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stringlengths 49
261
| first_mask_count
int64 0
16
| first_start_index
int64 0
198
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
29
| generated_smiles
stringlengths 12
233
| original_smiles
stringlengths 12
223
| generated_tokens
stringlengths 0
29
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CSc1ccc(NS(=O)(=O<mask_1:6>c2ccc(OC(F)(F)F)cc2)cc1<mask_1:6> | 1 | 17 | 6 | ) | 6 | CSc1ccc(NS(=O)(=O)/N=C/c2ccc(OC(F)(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | )/N=C/ |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc<mask_1:4>(F)F)cc2)cc1<mask_1:4> | 6 | 23 | 4 | (OC(F) | 4 | CSc1ccc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | (OCC |
<|startoftext|><L>CS<mask_1:2>1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1<mask_1:2> | 1 | 2 | 2 | c | 2 | CSCc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | Cc |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc(OC(F<mask_1:6>F)F)cc2)cc1<mask_1:6> | 2 | 28 | 6 | )( | 6 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)C(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | )(F)C( |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc(OC(F)<mask_1:5>)cc2)cc1<mask_1:5> | 4 | 29 | 5 | (F)F | 5 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)Cl)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | (F)Cl |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2<mask_1:4>c1<mask_1:4> | 2 | 37 | 4 | )c | 4 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Cl)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | Cl)c |
<|startoftext|><L>CSc1ccc(NS(<mask_1:3>)c2ccc(OC(F)(F)F)cc2)cc1<mask_1:3> | 6 | 11 | 3 | =O)(=O | 2 | CSc1ccc(NS(=O)c2ccc(OC(F)(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | =O |
<|startoftext|><L>CSc1c<mask_1:4>NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1<mask_1:4> | 3 | 5 | 4 | cc( | 4 | CSc1ccc(CNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | cc(C |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c<mask_1:5>1<mask_1:5> | 1 | 39 | 5 | c | 5 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(Br)c1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | (Br)c |
<|startoftext|><L>CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c<mask_1:4>1<mask_1:4> | 1 | 39 | 4 | c | 4 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(C)c1 | CSc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1 | (C)c |
<|startoftext|><L>CCNC(=O)c1ccc(CNS(=O)(=O<mask_1:3>c2ccc(NC(C)=O)cc2)cc1<mask_1:3> | 1 | 24 | 3 | ) | 3 | CCNC(=O)c1ccc(CNS(=O)(=O)CCc2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | )CC |
<|startoftext|><L>CCNC(=O)c1ccc<mask_1:3>CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1<mask_1:3> | 1 | 13 | 3 | ( | 3 | CCNC(=O)c1ccc(OCCNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | (OC |
<|startoftext|><L>CCN<mask_1:1>c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1<mask_1:1> | 5 | 3 | 1 | C(=O) | 1 | CCNCc1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | C |
<|startoftext|><L>CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc<mask_1:5>cc1<mask_1:5> | 2 | 41 | 5 | 2) | 5 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2C#N)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | 2C#N) |
<|startoftext|><L>CCNC<mask_1:6>(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1<mask_1:6> | 0 | 4 | 6 | 6 | CCNC(=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | (=O)NC |
|
<|startoftext|><L>CCNC(=O)c1cc<mask_1:2>S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1<mask_1:2> | 4 | 12 | 2 | c(CN | 2 | CCNC(=O)c1ccc(S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | c( |
<|startoftext|><L>CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(<mask_1:2>)cc2)cc1<mask_1:2> | 4 | 34 | 2 | C)=O | 2 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C))cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | C) |
<|startoftext|><L>CCN<mask_1:5>)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1<mask_1:5> | 4 | 3 | 5 | C(=O | 5 | CCN(CC#N)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | (CC#N |
