Property:Smiles

Purpose

Contains the formula/reaction in canonical Smiles-syntax

Datatype

String

Usage240

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

101005 +

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

101006 +

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

101008 +

CC(=O)OC1=CC=CC=C1C(=O)O +

101009 +

C1C2CN3CC4=CC=CC5CN6[Fe]3(O[Fe]378(N9CC%10C=CC=C(CN3CC3=N7C(C9)=CC=C3)N=%108)Cl)(N=54)(N=2C(C6)=CC=1)Cl +

101010 +

C1C2CN3CC4=CC=CC5CN6[Co]3(N=54)(N=2C(C6)=CC=1)(Cl)Cl +

101011 +

C1C2CN3CC4=CC=CC5CN6[Ni]3(N=54)(N=2C(C6)=CC=1)(Cl)Cl +

101012 +

C1C2CN3CC4=CC=CC5CN6[Zn]3(N=54)(N=2C(C6)=CC=1)(Cl)Cl +

101017 +

C1C(=C2OC3C(=CC=CC=3C(C)(C)C2=CC=1)P(C1C=CC=CC=1)C1C=CC=CC=1)P(C1C=CC=CC=1)C1C=CC=CC=1 +

101018 +

C1C2C3C=CC=C4C5C=CC=C6C7C=CC=C8C9C%10=N([Co+2](~O)(N=78)(N=56)(N=34)N3C=2C(C=CC=3)=CC=1)C=CC=C%10C=CC=9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] +

101019 +

C1C2C3C=CC=C4C5C=CC=C6C7C=CC=C8C9C%10=N([Fe+2](N=78)(N=56)(N=34)(N3C=2C(C=CC=3)=CC=1)~O)C=CC=C%10C=CC=9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] +

101020 +

C1C2C3C=CC=C4C5C=CC=C6C7C=CC=C8C9C%10=N([Ni](N=78)(N=56)(N=34)(N3C=2C(C=CC=3)=CC=1)~O)C=CC=C%10C=CC=9.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] +

101021 +

C1C(C)=CC2CN34[Cu]5([O+](C)(C)[Cu]678N9C(=CC=CC=9)CN6(CC6N7=CC=CC=6)CC=1C=2[S+]85)(N1C=CC=CC=1C3)N1C=CC=CC=1C4 +

101023 +

C12=CC=CC=C1[N]([Cu]3([N]4=C5NC6=CC=CC=C64)([N]7=C8NC9=CC=CC=C97)([N]%10(C5)C8)Cl[Cu]%11([N]%12%13CC%14=[N]%11C%15=CC=CC=C%15N%14)([N]%16=C(C%13)NC%17=CC=CC=C%17%16)([N]%18=C(C%12)NC%19=CC=CC=C%19%18)Cl3)=C(C%10)N2 +

101024 +

[Cu]123(N4=C(CN1(CC1NC5C(N=12)=CC=CC=5)CC1NC2C(N=13)=CC=CC=2)NC1C4=CC=CC=1)1Cl[Cu]234(N(CC5NC6C(N=52)=CC=CC=6)(CC2NC5C(N=23)=CC=CC=5)CC2NC3C(N=24)=CC=CC=3)Cl1 +

101025 +

[Cu+2]123(~N4=C(CN~1(CC1NC5C(N=1~2)=CC=CC=5)CC1NC2C(N=1~3)=CC=CC=2)NC1C4=CC=CC=1)1~[Cl-]~[Cu+2]234(~N(CC5NC6C(N=5~2)=CC=CC=6)(CC2NC5C(N=2~3)=CC=CC=5)CC2NC3C(N=2~4)=CC=CC=3)~[Cl-]~1 +

M

Molecule collection 100730 +

C1C=C2P(C3C=CC=CC=3)(C3C=CC=CC=3)~[Re+]3(N4=C(C5N3=CC([*])=C([*])C=5)C=C([*])C([*])=C4)([C-]#[O+])([C-]#[O+])~P(C3C=CC=CC=3)(C3C=CC=CC=3)C3C=CC(P(C4C=CC=CC=4)(C4C=CC=CC=4)~[Re+]4(N5=C(C6N4=CC([*])=C([*])C=6)C=C([*])C([*])=C5)([C-]#[O+])([C-]#[O+])~P(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC(P(C5C=CC=CC=5)(C5C=CC=CC=5)~[Re+]5(N6=CC([*])=C([*])C=C6C6C=C([*])C([*])=CN=65)([C-]#[O+])([C-]#[O+])~P(C5C=CC=CC=5)(C5C=CC=CC=5)C=1C=C2)=CC=4)=CC=3.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F.[P-](F)(F)(F)(F)(F)F +

Molecule collection 100751 +

C([*])1C=C2C3N([Mn+]([Br-])([C-]#[O+])([C-]#[O+])([C-]#[O+])N2=CC=1)=CC=C([*])C=3 +

Molecule collection 100772 +

C1C2N([*])P(C3C=CC=CC=3)(C3C=CC=CC=3)[Ru+]([C-]#[O+])([C-]#[O+])3P(C4C=CC=CC=4)(C4C=CC=CC=4)N([*])C(N=23)=CC=1.[Cl-] +

Molecule collection 100929 +

C1C=CC2C(=O)C3C([*])=CC([*])=C(N)C=3C(=O)C=2C=1 +

Molecule collection 100946 +

C1C=CN2~[Fe]34(~N5C=CC=CC=5C5N~3=C(C=C(C3C=CC([*])=CC=3)C=5)C3C=CC=CN=3~4)3~N4=CC=CC=C4C4C=C(C5C=CC([*])=CC=5)C=C(N=4~3)C=2C=1 +

Property:Smiles

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