diff --git a/data/tabular/sigma_aldrich_safety_data/meta.yaml b/data/tabular/sigma_aldrich_safety_data/meta.yaml new file mode 100644 index 000000000..61dabc3e7 --- /dev/null +++ b/data/tabular/sigma_aldrich_safety_data/meta.yaml @@ -0,0 +1,935 @@ +--- +name: sigma_aldrich_safety_data +description: |- + "H-statements parsed from the safety datasheets (SDS) coming from Sigma-Aldrich. This dataset refers only to pure compounds." +targets: + - id: H206 + description: fire, blast or projection hazard + type: boolean + names: + - noun: a fire, blast or projection hazard + - id: H208 + description: fire hazard + type: boolean + names: + - noun: a fire hazard + - id: H211 + description: may be sensitive + type: boolean + names: + - adjective: potentially sensitive + - id: H220 + description: extremely flammable gas + type: boolean + names: + - noun: an extremely flammable gas + - id: H221 + description: flammable gas + type: boolean + names: + - adjective: flammable gas + - id: H224 + description: extremely flammable liquid or vapor + type: boolean + names: + - noun: an extremely flammable liquid or vapor + - id: H225 + description: highly flammable liquid and vapor + type: boolean + names: + - noun: a highly flammable liquid or vapor + - id: H226 + description: flammable liquid and vapor + type: boolean + names: + - noun: a flammable liquid or vapor + - id: H228 + description: flammable solid + type: boolean + names: + - noun: a flammable solid + - id: H240 + description: heating may cause an explosion + type: boolean + names: + - noun: potential cause for an explosion + - id: H241 + description: heating may cause a fire or explosion + type: boolean + names: + - adjective: potentially explosive when heated + - id: H242 + description: heating may cause a fire + type: boolean + names: + - adjective: potentially can cause a fire when heated + - id: H250 + description: catches fire spontaneously if exposed to air + type: boolean + names: + - adjective: spontaneously catches fire if exposed to air + - id: H251 + description: self-heating; may catch fire + type: boolean + names: + - adjective: self-heating + - adjective: potentially going to catch fire + - id: H252 + description: self-heating in large quantities; may catch fire + type: boolean + names: + - adjective: self-heating in large quantities + - adjective: potentially going to catch fire + - id: H260 + description: in contact with water releases flammable gases which may ignite spontaneously + type: boolean + names: + - adjective: releasing flammable gases that may ignite spontaneously when in contact with water + - id: H261 + description: in contact with water releases flammable gas + type: boolean + names: + - adjective: releasing flammable gas when in contact with water + - id: H270 + description: may cause or intensify fire; oxidizer + type: boolean + names: + - noun: potential cause or intensifier for fire + - noun: an oxidizer + - id: H271 + description: may cause fire or explosion; strong oxidizer + type: boolean + names: + - noun: potential cause for fire or explosion + - noun: strong oxidizer + - id: H272 + description: may intensify fire; oxidizer + type: boolean + names: + - noun: potential fire intensifier fire + - noun: an oxidizer + - id: H280 + description: contains gas under pressure; may explode if heated + type: boolean + names: + - adjective: contains gas under pressure and may explode if heated + - id: H282 + description: is an extremely flammable chemical under pressure, may explode if heated + type: boolean + names: + - adjective: is an extremely flammable chemical under pressure, may explode if heated + - id: H284 + description: chemical under pressure, may explode if heated + type: boolean + names: + - adjective: is a chemical under pressure, may explode if heated + - id: H290 + description: may be corrosive to metals + type: boolean + names: + - adjective: potenttially corrosive to metals + - id: H300 + description: fatal if swallowed + type: boolean + names: + - adjective: fatal if swallowed + - id: H301 + description: toxic if swallowed + type: boolean + names: + - adjective: toxic if swallowed + - id: H302 + description: harmful if swallowed + type: boolean + names: + - adjective: harmful if swallowed + - id: H304 + description: may be fatal if swallowed and enters airways + type: boolean + names: + - adjective: probably fatal if swallowed and enters airways + - id: H310 + description: fatal in contact with skin + type: boolean + names: + - adjective: fatal in contact with skin + - id: H311 + description: toxic in contact with skin + type: boolean + names: + - adjective: is toxic in contact with skin + - id: H312 + description: harmful in contact with skin + type: boolean + names: + - adjective: is harmful in contact with skin + - id: H314 + description: causes severe skin burns and eye damage + type: boolean + names: + - adjective: causing severe skin burns and eye damage + - id: H315 + description: causes skin irritation + type: boolean + names: + - adjective: causing skin irritation + - id: H317 + description: may cause an allergic skin reaction + type: boolean + names: + - noun: potential cause for an allergic skin reaction + - id: H318 + description: causes serious eye damage + type: boolean + names: + - adjective: causing serious eye damage + - id: H319 + description: causes serious eye irritation + type: boolean + names: + - adjective: causing serious eye irritation + - id: H330 + description: fatal if inhaled + type: boolean + names: + - adjective: fatal if inhaled + - id: H331 + description: toxic if inhaled + type: boolean + names: + - adjective: toxic if inhaled + - id: H332 + description: harmful if inhaled + type: boolean + names: + - adjective: harmful if inhaled + - id: H334 + description: may cause allergy or asthma symptoms or breathing difficulties if inhaled + type: boolean + names: + - adjective: may cause allergy or asthma symptoms or breathing difficulties if inhaled + - id: H335 + description: may cause respiratory irritation + type: boolean + names: + - noun: potential cause for respiratory irritation + - id: H336 + description: may cause drowsiness or dizziness + type: boolean + names: + - noun: potential cause for drowsiness or dizziness + - id: H340 + description: may cause genetic defects + type: boolean + names: + - noun: potential cause for genetic defects + - id: H341 + description: suspected of causing genetic defects + type: boolean + names: + - adjective: suspected of causing genetic defects + - adjective: suspected of causing genetic alterations + - adjective: suspected of causing mutations + - id: H350 + description: may cause cancer + type: boolean + names: + - noun: potential cause for cancer + - id: H351 + description: suspected of causing cancer + type: boolean + names: + - adjective: suspected of causing cancer + - id: H360 + description: may damage fertility or the unborn child + type: boolean + names: + - noun: potential cause for fertility damage or the unborn child + - id: H361 + description: suspected of damaging fertility or the unborn child + type: boolean + names: + - adjective: suspected of damaging fertility or the unborn child + - id: H370 + description: causes damage to organs + type: boolean + names: + - adjective: causing damage to organs + - id: H371 + description: may cause damage to organs + type: boolean + names: + - noun: potential cause for damage to organs + - adjective: potentially causing organ damage + - id: H372 + description: causes damage to organs through prolonged or repeated exposure + type: boolean + names: + - adjective: causing damage to organs through prolonged or repeated exposure + - adjective: causing damage to organs + - id: H373 + description: may cause damage to organs through prolonged or repeated exposure + type: boolean + names: + - noun: potential cause for damage to organs through prolonged or repeated exposure + - id: H400 + description: very toxic to aquatic life + type: boolean + names: + - adjective: very toxic to aquatic life + - id: H410 + description: very toxic to aquatic life with long lasting effects + type: boolean + names: + - adjective: very toxic to aquatic life with long lasting effects + - id: H411 + description: toxic to aquatic life with long lasting effects + type: boolean + names: + - adjective: toxic to aquatic life with long lasting effects + - adjective: toxic to aquatic life + - adjective: inducing long lasting effects on aquatic life + - id: H420 + description: harms public health and the environment by destroying ozone in the upper atmosphere + type: boolean + names: + - adjective: harming public health and the environment by destroying the ozone in the upper atmosphere + - adjective: destroying the ozone in the upper atmosphere + - adjective: harming public health and the environment +identifiers: + - id: SMILES + type: SMILES + description: SMILES +links: + - url: https://www.sigmaaldrich.com/DE/de + description: corresponding source for the safety datasheets +num_points: 6420 +bibtex: [] +templates: + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H206#not &NULL}{H206__names__noun}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H208#not &NULL}{H206__names__noun}. + Assistant: Here is a molecule that is {H206#not &NULL}{H206__names__noun}: {SMILES#}. + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H206#not &NULL}{H206__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + User: I need a molecule that is {H206#not &NULL}{H206__names__noun}. + Assistant: Here is a molecule that is {H206#not &NULL}{H206__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H208#not &NULL}{H208__names__noun}. + Assistant: Here is a molecule that is {H208#not &NULL}{H208__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H211#not &NULL}{H211__names__adjective}. + Assistant: Here is a molecule that is {H211#not &NULL}{H211__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H220#not &NULL}{H220__names__noun}. + Assistant: Here is a molecule that is {H220#not &NULL}{H220__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H221#not &NULL}{H221__names__adjective}. + Assistant: Here is a molecule that is {H221#not &NULL}{H221__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H224#not &NULL}{H224__names__noun}. + Assistant: Here is a molecule that is {H224#not &NULL}{H224__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H225#not &NULL}{H225__names__noun}. + Assistant: Here is a molecule that is {H225#not &NULL}{H225__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H226#not &NULL}{H226__names__noun}. + Assistant: Here is a molecule that is {H226#not &NULL}{H226__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H228#not &NULL}{H228__names__noun}. + Assistant: Here is a molecule that is {H228#not &NULL}{H228__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H240#not &NULL}{H240__names__noun}. + Assistant: Here is a molecule that is {H240#not &NULL}{H240__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H241#not &NULL}{H241__names__adjective}. + Assistant: Here is a molecule that is {H241#not &NULL}{H241__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H242#not &NULL}{H242__names__adjective}. + Assistant: Here is a molecule that is {H242#not &NULL}{H242__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H250#not &NULL}{H250__names__adjective}. + Assistant: Here is a molecule that is {H250#not &NULL}{H250__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H251#not &NULL}{H251__names__adjective}. + Assistant: Here is a molecule that is {H251#not &NULL}{H251__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H252#not &NULL}{H252__names__adjective}. + Assistant: Here is a molecule that is {H252#not &NULL}{H252__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H260#not &NULL}{H260__names__adjective}. + Assistant: Here is a molecule that is {H260#not &NULL}{H260__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H261#not &NULL}{H261__names__adjective}. + Assistant: Here is a molecule that is {H261#not &NULL}{H261__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H270#not &NULL}{H270__names__noun}. + Assistant: Here is a molecule that is {H270#not &NULL}{H270__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H271#not &NULL}{H271__names__noun}. + Assistant: Here is a molecule that is {H271#not &NULL}{H271__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H272#not &NULL}{H272__names__noun}. + Assistant: Here is a molecule that is {H272#not &NULL}{H272__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H280#not &NULL}{H280__names__adjective}. + Assistant: Here is a molecule that is {H280#not &NULL}{H280__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H282#not &NULL}{H282__names__adjective}. + Assistant: Here is a molecule that is {H282#not &NULL}{H282__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H284#not &NULL}{H284__names__adjective}. + Assistant: Here is a molecule that is {H284#not &NULL}{H284__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H290#not &NULL}{H290__names__adjective}. + Assistant: Here is a molecule that is {H290#not &NULL}{H290__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H300#not &NULL}{H300__names__adjective}. + Assistant: Here is a molecule that is {H300#not &NULL}{H300__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H301#not &NULL}{H301__names__adjective}. + Assistant: Here is a molecule that is {H301#not &NULL}{H301__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H302#not &NULL}{H302__names__adjective}. + Assistant: Here is a molecule that is {H302#not &NULL}{H302__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H304#not &NULL}{H304__names__adjective}. + Assistant: Here is a molecule that is {H304#not &NULL}{H304__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H310#not &NULL}{H310__names__adjective}. + Assistant: Here is a molecule that is {H310#not &NULL}{H310__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H311#not &NULL}{H311__names__adjective}. + Assistant: Here is a molecule that is {H311#not &NULL}{H311__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H312#not &NULL}{H312__names__adjective}. + Assistant: Here is a molecule that is {H312#not &NULL}{H312__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H314#not &NULL}{H314__names__adjective}. + Assistant: Here is a molecule that is {H314#not &NULL}{H314__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H315#not &NULL}{H315__names__adjective}. + Assistant: Here is a molecule that is {H315#not &NULL}{H315__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H317#not &NULL}{H317__names__noun}. + Assistant: Here is a molecule that is {H317#not &NULL}{H317__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H318#not &NULL}{H318__names__adjective}. + Assistant: Here is a molecule that is {H318#not &NULL}{H318__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H319#not &NULL}{H319__names__adjective}. + Assistant: Here is a molecule that is {H319#not &NULL}{H319__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H330#not &NULL}{H330__names__adjective}. + Assistant: Here is a molecule that is {H330#not &NULL}{H330__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H331#not &NULL}{H331__names__adjective}. + Assistant: Here is a molecule that is {H331#not &NULL}{H331__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H332#not &NULL}{H332__names__adjective}. + Assistant: Here is a molecule that is {H332#not &NULL}{H332__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H334#not &NULL}{H334__names__adjective}. + Assistant: Here is a molecule