compound_id
string | SMILES
string | toxicity_SR-MMP
int64 | split
string | SMILES_ORIGINAL
string | IMAGE
image | SELFIES
string | InChIKey
string | IUPAC
string | template_original
string | template
string |
|---|---|---|---|---|---|---|---|---|---|---|
TOX7268 | CCCCCCCCCCCCCCC | 0 | train | CCCCCCCCCCCCCCC | [C][C][C][C][C][C][C][C][C][C][C][C][C][C][C] | YCOZIPAWZNQLMR-UHFFFAOYSA-N | pentadecane | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CCCCCCCCCCCCCCC toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a.) True
b.) False
Answer: b |
|
TOX24580 | C=CCOCC(CO)(COCC=C)COCC=C | 0 | train | C=CCOCC(CO)(COCC=C)COCC=C | [C][=C][C][O][C][C][Branch1][Ring1][C][O][Branch1][=Branch1][C][O][C][C][=C][C][O][C][C][=C] | FYRWKWGEFZTOQI-UHFFFAOYSA-N | 3-prop-2-enoxy-2,2-bis(prop-2-enoxymethyl)propan-1-ol | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of C=CCOCC(CO)(COCC=C)COCC=C toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
[a] True
[b] False
Answer: b |
|
TOX27678 | c1cnc2c(n1)CCCC2 | 0 | train | c1cnc2c(n1)CCCC2 | [C][=C][N][=C][C][=Branch1][Ring2][=N][Ring1][=Branch1][C][C][C][C][Ring1][#Branch1] | XCZPDOCRSYZOBI-UHFFFAOYSA-N | 5,6,7,8-tetrahydroquinoxaline | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES c1cnc2c(n1)CCCC2 toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a: True
b: False
Answer: b |
|
TOX13595 | COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1 | 0 | train | COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1 | [C][O][C][=C][C][=Branch1][C][=O][O][C@@H1][Branch1][O][/C][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#C] | XEAQIWGXBXCYFX-GUOLPTJISA-N | (2R)-4-methoxy-2-[(E)-2-phenylethenyl]-2,3-dihydropyran-6-one | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of COC1=CC(=O)O[C@@H](/C=C/c2ccccc2)C1 toxic in the SR-Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
a.) False
b.) True
Answer: a |
|
TOX25533 | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | 0 | train | CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 | [C][C][N][Branch1][Ring1][C][C][C][C][O][C][=Branch1][C][=O][C][Branch1][S][C][C][=C][C][=C][C][=C][C][=C][C][=C][Ring1][#Branch2][Ring1][=Branch1][C][C][C][C][C][O][Ring1][Branch1] | KBAFPSLPKGSANY-UHFFFAOYSA-N | 2-(diethylamino)ethyl2-(oxolan-2-ylmethyl)-3-naphthalen-1-ylpropanoate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCN(CC)CCOC(=O)C(Cc1cccc2ccccc12)CC1CCCO1 toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a: False
b: True
Answer: a |
|
TOX26643 | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1 | 0 | train | CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1 | [C][O][/N][=C][Branch2][Ring1][N][\C][=Branch1][C][=O][N][C@@H1][C][=Branch1][C][=O][N][C][Branch1][=Branch1][C][=Branch1][C][=O][O-1][=C][C][S][C@H1][Ring1][N][Ring1][=Branch2][C][=C][S][C][Branch1][C][N][=N][Ring1][=Branch1] | NNULBSISHYWZJU-LLKWHZGFSA-M | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-methoxyiminoacetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=CCS[C@H]12)c1csc(N)n1 toxic in the SR-Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a. True
b. False
Answer: b |
|
TOX26392 | NC(=S)N/N=C/c1cccnc1 | 0 | train | NC(=S)N/N=C/c1cccnc1 | [N][C][=Branch1][C][=S][N][/N][=C][/C][=C][C][=C][N][=C][Ring1][=Branch1] | ABWLRVJYVVQTGQ-BJMVGYQFSA-N | [(E)-pyridin-3-ylmethylideneamino]thiourea | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of NC(=S)N/N=C/c1cccnc1 toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a.) True
