prompt
stringlengths 46
212
| first_mask_count
int64 0
16
| first_start_index
int64 0
146
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
18
| generated_smiles
stringlengths 9
184
| original_smiles
stringlengths 9
175
| generated_tokens
stringlengths 0
18
|
|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>Cc1n<mask_1:5>cn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:5> | 1 | 4 | 5 | c | 5 | Cc1nc(Cl)cn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | c(Cl) |
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1<mask_1:1>1CCOCC1<mask_1:1> | 2 | 31 | 1 | NC | 1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1N1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | N |
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]<mask_1:4>OCC1<mask_1:4> | 6 | 30 | 4 | 1NC1CC | 4 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H](O)COCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | (O)C |
<|startoftext|><L>Cc1nccn1CCCC(<mask_1:4>C@H]1CC[C@H]1NC1CCOCC1<mask_1:4> | 5 | 13 | 4 | =O)N[ | 4 | Cc1nccn1CCCC(=O)[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | =O)[ |
<|startoftext|><L>C<mask_1:4>c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:4> | 0 | 1 | 4 | 4 | CC(C)c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | C(C) |
|
<|startoftext|><L>C<mask_1:1>c1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:1> | 0 | 1 | 1 | 1 | CCc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | C |
|
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C<mask_1:2>C1CCOCC1<mask_1:2> | 5 | 27 | 2 | @H]1N | 2 | Cc1nccn1CCCC(=O)N[C@H]1CC[C]1C1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | ]1 |
<|startoftext|><L>Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1<mask_1:4>C1CCOCC1<mask_1:4> | 1 | 31 | 4 | N | 4 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1N(C)C1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | N(C) |
<|startoftext|><L>Cc1nccn1CCCC(=<mask_1:6>)N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:6> | 1 | 14 | 6 | O | 6 | Cc1nccn1CCCC(=O)C(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | O)C(=O |
<|startoftext|><L>Cc1nccn1CCC<mask_1:1>N[C@H]1CC[C@H]1NC1CCOCC1<mask_1:1> | 5 | 11 | 1 | C(=O) | 1 | Cc1nccn1CCCCN[C@H]1CC[C@H]1NC1CCOCC1 | Cc1nccn1CCCC(=O)N[C@H]1CC[C@H]1NC1CCOCC1 | C |
<|startoftext|><L>O=S(=O)(N[C@@H]1CC<mask_1:6>c2ccccc2)C1)C1CC1<mask_1:6> | 5 | 18 | 6 | CN(CC | 6 | O=S(=O)(N[C@@H]1CCN(CCCOc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | N(CCCO |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(<mask_1:6>CCc2ccccc2)C1)C1CC1<mask_1:6> | 0 | 21 | 6 | 6 | O=S(=O)(N[C@@H]1CCCN(C(=S)NCCc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | C(=S)N |
|
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)<mask_1:6>CC1<mask_1:6> | 5 | 32 | 6 | C1)C1 | 6 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CCC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | C1)C1C |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1<mask_1:3>1<mask_1:3> | 2 | 37 | 3 | CC | 3 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CCC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | CCC |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CC<mask_1:5>ccccc2)C1)C1CC1<mask_1:5> | 2 | 23 | 5 | c2 | 5 | O=S(=O)(N[C@@H]1CCCN(CCCSCc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | CSCc2 |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCC<mask_1:1>Cc2ccccc2)C1)C1CC1<mask_1:1> | 3 | 19 | 1 | N(C | 1 | O=S(=O)(N[C@@H]1CCC(Cc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | ( |
<|startoftext|><L>O=S(=O)(N[<mask_1:4>1CCCN(CCc2ccccc2)C1)C1CC1<mask_1:4> | 5 | 10 | 4 | C@@H] | 4 | O=S(=O)(N[C@H]1CCCN(CCc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | C@H] |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1<mask_1:2>)C1CC1<mask_1:2> | 0 | 34 | 2 | 2 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1=O)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | =O |
|
<|startoftext|><L>O=S(=O)(N[C@@H<mask_1:5>(CCc2ccccc2)C1)C1CC1<mask_1:5> | 6 | 14 | 5 | ]1CCCN | 5 | O=S(=O)(N[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | ]1CCN |
