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{ "date": "2025-12-30T04:07:17.312Z", "molecules": 24003, "errors": 44, "nogood": 33, "notfound": 2268, "dup": 525 }
1 parent cab65f9 commit 167b156

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4 files changed

+17
-10
lines changed

4 files changed

+17
-10
lines changed

public/data.json

Lines changed: 7 additions & 5 deletions
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public/idcode.txt

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -12935,7 +12935,7 @@ do\B@@P]RYUYwVjjjj@@ Monoctanoin
1293512935
edQTBH@IKaKFi`JsHhdihUEDeIdheEMtiQqxdEEt\M\mlCC@DMUUUAUAUTQQTJSQNII]P@ IBNtxA
1293612936
fle`b@KPP@HrRPsIPqIPhTg^V`@jjjJBh@ OSU-6162
1293712937
em_YJD@LKDlkgh^QXDBaeP@`DHrRPqQIIQJNIIJIIJZKIYFIRprIjZyxfeZhJBj@`hjffjjfBTIHh`@ Nitrosoprodenafil
12938-
fa}QQ@I^lVk^`uHXfAJJJJUJEQIQSbhBJJZjfX@Ab@LX Technetium (99mTc) mebrofenin
12938+
eoTrELHHdaehDLBIMKONi`MRWDuq@NrRQIIQQQSTiIQSYQQQQQQRqxrHIKEWdvjjfYfjjYj@BHbbJh@@FH@LX Technetium (99mTc) mebrofenin
1293912939
foQP@@@VrRJEJIIK`mVLzjjABJ@@@ RU-28306
1294012940
dazH@LAIVVjj@@ Diethylethanolamine
1294112941
gNpBAHFPl`yAIVij`@ Trans-1,3,3,3-Tetrafluoropropene
@@ -15543,7 +15543,6 @@ gJ@KQ}RPTai@r@N\nwG`@@ Americium(IV) fluoride
1554315543
gC`BA}RPTaiBOT@@ Americium(III) fluoride
1554415544
gB@BQ}SDVIlP[NW[`@@ Americium(III) bromide
1554515545
gB@BQ}RlUYjp[NW[`@@ Americium(III) iodide
15546-
eLCszlQqA[g`@ Americium(II) bromide
1554715546
eLCszjqkA[g`@ Americium(II) iodide
1554815547
dclD@@UIfV^XYv@@B@@@ 1,5-Dihydroxynaphthalene
1554915548
efVPCH@HDLBECG@dlbf`OAJk^VYn~uUUUVrIjjjjjjijjjjjjNDHiEiKH@@ Lysophosphatidylinositol
@@ -21868,6 +21867,7 @@ gJPYHlPZGh}V@@ Perruthenate
2186821867
f`q@P@@TXiJYYv_rTEj`hJJf@@@ Pseudodillapiole
2186921868
gKdHIaDHKM@@ Acetamidine hydrochloride
2187021869
foQQ@@DJ@drtjjdhkQkMUPTDP@@ Coerulescine
21870+
fhqp`@DTT@JSKOKvo`mUUUUTcDX`@ LM11A-31
2187121871
eiTq@H@HDNIMKNe`DkIEEEEEEDdddeDhddl]ldaECGLnjeakicmog`Z^VQZjfZYbFYabY@@@j@`@@@ Lead(II) phthalocyanine
2187221872
ed^RH@@DOHl`LbbbbrTTrTRITTRbru@bc`QTVVspLKUAATTu\D@@DT@@@ CDD-2807
2187321873
eFJX|B[hp@ Phosphine oxide
@@ -23999,3 +23999,5 @@ dg]H@DtLbbbbRQVfuSUUP@@ THPC (drug)
2399923999
fekaK@JPQ`foE[t@QpHFDYIH\hdhdheLdlPiVijjjjjjjddYN`TePi@ Glucoberteroin
2400024000
fekaKDJPQ`foE[t@QpHFDD{IICeDeDeDidebEJuMUUUUUUTdcItBdjEH Glucoberteroin
2400124001
fle@P@@P\GIDiEDmMYiJBUjjjfjjjjHVEQ\ee@T@ Yingzhaosu A
24002+
ffc@H@@BMzJ\uRYfYf^WgbmA\Uh@bHHZJ@@@ Alizarin cyanine R
24003+
deUD@FdDR[VTYZjZP@ Imidazole propionate