b.) False
Answer: b |
|
TOX27338 | OC12N=C(c3ccccc3)SC1Cc1cc(Cl)ccc12 | 1 | train | OC12N=C(c3ccccc3)SC1Cc1cc(Cl)ccc12 | [O][C][N][=C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][S][C][Ring1][O][C][C][=C][C][Branch1][C][Cl][=C][C][=C][Ring1][#Branch1][Ring2][Ring1][Ring1] | RUBKYBIDEVUTQU-UHFFFAOYSA-N | 6-chloro-2-phenyl-3a,4-dihydroindeno[1,2-d][1,3]thiazol-8b-ol | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of OC12N=C(c3ccccc3)SC1Cc1cc(Cl)ccc12 toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
(a) True
(b) False
Answer: a |
|
TOX713 | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | 0 | train | NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O | [N][S][=Branch1][C][=O][=Branch1][C][=O][C][=C][C][=C][Branch1][=Branch1][C][=C][Ring1][=Branch1][Cl][N][C][N][S][Ring1][=Branch2][=Branch1][C][=O][=O] | JZUFKLXOESDKRF-UHFFFAOYSA-N | 6-chloro-1,1-dioxo-3,4-dihydro-2H-1λ6,2,4-benzothiadiazine-7-sulfonamide | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES NS(=O)(=O)c1cc2c(cc1Cl)NCNS2(=O)=O toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a) False
b) True
Answer: a |
|
TOX5312 | CCN1CCOCC1 | 0 | train | CCN1CCOCC1 | [C][C][N][C][C][O][C][C][Ring1][=Branch1] | HVCNXQOWACZAFN-UHFFFAOYSA-N | 4-ethylmorpholine | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCN1CCOCC1 toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a. False
b. True
Answer: a |
|
TOX7963 | CC(C)CCCCCCCCCCCCCCC(=O)O | 0 | train | CC(C)CCCCCCCCCCCCCCC(=O)O | [C][C][Branch1][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O] | XDOFQFKRPWOURC-UHFFFAOYSA-N | 16-methylheptadecanoic acid | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CC(C)CCCCCCCCCCCCCCC(=O)O toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
(a) False
(b) True
Answer: a |
|
TOX1472 | CCOC(=O)N(C)N=O | 0 | train | CCOC(=O)N(C)N=O | [C][C][O][C][=Branch1][C][=O][N][Branch1][C][C][N][=O] | CAUBWLYZCDDYEF-UHFFFAOYSA-N | ethyl N-methyl-N-nitrosocarbamate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCOC(=O)N(C)N=O toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a. True
b. False
Answer: b |
|
TOX12547 | CCOc1nc(C(Cl)(Cl)Cl)ns1 | 0 | train | CCOc1nc(C(Cl)(Cl)Cl)ns1 | [C][C][O][C][=N][C][Branch1][=Branch2][C][Branch1][C][Cl][Branch1][C][Cl][Cl][=N][S][Ring1][=Branch2] | KQTVWCSONPJJPE-UHFFFAOYSA-N | 5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCOc1nc(C(Cl)(Cl)Cl)ns1 toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
(a) True
(b) False
Answer: b |
|
TOX1721 | O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | 0 | train | O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 | [O][=C][C][C@@H1][O][C][C][=C][C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C@H1][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C@H1][Ring1][S][C][C@H1][Ring1][S][Ring1][=N].[O][=C][C][C@@H1][O][C][C][=C][C][N][C][C][C@][C][=C][C][=C][C][=C][Ring1][=Branch1][N][Ring2][Ring1][Ring1][C@H1][Ring1][=Branch2][C@H1][Ring2][Ring1][Ring1][C@H1][Ring1][S][C][C@H1][Ring1][S][Ring1][=N] | GTRCTFIFSLYKHF-JELCRSPPSA-N | (4aR,5aS,8aR,13aS,15aS,15bR)-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46.O=C1C[C@@H]2OCC=C3CN4CC[C@]56c7ccccc7N1[C@H]5[C@H]2[C@H]3C[C@H]46 toxic in the SR-Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
(a) True
(b) False
Answer: b |
|