<|startoftext|><L>O=S(=O)(N[C@@H]1CCCN(C<mask_1:5>ccccc2)C1)C1CC1<mask_1:5> | 3 | 22 | 5 | Cc2 | 5 | O=S(=O)(N[C@@H]1CCCN(CCCOc2ccccc2)C1)C1CC1 | O=S(=O)(N[C@@H]1CCCN(CCc2ccccc2)C1)C1CC1 | CCOc2 |
<|startoftext|><L>Cc1ccc(B<mask_1:1>c(F)c1F<mask_1:1> | 2 | 8 | 1 | r) | 1 | Cc1ccc(B)c(F)c1F | Cc1ccc(Br)c(F)c1F | ) |
<|startoftext|><L>Cc1ccc(Br)c<mask_1:2>F)c1F<mask_1:2> | 1 | 11 | 2 | ( | 2 | Cc1ccc(Br)c(CF)c1F | Cc1ccc(Br)c(F)c1F | (C |
<|startoftext|><L><mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2> | 1 | 0 | 2 | C | 2 | Clc1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | Cl |
<|startoftext|><L>C<mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2> | 0 | 1 | 2 | 2 | CNCc1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | NC |
|
<|startoftext|><L><mask_1:2>Cc1ccc(Br)c(F)c1F<mask_1:2> | 0 | 0 | 2 | 2 | N#Cc1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | N# |
|
<|startoftext|><L><mask_1:1>1ccc(Br)c(F)c1F<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | c |
<|startoftext|><L><mask_1:2>c1ccc(Br)c(F)c1F<mask_1:2> | 1 | 0 | 2 | C | 2 | COc1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | CO |
<|startoftext|><L>Cc1ccc(Br)c(<mask_1:1>F)c1F<mask_1:1> | 0 | 12 | 1 | 1 | Cc1ccc(Br)c(CF)c1F | Cc1ccc(Br)c(F)c1F | C |
|
<|startoftext|><L><mask_1:1>1ccc(Br)c(F)c1F<mask_1:1> | 2 | 0 | 1 | Cc | 1 | c1ccc(Br)c(F)c1F | Cc1ccc(Br)c(F)c1F | c |
<|startoftext|><L>Cc1ccc(Br<mask_1:1>(F)c1F<mask_1:1> | 2 | 9 | 1 | )c | 1 | Cc1ccc(Br)(F)c1F | Cc1ccc(Br)c(F)c1F | ) |
<|startoftext|><L>COc1ccc(CN<mask_1:8>O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:8> | 3 | 10 | 8 | C(= | 8 | COc1ccc(CNC(=O)C(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | C(=O)C(= |
<|startoftext|><L>COc1cc<mask_1:6>NC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:6> | 3 | 6 | 6 | c(C | 6 | COc1ccc(OCCCNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | c(OCCC |
<|startoftext|><L>COc1cc<mask_1:8>NC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:8> | 3 | 6 | 8 | c(C | 8 | COc1ccc(/C=N/CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | c(/C=N/C |
<|startoftext|><L>COc1ccc(CNC(=O)[C@H]<mask_1:1>Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:1> | 7 | 20 | 1 | (C)SC2= | 1 | COc1ccc(CNC(=O)[C@H]2Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | 2 |
<|startoftext|><L>C<mask_1:5>(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:5> | 6 | 1 | 5 | Oc1ccc | 5 | Cc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | c1ccc |
<|startoftext|><L>COc1ccc(CNC(=O)[C@H]<mask_1:4>)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:4> | 2 | 20 | 4 | (C | 4 | COc1ccc(CNC(=O)[C@H](CSC)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | (CSC |
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3<mask_1:5>NN23)cc1<mask_1:5> | 3 | 43 | 5 | CC= | 5 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=C=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | CC=C= |
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc<mask_1:7>[C@@H]3CC=NN23)cc1<mask_1:7> | 1 | 35 | 7 | 3 | 7 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C(=O)C[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | 3C(=O)C |
<|startoftext|><L>COc1ccc(CNC(=O)[C@H](C)SC2=Nc3cccc<mask_1:8>@H]3CC=NN23)cc1<mask_1:8> | 5 | 34 | 8 | c3[C@ | 8 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3C=C[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | c3C=C[C@ |
<|startoftext|><L>COc1ccc(<mask_1:2>CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1<mask_1:2> | 0 | 8 | 2 | 2 | COc1ccc(OCCNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | COc1ccc(CNC(=O)[C@H](C)SC2=Nc3ccccc3[C@@H]3CC=NN23)cc1 | OC |
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)<mask_1:2>CC(=O)N3)C2<mask_1:2> | 1 | 34 | 2 | C | 2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)OCCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | OC |
<|startoftext|><L>Cn1ncc2c1CCCN(S(<mask_1:5>=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:5> | 4 | 16 | 5 | =O)( | 5 | Cn1ncc2c1CCCN(S(=O)(C=O)c1ccc3c(c1)CCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | =O)(C |
