Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1002047
Molecule Summary: ID: FYI-1002047 Names: ACETOSALIC ACID; BAYER; ASPIRIN; InChIKey: BSYNRYMUTXBXSQ-UHFFFAOYSA-N SMILES: CC(=O)OC1=CC=CC=C1C(=O)O Received at FYIcenter.com on: 2023-01-24 2023-01-24, 4636🔥, 0💬

Molecule FYI-1004928
Molecule Summary: ID: FYI-1004928 Names: InChIKey: RKVAFXCYOQTGHV-HMIIVJTLSA-L SMILES: Cc8cc(C)nc(NS(=O)(=O)c7ccc([N+ ]2=Cc1cc(I)cc(I)c1O[Zn]24([OH2 +])([OH2+])Oc3c(I)cc(I)cc3C=[N +]4c6ccc(S(=O)(=O)Nc5nc(C)cc(C )n5)cc6)cc7)n8Received at FYIcenter.com on: 2023-10-01 2023-10-11, 4622🔥, 0💬

"babel" vs. "obabel" Commands
What are the differences between "babel" and "obabel" commands? "babel" and "obabel" commands are two commands of the same Open Babel chemical data conversion program with slightly different command line syntaxes. You can see the syntax differences between "babel" and "obabel" commands by running th... 2021-07-19, 4622🔥, 0💬

Tools for SDF/Mol V3000 File Format
What are tools that support the SDF/Mol V3000 file format? There are a number of online or standalone tools that support the SDF/Mol V3000 file format. Open Babel - Can read and write molecules in SDF/Mol V3000 file format. (Convert SDF to SDF V3) fyicenter$ obabel FYI-001.sdf -o sdf -O test.sd3 -x3... 2021-04-04, 4608🔥, 0💬

Molecule FYI-1003356
Molecule Summary: ID: FYI-1003356 Names: InChIKey: OPBCOLZGTXBFTN-ZJLYAJKPSA-N SMILES: C[C@H](CS)C(=O)N1CCC[C@@H]1C(= O)O.C1CCC1Received at FYIcenter.com on: 2023-06-05 2023-07-01, 4605🔥, 0💬

Molecule FYI-1003294
Molecule Summary: ID: FYI-1003294 Names: InChIKey: RLJQKMDDWVEIGY-UHFFFAOYSA-N SMILES: COc3cccc(c2ncc(c1ccccc1C)o2)c3 OCReceived at FYIcenter.com on: 2023-05-31 2023-06-19, 4575🔥, 0💬

Molecule FYI-1002036
Molecule Summary: ID: FYI-1002036 Names: NITROBENZENE; InChIKey: LQNUZADURLCDLV-UHFFFAOYSA-N SMILES: C1=CC=C(C=C1)[N+](=O)[O-] Received at FYIcenter.com on: 2023-01-20 2023-01-20, 4575🔥, 0💬

Molecule FYI-1003680
Molecule Summary: ID: FYI-1003680 Names: PENTANE; InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N SMILES: CCCCC Received at FYIcenter.com on: 2023-07-18 2023-07-29, 4521🔥, 0💬

Molecule FYI-1003941
Molecule Summary: ID: FYI-1003941 Names: InChIKey: XAVMZYKSKCKTOL-UHFFFAOYSA-N SMILES: CCOc3cccc(c2ccc1[nH]ccc1c2)c3 Received at FYIcenter.com on: 2023-08-07 2023-08-09, 4505🔥, 0💬

Molecule FYI-1003790
Molecule Summary: ID: FYI-1003790 Names: InChIKey: LNVYCXJCGCKELS-UHFFFAOYSA-N SMILES: C1COCOCOCOCOCOCOCOCOCOCOCOCOCO COCO1Received at FYIcenter.com on: 2023-07-26 2023-08-09, 4504🔥, 0💬

Molecule FYI-1000217
Molecule Summary: ID: FYI-1000217 SMILES: C1[C@@H]2CC[C@@H]3[C@]([C@H]1O )(C2)CC[C@H]1[C@@]3(C)CCC[C@@] 1(C)C(=O)O;OC[C@H]1OC([C@H]2Oc 3ccccc3NC2=O)[C@@H]([C@H]([C@@ H]1O)O)OReceived at FYIcenter.com on: 2021-01-05 2021-08-04, 4492🔥, 1💬

"babel ... -f # -l #" - Split Large Molecule File
How to split a file with a large number of molecules? You can split a file with a large number of molecules into smaller files by extracting a chunk of molecules to the output using the "-f #" and "-l #" options. The "-f #" option specifies the index of the first molecule to be extracted. The "-l #"... 2020-09-30, 4483🔥, 0💬