that is {H334#not &NULL}{H334__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H335#not &NULL}{H335__names__noun}. + Assistant: Here is a molecule that is {H335#not &NULL}{H335__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H336#not &NULL}{H336__names__noun}. + Assistant: Here is a molecule that is {H336#not &NULL}{H336__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H340#not &NULL}{H340__names__noun}. + Assistant: Here is a molecule that is {H340#not &NULL}{H340__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H341#not &NULL}{H341__names__adjective}. + Assistant: Here is a molecule that is {H341#not &NULL}{H341__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H350#not &NULL}{H350__names__noun}. + Assistant: Here is a molecule that is {H350#not &NULL}{H350__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H351#not &NULL}{H351__names__adjective}. + Assistant: Here is a molecule that is {H351#not &NULL}{H351__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H360#not &NULL}{H360__names__noun}. + Assistant: Here is a molecule that is {H360#not &NULL}{H360__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H361#not &NULL}{H361__names__adjective}. + Assistant: Here is a molecule that is {H361#not &NULL}{H361__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H370#not &NULL}{H370__names__adjective}. + Assistant: Here is a molecule that is {H370#not &NULL}{H370__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H371#not &NULL}{H371__names__noun}. + Assistant: Here is a molecule that is {H371#not &NULL}{H371__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H371#not &NULL}{H371__names__adjective}. + Assistant: Here is a molecule that is {H371#not &NULL}{H371__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H372#not &NULL}{H372__names__adjective}. + Assistant: Here is a molecule that is {H372#not &NULL}{H372__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H373#not &NULL}{H373__names__noun}. + Assistant: Here is a molecule that is {H373#not &NULL}{H373__names__noun}: {SMILES#}. + - |- + User: I need a molecule that is {H400#not &NULL}{H400__names__adjective}. + Assistant: Here is a molecule that is {H400#not &NULL}{H400__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H410#not &NULL}{H410__names__adjective}. + Assistant: Here is a molecule that is {H410#not &NULL}{H410__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H411#not &NULL}{H411__names__adjective}. + Assistant: Here is a molecule that is {H411#not &NULL}{H411__names__adjective}: {SMILES#}. + - |- + User: I need a molecule that is {H420#not &NULL}{H420__names__adjective}. + Assistant: Here is a molecule that is {H420#not &NULL}{H420__names__adjective}: {SMILES#}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H208#not &NULL}{H208__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H211#not &NULL}{H211__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H220#not &NULL}{H220__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H221#not &NULL}{H221__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H224#not &NULL}{H224__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H225#not &NULL}{H225__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H226#not &NULL}{H226__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H228#not &NULL}{H228__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H240#not &NULL}{H240__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H241#not &NULL}{H241__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H242#not &NULL}{H242__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H250#not &NULL}{H250__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H251#not &NULL}{H251__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H252#not &NULL}{H252__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H260#not &NULL}{H260__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H261#not &NULL}{H261__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H270#not &NULL}{H270__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H271#not &NULL}{H271__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H272#not &NULL}{H272__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H280#not &NULL}{H280__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H282#not &NULL}{H282__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H284#not &NULL}{H284__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H290#not &NULL}{H290__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H300#not &NULL}{H300__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H301#not &NULL}{H301__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H302#not &NULL}{H302__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H304#not &NULL}{H304__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H310#not &NULL}{H310__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H311#not &NULL}{H311__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H312#not &NULL}{H312__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H314#not &NULL}{H314__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H315#not &NULL}{H315__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H317#not &NULL}{H317__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H318#not &NULL}{H318__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H319#not &NULL}{H319__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H330#not &NULL}{H330__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H331#not &NULL}{H331__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H332#not &NULL}{H332__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H334#not &NULL}{H334__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H335#not &NULL}{H335__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H336#not &NULL}{H336__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H340#not &NULL}{H340__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H341#not &NULL}{H341__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H350#not &NULL}{H350__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H351#not &NULL}{H351__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H360#not &NULL}{H360__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H361#not &NULL}{H361__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H370#not &NULL}{H370__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H371#not &NULL}{H371__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H371#not &NULL}{H371__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H372#not &NULL}{H372__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H373#not &NULL}{H373__names__noun}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H400#not &NULL}{H400__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H410#not &NULL}{H410__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H411#not &NULL}{H411__names__adjective}. + - The molecule with the {SMILES__description} {#representation of |!}{SMILES#} is {H420#not &NULL}{H420__names__adjective}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H208#not &NULL}{H208__names__noun}. + Assistant: Here is a molecule that is {H208#not &NULL}{H208__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H211#not &NULL}{H211__names__adjective}. + Assistant: Here is a molecule that is {H211#not &NULL}{H211__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H220#not &NULL}{H220__names__noun}. + Assistant: Here is a molecule that is {H220#not &NULL}{H220__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H221#not &NULL}{H221__names__adjective}. + Assistant: Here is a molecule that is {H221#not &NULL}{H221__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H224#not &NULL}{H224__names__noun}. + Assistant: Here is a molecule that is {H224#not &NULL}{H224__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H225#not &NULL}{H225__names__noun}. + Assistant: Here is a molecule that is {H225#not &NULL}{H225__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H226#not &NULL}{H226__names__noun}. + Assistant: Here is a molecule that is {H226#not &NULL}{H226__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H228#not &NULL}{H228__names__noun}. + Assistant: Here is a molecule that is {H228#not &NULL}{H228__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H240#not &NULL}{H240__names__noun}. + Assistant: Here is a molecule that is {H240#not &NULL}{H240__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H241#not &NULL}{H241__names__adjective}. + Assistant: Here is a molecule that is {H241#not &NULL}{H241__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H242#not &NULL}{H242__names__adjective}. + Assistant: Here is a molecule that is {H242#not &NULL}{H242__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H250#not &NULL}{H250__names__adjective}. + Assistant: Here is a molecule that is {H250#not &NULL}{H250__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H251#not &NULL}{H251__names__adjective}. + Assistant: Here is a molecule that is {H251#not &NULL}{H251__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H252#not &NULL}{H252__names__adjective}. + Assistant: Here is a molecule that is {H252#not &NULL}{H252__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H260#not &NULL}{H260__names__adjective}. + Assistant: Here is a molecule that is {H260#not &NULL}{H260__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H261#not &NULL}{H261__names__adjective}. + Assistant: Here is a molecule that is {H261#not &NULL}{H261__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H270#not &NULL}{H270__names__noun}. + Assistant: Here is a molecule that is {H270#not &NULL}{H270__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H271#not &NULL}{H271__names__noun}. + Assistant: Here is a molecule that is {H271#not &NULL}{H271__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H272#not &NULL}{H272__names__noun}. + Assistant: Here is a molecule that is {H272#not &NULL}{H272__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H280#not &NULL}{H280__names__adjective}. + Assistant: Here is a molecule that is {H280#not &NULL}{H280__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H282#not &NULL}{H282__names__adjective}. + Assistant: Here is a molecule that is {H282#not &NULL}{H282__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H284#not &NULL}{H284__names__adjective}. + Assistant: Here is a molecule that is {H284#not &NULL}{H284__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H290#not &NULL}{H290__names__adjective}. + Assistant: Here is a molecule that is {H290#not &NULL}{H290__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H300#not &NULL}{H300__names__adjective}. + Assistant: Here is a molecule that is {H300#not &NULL}{H300__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H301#not &NULL}{H301__names__adjective}. + Assistant: Here is a molecule that is {H301#not &NULL}{H301__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H302#not &NULL}{H302__names__adjective}. + Assistant: Here is a molecule that is {H302#not &NULL}{H302__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H304#not &NULL}{H304__names__adjective}. + Assistant: Here is a molecule that is {H304#not &NULL}{H304__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H310#not &NULL}{H310__names__adjective}. + Assistant: Here is a molecule that is {H310#not &NULL}{H310__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H311#not &NULL}{H311__names__adjective}. + Assistant: Here is a molecule that is {H311#not &NULL}{H311__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H312#not &NULL}{H312__names__adjective}. + Assistant: Here is a molecule that is {H312#not &NULL}{H312__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H314#not &NULL}{H314__names__adjective}. + Assistant: Here is a molecule that is {H314#not &NULL}{H314__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H315#not &NULL}{H315__names__adjective}. + Assistant: Here is a molecule that is {H315#not &NULL}{H315__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H317#not &NULL}{H317__names__noun}. + Assistant: Here is a molecule that is {H317#not &NULL}{H317__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H318#not &NULL}{H318__names__adjective}. + Assistant: Here is a molecule that is {H318#not &NULL}{H318__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H319#not &NULL}{H319__names__adjective}. + Assistant: Here is a molecule that is {H319#not &NULL}{H319__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H330#not &NULL}{H330__names__adjective}. + Assistant: Here is a molecule that is {H330#not &NULL}{H330__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H331#not &NULL}{H331__names__adjective}. + Assistant: Here is a molecule that is {H331#not &NULL}{H331__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H332#not &NULL}{H332__names__adjective}. + Assistant: Here is a molecule that is {H332#not &NULL}{H332__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H334#not &NULL}{H334__names__adjective}. + Assistant: Here is a molecule that is {H334#not &NULL}{H334__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H335#not &NULL}{H335__names__noun}. + Assistant: Here is a molecule that is {H335#not &NULL}{H335__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H336#not &NULL}{H336__names__noun}. + Assistant: Here is a molecule that is {H336#not &NULL}{H336__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H340#not &NULL}{H340__names__noun}. + Assistant: Here is a molecule that is {H340#not &NULL}{H340__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H341#not &NULL}{H341__names__adjective}. + Assistant: Here is a molecule that is {H341#not &NULL}{H341__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H350#not &NULL}{H350__names__noun}. + Assistant: Here is a molecule that is {H350#not &NULL}{H350__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H351#not &NULL}{H351__names__adjective}. + Assistant: Here is a molecule that is {H351#not &NULL}{H351__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H360#not &NULL}{H360__names__noun}. + Assistant: Here is a molecule that is {H360#not &NULL}{H360__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H361#not &NULL}{H361__names__adjective}. + Assistant: Here is a molecule that is {H361#not &NULL}{H361__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H370#not &NULL}{H370__names__adjective}. + Assistant: Here is a molecule that is {H370#not &NULL}{H370__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H371#not &NULL}{H371__names__noun}. + Assistant: Here is a molecule that is {H371#not &NULL}{H371__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H371#not &NULL}{H371__names__adjective}. + Assistant: Here is a molecule that is {H371#not &NULL}{H371__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H372#not &NULL}{H372__names__adjective}. + Assistant: Here is a molecule that is {H372#not &NULL}{H372__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H373#not &NULL}{H373__names__noun}. + Assistant: Here is a molecule that is {H373#not &NULL}{H373__names__noun}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H400#not &NULL}{H400__names__adjective}. + Assistant: Here is a molecule that is {H400#not &NULL}{H400__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H410#not &NULL}{H410__names__adjective}. + Assistant: Here is a molecule that is {H410#not &NULL}{H410__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H411#not &NULL}{H411__names__adjective}. + Assistant: Here is a molecule that is {H411#not &NULL}{H411__names__adjective}: {SMILES#}. + - |- + Chemist: {#Give me|Propose|Come up with!