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Molecule FYI-1001497
Molecule Summary: ID: FYI-1001497 SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[ C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 476🔥, 0💬

Molecule FYI-1001494
Molecule Summary: ID: FYI-1001494 SMILES: O=CN\\N=C(C1=C(F)C=CC=C1)\\[C@ @H](C)N2N=C(C=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 473🔥, 0💬

Molecule FYI-1001487
Molecule Summary: ID: FYI-1001487 SMILES: O=C([N-][N+]1=CC=CC=C1)C(\\C)= C\\C2=CC=C(C=C2)C3=CC=C(C=C3)C (F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 473🔥, 0💬

Molecule FYI-1001508
Molecule Summary: ID: FYI-1001508 SMILES: COc1ccc(cn1)S(=O)(=O)N2CCC[C@H ]2C#NReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 467🔥, 0💬

Molecule FYI-1001491
Molecule Summary: ID: FYI-1001491 SMILES: CN(C)/C=N\\N=C(C1=CC=C(F)C=C1) \\[C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 464🔥, 0💬

Molecule FYI-1001490
Molecule Summary: ID: FYI-1001490 SMILES: CN(C)/C=N\\N=C(C1=CC=C(F)C=C1) \\[C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 464🔥, 0💬

Molecule FYI-1001488
Molecule Summary: ID: FYI-1001488 SMILES: O=C([N-][N+]1=CC=CC=C1)C(\\C)= C\\C2=CC=C(C=C2)C3=CC=C(C=C3)C (F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 463🔥, 0💬

Molecule FYI-1001495
Molecule Summary: ID: FYI-1001495 SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[ C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 461🔥, 0💬

Molecule FYI-1001424
Molecule Summary: ID: FYI-1001424 SMILES: Received at FYIcenter.com on: 2022-07-24
2022-10-01, 454🔥, 0💬

Molecule FYI-1001493
Molecule Summary: ID: FYI-1001493 SMILES: O=CN\\N=C(C1=C(F)C=CC=C1)\\[C@ @H](C)N2N=C(C=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 450🔥, 0💬

Molecule FYI-1001486
Molecule Summary: ID: FYI-1001486 SMILES: FC(F)(F)CNC(=O)C1=CC(=C(F)C=C1 C)C2N(C)N=C(C(F)(F)F)N=2Received at FYIcenter.com on: 2022-08-17
2022-10-01, 446🔥, 0💬

Molecule FYI-1001421
Molecule Summary: ID: FYI-1001421 SMILES: Received at FYIcenter.com on: 2022-07-23
2022-10-01, 434🔥, 0💬

Molecule FYI-1001416
Molecule Summary: ID: FYI-1001416 SMILES: C[C@@H]1O[C@@H](O[C@@H]2[C@@H] (CO)O[C@@H](OC3[C@@H](O)[C@@H] (CO)O[C@@H](O[C@@H]4[C@@H](CO) O[C@@H](O[C@H]5[C@@H](O)[C@@H] (CO)O[C@@H](O[C@H]([C@H](O)CO) [C@H](O)[C@@H](O)C=O)C5O)[C@H] (NC(C)=O)C4O[C@@H]4O[C@@H](C)[ C@@H](O)[C@@H](O)C4O)[C@@H]3O) [C@H](NC(C)=O)[C@H...
2022-10-01, 429🔥, 0💬

Molecule FYI-1001425
Molecule Summary: ID: FYI-1001425 SMILES: Received at FYIcenter.com on: 2022-07-25
2022-10-01, 424🔥, 0💬

Molecule FYI-1001478
Molecule Summary: ID: FYI-1001478 SMILES: Received at FYIcenter.com on: 2022-08-12
2022-10-01, 418🔥, 0💬

Molecule FYI-1001418
Molecule Summary: ID: FYI-1001418 SMILES: C1[C@@H]2[C@H]([C@H]([C@@H](O2 )N3C=NC4=C(N=CN=C43)N)OP(=O)(O C[C@@H]5[C@H]([C@H]([C@@H](O5) N6C=NC7=C6N=C(NC7=O)N)O)OP(=O) (O1)O)O)OReceived at FYIcenter.com on: 2022-07-23
2022-10-01, 417🔥, 0💬

Molecule FYI-1001483
Molecule Summary: ID: FYI-1001483 SMILES: NC=1C2=CC3 Received at FYIcenter.com on: 2022-08-16
2022-10-01, 408🔥, 0💬

Molecule FYI-1001484
Molecule Summary: ID: FYI-1001484 SMILES: CC(C)C1=CC2=CC[C@@H]3[C@](C)(C CC[C@@]3(C)C(O)=O)[C@H]2CC1Received at FYIcenter.com on: 2022-08-16
2022-10-01, 401🔥, 0💬

Molecule FYI-1001423
Molecule Summary: ID: FYI-1001423 SMILES: C[C@H]1CC[C@@]2([C@H]([C@H]3[C @@H](O2)C[C@@H]4[C@@]3(CC[C@H] 5[C@H]4CC[C@H]6[C@@]5(CC[C@@H] (C6)O)C)C)C)OC1Received at FYIcenter.com on: 2022-07-24
2022-10-01, 397🔥, 0💬

Molecule FYI-1001498
Molecule Summary: ID: FYI-1001498 SMILES: CO/C=N\\N=C(C1=CC=C(F)C=C1)\\[ C@@H](C)N2N=C(N=C2)C(F)(F)FReceived at FYIcenter.com on: 2022-08-17
2022-10-01, 356🔥, 0💬

Molecule FYI-1001479
Molecule Summary: ID: FYI-1001479 SMILES: C=C(C)[C@@H](C)CC[C@@H](C)[C@H ]1CC[C@@]2(C)[C@@H]3CC[C@H]4C( C)(C)[C@@H](O)CC[C@@]45C[C@@]3 5CC[C@]12CReceived at FYIcenter.com on: 2022-08-15
2022-10-01, 314🔥, 0💬

"obminimize" - Optimize Geometry/Energy of Molecule
What Is "obminimize" command? How to use it to optimize the geometry and minimize the energy for a given molecule? "obminimize" command is a command line tool provided in the Open Babel package that allows you to optimize the geometry and minimize the energy for a given molecule. Here is the user ma...
2022-08-27, 6523🔥, 2💬

💬 2022-08-20 FYIcenter.com: @Nathjanan, Yes. Your command is correct.

💬 2022-08-17 Nathjanan: Hello, How can I optimize small molecues? obminimize -ff MMFF94 -n 1000 *.mol2 Is this command correct? Thanks

Molecule FYI-1001436
Molecule Summary: ID: FYI-1001436 SMILES: C1=CN=C(N=C1)N2C([C@H](C)NC(=O )C3=CC(OC(F)(F)F)=CC(S(=O)(C)= O)=C3)=NC(=N2)C4CC4Received at FYIcenter.com on: 2022-07-25
2022-08-27, 841🔥, 0💬

Molecule FYI-1001442
Molecule Summary: ID: FYI-1001442 SMILES: O=C(C(C)N(CC)CC)C1=CC=CC=C1.Cl Received at FYIcenter.com on: 2022-07-26
2022-08-27, 809🔥, 0💬

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