<|startoftext|><L>CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(<mask_1:4>C(C)=O)cc2)cc1<mask_1:4> | 1 | 31 | 4 | N | 4 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(OCCNC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | OCCN |
<|startoftext|><L>CCNC(=O)c1ccc(CNS<mask_1:2>O)c2ccc(NC(C)=O)cc2)cc1<mask_1:2> | 6 | 17 | 2 | (=O)(= | 2 | CCNC(=O)c1ccc(CNS(=O)c2ccc(NC(C)=O)cc2)cc1 | CCNC(=O)c1ccc(CNS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1 | (= |
<|startoftext|><L>COc1cc(<mask_1:3>c2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:3> | 6 | 7 | 3 | CN(C)C | 3 | COc1cc(CNCc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | CNC |
<|startoftext|><L>COc1cc(CN(C)Cc2nnc(S<mask_1:1>3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:1> | 2 | 20 | 1 | Cc | 1 | COc1cc(CN(C)Cc2nnc(Sc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | c |
<|startoftext|><L>COc1cc(CN(C<mask_1:2>Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:2> | 1 | 11 | 2 | ) | 2 | COc1cc(CN(C)CCc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | )C |
<|startoftext|><L>COc1c<mask_1:6>C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:6> | 5 | 5 | 6 | c(CN( | 6 | COc1cc(CCN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | c(CCN( |
<|startoftext|><L>COc1cc(CN(C)Cc2nnc(SCc3<mask_1:2>3)n2C[C@@H]2CCCO2)ccc1O<mask_1:2> | 5 | 23 | 2 | ccccn | 2 | COc1cc(CN(C)Cc2nnc(SCc3cs3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | cs |
<|startoftext|><L>COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C<mask_1:2>CCCO2)ccc1O<mask_1:2> | 5 | 35 | 2 | @@H]2 | 2 | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | ]2 |
<|startoftext|><L>COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2<mask_1:7>2)ccc1O<mask_1:7> | 4 | 40 | 7 | CCCO | 7 | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2C=CCC=C2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | C=CCC=C |
<|startoftext|><L>COc1cc(<mask_1:7>)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:7> | 4 | 7 | 7 | CN(C | 7 | COc1cc(CCNC(=O)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | CCNC(=O |
<|startoftext|><L>COc1cc(CN(C)Cc2nnc(SCc3ccc<mask_1:6>3)n2C[C@@H]2CCCO2)ccc1O<mask_1:6> | 2 | 26 | 6 | cn | 6 | COc1cc(CN(C)Cc2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | (Cl)cc |
<|startoftext|><L>COc1cc(C<mask_1:4>)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O<mask_1:4> | 3 | 8 | 4 | N(C | 4 | COc1cc(CCN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | COc1cc(CN(C)Cc2nnc(SCc3ccccn3)n2C[C@@H]2CCCO2)ccc1O | CN(C |
<|startoftext|><L>C[C@@H]1[C@H](N<mask_1:5>COCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:5> | 2 | 15 | 5 | 2C | 5 | C[C@@H]1[C@H](NCCN2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | CCN2C |
<|startoftext|><L>C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(<mask_1:3>cncc2)s1<mask_1:3> | 4 | 38 | 3 | -c2c | 3 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-n2cncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | -n2 |
<|startoftext|><L>C[C@@H]<mask_1:4>N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:4> | 7 | 7 | 4 | 1[C@H]( | 4 | C[C@@H]1CN(N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | 1CN( |
<|startoftext|><L>C[C@@H]1[C@H](N2CCOCC2)<mask_1:6>CN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:6> | 1 | 23 | 6 | C | 6 | C[C@@H]1[C@H](N2CCOCC2)CC(=O)CN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | CC(=O) |
<|startoftext|><L>C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2c<mask_1:4>1<mask_1:4> | 7 | 42 | 4 | cncc2)s | 4 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2cs2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | s2)s |
<|startoftext|><L>C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c<mask_1:3>cc2)s1<mask_1:3> | 4 | 40 | 3 | 2ccn | 3 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2sccc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | 2sc |
<|startoftext|><L>C[C@@H]1[C@H](N2CCOC<mask_1:3>1C(=O)c1cnc(-c2ccncc2)s1<mask_1:3> | 6 | 20 | 3 | C2)CCN | 3 | C[C@@H]1[C@H](N2CCOC2)N1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | 2)N |
<|startoftext|><L>C[C@@H]1<mask_1:6>C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:6> | 1 | 8 | 6 | [ | 6 | C[C@@H]1CN(C)[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | CN(C)[ |
