constraints dict | max_depth int64 | max_routes int64 | min_routes int64 | parent_id string | schema_version string | split string | stock_id string | target_smiles string | task_id string | variant string |
|---|---|---|---|---|---|---|---|---|---|---|
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0000ce400abf8b6c | retro-task-v2 | train | paroutes-archive-leaves | COC(c1ccco1)c1c(Cl)ccc(C(=O)O)c1Cl | retro_0000ce400abf8b6c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0002c9255e31caf0 | retro-task-v2 | train | paroutes-archive-leaves | COc1cc(C)cc(C[C@H]2[C@@H](C(=O)O)CC[C@H]3C(C)(C)CCC[C@]23C)c1 | retro_0002c9255e31caf0 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_00039be3ffe9c303 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)NCC1CS(=O)(=O)c2cc(F)cc(-c3c(Cl)cccc3Cl)c2O1 | retro_00039be3ffe9c303 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0003d0f6755b4c96 | retro-task-v2 | train | paroutes-archive-leaves | O=C(Nc1cc(-c2ccc(Oc3ccccc3)cc2)ccc1C(=O)O)c1ccccc1 | retro_0003d0f6755b4c96 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0003fa9cf1045501 | retro-task-v2 | train | paroutes-archive-leaves | CN(C)c1ccc(-n2nc(C(C)(C)C)cc2C(=O)O)cc1 | retro_0003fa9cf1045501 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0007e30301f9048e | retro-task-v2 | train | paroutes-archive-leaves | CCNc1nccc(-c2cc(C(=O)Nc3ccc(Cl)cc3N)c(=O)[nH]n2)n1 | retro_0007e30301f9048e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000859d1108527e2 | retro-task-v2 | train | paroutes-archive-leaves | CON=C(CCC1CCCC1)c1ccc(Cl)cc1 | retro_000859d1108527e2 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000991caf4987a10 | retro-task-v2 | train | paroutes-archive-leaves | O=c1cccnn1-c1ccc2sc(N3CC[C@@H](N4CCCCC4)C3)nc2c1 | retro_000991caf4987a10 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000a59e64cbf8fd6 | retro-task-v2 | train | paroutes-archive-leaves | CCn1ccc2ccc(-c3ccc(C(F)(F)F)cc3)cc21 | retro_000a59e64cbf8fd6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000ad37f8b0b3d09 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(CCCOCCC1CC2C(=O)CCCC2(C)C1(C)C)O[Si](C)(C)C | retro_000ad37f8b0b3d09 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000ba7821b6c7dbb | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)CCCCCCCCCCCBr | retro_000ba7821b6c7dbb | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000c2339964c1582 | retro-task-v2 | train | paroutes-archive-leaves | CCCCCCCCc1ccc(CCC(CCCOC(C)=O)(CCOC(C)=O)NC(C)=O)cc1 | retro_000c2339964c1582 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_000ce47efefa1bab | retro-task-v2 | train | paroutes-archive-leaves | Cc1cc(CC2CNCCO2)ccc1F | retro_000ce47efefa1bab | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_000ceba4b3469fad | retro-task-v2 | train | paroutes-archive-leaves | CCOc1nc(N2CCNCC2)nc2c1[nH]c1cc(-c3ccncc3)ccc12 | retro_000ceba4b3469fad | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 2 | 5 | 1 | retro_000dbfe921d1ddbd | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)C1CCOc2c1cc(Cl)c(Oc1ccc(C(=O)OC(C)(C)C)cc1N)c2Cl | retro_000dbfe921d1ddbd-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000dbfe921d1ddbd | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)C1CCOc2c1cc(Cl)c(Oc1ccc(C(=O)OC(C)(C)C)cc1N)c2Cl | retro_000dbfe921d1ddbd | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_000ebf229d83c848 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)N1C(=O)[C@H](NC(=O)OC(C)(C)C)COc2cc(Cl)ccc21 | retro_000ebf229d83c848 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00117a6ee4739905 | retro-task-v2 | train | paroutes-archive-leaves | Nc1ccc(F)cc1NC(=O)c1ccc(CNC(=O)C=Cc2ccccc2)cc1 | retro_00117a6ee4739905 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_00129a59e15fb148 | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)c1cc(-c2ccc(OCc3cccc(F)c3)cc2)no1 | retro_00129a59e15fb148 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0012b9aa91e79e32 | retro-task-v2 | train | paroutes-archive-leaves | O=C(NCC1(c2ccc(C(F)(F)F)cc2)CCCCC1)c1cn(-c2ncccn2)nc1Cl | retro_0012b9aa91e79e32 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0013e966bce19056 | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)c1c(NS(=O)(=O)c2ccccc2N[C@@H]2CN3CCC2CC3)ccc2c1OCC1CC21 | retro_0013e966bce19056 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00150f97d4cff0aa | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)c1ccccc1C1CC(=NO)CCO1 | retro_00150f97d4cff0aa | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00154c72eac8e8c1 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)N[C@H]1CCN(C(=O)CN(C(=O)/C=C/c2ccccc2)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1 | retro_00154c72eac8e8c1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0017a0a829f10369 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)N1CCNC(CC(=O)Nc2ccccc2Br)C1 | retro_0017a0a829f10369 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001a52921b397e6e | retro-task-v2 | train | paroutes-archive-leaves | Cc1nc(C#Cc2cnc(N3CCCC3C)nc2)cs1 | retro_001a52921b397e6e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001b52587a4cb145 | retro-task-v2 | train | paroutes-archive-leaves | CCCCCN1CCN(c2ccc(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)nn2)C1=O | retro_001b52587a4cb145 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001b964de9ab77bf | retro-task-v2 | train | paroutes-archive-leaves | N#Cc1ccc(Br)cc1C#N | retro_001b964de9ab77bf | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001c94cb2eb2bbcd | retro-task-v2 | train | paroutes-archive-leaves | O=C(O)C/C=C/CC(=O)NCCc1ccccc1 | retro_001c94cb2eb2bbcd | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001db86dc1a14abe | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)N1CCN(c2cc(-c3ccccc3)c(C#N)nn2)CC1 | retro_001db86dc1a14abe | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001dcfab1e79b3c3 | retro-task-v2 | train | paroutes-archive-leaves | CN1CCC(Cn2cc(/C=C/C(=O)O)cn2)CC1 | retro_001dcfab1e79b3c3 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001e0abb335cd094 | retro-task-v2 | train | paroutes-archive-leaves | O=P(O)(O)Cc1c(F)cccc1F | retro_001e0abb335cd094 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001e616cff73f5b1 | retro-task-v2 | train | paroutes-archive-leaves | CNC(=O)C1CCN(c2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)C1=O | retro_001e616cff73f5b1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001eec39729f62b6 | retro-task-v2 | train | paroutes-archive-leaves | CCNc1ccc2c(c1)oc1c(-c3ccc(OC)cc3)c(C(=O)O)c(=O)n(Cc3ccccc3OC)c12 | retro_001eec39729f62b6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 2 | 5 | 1 | retro_001f8ae7552a7636 | retro-task-v2 | train | paroutes-archive-leaves | O=C(NCc1ccc(Cl)cc1)c1cc(Br)c2cccnc2c1O | retro_001f8ae7552a7636-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_001f8ae7552a7636 | retro-task-v2 | train | paroutes-archive-leaves | O=C(NCc1ccc(Cl)cc1)c1cc(Br)c2cccnc2c1O | retro_001f8ae7552a7636 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002033ed08df4b6d | retro-task-v2 | train | paroutes-archive-leaves | c1ncc(-c2nc(-c3ccnnc3)no2)cn1 | retro_002033ed08df4b6d | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002089927088046c | retro-task-v2 | train | paroutes-archive-leaves | CCCCCCOc1ccc(-c2nnc(-c3ccc(CCCCCC)cc3)s2)cc1F | retro_002089927088046c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 2 | 5 | 1 | retro_00221330d4c14229 | retro-task-v2 | train | paroutes-archive-leaves | CCc1nc(C)c(/C=C(\NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2Cl)C(=O)O)s1 | retro_00221330d4c14229-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00221330d4c14229 | retro-task-v2 | train | paroutes-archive-leaves | CCc1nc(C)c(/C=C(\NC(=O)c2ccc(C(=O)NCc3cccc(O)c3)cc2Cl)C(=O)O)s1 | retro_00221330d4c14229 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0022c9e0cbbdbcdb | retro-task-v2 | train | paroutes-archive-leaves | Cc1cn(CCCn2c(=S)[nH]c3sc4c(c3c2=O)CCCC4)cn1 | retro_0022c9e0cbbdbcdb | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00231091ddf84de0 | retro-task-v2 | train | paroutes-archive-leaves | COc1cc(C#CC(C)(C)C)ccc1C(=O)O | retro_00231091ddf84de0 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_00238e63bb7a41d1 | retro-task-v2 | train | paroutes-archive-leaves | CC[C@H]1CCCN1C(=O)CN1CCN(c2cccc3c2cnn3-c2ccccc2F)C1=O | retro_00238e63bb7a41d1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0025099cae3e880a | retro-task-v2 | train | paroutes-archive-leaves | CCCN(CCC)c1cc(CC)c(=O)n2c(-c3c(C)cc(C)cc3C)cccc12 | retro_0025099cae3e880a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0025ef6dfcbcdfbf | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(N(CCc2ccc(C)nc2)N=C2CCN(C)CC2)cc1 | retro_0025ef6dfcbcdfbf | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002749032824a559 | retro-task-v2 | train | paroutes-archive-leaves | O=C(CCCCCCCCO)OCc1ccccc1 | retro_002749032824a559 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_0029f107f85fe003 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(N2CCN(CCCc3cc(-c4ccc(Cl)cc4)n(C(C)(C)C)n3)CC2)cc1C | retro_0029f107f85fe003 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002a199b64e4732a | retro-task-v2 | train | paroutes-archive-leaves | CC(C)C(C#N)(CCCN1CCN(CCOc2ccc(C#N)cc2)CC1)c1cc(C#N)cs1 | retro_002a199b64e4732a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002b0fae5dca52ae | retro-task-v2 | train | paroutes-archive-leaves | COCCCn1c(N2CCC(NC(=O)OC(C)(C)C)CC2)nc(Cl)cc1=O | retro_002b0fae5dca52ae | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_002c29604f63af39 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)Cn1ccc2ccc(NC(=O)CCC#Cc3cccc(OC(F)(F)F)c3)cc21 | retro_002c29604f63af39 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002d7de81b477e63 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)n1c(NC(=O)c2ccc3nc4n(c3c2)C(C)(C)CCNC4=O)nc2ccccc21 | retro_002d7de81b477e63 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_002fbde6fcb5491c | retro-task-v2 | train | paroutes-archive-leaves | COc1cc([C@@H](C)N[C@H]2CC[C@@H](c3ccc(CC(=O)N4CCCNCC4)cc3)C2)ccc1F | retro_002fbde6fcb5491c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_002fc15ec29c006f | retro-task-v2 | train | paroutes-archive-leaves | Cc1ccc(S(=O)(=O)NC(=O)OCCc2ccc(-n3cnc(-c4ccccc4)c3)cc2)cc1 | retro_002fc15ec29c006f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_002fe54896da6a25 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)CNC(=O)c1ccc(SCCCl)c(N)c1 | retro_002fe54896da6a25 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003009612dc9e6f8 | retro-task-v2 | train | paroutes-archive-leaves | CC1(C)c2cc(Oc3ncccn3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21 | retro_003009612dc9e6f8 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0031117d2600d59f | retro-task-v2 | train | paroutes-archive-leaves | OCc1ccc2[nH]cc(CCN3CCN(c4nccc5[nH]ccc45)CC3)c2c1 | retro_0031117d2600d59f | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00313a571d9630f0 | retro-task-v2 | train | paroutes-archive-leaves | COCCS(=O)(=O)N1CCN(c2ncc(-c3cccc(CO[Si](C)(C)C(C)(C)C)c3F)cn2)CC1 | retro_00313a571d9630f0 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00320fd2a7c49f6b | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)O[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)CS[C@H]1Oc1cccc(-c2cccnc2)c1 | retro_00320fd2a7c49f6b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 3 | 5 | 1 | retro_003301a86fa98907 | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)N1CCC(n2cc(-c3ccc4ncc(Cc5cc6cccnc6cc5F)n4n3)cn2)CC1 | retro_003301a86fa98907-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_003301a86fa98907 | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)N1CCC(n2cc(-c3ccc4ncc(Cc5cc6cccnc6cc5F)n4n3)cn2)CC1 | retro_003301a86fa98907 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00337b2e135c397a | retro-task-v2 | train | paroutes-archive-leaves | CC1(C)CCN(S(=O)(=O)c2cc(-c3cnc(C(F)(F)F)cc3C#N)c(Cl)cc2OCCCC(=O)O)c2ccccc21 | retro_00337b2e135c397a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0033c19b1d417698 