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=<mask_1:3>c1ccc3c(c1)CCC(=O)N3)C2<mask_1:3> | 2 | 21 | 3 | O) | 3 | Cn1ncc2c1CCCN(S(=O)(=O)Cc1ccc3c(c1)CCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | O)C |
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(<mask_1:5>(=O)N3)C2<mask_1:5> | 6 | 31 | 5 | c1)CCC | 5 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | c1)CC |
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C<mask_1:5>C(=O)N3)C2<mask_1:5> | 1 | 35 | 5 | C | 5 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C(=O)NC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | (=O)N |
<|startoftext|><L>Cn1ncc2c<mask_1:2>CN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:2> | 3 | 8 | 2 | 1CC | 2 | Cn1ncc2c1CCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | 1C |
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC<mask_1:2>)N3)C2<mask_1:2> | 4 | 36 | 2 | C(=O | 2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CC(O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | (O |
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)<mask_1:3>c1ccc3c(c1)CCC(=O)N3)C2<mask_1:3> | 0 | 23 | 3 | 3 | Cn1ncc2c1CCCN(S(=O)(=O)CCNc1ccc3c(c1)CCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | CCN |
|
<|startoftext|><L>Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)<mask_1:5>C(=O)N3)C2<mask_1:5> | 2 | 34 | 5 | CC | 5 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)C(=O)C(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | C(=O) |
<|startoftext|><L>Cn1ncc2c1CCC<mask_1:1>N(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2<mask_1:1> | 0 | 12 | 1 | 1 | Cn1ncc2c1CCCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | Cn1ncc2c1CCCN(S(=O)(=O)c1ccc3c(c1)CCC(=O)N3)C2 | C |
|
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H<mask_1:5>H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:5> | 8 | 32 | 5 | ]4C=C[C@ | 5 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | ]4[C@ |
<|startoftext|><L>O=C(O)c1cccc<mask_1:6>)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6> | 7 | 12 | 6 | (N2C(=O | 7 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | (N2C(=O |
<|startoftext|><L>O=C(O<mask_1:6>cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6> | 3 | 5 | 6 | )c1 | 6 | O=C(O)CCOc1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | )CCOc1 |
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C<mask_1:1>[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:1> | 0 | 37 | 1 | 1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=CC[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | C |
|
<|startoftext|><L>O=C(O)c1<mask_1:7>2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:7> | 6 | 8 | 7 | cccc(N | 7 | O=C(O)c1cccc(CN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | cccc(CN |
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45<mask_1:6>[C@@H]3C2=O)c1<mask_1:6> | 1 | 58 | 6 | ) | 6 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H][C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | )[C@H] |
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3<mask_1:5>C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:5> | 1 | 27 | 5 | [ | 5 | O=C(O)c1cccc(N2C(=O)[C@@H]3C=CC[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | C=CC[ |
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C<mask_1:8>H]45)[C@@H]3C2=O)c1<mask_1:8> | 9 | 45 | 8 | @@H]5C[C@ | 8 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | @H]5C[C@ |
<|startoftext|><L>O=C(O)c1cccc(N2C(=O)[C@@H]<mask_1:3>@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:3> | 4 | 26 | 3 | 3[C@ | 3 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | 3[C |
<|startoftext|><L>O=C(O)c1cc<mask_1:6>2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1<mask_1:6> | 4 | 10 | 6 | cc(N | 6 | O=C(O)c1cccc(NCN2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | O=C(O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@@H]3C2=O)c1 | cc(NCN |
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F<mask_1:1>1<mask_1:1> | 3 | 51 | 1 | )cc | 1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | ) |