<|startoftext|><L>C[C@@H]1[C@H]<mask_1:5>C2)CCN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:5> | 7 | 13 | 5 | (N2CCOC | 5 | C[C@@H]1[C@H](C2CCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | (C2CC |
<|startoftext|><L>C[C@@H]<mask_1:3>C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1<mask_1:3> | 2 | 7 | 3 | 1[ | 3 | C[C@@H]1C[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)c1cnc(-c2ccncc2)s1 | 1C[ |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2<mask_1:2>cccc3c2)CCN1C[C@H](C)O<mask_1:2> | 5 | 21 | 2 | ccc3c | 2 | CC[C@@H]1CN(C(=O)CCc2n3cccc3c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | n3 |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)<mask_1:5>N1C[C@H](C)O<mask_1:5> | 2 | 34 | 5 | CC | 5 | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)C(=O)N1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | C(=O) |
<|startoftext|><L>C<mask_1:4>[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O<mask_1:4> | 1 | 1 | 4 | C | 4 | CC(C)[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | C(C) |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2<mask_1:7>C[C@H](C)O<mask_1:7> | 5 | 33 | 7 | )CCN1 | 7 | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)[C@H]1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | )[C@H]1 |
<|startoftext|><L>CC[C@@H]1<mask_1:5>O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O<mask_1:5> | 6 | 9 | 5 | CN(C(= | 5 | CC[C@@H]1CN(C(O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | CN(C( |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H<mask_1:7>(C)O<mask_1:7> | 1 | 43 | 7 | ] | 7 | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)COC(C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | ](C)COC |
<|startoftext|><L>CC[C@@H]1CN(<mask_1:7>O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O<mask_1:7> | 3 | 12 | 7 | C(= | 7 | CC[C@@H]1CN(S(=O)(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | S(=O)(= |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc<mask_1:4>c2)CCN1C[C@H](C)O<mask_1:4> | 7 | 24 | 4 | 3ccccc3 | 4 | CC[C@@H]1CN(C(=O)CCc2cccc(O)c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | c(O) |
<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2<mask_1:5>)CCN1C[C@H](C)O<mask_1:5> | 0 | 33 | 5 | 5 | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)C(=O)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | )C(=O |
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<|startoftext|><L>CC[C@@H]1CN(C(=O)CCc2ccc3c<mask_1:1>3c2)CCN1C[C@H](C)O<mask_1:1> | 4 | 26 | 1 | cccc | 1 | CC[C@@H]1CN(C(=O)CCc2ccc3cn3c2)CCN1C[C@H](C)O | CC[C@@H]1CN(C(=O)CCc2ccc3ccccc3c2)CCN1C[C@H](C)O | n |
<|startoftext|><L>C=CC(=O)N[C@H]<mask_1:1>[C@@H](c2ccncc2)C1<mask_1:1> | 4 | 14 | 1 | 1CCO | 1 | C=CC(=O)N[C@H]1[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | 1 |
<|startoftext|><L>C=CC(=O)N[C@H]1<mask_1:3>O[C@@H](c2ccncc2)C1<mask_1:3> | 2 | 15 | 3 | CC | 3 | C=CC(=O)N[C@H]1CCCO[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | CCC |
<|startoftext|><L>C=CC(=O)N[C@H]<mask_1:2>O[C@@H](c2ccncc2)C1<mask_1:2> | 3 | 14 | 2 | 1CC | 2 | C=CC(=O)N[C@H]1CO[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | 1C |
<|startoftext|><L>C=CC(=O)N[C@H]1CCO[<mask_1:4>(c2ccncc2)C1<mask_1:4> | 5 | 19 | 4 | C@@H] | 4 | C=CC(=O)N[C@H]1CCO[C@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | C@H] |
<|startoftext|><L>C=CC(=O)N<mask_1:5>C@H]1CCO[C@@H](c2ccncc2)C1<mask_1:5> | 1 | 9 | 5 | [ | 5 | C=CC(=O)N(C)C[C@H]1CCO[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | (C)C[ |
<|startoftext|><L>C=CC(=O)N[C<mask_1:3>CCO[C@@H](c2ccncc2)C1<mask_1:3> | 4 | 11 | 3 | @H]1 | 3 | C=CC(=O)N[CH]1CCO[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | H]1 |
<|startoftext|><L>C=CC(=O)N[C@H]1CCO[C@@H](c2cc<mask_1:4>C1<mask_1:4> | 5 | 29 | 4 | ncc2) | 4 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccco2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | co2) |
<|startoftext|><L>C=CC(=O)N[C@H]1CCO[C@@H]<mask_1:3>c2ccncc2)C1<mask_1:3> | 1 | 24 | 3 | ( | 3 | C=CC(=O)N[C@H]1CCO[C@@H](CCc2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | (CC |
<|startoftext|><L>C=CC(=O)N[C@H]1C<mask_1:4>C@@H](c2ccncc2)C1<mask_1:4> | 3 | 16 | 4 | CO[ | 4 | C=CC(=O)N[C@H]1CCCC[C@@H](c2ccncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | CCC[ |
