)O[C@H]3CC[C@@H](CC)/C=C\C=C\C[C@H](C)[C@H](O)[C@](C)(O)C(=O)[C@H](C)[C@@H](O)[C@H](C)C(=O)[C@@H](C)[C@H](O)[C@H](C)/C=C/C(=O)O[C@H]([C@H]2C)[C@H]3C
Tyrocidine CC(C)C[C@H]1C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCN)C(C)C)CC3=CC=C(C=C3)O)CCC(=O)N)CC(=O)N)CC4=CC=CC=C4)CC5=CC=CC=C5)CC6=CC=CC=C6
Resmethrin O=C(OCc2cc(Cc1ccccc1)oc2)C3[C@@H](/C=C(\C)C)C3(C)C
Rosocyanine [Cl-].Oc1ccc(cc1OC)/C=C/C5CC(O[B@+]3(OC(CC(/C=C/c2ccc(O)c(OC)c2)O3)/C=C/c4ccc(O)c(OC)c4)O5)/C=C/c6ccc(O)c(OC)c6
Azepine C1=CC=CNC=C1
Expand Down Expand Up @@ -10399,6 +10400,7 @@ Hirsutidin Oc1cc2c(O)cc(OC)cc2[o+]c1c3cc(OC)c(O)c(OC)c3
Tricetinidin C1=CC(=[O+]C2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O.[Cl-]
Solamargine O([C@H]8[C@H](O[C@@H]5C/C4=C/C[C@H]3[C@@H]6C[C@@H]2O[C@@]1(NC[C@H](C)CC1)[C@@H](C)[C@@H]2[C@@]6(C)CC[C@@H]3[C@@]4(C)CC5)O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]8O)[C@@H]9O[C@H]([C@H](O)[C@@H](O)[C@H]9O)C
Chaconine O([C@H]8[C@H](O[C@@H]4C/C3=C/C[C@H]2[C@@H]5C[C@@H]1N6[C@@H]([C@@H](C)[C@@H]1[C@@]5(C)CC[C@@H]2[C@@]3(C)CC4)CC[C@H](C)C6)O[C@H](CO)[C@@H](O[C@@H]7O[C@@H](C)[C@H](O)[C@@H](O)[C@H]7O)[C@@H]8O)[C@@H]9O[C@H]([C@H](O)[C@@H](O)[C@H]9O)C
Chaconine C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@H]([C@H]([C@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@@H]([C@@H](O9)C)O)O)O)C)C)C
Thelephoric acid c1c2c(cc(c1O)O)oc3c2C(=O)c4c(c5cc(c(cc5o4)O)O)C3=O
L-Glucose O[C@@H]1[C@@H](O)[C@@H](OC(O)[C@H]1O)CO
Leucoanthocyanidin C1=CC=C(C=C1)C2C(C(C3=CC=CC=C3O2)O)O
Expand Down Expand Up @@ -21351,13 +21353,19 @@ Paichongding CCCOC1CC(C(=C2N1CCN2CC3=CN=C(C=C3)Cl)[N+](=O)[O-])C
Sagopilone C[C@H]1CCC[C@@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)CC=C)(C)C)O)C3=CC4=C(C=C3)SC(=N4)C)C
Caesium fluoroaluminate O=[Cr](=O)=O
Thallium(I) hexafluorophosphate F[P-](F)(F)(F)(F)F.[Tl+]
Chromium(IV) bromide [Cr+4].[Br-].[Br-].[Br-].[Br-]
Ethyleneoxynitazene CCN(CC)CCN1C(CC2=CC=C(OCC3)C3=C2)=NC4=CC([N+]([O-])=O)=CC=C14
Secbutonitazene CCC(C)OC1=CC=C(C=C1)CC2=NC3=C(N2CCN(CC)CC)C=CC(=C3)[N+](=O)[O-]
Zirconium(II) iodide [Zr](I)I
Zirconium dichloride Cl[Zr]Cl
Zirconium difluoride F[Zr]F
Technetium(III) bromide [Br-].[Br-].[Br-].[Tc+3]
Zirconium dibromide Br[Zr]Br
A-PBITMO S=C1N(C(=O)C23CC4CC(C2)CC(C3)C4)c2ccccc2N1CCCCC
MDMB-BINACA CCCCN1C2=CC=CC=C2C(=N1)C(=O)N[C@H](C(=O)OC)C(C)(C)C
ADMB-3TMS-PRINACA C[Si](C)(C)CCCn1nc(C(=O)N[C@H](C(=O)N)C(C)(C)C)c2ccccc12
CUMYL-3TMS-PRINACA C[Si](C)(C)CCCn1nc(C(=O)NC(C)(C)c2ccccc2)c2ccccc12
4'-Chlorodeschloroalprazolam CC1=NN=C2N1C3=CC=CC=C3C(=NC2)C4=CC=C(C=C4)Cl
3-Me-PVP CCCC(C(=O)C1=CC=CC(=C1)C)N2CCCC2
Technetium(IV) sulfide [Tc].[S].[S]
Palustric acid CC(C)C1=CC2=C(CC1)[C@]3(CCC[C@@]([C@@H]3CC2)(C)C(=O)O)C
3 changes: 2 additions & 1 deletion stats.json
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Expand Up @@ -3426,5 +3426,6 @@
{"date":"2024-07-19T03:38:18.135Z","molecules":21353,"errors":12,"nogood":8,"notfound":2395,"dup":544},
{"date":"2024-07-20T03:37:24.016Z","molecules":21358,"errors":12,"nogood":8,"notfound":2398,"dup":544},
{"date":"2024-07-21T03:37:16.529Z","molecules":21359,"errors":12,"nogood":8,"notfound":2398,"dup":544},
{"date":"2024-07-22T03:37:40.007Z","molecules":21363,"errors":12,"nogood":8,"notfound":2398,"dup":544}
{"date":"2024-07-22T03:37:40.007Z","molecules":21363,"errors":12,"nogood":8,"notfound":2398,"dup":544},
{"date":"2024-07-23T03:39:28.507Z","molecules":21371,"errors":12,"nogood":8,"notfound":2395,"dup":544}
]

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