<|startoftext|><L>O=C(<mask_1:7>1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:7> | 3 | 4 | 7 | CSc | 7 | O=C(C(=O)Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | C(=O)Nc |
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1<mask_1:2>F)cc1<mask_1:2> | 4 | 46 | 2 | ccc( | 2 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1c(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | c( |
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F<mask_1:8>CC2)cs1)Nc1ccc(F)cc1<mask_1:8> | 5 | 30 | 8 | )cc3) | 8 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)c(F)c3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | )c(F)c3) |
<|startoftext|><L>O=C(<mask_1:6>c1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:6> | 2 | 4 | 6 | CS | 6 | O=C(/C=C/Nc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | /C=C/N |
<|startoftext|><L>O=C(CSc1nc(<mask_1:3>CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:3> | 8 | 11 | 3 | CC(=O)N2 | 3 | O=C(CSc1nc(CN2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | CN2 |
<|startoftext|><L>O=C(CSc1nc(<mask_1:4>)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:4> | 5 | 11 | 4 | CC(=O | 4 | O=C(CSc1nc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | C(=O |
<|startoftext|><L>O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc<mask_1:5>cc1<mask_1:5> | 3 | 49 | 5 | (F) | 5 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(C#N)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | (C#N) |
<|startoftext|><L><mask_1:8>1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:8> | 7 | 0 | 8 | O=C(CSc | 8 | O=C(CSCc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSCc |
<|startoftext|><L>O=C(CSc1nc(CC(=O<mask_1:3>(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1<mask_1:3> | 6 | 16 | 3 | )N2CCN | 3 | O=C(CSc1nc(CC(=O)C2(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | O=C(CSc1nc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cs1)Nc1ccc(F)cc1 | )C2 |
<|startoftext|><L>Fc1ccc(C<mask_1:3>(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:3> | 5 | 8 | 3 | N2CCC | 3 | Fc1ccc(C2CN(c3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | 2CN |
<|startoftext|><L>Fc1ccc(C<mask_1:2>C(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:2> | 4 | 8 | 2 | N2CC | 2 | Fc1ccc(C2CC(c3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | 2C |
<|startoftext|><L><mask_1:4>c1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:4> | 1 | 0 | 4 | F | 4 | N#CCc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | N#CC |
<|startoftext|><L>Fc1ccc(CN2CCC(c3nnc(<mask_1:5>c4cnccn4)o3)CC2)cc1<mask_1:5> | 1 | 20 | 5 | - | 5 | Fc1ccc(CN2CCC(c3nnc(CN(C)c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | CN(C) |
<|startoftext|><L>Fc1ccc(CN2CCC(<mask_1:6>(-c4cnccn4)o3)CC2)cc1<mask_1:6> | 5 | 14 | 6 | c3nnc | 6 | Fc1ccc(CN2CCC(Cc3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | Cc3nnc |
<|startoftext|><L>Fc1ccc(CN2CCC(<mask_1:4>(-c4cnccn4)o3)CC2)cc1<mask_1:4> | 5 | 14 | 4 | c3nnc | 5 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | c3nnc |
<|startoftext|><L>Fc1ccc(CN2CCC(c3nnc(-<mask_1:4>cn4)o3)CC2)cc1<mask_1:4> | 5 | 21 | 4 | c4cnc | 4 | Fc1ccc(CN2CCC(c3nnc(-c4cscn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | c4cs |
<|startoftext|><L>Fc1ccc(CN2CCC(c3n<mask_1:5>c4cnccn4)o3)CC2)cc1<mask_1:5> | 4 | 17 | 5 | nc(- | 5 | Fc1ccc(CN2CCC(c3nnc(CSc4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | nc(CS |
<|startoftext|><L>Fc1<mask_1:2>N2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:2> | 5 | 3 | 2 | ccc(C | 2 | Fc1c(N2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | c( |
<|startoftext|><L>Fc1ccc(CN2CCC<mask_1:5>c3nnc(-c4cnccn4)o3)CC2)cc1<mask_1:5> | 1 | 13 | 5 | ( | 5 | Fc1ccc(CN2CCC(O)(Cc3nnc(-c4cnccn4)o3)CC2)cc1 | Fc1ccc(CN2CCC(c3nnc(-c4cnccn4)o3)CC2)cc1 | (O)(C |
<|startoftext|><L>COc1cc<mask_1:6>cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:6> | 4 | 6 | 6 | c(C) | 6 | COc1cc(C#N)ccc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | (C#N)c |
<|startoftext|><L>COc1c<mask_1:6>)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:6> | 4 | 5 | 6 | cc(C | 6 | COc1ccc(C#N)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | cc(C#N |
<|startoftext|><L>COc1ccc(C)cc1NC<mask_1:4>=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:4> | 1 | 15 | 4 | ( | 4 | COc1ccc(C)cc1NCCNC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | CNC( |
<|startoftext|><L>COc1ccc(C)cc1NC(=O)C<mask_1:2>Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:2> | 6 | 20 | 2 | NC(=O) | 2 | COc1ccc(C)cc1NC(=O)CCCCn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | CC |
<|startoftext|><L>COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(<mask_1:1>)n2C<mask_1:1> | 6 | 42 | 1 | C)c(=O | 1 | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | C |
<|startoftext|><L><mask_1:5>c(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:5> | 6 | 0 | 5 | COc1cc | 5 | Cc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | Cc1cc |
<|startoftext|><L>COc1ccc(C)cc1NC(=O)CNC(=O)Cn<mask_1:5>c2c1c(=O)n(C)c(=O)n2C<mask_1:5> | 3 | 28 | 5 | 1cn | 5 | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1[nH]c2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | 1[nH] |
<|startoftext|><L>COc1ccc(C)cc1NC(<mask_1:7>CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:7> | 3 | 16 | 7 | =O) | 7 | COc1ccc(C)cc1NC(=O)CCCCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | =O)CCCC |
<|startoftext|><L>COc1ccc(C)cc1NC(=O<mask_1:2>C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:2> | 3 | 18 | 2 | )CN | 2 | COc1ccc(C)cc1NC(=O)NC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | )N |
<|startoftext|><L>COc1ccc(C)cc<mask_1:5>C(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C<mask_1:5> | 2 | 12 | 5 | 1N | 5 | COc1ccc(C)cc1OCCNC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | COc1ccc(C)cc1NC(=O)CNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C | 1OCCN |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2<mask_1:3>H](C1)C2(F)F<mask_1:3> | 4 | 37 | 3 | [C@@ | 3 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | [C@ |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1<mask_1:4>C@@H]2[C@@H](C1)C2(F)F<mask_1:4> | 5 | 26 | 4 | )C1C[ | 4 | O=S(=O)(NCC1(Cc2ccccc2)CC1)N1[C@@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | )N1[ |
<|startoftext|><L>O=S(=O)(NCC1(<mask_1:7>c2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7> | 1 | 13 | 7 | C | 7 | O=S(=O)(NCC1(O)CCN(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | O)CCN(C |
<|startoftext|><L>O<mask_1:7>S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7> | 1 | 1 | 7 | = | 7 | O=C(O)CCS(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | =C(O)CC |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)<mask_1:5>2(F)F<mask_1:5> | 1 | 47 | 5 | C | 5 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)[C@@]2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | [C@@] |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C<mask_1:1>H]2[C@@H](C1)C2(F)F<mask_1:1> | 2 | 32 | 1 | @@ | 1 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | @ |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccc<mask_1:7>C1)C1C[C@@H]2[C@@H](C1)C2(F)F<mask_1:7> | 5 | 19 | 7 | cc2)C | 7 | O=S(=O)(NCC1(Cc2ccccc2)CCCC1)C1C[C@@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | cc2)CCC |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@<mask_1:7>C@@H](C1)C2(F)F<mask_1:7> | 5 | 33 | 7 | @H]2[ | 7 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2CC[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | @H]2CC[ |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C<mask_1:6>]2[C@@H](C1)C2(F)F<mask_1:6> | 7 | 28 | 6 | 1C[C@@H | 6 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@H]2[C@@H](C1)C2(F)F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | 1C[C@H |
<|startoftext|><L>O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1<mask_1:3>F<mask_1:3> | 6 | 46 | 3 | )C2(F) | 3 | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2F | O=S(=O)(NCC1(Cc2ccccc2)CC1)C1C[C@@H]2[C@@H](C1)C2(F)F | )C2 |
End of preview. Expand
in Dataset Viewer.
README.md exists but content is empty.
Use the Edit dataset card button to edit it.
- Downloads last month
- 0