<|startoftext|><L>C=CC(=O)N[C@H]1CCO[C@@H](c2cc<mask_1:4>ncc2)C1<mask_1:4> | 0 | 29 | 4 | 4 | C=CC(=O)N[C@H]1CCO[C@@H](c2cc(NC)ncc2)C1 | C=CC(=O)N[C@H]1CCO[C@@H](c2ccncc2)C1 | (NC) |
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<|startoftext|><L><mask_1:3>C[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC<mask_1:3> | 1 | 0 | 3 | C | 3 | CSCC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | CSC |
<|startoftext|><L>CC[C@H](C)N<mask_1:4>=O)(=O)c1ccc(C)cc1OC<mask_1:4> | 2 | 11 | 4 | S( | 4 | CC[C@H](C)NCCS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | CCS( |
<|startoftext|><L>CC[C@H](C)NS(=O)(=O)c1<mask_1:1>c(C)cc1OC<mask_1:1> | 2 | 22 | 1 | cc | 1 | CC[C@H](C)NS(=O)(=O)c1sc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | s |
<|startoftext|><L>CC[C@H](C)NS(=O)(=O)c1<mask_1:4>cc(C)cc1OC<mask_1:4> | 1 | 22 | 4 | c | 4 | CC[C@H](C)NS(=O)(=O)c1c(C)cc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | c(C) |
<|startoftext|><L>CC[C@H](C<mask_1:4>S(=O)(=O)c1ccc(C)cc1OC<mask_1:4> | 2 | 9 | 4 | )N | 4 | CC[C@H](CO)CNS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | O)CN |
<|startoftext|><L>CC[C@H](C)NS(=<mask_1:3>O)c1ccc(C)cc1OC<mask_1:3> | 4 | 14 | 3 | O)(= | 4 | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | O)(= |
<|startoftext|><L>CC[C@H](C)NS(<mask_1:1>)(=O)c1ccc(C)cc1OC<mask_1:1> | 2 | 13 | 1 | =O | 1 | CC[C@H](C)NS(C)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | C |
<|startoftext|><L>CC[C@H](C)NS(=O)(=O)c1ccc(<mask_1:4>c1OC<mask_1:4> | 3 | 26 | 4 | C)c | 4 | CC[C@H](C)NS(=O)(=O)c1ccc(Br)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | Br)c |
<|startoftext|><L>CC[C@H]<mask_1:4>C)NS(=O)(=O)c1ccc(C)cc1OC<mask_1:4> | 1 | 7 | 4 | ( | 4 | CC[C@H](CCSC)NS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | (CCS |
<|startoftext|><L>CC[C@H](<mask_1:4>C)NS(=O)(=O)c1ccc(C)cc1OC<mask_1:4> | 0 | 8 | 4 | 4 | CC[C@H](C)C(C)NS(=O)(=O)c1ccc(C)cc1OC | CC[C@H](C)NS(=O)(=O)c1ccc(C)cc1OC | C)C( |
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<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1c<mask_1:6>c(OCCN2CCN(C)CC2)cc1<mask_1:6> | 1 | 30 | 6 | c | 6 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1cc(C#N)c(OCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | c(C#N) |
<|startoftext|><L>C[C@@H](<mask_1:4>cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1<mask_1:4> | 2 | 8 | 4 | c1 | 4 | C[C@@H](CCc1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | CCc1 |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1c<mask_1:4>2CCN(C)CC2)cc1<mask_1:4> | 7 | 30 | 4 | cc(OCCN | 4 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(N2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | cc(N |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CC<mask_1:5>CC2)cc1<mask_1:5> | 4 | 40 | 5 | N(C) | 5 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CCC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | N(C)C |
<|startoftext|><L>C<mask_1:7>@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1<mask_1:7> | 2 | 1 | 7 | [C | 7 | CC(C)C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | C(C)C[C |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=<mask_1:6>ccc(OCCN2CCN(C)CC2)cc1<mask_1:6> | 5 | 24 | 6 | O)Nc1 | 6 | C[C@@H](c1cccnc1)N(C)C(=O)NCc1ccc(OCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | O)NCc1 |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)c<mask_1:5>1<mask_1:5> | 1 | 49 | 5 | c | 5 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)c(Cl)c1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | (Cl)c |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C<mask_1:3>c1ccc(OCCN2CCN(C)CC2)cc1<mask_1:3> | 7 | 20 | 3 | )C(=O)N | 3 | C[C@@H](c1cccnc1)N(C)CCc1ccc(OCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | )CC |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1c<mask_1:4>OCCN2CCN(C)CC2)cc1<mask_1:4> | 3 | 30 | 4 | cc( | 4 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(COCCN2CCN(C)CC2)cc1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | cc(C |