} a molecule that is {H420#not &NULL}{H420__names__adjective}. + Assistant: Here is a molecule that is {H420#not &NULL}{H420__names__adjective}: {SMILES#}. + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H206#not &NULL}{H208__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H211#not &NULL}{H211__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H220#not &NULL}{H220__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H221#not &NULL}{H221__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H224#not &NULL}{H224__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H225#not &NULL}{H225__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H226#not &NULL}{H226__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H228#not &NULL}{H228__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H240#not &NULL}{H240__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H241#not &NULL}{H241__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H242#not &NULL}{H242__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H250#not &NULL}{H250__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H251#not &NULL}{H251__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H252#not &NULL}{H252__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H260#not &NULL}{H260__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H261#not &NULL}{H261__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H270#not &NULL}{H270__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H271#not &NULL}{H271__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H272#not &NULL}{H272__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H280#not &NULL}{H280__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H282#not &NULL}{H282__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H284#not &NULL}{H284__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H290#not &NULL}{H290__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H300#not &NULL}{H300__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H301#not &NULL}{H301__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H302#not &NULL}{H302__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H304#not &NULL}{H304__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H310#not &NULL}{H310__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H311#not &NULL}{H311__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H312#not &NULL}{H312__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H314#not &NULL}{H314__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H315#not &NULL}{H315__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H317#not &NULL}{H317__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H318#not &NULL}{H318__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H319#not &NULL}{H319__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H330#not &NULL}{H330__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H331#not &NULL}{H331__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H332#not &NULL}{H332__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H334#not &NULL}{H334__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H335#not &NULL}{H335__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H336#not &NULL}{H336__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H340#not &NULL}{H340__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H341#not &NULL}{H341__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H350#not &NULL}{H350__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H351#not &NULL}{H351__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H360#not &NULL}{H360__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H361#not &NULL}{H361__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H370#not &NULL}{H370__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H371#not &NULL}{H371__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H371#not &NULL}{H371__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H372#not &NULL}{H372__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H373#not &NULL}{H373__names__noun}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H400#not &NULL}{H400__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H410#not &NULL}{H410__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H411#not &NULL}{H411__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} + - |- + Task: Please classify a molecule based on the description. + Description: A molecule that is {H420#not &NULL}{H420__names__adjective}. + Result: {#Molecule |!}{SMILES__description}: {SMILES#} diff --git a/data/tabular/sigma_aldrich_safety_data/transform.py b/data/tabular/sigma_aldrich_safety_data/transform.py new file mode 100644 index 000000000..d3664cbbc --- /dev/null +++ b/data/tabular/sigma_aldrich_safety_data/transform.py @@ -0,0 +1,19 @@ +import pandas as pd +from huggingface_hub import hf_hub_download + + +def transform_data(): + file = hf_hub_download( + repo_id="chemNLP/msds_sigma_aldrich", + filename="msds.csv", + repo_type="dataset", + ) + + df = pd.read_csv(file) + df = df.drop(columns=["h_statements"]) + df = df.dropna() + df.to_csv("data_clean.csv") + + +if __name__ == "__main__": + transform_data()