exact_match bool 2
classes | id stringlengths 46 46 | kind stringclasses 2
values | max_steps int64 2 5 | messages listlengths 6 41 | provider stringclasses 1
value | reward float64 0.83 1 | source stringclasses 1
value | target_smiles stringlengths 9 120 | task_id stringlengths 26 26 | tool_calls int64 3 29 | tools stringclasses 1
value | toolset stringclasses 1
value | turns int64 2 12 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
true | retro_000051229c9657679df3:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCOC(=O)c1cc2c(s1)CCN(C(=O)OCC)C2 | retro_000051229c9657679df3 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0002b7c48de1e8e87ec2:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCOC(=O)c1cc(C#N)c(N2CCC(C(=O)NS(=O)(=O)Cc3ccc(Cl)cc3)CC2)nc1C(F)F | retro_0002b7c48de1e8e87ec2 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0003b4385de5f73ebcda:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1sc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1C(=O)Nc1ccc(F)c(C#N)c1 | retro_0003b4385de5f73ebcda | 14 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_0003b4385de5f73ebcda:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1sc(S(=O)(=O)N[C@@H](C)C(F)(F)F)cc1C(=O)Nc1ccc(F)c(C#N)c1 | retro_0003b4385de5f73ebcda | 17 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00069cedfc5691d5ec1b:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1ccc(C(=O)Cl)cc1C#N | retro_00069cedfc5691d5ec1b | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00069cedfc5691d5ec1b:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1ccc(C(=O)Cl)cc1C#N | retro_00069cedfc5691d5ec1b | 19 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_00119d8aa850f59d3a4e:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C(NS(=O)(=O)N1CC[C@H](O)C1)c1cc(Cl)c(OCC23CC4CC(CC(C4)C2)C3)cc1F | retro_00119d8aa850f59d3a4e | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0013f7716da99099d949:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COCCN1CCN(c2ccc(Nc3nc(Br)cn4ccnc34)cc2)CC1 | retro_0013f7716da99099d949 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00158781f153f90b03b4:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1ccc(C(=O)OC2CCN(Cc3ccccc3N)CC2)cc1 | retro_00158781f153f90b03b4 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_001824218294e92add5a:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1ccc(-n2ccc(NC(=O)c3cc(N4CCCCC4)ccc3N)n2)cc1C | retro_001824218294e92add5a | 23 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 10 |
true | retro_001824218294e92add5a:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1ccc(-n2ccc(NC(=O)c3cc(N4CCCCC4)ccc3N)n2)cc1C | retro_001824218294e92add5a | 18 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_001e6c927b099b1333bf:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1ccc(F)cc1-c1ccc2cc(NC(=O)N3CCN(C)CC3)ncc2c1 | retro_001e6c927b099b1333bf | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_001e6c927b099b1333bf:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1ccc(F)cc1-c1ccc2cc(NC(=O)N3CCN(C)CC3)ncc2c1 | retro_001e6c927b099b1333bf | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_001f73651b0638558585:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CN(CCCOc1ccccc1)c1ccccc1 | retro_001f73651b0638558585 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0022ae7614ee9d187b69:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)(C)OC(=O)Cn1cc(C(=O)C(F)(F)F)c2ccc(Br)cc21 | retro_0022ae7614ee9d187b69 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0025316cd1c17de6fd67:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C(NCCC1CC1)c1ccc(N2CCN(c3nc4ccccc4s3)CC2)nn1 | retro_0025316cd1c17de6fd67 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00291b2b920e910cd88c:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cccc(N)c1C | retro_00291b2b920e910cd88c | 6 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_00291b70568b216e4035:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)CCN(C(=O)OC(C)(C)C)C2 | retro_00291b70568b216e4035 | 18 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00291b70568b216e4035:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cn1c2c(c3ccc(N4CCN(CCc5ccccc5)CC4=O)cc31)CCN(C(=O)OC(C)(C)C)C2 | retro_00291b70568b216e4035 | 17 