<|startoftext|><L>C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)<mask_1:4>c1<mask_1:4> | 1 | 48 | 4 | c | 4 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)c(F)c1 | C[C@@H](c1cccnc1)N(C)C(=O)Nc1ccc(OCCN2CCN(C)CC2)cc1 | c(F) |
<|startoftext|><L>O=c1c2<mask_1:1>ccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12<mask_1:1> | 2 | 6 | 1 | cc | 1 | O=c1c2sccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | s |
<|startoftext|><L>O=c1<mask_1:4>c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12<mask_1:4> | 0 | 4 | 4 | 4 | O=c1[nH]c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | [nH] |
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<|startoftext|><L>O=c1c2c<mask_1:5>ccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12<mask_1:5> | 1 | 7 | 5 | c | 5 | O=c1c2c(Cl)cccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | (Cl)c |
<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3ccccc<mask_1:3>]2)c2ccccc12<mask_1:3> | 4 | 25 | 3 | 3[nH | 4 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | 3[nH |
<|startoftext|><L>O=c1c<mask_1:5>2n(Cc2nc3ccccc3[nH]2)c2ccccc12<mask_1:5> | 6 | 5 | 5 | 2ccccc | 5 | O=c1c2ccsc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | 2ccsc |
<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc<mask_1:2>2<mask_1:2> | 1 | 39 | 2 | 1 | 2 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc1-2 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | 1- |
<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2c<mask_1:2>12<mask_1:2> | 4 | 35 | 2 | cccc | 3 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccsc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | csc |
<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3c<mask_1:5>cc3[nH]2)c2ccccc12<mask_1:5> | 2 | 21 | 5 | cc | 5 | O=c1c2ccccc2n(Cc2nc3cc(F)ccc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | c(F)c |
<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3ccc<mask_1:3>cc3[nH]2)c2ccccc12<mask_1:3> | 0 | 23 | 3 | 3 | O=c1c2ccccc2n(Cc2nc3ccc(F)cc3[nH]2)c2ccccc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | (F) |
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<|startoftext|><L>O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccc<mask_1:6>2<mask_1:6> | 3 | 37 | 6 | cc1 | 7 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccc(Br)cc12 | O=c1c2ccccc2n(Cc2nc3ccccc3[nH]2)c2ccccc12 | (Br)cc1 |
<|startoftext|><L>CCC(=O)N(C<mask_1:1>cccc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:1> | 3 | 10 | 1 | c1c | 1 | CCC(=O)N(C1cccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | 1 |
<|startoftext|><L>CCC(=O)N(Cc1c<mask_1:1>1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:1> | 4 | 13 | 1 | cccc | 1 | CCC(=O)N(Cc1cn1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | n |
<|startoftext|><L>CCC(=O)N(Cc<mask_1:3>cc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:3> | 4 | 11 | 3 | 1ccc | 3 | CCC(=O)N(Cc1sccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | 1sc |
<|startoftext|><L>CCC(=O)N(C<mask_1:6>ccc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:6> | 4 | 10 | 6 | c1cc | 6 | CCC(=O)N(CCOc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | COc1cc |
<|startoftext|><L>CCC(=O)N(<mask_1:5>c1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:5> | 1 | 9 | 5 | C | 5 | CCC(=O)N(C(=O)c1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | C(=O) |
<|startoftext|><L>CCC(=O)N(Cc1ccccc1<mask_1:2>C@H](Cc1ccccc1)C(=O)NC<mask_1:2> | 3 | 18 | 2 | C)[ | 2 | CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | )[ |
<|startoftext|><L>CC<mask_1:5>(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:5> | 1 | 2 | 5 | C | 5 | CCS(=O)(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | S(=O) |
<|startoftext|><L>CCC(=O)N(Cc1ccccc<mask_1:4>H](Cc1ccccc1)C(=O)NC<mask_1:4> | 6 | 17 | 4 | 1C)[C@ | 4 | CCC(=O)N(Cc1ccccc1)[CH](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | 1)[C |
<|startoftext|><L>CCC(=O)N(Cc1ccccc1C)[C@H](Cc1cccc<mask_1:6>(=O)NC<mask_1:6> | 4 | 33 | 6 | c1)C | 6 | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1Cl)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | c1Cl)C |
<|startoftext|><L>CC<mask_1:3>(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC<mask_1:3> | 6 | 2 | 3 | C(=O)N | 3 | CCCCN(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC | CCN |