Skip to content

Commit

Permalink
update data
Browse files Browse the repository at this point in the history
{
  "date": "2024-12-24T03:40:09.220Z",
  "molecules": 22094,
  "errors": 16,
  "nogood": 11,
  "notfound": 2393,
  "dup": 545
}
  • Loading branch information
cheminfo-bot committed Dec 24, 2024
1 parent 043ff7e commit 4b43a34
Show file tree
Hide file tree
Showing 4 changed files with 38 additions and 4 deletions.
17 changes: 14 additions & 3 deletions public/data.json

Large diffs are not rendered by default.

11 changes: 11 additions & 0 deletions public/idcode.txt
Original file line number Diff line number Diff line change
Expand Up @@ -7406,6 +7406,7 @@ ffcH`@DXuX@lbbbbbRrRNbSIV|VkUTuUUURp@@ Dipropylcyclopentylxanthine
feoy@@F\DZpX`rQQJEIJJEKIQIDhJQgAbN]RmMLtu@AU@@@ SCH-58261
ehRRB@@DBFE@Bo`\bbbfbRRttVbLtrTtHxl|ZFN^Zi`hH`hH@HY@@`hP Eltrombopag
daE@@@IIf]njjiHRP@ Trans-1,2-Diaminocyclohexane
ej~zDh@MAkgmXDLBECOLjfceSW_P|rpO@hbHqLaDcHsHRLaHSBRDaHRLQHQDaHSDRDeHAiIuymZjjZjjijjZYjjieViffJEIKHx`hb`@ Coenzyme F420
fcoYB@JLxX^r@qLbbbbQbTTRlRRQSI^Sv\DE@QE@PYX@@@ Etravirine
diDH@@RUUVjj@@ Octanal
fdiQ`@DTAHvQQJIIQQITLVjj`Z@HXP@ Lacosamide
Expand Down Expand Up @@ -10040,6 +10041,7 @@ fnsq`BHYJAAhRcdfyV{e^{^R\FkV`B@`bfhH@@ (R)-3-Nitrobiphenyline
echTB@@FL`DNelbbRbbbdRLURTJqEB`VcegdVUPsUUUULDEEUUAABhWBl`@ Aspidophytine
gFp@DiTt@@A~nFH Cyclo(6)carbon
e`zrML@NELihDLMEmcjV^QP@bhHaBLddlTRTRrTTRbVdTVjtTfbcRta`QPuwrJikojtDCA@DPBlAPBt@@@@@HRPt@ Fast Sulphon Black F
elzrMFFNELihDLMEmcjV^QP@bhHaB@}BOPStLNN{g`yceN\ddlTRTRrTTRbVdTVjtTfbcRp@dLBJFn~QUM]}V``XH@b@U`J@V`@@@@@@ Fast Sulphon Black F
fdeP`@CVAsIEEEEmieCSdmN}PUACUTH@@ Imiloxan
fbu``@C@teMrszvkpTeTAAUUUQ@@@ RDS-127
diXBcHrn@\A\{npIPEQih@@ Barium acetate
Expand Down Expand Up @@ -16157,6 +16159,7 @@ eLCADkan@ATX Copper selenide
eDAADk`@_uF Copper selenide
gKaehlDPwB{\Ucf`@ Copper(II) selenite
fi{h@@@BUivQJIKIQISZJJJly[u^|@E@DPDQ@@@@ Dapivirine
eoPpB@@@DKG\bbRbTRTRQrRRRRRRRRVRbRft\uMZdHabjZfijZff@B`@DHmIJZeizQjX Flexirubin
el|yE@@DJOFionWTpMCKLaklSP|bbTRbTT|RTVbbTLlRTTtJbeRfdTZjjfZjZijfjfjjfijhpcdJctI`@ Larazotide
ff}PJBCU`cANJlTG`ScSddfJbTVTrTtejNVjjjh@ahHrBdei@@ Nicotinamide mononucleotide
f`iQB@NBX@HrQQJEYQIDhJSoUKMP@R@@@ Tioxazafen
Expand Down Expand Up @@ -17982,6 +17985,8 @@ diTL@@JdfYUnxVjjiDgP@ Dihydrolevoglucosenone
fI@CEx@ Oxygen-15 labelled water
fb}@@@LdbbbTRbtQHcZ|yL\p@@@@@@@@@ 1,1'-Binaphthyl
eMJHBHu@ Sulfine
eMJDBDfP@ Thioformic acid
eMJDBDe`@ Thioformic acid
gCe@E`dkP@ Formylhydrazine
fjuQ@@Le@TIBPdHdQdP`iBHpTADUUSW`@@ Malonoben
difD@D@TfYdfZjf@Mdk` Polysuccinimide
Expand Down Expand Up @@ -22081,3 +22086,9 @@ efYVLL@O@djglUBk`H`bPdbLbbbfRatTRvfTRVTtRTS@dRRvrNLDDUPDDt@DuUTAX\JFHh@ Ensartin
eg`PN@@@DIDlnalbbTTTTRqbRVTURWDfgc`ST@PPAUTuUP@@@ Grayanic acid
fmxb@LJMGHypP@HrRPqQVJII[QJIIdnB|EhykVjjji^@Hfh`@@ Ilunocitinib
dkLD@@QIeUuVjjj`@ Heptyl butyrate
fmoI@@DRlxBSLsoJsLsPRmN|M[UMSTmTADU@@@ Zastaprazan
ehTTLM@AHf@a`H`bPtbKIArPRdJiAjPzdCiAzPrJJJZIKRZF[RJNJJ[bSxFBHbjijjfBH@@@@ Noviflumuron
deVD@NADfVuFVh@@@@ Methyl nicotinate
fc@h@@HdVk^sWoHheEEEDihXddeGrV`nRN[T@PPQEUULD@@ Consalazinic acid
fjm`H@@`pIVoIKdbbbTRTfJT]IQsUUUUUmUBaDPbhnRR\lh@ Gynocardin
dk\B@@P]RYVyznTviBBH@@ Daphnetin
11 changes: 11 additions & 0 deletions public/smiles.txt
Original file line number Diff line number Diff line change
Expand Up @@ -7406,6 +7406,7 @@ Dipropylcyclopentylxanthine CCCn3c(=O)c2nc(C1CCCC1)[nH]c2n(CCC)c3=O
SCH-58261 c1ccccc1CCN1N=CC2=C1N=C(N)N3C2=NC(C4=CC=CO4)=N3
Eltrombopag CC1=NN(c2ccc(C)c(C)c2)C(=O)/C1=N\Nc1cccc(-c2cccc(C(=O)O)c2)c1O
Trans-1,2-Diaminocyclohexane N[C@H]1CCCC[C@@H]1N
Coenzyme F420 C[C@@H](C(=O)N[C@@H](CCC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)OP(=O)(O)OC[C@H]([C@H]([C@H](CN1C2=CC(=O)C=CC2=CC3=C1NC(=O)NC3=O)O)O)O
Etravirine N#Cc3cc(c(Oc1nc(nc(c1Br)N)Nc2ccc(C#N)cc2)c(c3)C)C
Octanal CCCCCCCC=O
Lacosamide O=C(N[C@@H](C(=O)NCc1ccccc1)COC)C
Expand Down Expand Up @@ -10040,6 +10041,7 @@ Triisopropylamine CC(C)N(C(C)C)C(C)C
Aspidophytine O=C5O[C@@]63N2CCC[C@@]6(\C=C/[C@H]4N(c1c(ccc(OC)c1OC)[C@@]34CC2)C)C5
Cyclo(6)carbon C1#CC#CC#C1
Fast Sulphon Black F c1ccc2c(c1)ccc(c2/N=N/c3cc(cc4c3c(c(c(c4)S(=O)(=O)O)/N=N/c5ccc(c6c5cccc6)S(=O)(=O)O)O)S(=O)(=O)O)O
Fast Sulphon Black F C1=CC=C2C(=C1)C=CC(=C2N=NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=C4O)N=NC5=CC=C(C6=CC=CC=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]
Imiloxan CCN1C=CN=C1CC2COC3=CC=CC=C3O2
RDS-127 CCCN(CCC)C1CC2=C(C=CC(=C2C1)OC)OC
Barium acetate [Ba+2].[O-]C(=O)C.[O-]C(=O)C
Expand Down Expand Up @@ -16157,6 +16159,7 @@ Copper selenide [Cu].[Cu].[Se]
Copper selenide [Cu].[Se]
Copper(II) selenite [O-][Se](=O)[O-].[Cu+2]