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_002921c1f4f31704a95a:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CN(C)c1nc(Cl)nc(-n2ccnc2)n1 | retro_002921c1f4f31704a95a | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0034c76bbf5ca8d7d308:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cc(-c2nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)n2)cc2c1ccn2C | retro_0034c76bbf5ca8d7d308 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_003816dc616334610dfa:reference-expert:a1 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Clc1cccc([C@@H]2CO2)c1 | retro_003816dc616334610dfa | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0042694d879d3e739035:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)CNC(=O)c1ccc(O)cc1 | retro_0042694d879d3e739035 | 6 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_0047d56d2684827ed1fc:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cc2ncnc(Nc3nc4ccc(NC(=O)c5ccc(C)cc5)cc4s3)c2cc1OC | retro_0047d56d2684827ed1fc | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_004942915b61a8aed9df:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | C[Si](C)(C)CCOCn1nccc1C(=O)c1ccc2[nH]c(=O)sc2c1 | retro_004942915b61a8aed9df | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_004d376808024b3a134a:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)(Nc1nc(-c2ccncc2)c(-c2ccc(F)cc2)c2nncn12)c1ccccc1 | retro_004d376808024b3a134a | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_004e9983fca2b5e57c9e:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | OCc1csc(C(F)(F)F)n1 | retro_004e9983fca2b5e57c9e | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_004f727249c7dc1ce625:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1ccc2c(c1)CCn1c-2cc(Nc2cccc(NC(=O)c3cccc(Br)c3)c2)nc1=O | retro_004f727249c7dc1ce625 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0050695d5f4e76f1cbe5:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CN(C)C(=O)N1CCc2c1ccnc2Nc1ncc(C#N)s1 | retro_0050695d5f4e76f1cbe5 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
false | retro_0053aa2b3cd138526d6f:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 0.85 | reference-expert | CON(C)C(=O)c1ccc(Cl)nc1 | retro_0053aa2b3cd138526d6f | 6 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_0054b65e953dab96b3f9:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC1(C)OB(c2ccc(N3CC4(COC4)C3)cc2)OC1(C)C | retro_0054b65e953dab96b3f9 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_00556fe7d031852ce0b3:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)C(Cc1ccccc1)NC(=O)c1ccc(-c2ccc(OCc3cccc(C)c3)cc2)cc1 | retro_00556fe7d031852ce0b3 | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_0059fbf47b1cd7d99e1c:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cc(F)c([N+](=O)[O-])c(Nc2ccc(Br)cc2F)c1F | retro_0059fbf47b1cd7d99e1c | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_005b5d23b7d5143778c4:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Oc1cccc2c(N3CCCC3)cccc12 | retro_005b5d23b7d5143778c4 | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_005d61a244a97a3e697f:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCc1nc2c(F)ccc(OCC(=O)OC)c2c(O)c1Cc1ccc(C#N)cc1 | retro_005d61a244a97a3e697f | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_005e7db6e8c275832910:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)(O)CNC1=NC(=O)S/C1=C\C1CCN(C(=O)OC(C)(C)C)CC1 | retro_005e7db6e8c275832910 | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_005f43b9c9894810e37f:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC1(C)OB(c2ccc(COc3ccc4c(-c5ccccc5C(=O)O)c5ccc(=O)cc-5oc4c3)cc2)OC1(C)C | retro_005f43b9c9894810e37f | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0062bdf59ec972926496:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCCCCCCCOc1ccc(-c2ccc(B(O)O)c(F)c2F)cc1 | retro_0062bdf59ec972926496 | 14 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_006407ec7a14c7029ecd:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1cc2ncoc2cc1Br | retro_006407ec7a14c7029ecd | 6 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_006c3e836d94921ce270:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N#Cc1ncc(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1ccccc1 | retro_006c3e836d94921ce270 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_006dc9d7fb7d5b63a6ec:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C(NCc1ccc(Cl)cc1)c1ccc2cccnc2c1O | retro_006dc9d7fb7d5b63a6ec | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0072d5f0a279391eda2d:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CSc1nc(Nc2ccccc2Cl)c(C=O)c(-c2ccccc2F)n1 | retro_0072d5f0a279391eda2d | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_007535d1149458dec7d1:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(=O)N(C)c1ccc(NCC2CCOCC2)c(NC(=O)C(C)(F)F)c1 | retro_007535d1149458dec7d1 | 20 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_007535d1149458dec7d1:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(=O)N(C)c1ccc(NCC2CCOCC2)c(NC(=O)C(C)(F)F)c1 | retro_007535d1149458dec7d1 | 19 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_0076ccadc0cd7dcaf9ae:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCN(CC)CC(=O)Nc1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2 | retro_0076ccadc0cd7dcaf9ae | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0079c24fe9c052320313:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(O)(CCO[Si](C)(C)C(C)(C)C)c1ccccc1 | retro_0079c24fe9c052320313 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_007bcec7f73bd78552bb:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cccc2c1CC(N(CCCc1c[nH]c3ccc(C#N)cc13)CC1CC1)CO2 | retro_007bcec7f73bd78552bb | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_007c31323cf0666f24da:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](Cc1ccc(C#N)cc1)C(=O)O | retro_007c31323cf0666f24da | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_008191c195973541bf9a:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | C#CCNC(=O)c1c2ccccc2cc2ccccc12 | retro_008191c195973541bf9a | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0083a6782e8e75d123eb:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)CC1CN(CCSc2cc(F)ccc2F)CCC1CCC(=O)c1c(F)cnc2ccc(OC)cc12 | retro_0083a6782e8e75d123eb | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00851a8e045d4bb98a24:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CNc1c(N)cccc1F | retro_00851a8e045d4bb98a24 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00853abaa6769ba1b048:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Nc1cccc(C(=O)N2CCC(O)C2)c1 | retro_00853abaa6769ba1b048 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_008608bb31da03244d9c:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CON=Cc1cc(Br)ccc1SC | retro_008608bb31da03244d9c | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0088a66928bb2f9dc4c8:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1nc2c(c(=O)[nH]1)CCN(C(=O)Oc1ccc(Br)cc1)C2 | retro_0088a66928bb2f9dc4c8 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_008983b41f1e3d993a14:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)c1sccc1S(=O)(=O)N(C)CC(O)c1ccc(F)cc1 | retro_008983b41f1e3d993a14 | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_008db3f0789c15ff8cf4:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N[C@H]1CCCC[C@H]1Nc1cc2c(c(Nc3ccc4cn[nH]c4c3)n1)C(=O)NC2 | retro_008db3f0789c15ff8cf4 | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_008db3f0789c15ff8cf4:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N[C@H]1CCCC[C@H]1Nc1cc2c(c(Nc3ccc4cn[nH]c4c3)n1)C(=O)NC2 | retro_008db3f0789c15ff8cf4 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_0090e6b3c3142683d44a:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)C(=S)Nc1ccc(Br)cc1 | retro_0090e6b3c3142683d44a | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_0090ec8e51433bbad5c6:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1cc2ncnc(Nc3nc4ccc(NC(=O)Nc5ccc(Cl)cc5)cc4s3)c2cc1OC | retro_0090ec8e51433bbad5c6 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_009790197cfb0c059a32:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | FC(F)(F)c1ccn(-c2ccc(CNC3CC3)c(Cl)c2)n1 | retro_009790197cfb0c059a32 | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_0097ef050e11ee6c4a1e:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(=O)O[C@H]1CC[C@@H](c2ncc3c(Cl)nccn32)CC1 | retro_0097ef050e11ee6c4a1e | 14 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_0099d6812934c093dbc4:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCOC(=O)c1cc2c(OC)cccc2[nH]1 | retro_0099d6812934c093dbc4 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_009a4895a21c0c5662a2:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCCCc1nc(=O)c2cc(C(O)c3ccco3)ccc2[nH]1 | retro_009a4895a21c0c5662a2 | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_009ddfcf0c321ecf1117:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N#Cc1cccc(-c2ccc3nccc(SC4(C(=O)O)CCC4)c3c2)c1 | retro_009ddfcf0c321ecf1117 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_009ddfcf0c321ecf1117:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N#Cc1cccc(-c2ccc3nccc(SC4(C(=O)O)CCC4)c3c2)c1 | retro_009ddfcf0c321ecf1117 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_009f0e1e7ac236f25918:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1cc(C(=O)Cl)ccc1C#N | retro_009f0e1e7ac236f25918 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00a7511272e4f7acb362:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1cccc(CCOc2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2Br)c1 | retro_00a7511272e4f7acb362 | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00a7511272e4f7acb362:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1cccc(CCOc2cc(C(=O)NC3(C(=O)O)Cc4ccccc4C3)ccc2Br)c1 | retro_00a7511272e4f7acb362 | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_00a7b6d8c6e43e2ed77f:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CN(C)c1cc(-c2ccccc2)ccc1C=O | retro_00a7b6d8c6e43e2ed77f | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00ac01c020d7d9c59317:reference-expert:a1 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1cccc(OCCN(C)C)c1 | retro_00ac01c020d7d9c59317 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00ac9b238c0fa9ed703d:reference-expert:a1 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1nc(NCc2ccc(C(F)(F)F)cc2)nc(N)c1NC(=O)CC1CCCC1 | retro_00ac9b238c0fa9ed703d | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_00ada469a42aecef88e0:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2c1F)c1ccc(F)cc1 | retro_00ada469a42aecef88e0 | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00ada469a42aecef88e0:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2c1F)c1ccc(F)cc1 | retro_00ada469a42aecef88e0 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00afcbb8034ca4987995:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N#Cc1cc(O[C@@H]2CCc3ccc(Cl)cc32)ccc1F | retro_00afcbb8034ca4987995 | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00b19bb24d16b3074642:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C1NCCN1c1ccccn1 | retro_00b19bb24d16b3074642 | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00b269d1bc772c5c4dbd:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)c1cccc(-c2ccc(OC)c(C=O)c2C)n1 | retro_00b269d1bc772c5c4dbd | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00b29fcb4b5b37820010:reference-expert:a1 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1N | retro_00b29fcb4b5b37820010 | 12 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00b3eddbcee71cc2b21c:reference-expert:a1 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)C1CCC(CCCC(=O)O)CC1 | retro_00b3eddbcee71cc2b21c | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
false | retro_00b5a4545fe39ef7c2c6:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 0.866667 | reference-expert | COCCOc1cc(N)ccc1Br | retro_00b5a4545fe39ef7c2c6 | 8 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00b66ce8f2b614e2f198:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CNc1c(F)c(Nc2cc(C3CC3)[nH]n2)nc(N[C@@H](C)c2ccc(F)cc2)c1C#N | retro_00b66ce8f2b614e2f198 | 18 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_00b66ce8f2b614e2f198:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CNc1c(F)c(Nc2cc(C3CC3)[nH]n2)nc(N[C@@H](C)c2ccc(F)cc2)c1C#N | retro_00b66ce8f2b614e2f198 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_00b6c0a1e522785e18f7:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1cccc(-c2n[nH]cc2-c2ccc(F)c(-c3ccc(O)cc3)c2)n1 | retro_00b6c0a1e522785e18f7 | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00b751b3a084e1a3b9c7:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1ccc(COC(C)=O)nc1 | retro_00b751b3a084e1a3b9c7 | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00beee7c7ce081f13924:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | NCCCN1CCN(c2ccccc2)CC1 | retro_00beee7c7ce081f13924 | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00bef649f7870cf3aeb8:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1nc2c(C(=O)O)cc(N3CCOCC3)nc2n1Cc1cccc2ccccc12 | retro_00bef649f7870cf3aeb8 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00bef649f7870cf3aeb8:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Cc1nc2c(C(=O)O)cc(N3CCOCC3)nc2n1Cc1cccc2ccccc12 | retro_00bef649f7870cf3aeb8 | 18 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_00bffccedf743891e07e:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COC(=O)/C=C/c1cccc(N)c1 | retro_00bffccedf743891e07e | 9 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 4 |
true | retro_00c073fb8c8f503096a7:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CN1CCN(Cc2cc(-c3ccc(S(C)(=O)=O)cc3)nn(CC3CC3)c2=O)CC1 | retro_00c073fb8c8f503096a7 | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_00c1e0590d2fc75d1679:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | COc1nccc(C)c1NC(=O)c1cccnc1NC1CC1 | retro_00c1e0590d2fc75d1679 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00ca1d95275773806564:reference-expert:a1 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC1(C)Cc2c(OCCCBr)cccc2C1N1CCCCC1 | retro_00ca1d95275773806564 | 13 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 6 |
true | retro_00ca1d95275773806564:reference-expert:a0 | single_route | 4 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC1(C)Cc2c(OCCCBr)cccc2C1N1CCCCC1 | retro_00ca1d95275773806564 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00ca747200d2c3c4132b:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CNc1ccn2cc(-c3ccc(C)cc3)nc2c1 | retro_00ca747200d2c3c4132b | 7 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_00cc4bd051e0b77c75d3:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | CC(C)N(CC#CCCC=O)C(C)C | retro_00cc4bd051e0b77c75d3 | 10 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00cc52cfefbee47756a5:reference-expert:a0 | single_route | 3 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | N#Cc1c(-c2ccc(Cl)cc2Cl)cnc(N)c1Cl | retro_00cc52cfefbee47756a5 | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00cf5fa10ab9f3fe2c40:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CC(C4CCOCC4)C3)ccc2n1 | retro_00cf5fa10ab9f3fe2c40 | 20 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_00cf5fa10ab9f3fe2c40:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | Fc1ccc2[nH]ccc2c1-c1nc(N2CCOCC2)c2nc(CN3CC(C4CCOCC4)C3)ccc2n1 | retro_00cf5fa10ab9f3fe2c40 | 20 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 8 |
true | retro_00d016d135dfa8532aae:reference-expert:a0 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C1Nc2cc(CN3CCN(c4ccc(Cl)cc4)CC3)cnc2N2CCCCC12 | retro_00d016d135dfa8532aae | 6 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 3 |
true | retro_00d133aabb4260d047be:reference-expert:a1 | single_route | 2 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=[N+]([O-])c1ccc(OCc2cccc(F)c2)cc1O | retro_00d133aabb4260d047be | 11 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 5 |
true | retro_00d340aeab93b5de97c1:reference-expert:a1 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C1N(Cc2ccccn2)c2ccccc2C12COc1cc(F)c(F)cc12 | retro_00d340aeab93b5de97c1 | 15 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
true | retro_00d340aeab93b5de97c1:reference-expert:a0 | single_route | 5 | [
{
"content": "You are a retrosynthesis planning agent. Use tools, validate cuts, confirm every stock leaf by exact lookup, and finish only with emit_routes. You have at most 16 model turns and must reserve the final turn for emit_routes even if the routes are incomplete. Pass emit_routes.submission as a JSON ob... | reference | 1 | reference-expert | O=C1N(Cc2ccccn2)c2ccccc2C12COc1cc(F)c(F)cc12 | retro_00d340aeab93b5de97c1 | 16 | [{"function": {"description": "Inspect a molecule with RDKit.", "name": "inspect_molecule", "parameters": {"additionalProperties": false, "properties": {"smiles": {"description": "A SMILES string.", "type": "string"}}, "required": ["smiles"], "type": "object"}}, "type": "function"}, {"function": {"description": "Canoni... | full | 7 |
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