Atom Biology General Molecule Reaction Tools Trial Virus

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Molecule FYI-1002910
Molecule Summary: ID: FYI-1002910 Names: InChIKey: ZIJXBGRPNLXMSP-UHFFFAOYSA-N SMILES: COC(=O)c2cc(S(N)(=O)=O)c(SCc1c cccc1)cc2SCc3ccccc3Received at FYIcenter.com on: 2023-04-25 2023-05-09, 747🔥, 0💬

Molecule FYI-1002506
Molecule Summary: ID: FYI-1002506 Names: InChIKey: VUWDGUFRZHAEHB-UHFFFAOYSA-N SMILES: Cc2[nH]nc(c1ccc(F)cc1)c2c3ccnc c3Received at FYIcenter.com on: 2023-04-05 2023-04-26, 747🔥, 0💬

Molecule FYI-1002068
Molecule Summary: ID: FYI-1002068 Names: InChIKey: XDTMQSROBMDMFD-UHFFFAOYSA-N SMILES: C1CCCCC1 Received at FYIcenter.com on: 2023-01-25 2023-01-25, 747🔥, 0💬

Molecule FYI-1000300
Molecule Summary: ID: FYI-1000300 SMILES: O=Cc1ccc(CO)oc1 Received at FYIcenter.com on: 2021-03-21 2022-05-31, 747🔥, 0💬

Substructure Search with Fingerprints
Can I do Substructure Search with fingerprints using Open Babel? Yes, you can do Substructure Search with fingerprints using Open Babel. All you have to do is to take substructure as the query molecule and run a similarity search using the fingerprint output option "-o fpt ". When Open Babel calcula... 2020-12-02, 746🔥, 0💬

Using Fastsearch Fingerprint Index
Where to find FAQ (Frequently Asked Questions) on Using Fastsearch Fingerprint Index with Open Babel? Here is a list of tutorials to answer many frequently asked questions compiled by FYIcenter.com team on Using Fastsearch Fingerprint Index with Open Babel. "babel ... -o fs" - Generate Fastsearch In... 2020-09-30, 745🔥, 0💬

Molecule FYI-1002019
Molecule Summary: ID: FYI-1002019 Names: InChIKey: NRZRFNYKMSAZBI-UHFFFAOYSA-N SMILES: CC(C)C(N)C(=O)NCCCS(=O)(=O)O Received at FYIcenter.com on: 2023-01-18 2023-01-18, 744🔥, 0💬

Molecule FYI-1002890
Molecule Summary: ID: FYI-1002890 Names: InChIKey: DZABBYYPQHZLHW-UHFFFAOYSA-N SMILES: NS(=O)(=O)c2cc(C(=O)NCCCC(=O)O )c(S(=O)(=O)Cc1ccccc1)cc2ClReceived at FYIcenter.com on: 2023-04-25 2023-05-09, 743🔥, 0💬

"babel -d" Command - Delete Hydrogens from Molecule Data
How to delete hydrogen atoms from molecule data during data conversion? If hydrogen atoms of a molecule are included in the input data source, you can use the "babel" generic option "-d" remove those hydrogen atoms during the molecule data conversion process. Here is an example of using the "-d" opt... 2020-07-15, 743🔥, 0💬

"babel ... -o svg -xd -xP300" Bug - Option -d takes a parameter
Why "babel ... -o svg -xd -xP300" command is giving the "Option -d takes a parameter" error in Open Babel 2.4? It seems to be another code bug in the "babel" command in Open Babel 2.4 release. "-xd" option for "svg" output format should not require any parameters according the help document: "d - do... 2020-07-15, 742🔥, 0💬

Molecule FYI-1000312
Molecule Summary: ID: FYI-1000312 SMILES: C/C(=C\\C(=O)Nc1ccc(F)cc1)NNC( =O)c1cnccn1Received at FYIcenter.com on: 2021-04-05 2022-07-26, 741🔥, 0💬

Molecule FYI-1000976
Molecule Summary: ID: FYI-1000976 SMILES: S=C1S/C(=C/c2ccccc2C)C(=O)N1CC N(C)CReceived at FYIcenter.com on: 2021-08-20 2021-12-28, 741🔥, 0💬

Molecule FYI-1002880
Molecule Summary: ID: FYI-1002880 Names: InChIKey: KICJCRSMGGMWMV-UHFFFAOYSA-N SMILES: COC(=O)c2cc(S(N)(=O)=O)c(SCCc1 ccccc1)cc2ClReceived at FYIcenter.com on: 2023-04-25 2023-05-09, 740🔥, 0💬

Molecule FYI-1002098
Molecule Summary: ID: FYI-1002098 Names: InChIKey: KTGFNPYXKIRORF-UHFFFAOYSA-O SMILES: COc%20cc7cc%21[OH+]c1c(OC)cc(c c1OC)C4Oc2c(OC)cc%16cc2c3cc(cc (OC)c3OC4CO)C5OCC6C5COC6c%13cc (OC)c%12OC(CO)Cc%19cc(OC)c%18O C(CO)Cc%10cc(OC)c9OC(CO)Cc%14c c(OC)c(OC(CO)Cc%11cc(OC)c(OC(C O)Cc8cc(OC)c(OC(CO)C7)c(c8)c9c %10... 2023-02-19, 740🔥, 0💬

Molecule FYI-1002072
Molecule Summary: ID: FYI-1002072 Names: InChIKey: OPTASPLRGRRNAP-UHFFFAOYSA-N SMILES: Nc1cc[nH]c(=O)n1 Received at FYIcenter.com on: 2023-01-25 2023-01-25, 740🔥, 0💬

Molecule FYI-1002012
Molecule Summary: ID: FYI-1002012 Names: InChIKey: JUJWROOIHBZHMG-UHFFFAOYSA-N SMILES: c1ccncc1 Received at FYIcenter.com on: 2023-01-18 2023-01-18, 740🔥, 0💬

Molecule FYI-1001106
Molecule Summary: ID: FYI-1001106 SMILES: [Mo@](/[P]=N\\[CH2])(P1(N(C)CC N1C)OC)([C][O])[CH][CH].[Mo@@] (/[P]=N\\[CH2])(P1(N(C)CCN1C)O C)([C][O])[CH][CH].[CH].[CH].[ C]C=[CH].[C]C=[CH].C[N].C[N].[ CH2].[CH2].[H].[H].[H].[H].[H] .[H]Received at FYIcenter.com on: 2022-01-04 2022-02-04, 739🔥, 0💬

"babel -i fs ... -s query_file" - Substructure Search
Why am I getting no results with "babel -i fs ... -s query_file" command? It should perform a substructure search in a fastsearch index file. According to the "babel -H fs" help document, you can perform a substructure search in a fastsearch index file with the query molecule stored in a file in any... 2020-05-25, 739🔥, 0💬

Molecule FYI-1000334
Molecule Summary: ID: FYI-1000334 SMILES: Cc1ccc(cc1F)[C@](C)(C(=O)OC)NC C(C)CReceived at FYIcenter.com on: 2021-04-05 2022-07-26, 738🔥, 0💬

Molecule FYI-1000315
Molecule Summary: ID: FYI-1000315 SMILES: CCCOc1ccc(CNC(=O)CSc2nc(C)n[nH ]2)cn1Received at FYIcenter.com on: 2021-04-05 2022-07-26, 738🔥, 0💬

Molecule FYI-1002255
Molecule Summary: ID: FYI-1002255 Names: InChIKey: AHDDXXVFDWAUGA-UHFFFAOYSA-N SMILES: CCc1cc(O)c8c6c1c2c(CC)cc(O)c4c 2c7c3c(C(C)=CC(=O)C3C4O)c5C(C) =CC(=O)C(c5c67)C8OReceived at FYIcenter.com on: 2023-02-12 2023-03-07, 737🔥, 0💬

Molecule FYI-1002231
Molecule Summary: ID: FYI-1002231 Names: InChIKey: OWTFKEBRIAXSMO-UHFFFAOYSA-N SMILES: [O-][As]([O-])[O-] Received at FYIcenter.com on: 2023-02-07 2023-02-28, 737🔥, 0💬

Molecule FYI-1000198
Molecule Summary: ID: FYI-1000198 SMILES: (1S,3R,5R,6S,8S,10S,11R,13S,15 S,16R,18S,20S,21R,23R,25R,26S, 28R,30R,31R,32R,33R,34R,35S,36 S,37S,38S,39S,40S,41R,42R)-5,1 0,15,20,25,30-Hexakis(hydroxym ethyl)-2,4,7,9,12,14,17,19,22, 24,27,29-dodecaoxaheptacyclo[2 6.2.2.23,6.28,11.213,16.218,21 .223,26]dotetracon... 2021-02-04, 737🔥, 0💬

Molecule FYI-1002059
Molecule Summary: ID: FYI-1002059 Names: PENICILLIN; InChIKey: JGSARLDLIJGVTE-UHFFFAOYSA-N SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)CC3= CC=CC=C3)C(=O)O)CReceived at FYIcenter.com on: 2023-01-24 2023-02-05, 736🔥, 0💬

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Atom Biology General Molecule Reaction Tools Trial Virus