Dapivirine Cc1cc(c(c(c1)C)Nc2ccnc(n2)Nc3ccc(cc3)C#N)C
Flexirubin CCCCCCCCCCCCC1=C(C=C(C=C1OC(=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C2=CC(=C(C=C2)O)C)C)O
Larazotide CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN
Nicotinamide mononucleotide c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)[O-])O)O)C(=O)N
Tioxazafen O1N=C(N=C1C=2SC=CC2)C3=CC=CC=C3
Expand Down Expand Up @@ -17982,6 +17985,8 @@ Dihydrolevoglucosenone [C@H]12CCC([C@H](OC1)O2)=O
Oxygen-15 labelled water [15OH2]
1,1'-Binaphthyl C1=CC=C2C(=C1)C=CC=C2C3=CC=CC4=CC=CC=C43
Sulfine C=S=O
Thioformic acid C(=O)S
Thioformic acid S=CO
Formylhydrazine C(=O)NN
Malonoben CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C=C(C#N)C#N
Polysuccinimide *C1CC(=O)N(C1=O)*
Expand Down Expand Up @@ -22081,3 +22086,9 @@ Ensartinib C[C@@H](OC1=C(N)N=NC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)N3C[C@H](C)N[C@H](C)
Grayanic acid CCCCCCCC1=C(C(=CC2=C1OC3=C(C(=CC(=C3)OC)C)C(=O)O2)O)C(=O)O
Ilunocitinib C1CC1S(=O)(=O)N2CC(C2)(CC#N)N3C=C(C=N3)C4=C5C=CNC5=NC=N4
Heptyl butyrate CCCCCCCOC(=O)CCC
Zastaprazan CC1=C(C(=CC=C1)C)CNC2=CC(=CN3C2=NC(=C3C)C)C(=O)N4CCC4
Noviflumuron C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C(=C2F)Cl)OC(C(C(F)(F)F)F)(F)F)Cl)F
Methyl nicotinate COC(=O)C1=CN=CC=C1
Consalazinic acid CC1=CC(=C(C2=C1C(=O)OC3=C(O2)C4=C(C(=C3CO)O)C(=O)OC4O)CO)O
Gynocardin C1=C[C@]([C@@H]([C@H]1O)O)(C#N)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
Daphnetin C1=CC(=C(C2=C1C=CC(=O)O2)O)O
3 changes: 2 additions & 1 deletion stats.json
Original file line number Diff line number Diff line change
Expand Up @@ -3580,5 +3580,6 @@
{"date":"2024-12-20T03:40:11.935Z","molecules":22069,"errors":16,"nogood":11,"notfound":2395,"dup":545},
{"date":"2024-12-21T03:39:06.799Z","molecules":22076,"errors":16,"nogood":11,"notfound":2396,"dup":545},
{"date":"2024-12-22T03:41:15.162Z","molecules":22077,"errors":16,"nogood":11,"notfound":2397,"dup":545},
{"date":"2024-12-23T03:40:38.005Z","molecules":22083,"errors":16,"nogood":11,"notfound":2392,"dup":545}
{"date":"2024-12-23T03:40:38.005Z","molecules":22083,"errors":16,"nogood":11,"notfound":2392,"dup":545},
{"date":"2024-12-24T03:40:09.220Z","molecules":22094,"errors":16,"nogood":11,"notfound":2393,"dup":545}
]

0 comments on commit 4b43a34

Please sign in to comment.