Convert SDF to SVG using Open Babel
How to convert Convert SDF to SVG (Scalable Vector Graphics) using Open Babel? I want to see the molecule structure as a SVG file. If you want to see the molecule structure specified in a SDF file, you can convert it to a SVG (Scalable Vector Graphics) file using the "Open Babel" tool. 1. Download a... 2020-04-16, 4483🔥, 0💬

Molecule FYI-1001166
Molecule Summary: ID: FYI-1001166 SMILES: CCOc1ccc(CC2=NNC(=S)N2CC=C)cc1 Received at FYIcenter.com on: 2022-02-11 2022-07-01, 4455🔥, 0💬

Molecule FYI-1002970
Molecule Summary: ID: FYI-1002970 Names: NICKEL, BIS(3,5-HEPTANEDIONATO-O,O''-2 ,2,6,6-TETRAMETHYL)-;InChIKey: PIIJAZNTPALBJL-ATMONBRVSA-L SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-] .CC(C)(C)C(=CC(=O)C(C)(C)C)[O- ].[Ni+2]Received at FYIcenter.com on: 2023-05-03 2023-05-31, 4451🔥, 0💬

Molecule FYI-1003053
Molecule Summary: ID: FYI-1003053 Names: InChIKey: GOTQYQJBHFXCPO-UHFFFAOYSA-N SMILES: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c 1)cn2)ccc3OReceived at FYIcenter.com on: 2023-05-10 2023-05-31, 4436🔥, 0💬

Molecule FYI-1003453
Molecule Summary: ID: FYI-1003453 Names: InChIKey: NKPHEWJJTGPRSL-OCCSQVGLSA-N SMILES: CCC(=O)c3ccc(F)c([C@@H]1C[C@@H ]1NC(=O)Nc2ccc(C#N)cn2)c3OReceived at FYIcenter.com on: 2023-06-20 2023-07-08, 4395🔥, 0💬

Molecule FYI-1006479
Molecule Summary: ID: FYI-1006479 Names: InChIKey: VWYIWOYBERNXLX-MDZDMXLPSA-N SMILES: CCCCCCCC/C=C/CCCCCCCC(=O)OCC1C O1Received at FYIcenter.com on: 2023-12-27 2023-12-31, 4384🔥, 0💬

Molecule FYI-1001813
Molecule Summary: ID: FYI-1001813 SMILES: CC1CCC2CC(C(=CC=CC=CC(CC(C(=O) C(C(C(=CC(C(=O)CC(OC(=O)C3CCCC N3C(=O)C(=O)C1(O2)O)C(C)CC4CCC (C(C4)OC)OC(=O)C(C)(CO)CO)C)C) O)OC)C)C)C)OCReceived at FYIcenter.com on: 2022-12-13 2023-01-06, 4367🔥, 0💬

Molecule FYI-1003976
Molecule Summary: ID: FYI-1003976 Names: InChIKey: SOBPKJYDSKIMNI-UHFFFAOYSA-N SMILES: O=N(=O)c4ccc(CSc3nnc(c2ccc1ncc cc1c2)o3)cc4Received at FYIcenter.com on: 2023-08-08 2023-09-05, 4363🔥, 0💬

Molecule FYI-1006056
Molecule Summary: ID: FYI-1006056 Names: InChIKey: LGICHARVPCWPQI-AIJKTPEZSA-Q SMILES: C[C@H]6CCC[N@@H+](Cc5cc4C(=O)[ NH+](c3cccc([C@@]2(C1NNC=[N+]1 C)C[C@H](C)C2)c3)Cc4c(C(F)(F)F )c5)C6Received at FYIcenter.com on: 2023-11-25 2023-12-01, 4346🔥, 0💬

Simple Pharmacokinetics Script in Python
What Is the Simple Pharmacokinetics Script in Python? Simple Pharmacokinetics Script in Python is developed by Alex Dickson and available at https://github.com/alexrd/pk . Features supported are: can implement an arbitrary sequence of doses; can specify absorption, elimination, distribution and bind... 2023-12-21, 4310🔥, 1💬

💬 2023-12-21 Ronaldo: Trying Simple Pharmacokinetics Script on Python.

Molecule FYI-1000953
Molecule Summary: ID: FYI-1000953 SMILES: C(\\\\N=N/C1=NCCN1)C1=CC=CC(=C 1)C1=CN2C=C(\\\\C=N\\\\NC3=NCC N3)C=CC2=N1Received at FYIcenter.com on: 2021-07-28 2021-11-01, 4304🔥, 1💬

JSME Molecule Editor Options
What JSME Molecule Editor Options? JSME Molecule Editor Options are parameters that can be passed to the editor through the API to change it behavior. Here are the options supported by JSME: xbutton, noxbutton - show / hide the X button (default is xbutton) rbutton, norbutton - show / hide the R but... 2020-05-18, 4304🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus