Property:Smiles

Purpose

Contains the formula/reaction in canonical Smiles-syntax

Datatype

String

Usage236

Filter<p>The <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Property_page/Filter">search filter</a> allows the inclusion of <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Help:Query_expressions">query expressions</a> such as <code>~</code> or <code>!</code>. The selected <a target="_blank" rel="nofollow noreferrer noopener" class="external text" href="https://www.semantic-mediawiki.org/wiki/Query_engine">query engine</a> might also support case insensitive matching or other short expressions like:</p><ul><li><code>in:</code> result should include the term, e.g. '<code>in:Foo</code>'</li></ul><ul><li><code>not:</code> result should to not include the term, e.g. '<code>not:Bar</code>'</li></ul>

Showing 20 pages using this property.

1

100984 +

C1C2C=CC3C=CC=N4[Ru+2]5(N6C7C8N5=CC=CC=8C=CC=7C=CC=6)5(N6=CC=CC7C=CC8C=CC=N5C=8C=76)N(C=2C=34)=CC=1.P(F)(F)(F)([F-])(F)(F)F.P(F)(F)(F)([F-])(F)(F)F +

100985 +

C1C2N3[Co]45N6C(=C(C=3C=1)C1C=C[N+](C)=CC=1)C=CC6=C(C1C=C[N+](C)=CC=1)C1=N4C(=C(C3C=C[N+](C)=CC=3)C3N5C(C=2C2C=C[N+](C)=CC=2)=CC=3)C=C1.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F +

100986 +

C1C2N3[Co]45N6C(=C(C7C=CC(=CC=7)S([O-])(=O)=O)C7=N4C(=C(C4C=CC(=CC=4)S([O-])(=O)=O)C4N5C(C=2C2C=CC(=CC=2)S([O-])(=O)=O)=CC=4)C=C7)C=CC=6C(C2C=CC(=CC=2)S([O-])(=O)=O)=C3C=1 +

100987 +

C1(C=C(C)N2~[Cu+](~N3C4C=2C=1C(=C(C=4C(=CC=3C)C1C=CC=CC=1)S([O-])(=O)=O)S([O-])(=O)=O)1~P(C2C=C(C=C3C(C)(C)C4=CC(=CC(P~1(C1C=CC=CC=1)C1C=CC=CC=1)=C4OC3=2)S([O-])(=O)=O)S([O-])(=O)=O)(C1C=CC=CC=1)C1C=CC=CC=1)C1C=CC=CC=1.[B-](F)(F)(F)F.[Na+].[Na+].[Na+].[Na+] +

100990 +

C1C2CS3[Ni](Cl)(Cl)45S(CC6N4=C(C3)C=CC=6)CC(N=25)=CC=1 +

100991 +

C1C=C2P(~[Cu+](~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C4OC2=C(C(C)(C)C=4C=CC=3)C=1)1~N2=C(C)C=C(C3C=CC=CC=3)C3C=CC4C(C5C=CC=CC=5)=CC(C)=N~1C=4C=32)(C1C=CC=CC=1)C1C=CC=CC=1.[P-](F)(F)(F)(F)(F)F +

100992 +

C1(C(=C(C(=C(C=1N(C1C=CC=CC=1)C1C=CC=CC=1)N(C1C=CC=CC=1)C1C=CC=CC=1)N(C1C=CC=CC=1)C1=CC=CC=C1)C#N)N(C1C=CC=CC=1)C1C=CC=CC=1)C#N +

100993 +

C1C=CC2CN3[Co+2]45N(CC3)3CCN4CC4C=CC=C(CN6CCN78[Zn+2]6(N(CC7)CC=1C=2)(N(CC8)CC1C=C(CN5CC3)C=CC=1)[OH-])C=4.O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-] +

100994 +

O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].C1C=CC=CC=1CN1[Co+2]23(N(CC1)(CCN2CC1C=CC=CC=1)CCN3CC1C=CC=CC=1)N#CC +

100995 +

C1C=CC2CN3[Zn+2]45N(CC3)3CCN4CC4C=CC=C(CN6CCN78[Zn+2]6(N(CC7)CC=1C=2)(N(CC8)CC1C=C(CN5CC3)C=CC=1)[OH-])C=4.O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-] +

100996 +

O=Cl(=O)(=O)[O-].O=Cl(=O)(=O)[O-].C1C=CC=CC=1CN1[Zn+2]23(N(CC1)(CCN2CC1C=CC=CC=1)CCN3CC1C=CC=CC=1)N#CC +

100997 +

C1C=C2C=C3C=CC=C(C4=N5[Re+](N6C=CC=CC=6C5=CC=C4)([C-]#[O+])([C-]#[O+])([C-]#[O+])[Cl-])C3=CC2=C(C2=N3[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])([Cl-])N4C=CC=CC=4C3=CC=C2)C=1 +

100998 +

C1C=C2C=C3C=CC=C(C4=N5[Re+](N6C=CC=CC=6C5=CC=C4)([C-]#[O+])([C-]#[O+])([C-]#[O+])[Cl-])C3=CC2=CC=1 +

100999 +

[Cl-][Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])1N2C=CC=CC=2C2C=CC=CN=21 +

Molecule collection 101000 +

C1C=CC=C([*])C=1[*] +

101001 +

Cc1ccccc1Br +

101002 +

CCc1ccccc1Cl +

101003 +

N1C=CC(N(C)C)=CC=1 +