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(O)c1cc(F)c(-c2cc(C(N)=O)c(Nc3ccc4nc(-c5ccco5)cn4n3)s2)c(F)c1 | retro_0033c19b1d417698 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_0033c4a3bc9b1ec7 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)C(N)Cc1cccc(OCc2ccccc2)c1 | retro_0033c4a3bc9b1ec7 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_0033e670195fc824 | retro-task-v2 | train | paroutes-archive-leaves | O=CC1CCCCCCCCCCCCCC1 | retro_0033e670195fc824 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 2 | 5 | 1 | retro_00345f4cdd9562b3 | retro-task-v2 | train | paroutes-archive-leaves | CCCOc1ccc(Br)cc1CN(CC)c1ccc(-c2nnn[nH]2)nn1 | retro_00345f4cdd9562b3-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00345f4cdd9562b3 | retro-task-v2 | train | paroutes-archive-leaves | CCCOc1ccc(Br)cc1CN(CC)c1ccc(-c2nnn[nH]2)nn1 | retro_00345f4cdd9562b3 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0034e6bf20c2eb4b | retro-task-v2 | train | paroutes-archive-leaves | S=C1Cn2c(c(Cl)c3ccccc32)-c2ccccc2N1 | retro_0034e6bf20c2eb4b | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0035ffe47bc1f6db | retro-task-v2 | train | paroutes-archive-leaves | CN(C)C(=S)Oc1ccc(C(F)(F)F)cc1C(=O)c1ccc(C#N)cc1 | retro_0035ffe47bc1f6db | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00364227c088315a | retro-task-v2 | train | paroutes-archive-leaves | CC(Nc1cc(N2CCN(C(=O)OC(C)(C)C)CC2)ccc1C(=O)C(F)(F)F)c1cc(Cl)cc(Cl)c1 | retro_00364227c088315a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003757392cb679f1 | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccc(Cl)c3)c2)CC1 | retro_003757392cb679f1 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0037ecd2c17de7ec | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)N1c2ccccc2-c2ccccc2C1CC(=O)N1CCOCC1 | retro_0037ecd2c17de7ec | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003aa139b542a7ce | retro-task-v2 | train | paroutes-archive-leaves | CCCCCOC(=O)COc1ncccc1Oc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl | retro_003aa139b542a7ce | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003b11829d902302 | retro-task-v2 | train | paroutes-archive-leaves | CCOC(=O)C(C)(C)Oc1ccc(N(C)c2cc3ccc(Cl)cc3c(Cl)n2)cc1 | retro_003b11829d902302 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_003dba9ee1b8683e | retro-task-v2 | train | paroutes-archive-leaves | CCC(O)[C@@H](CC)Nc1nc(NCc2cccnc2)c2ncn(C(C)C)c2n1 | retro_003dba9ee1b8683e | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003dce949d5f9f15 | retro-task-v2 | train | paroutes-archive-leaves | CC(=O)OCC(C)CC1CCCCC1 | retro_003dce949d5f9f15 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003e042f0c5995e4 | retro-task-v2 | train | paroutes-archive-leaves | Cc1ncccc1Oc1cc(Sc2ccccn2)cnc1Nc1nc([C@@H](O)CO)ns1 | retro_003e042f0c5995e4 | standard |
{
"excluded_stock": [
"N#Cc1ccc(F)cc1"
],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_003e7b1b5b128cb6 | retro-task-v2 | train | paroutes-archive-leaves | NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1 | retro_003e7b1b5b128cb6-restricted_stock | restricted_stock |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_003e7b1b5b128cb6 | retro-task-v2 | train | paroutes-archive-leaves | NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cc1 | retro_003e7b1b5b128cb6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_003ef2e77d395f3d | retro-task-v2 | train | paroutes-archive-leaves | CCCCN(CC1OCCO1)C(=O)CCl | retro_003ef2e77d395f3d | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_003f7e7be2c3a907 | retro-task-v2 | train | paroutes-archive-leaves | Clc1cc(I)c(Cc2ccccc2)nc1N1CCC2(C1)OCCO2 | retro_003f7e7be2c3a907 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0041d1b883775671 | retro-task-v2 | train | paroutes-archive-leaves | O=C(Nc1cccc(Cl)c1)c1ccc2cc3n(c2c1)CCCNC3=O | retro_0041d1b883775671 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0043798bb0f48414 | retro-task-v2 | train | paroutes-archive-leaves | C[Si](C)(C)C#CCCCCBr | retro_0043798bb0f48414 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_0043a89ecd31f3f8 | retro-task-v2 | train | paroutes-archive-leaves | COC(=O)c1ccc([C@H](C)NC(=O)[C@H]2CCCN2Cc2cccc(C(F)(F)F)c2)cc1 | retro_0043a89ecd31f3f8 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0046071fcbcbcf24 | retro-task-v2 | train | paroutes-archive-leaves | CN(C(=O)n1cnc(-c2cccc(C(N)=O)c2)c1)C1CCN(c2ccc(O)cc2)CC1 | retro_0046071fcbcbcf24 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0046da1009979651 | retro-task-v2 | train | paroutes-archive-leaves | O=C(Nc1ccc(C#Cc2cn(CCO)nc2-c2cc(Cl)ccc2O)cc1)[C@H]1CCCCN1 | retro_0046da1009979651 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_00470bc6add5342a | retro-task-v2 | train | paroutes-archive-leaves | Cn1cnc(Nc2nc(NC(c3ccc(F)cc3)c3nccn3C)nc(N3CCOCC3)n2)c1 | retro_00470bc6add5342a | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0047bc5a5835c6cf | retro-task-v2 | train | paroutes-archive-leaves | CCNCCOc1ccccc1C(C)(C)Nc1nccn(-c2cc(C(=O)NC3CC3)cc(F)c2C)c1=O | retro_0047bc5a5835c6cf | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_004bd96e93857a96 | retro-task-v2 | train | paroutes-archive-leaves | COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)c1ccc(C3CCN(C)CC3)c3ccccc13)CC2 | retro_004bd96e93857a96 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_004d630e39a7ab41 | retro-task-v2 | train | paroutes-archive-leaves | NCCCOc1cccc(N)c1 | retro_004d630e39a7ab41 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_004ddbe4807ce3ae | retro-task-v2 | train | paroutes-archive-leaves | CCCCN1CC(=O)N2[C@@H](c3ccc(NS(C)(=O)=O)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O | retro_004ddbe4807ce3ae | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_004f702859be30eb | retro-task-v2 | train | paroutes-archive-leaves | Cc1nc(CCc2c(-c3ccc(F)cn3)noc2C)sc1C(=O)NCCO | retro_004f702859be30eb | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 5 | 5 | 1 | retro_005081b469295373 | retro-task-v2 | train | paroutes-archive-leaves | O=C(N[C@H]1CCN(CCc2ccccc2F)C1)C12CC3CC(CC(C3)C1)C2 | retro_005081b469295373 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0051140124f33214 | retro-task-v2 | train | paroutes-archive-leaves | O=c1n(CCc2c(F)cccc2F)nc2ccc(-c3ccc(OC(F)(F)F)cc3)cn12 | retro_0051140124f33214 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 2 | retro_0051b5753fb9136c | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)[Si](C)(C)Oc1ccccc1CBr | retro_0051b5753fb9136c-diversity | diversity |
{
"excluded_stock": [
"O=C1CCC(=O)N1Br"
],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0051b5753fb9136c | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)[Si](C)(C)Oc1ccccc1CBr | retro_0051b5753fb9136c-restricted_stock | restricted_stock |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0051b5753fb9136c | retro-task-v2 | train | paroutes-archive-leaves | CC(C)(C)[Si](C)(C)Oc1ccccc1CBr | retro_0051b5753fb9136c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0052b676753e0fb6 | retro-task-v2 | train | paroutes-archive-leaves | COc1ccc2c(C(=O)C(=O)Nc3ccnc(OC)c3)c(C)n(Cc3ccc(Cl)cc3)c2c1 | retro_0052b676753e0fb6 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0053c90c2eb2a2d2 | retro-task-v2 | train | paroutes-archive-leaves | C[C@@H](NC1CC(C(=O)NC(C)(C)C)C1)c1cccc2ccccc12 | retro_0053c90c2eb2a2d2 | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 2 | 5 | 1 | retro_0054ca02480d0c9c | retro-task-v2 | train | paroutes-archive-leaves | N=C(N)Nc1cc(O)cc(C(F)(F)F)c1 | retro_0054ca02480d0c9c-max_depth | max_depth |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0054ca02480d0c9c | retro-task-v2 | train | paroutes-archive-leaves | N=C(N)Nc1cc(O)cc(C(F)(F)F)c1 | retro_0054ca02480d0c9c | standard |
{
"excluded_stock": [],
"forbidden_classes": []
} | 4 | 5 | 1 | retro_0054eb3a6119ee48 | retro-task-v2 | train | paroutes-archive-leaves | CCCCS(=O)(=O)N1CCc2nc(C(=O)NO)ccc2C1 | retro_0054eb3a6119ee48 | standard |
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