TOX27593 | CC1=CCC(C(C)C)C=C1 | 0 | train | CC1=CCC(C(C)C)C=C1 | [C][C][=C][C][C][Branch1][=Branch1][C][Branch1][C][C][C][C][=C][Ring1][=Branch2] | OGLDWXZKYODSOB-UHFFFAOYSA-N | 2-methyl-5-propan-2-ylcyclohexa-1,3-diene | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CC1=CCC(C(C)C)C=C1 toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a False
b True
Answer: a |
|
TOX24809 | CCC(C)(O)CCC=C(C)C | 0 | train | CCC(C)(O)CCC=C(C)C | [C][C][C][Branch1][C][C][Branch1][C][O][C][C][C][=C][Branch1][C][C][C] | JRTBBCBDKSRRCY-UHFFFAOYSA-N | 3,7-dimethyloct-6-en-3-ol | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CCC(C)(O)CCC=C(C)C toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a True
b False
Answer: b |
|
TOX28590 | C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | 1 | train | C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C | [C][#C][C@][Branch1][N][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C@H1][C@@H1][C][C][C][=C][C][=Branch1][C][=O][C][C][C@@H1][Ring1][#Branch1][C@H1][Ring1][O][C][C][C@@][Ring1][#C][Ring2][Ring1][O][C] | APTGJECXMIKIET-WOSSHHRXSA-N | [(8R,9S,10R,13S,14S,17R)-17-ethynyl-13-methyl-3-oxo-1,2,6,7,8,9,10,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-yl] heptanoate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES C#C[C@]1(OC(=O)CCCCCC)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a) True
b) False
Answer: a |
|
TOX1404 | CNC(=S)N(C)C | 0 | train | CNC(=S)N(C)C | [C][N][C][=Branch1][C][=S][N][Branch1][C][C][C] | JAEZSIYNWDWMMN-UHFFFAOYSA-N | 1,1,3-trimethylthiourea | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CNC(=S)N(C)C toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a) False
b) True
Answer: a |
|
TOX6714 | CCCC(C)CO | 0 | train | CCCC(C)CO | [C][C][C][C][Branch1][C][C][C][O] | PFNHSEQQEPMLNI-UHFFFAOYSA-N | 2-methylpentan-1-ol | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CCCC(C)CO toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
[a] False
[b] True
Answer: a |
|
TOX587 | CCOC(=O)CBr | 0 | train | CCOC(=O)CBr | [C][C][O][C][=Branch1][C][=O][C][Br] | PQJJJMRNHATNKG-UHFFFAOYSA-N | ethyl2-bromoacetate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CCOC(=O)CBr toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a: True
b: False
Answer: b |
|
TOX21200 | CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O | 0 | train | CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O | [C][C][Branch1][=N][C][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O][/N][=C][/C][=C][C][=C][C][=C][Ring1][=Branch1][O] | RURPJGZXBHYNEM-GDAWTGGTSA-N | 2-[(E)-2-[(E)-(2-hydroxyphenyl)methylideneamino]propyliminomethyl]phenol | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CC(C/N=C/c1ccccc1O)/N=C/c1ccccc1O toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
(a) False
(b) True
Answer: a |
|
TOX886 | COC(=O)C(c1ccccc1)C1CCCCN1 | 0 | train | COC(=O)C(c1ccccc1)C1CCCCN1 | [C][O][C][=Branch1][C][=O][C][Branch1][=Branch2][C][=C][C][=C][C][=C][Ring1][=Branch1][C][C][C][C][C][N][Ring1][=Branch1] | DUGOZIWVEXMGBE-UHFFFAOYSA-N | methyl2-phenyl-2-piperidin-2-ylacetate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES COC(=O)C(c1ccccc1)C1CCCCN1 toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
a. True
b. False
Answer: b |
|
TOX24591 | CCCCN1C(=O)c2ccccc2C1=O | 0 | train | CCCCN1C(=O)c2ccccc2C1=O | [C][C][C][C][N][C][=Branch1][C][=O][C][=C][C][=C][C][=C][Ring1][=Branch1][C][Ring1][#Branch2][=O] | DLKDEVCJRCPTLN-UHFFFAOYSA-N | 2-butylisoindole-1,3-dione | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CCCCN1C(=O)c2ccccc2C1=O toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any other words.
Options:
a: True
b: False
Answer: b |
|
TOX3280 | CCC1(CC)C(=O)NC(=O)N(C)C1=O | 0 | train | CCC1(CC)C(=O)NC(=O)N(C)C1=O | [C][C][C][Branch1][Ring1][C][C][C][=Branch1][C][=O][N][C][=Branch1][C][=O][N][Branch1][C][C][C][Ring1][O][=O] | FWJKNZONDWOGMI-UHFFFAOYSA-N | 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCC1(CC)C(=O)NC(=O)N(C)C1=O toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a) True
b) False
Answer: b |
|
TOX5494 | CCCCCCCCCCCCOCC1CO1 | 0 | train | CCCCCCCCCCCCOCC1CO1 | [C][C][C][C][C][C][C][C][C][C][C][C][O][C][C][C][O][Ring1][Ring1] | VMSIYTPWZLSMOH-UHFFFAOYSA-N | 2-(dodecoxymethyl)oxirane | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCCCCCCCCCCCOCC1CO1 toxic in the SR-Mitochondrial membrane potential assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a: True
b: False
Answer: b |
|
TOX7543 | CCN(O)CC | 0 | train | CCN(O)CC | [C][C][N][Branch1][C][O][C][C] | FVCOIAYSJZGECG-UHFFFAOYSA-N | N,N-diethylhydroxylamine | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCN(O)CC toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
[a] False
[b] True
Answer: a |
|
TOX3035 | COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O | 0 | train | COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O | [C][O][C][=C][C][Branch2][Branch1][#Branch2][C@@H1][C][=C][C][=C][Branch2][Ring2][N][C][=C][Ring1][=Branch1][C][Branch2][Ring1][#Branch1][O][C@@H1][O][C@@H1][C][O][C@@H1][Branch1][C][C][O][C@H1][Ring1][#Branch1][C@H1][Branch1][C][O][C@H1][Ring1][N][O][C][C][O][C][=Branch1][C][=O][C@@H1][Ring1][=Branch1][Ring2][Ring1][N][O][C][O][Ring2][Ring1][N][=C][C][Branch1][Ring1][O][C][=C][Ring2][Ring2][#Branch1][O] | VJJPUSNTGOMMGY-NBJJDLTASA-N | (8aR,9R)-5-[[(2R,4aR,6R,7R,8R,8aS)-7,8-dihydroxy-2-methyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of COc1cc([C@@H]2c3cc4c(cc3C(O[C@@H]3O[C@@H]5CO[C@@H](C)O[C@H]5[C@H](O)[C@H]3O)C3COC(=O)[C@@H]32)OCO4)cc(OC)c1O toxic in the SR-MMP assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a.) True
b.) False
Answer: b |
|
TOX25117 | Clc1ccccc1-c1nc(-c2ccncc2)no1 | 0 | train | Clc1ccccc1-c1nc(-c2ccncc2)no1 | [Cl][C][=C][C][=C][C][=C][Ring1][=Branch1][C][=N][C][Branch1][=Branch2][C][=C][C][=N][C][=C][Ring1][=Branch1][=N][O][Ring1][O] | YXVGPSQAIBDQJD-UHFFFAOYSA-N | 5-(2-chlorophenyl)-3-pyridin-4-yl-1,2,4-oxadiazole | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of Clc1ccccc1-c1nc(-c2ccncc2)no1 toxic in the Mitochondrial membrane potential assay?
Constraint: Even if you are not sure, you must pick either a or b without using any additional words.
Options:
a: True
b: False
Answer: b |
|
TOX27537 | CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC | 0 | train | CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC | [C][C][C][C][C][C][C][C][O][C][=Branch1][C][=O][C][C][C][C][C][C][C][C][C][=Branch1][C][=O][O][C][C][C][C][C][C][C][C] | MIMDHDXOBDPUQW-UHFFFAOYSA-N | dioctyl decanedioate | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any other words.
Options:
a) False
b) True
Answer: a |
|
TOX5085 | CC(C)NC(C)C | 0 | train | CC(C)NC(C)C | [C][C][Branch1][C][C][N][C][Branch1][C][C][C] | UAOMVDZJSHZZME-UHFFFAOYSA-N | N-propan-2-ylpropan-2-amine | Task: Please answer the multiple choice question.
Question: Is the molecule with the {SMILES__description} {#representation of |!}{SMILES#} {toxicity_SR-MMP__names__adjective}?
Constraint: Even if you are {#uncertain|not sure!}, you must pick either {%multiple_choice_enum%2%aA1} without using any {#other|additional!} words.
Options:
{toxicity_SR-MMP%}
Answer: {%multiple_choice_result} | Task: Please answer the multiple choice question.
Question: Is the molecule with the SMILES representation of CC(C)NC(C)C toxic in the SR-MMP assay?
Constraint: Even if you are uncertain, you must pick either a or b without using any additional words.
Options:
a: False
b: True
Answer: a |
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