public/smiles.txt

Lines changed: 4 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -12935,7 +12935,7 @@ Monoctanoin O=C(OCC(O)CO)CCCCCCC
1293512935
IBNtxA C1C[C@]2([C@H]3CC4=C5[C@@]2(CCN3CC6CC6)[C@H]([C@@H]1NC(=O)C7=CC(=CC=C7)I)OC5=C(C=C4)O)O
1293612936
OSU-6162 CCCN1CCC[C@H](C1)C2=CC(=CC=C2)S(=O)(=O)C
1293712937
Nitrosoprodenafil CCCc1c2c(c(nc(n2)c3cc(ccc3OCC)S(=O)(=O)N4C[C@H](N[C@H](C4)C)C)Oc5ncc(s5)N(C)N=O)n(n1)C
12938-
Technetium (99mTc) mebrofenin CC1=CC(=C(C(=C1NC(=O)CN(CC(=O)O)CC(=O)O)C)Br)C.[99Tc]
12938+
Technetium (99mTc) mebrofenin Cc3c(Br)c(C)cc(C)c3NC(=O)CN(CC(=O)O1)CC(=O)O[99Tc-]12OC(=O)CN(CC(=O)O2)CC(=O)Nc4c(C)cc(C)c(Br)c4C
1293912939
RU-28306 c13c(C2)cccc1[nH]cc3CC2N(C)C
1294012940
Diethylethanolamine CCN(CC)CCO
1294112941
Trans-1,3,3,3-Tetrafluoropropene F[C@H]=CC(F)(F)F
@@ -15543,7 +15543,6 @@ Americium(IV) fluoride [F-].[F-].[F-].[F-].[Am+4]
1554315543
Americium(III) fluoride F[Am](F)F
1554415544
Americium(III) bromide [Br-].[Br-].[Br-].[Am+3]
1554515545
Americium(III) iodide [I-].[I-].[I-].[Am+3]
15546-
Americium(II) bromide [Br-].[Br-].[Am+2]
1554715546
Americium(II) iodide [I-].[I-].[Am+2]
1554815547
1,5-Dihydroxynaphthalene c1cc2c(cccc2O)c(c1)O
1554915548
Lysophosphatidylinositol CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)O
@@ -21868,6 +21867,7 @@ Perruthenate [O-][Ru](=O)(=O)=O
2186821867
Pseudodillapiole COC1=C(C2=C(C(=C1)CC=C)OCO2)OC
2186921868
Acetamidine hydrochloride Cl.N=C(N)C
2187021869
Coerulescine O=C2Nc1c(cccc1)C23CN(CC3)C
21870+
LM11A-31 CC[C@H](C)[C@@H](C(=O)NCCN1CCOCC1)N
2187121871
Lead(II) phthalocyanine C1=CC=C2C(=C1)C3=NC4=C5C=CC=CC5=C6N4[Pb]N7C(=NC2=N3)C8=CC=CC=C8C7=NC9=NC(=N6)C1=CC=CC=C19
2187221872
CDD-2807 O=C(N1CC2(C1)CNCCC2)c1cc2c([NH]nc2C#Cc2ccccc2c2ccccc2)cc1
2187321873
Phosphine oxide [O-][PH3+]
@@ -23999,3 +23999,5 @@ THPC (drug) CCN(CC)C(=O)C1=CCCN(C1)C
2399923999
Glucoberteroin CSCCCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
2400024000
Glucoberteroin CSCCCCC/C(=N\OS(=O)(=O)[O-])/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
2400124001
Yingzhaosu A C[C@@H]1CC[C@H]2C[C@@H]1OO[C@]2(C)/C=C/[C@@H](C(C)(C)O)O
24002+
Alizarin cyanine R C1=C(C2=C(C(=C1O)O)C(=O)C3=C(C2=O)C(=CC(=C3O)O)O)O
24003+
Imidazole propionate C1=C(NC=N1)CCC(=O)O

stats.json

Lines changed: 2 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -3923,5 +3923,6 @@
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{"date":"2025-12-26T04:04:38.510Z","molecules":23995,"errors":44,"nogood":33,"notfound":2264,"dup":525},
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{"date":"2025-12-27T04:02:49.118Z","molecules":23997,"errors":44,"nogood":33,"notfound":2265,"dup":525},
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{"date":"2025-12-28T04:13:08.763Z","molecules":23998,"errors":44,"nogood":33,"notfound":2265,"dup":525},
3926-
{"date":"2025-12-29T04:16:36.657Z","molecules":24001,"errors":44,"nogood":33,"notfound":2267,"dup":525}
3926+
{"date":"2025-12-29T04:16:36.657Z","molecules":24001,"errors":44,"nogood":33,"notfound":2267,"dup":525},
3927+
{"date":"2025-12-30T04:07:17.312Z","molecules":24003,"errors":44,"nogood":33,"notfound":2268,"dup":525}
39273928
]

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