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stringlengths 47
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int64 0
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| generated_smiles
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| original_smiles
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<|startoftext|><L>CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1<mask_1:2>(OC)c(OC)c1<mask_1:2> | 3 | 32 | 2 | ccc | 2 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1sc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | sc |
<|startoftext|><L>CC[C@<mask_1:5>=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:5> | 6 | 5 | 5 | H](NC( | 5 | CC[C@H](C(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | H](C( |
<|startoftext|><L>CC[C@<mask_1:2>C(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:2> | 4 | 5 | 2 | H](N | 2 | CC[C@](C(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | ]( |
<|startoftext|><L>CC[C@H](NC(=O)<mask_1:5>C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:5> | 6 | 14 | 5 | CCn1c( | 5 | CC[C@H](NC(=O)Cn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | Cn1c( |
<|startoftext|><L>CC[C@H](NC(=O)CCn1c(<mask_1:4>ccc1=O)c1ccc(OC)c(OC)c1<mask_1:4> | 3 | 20 | 4 | C)c | 4 | CC[C@H](NC(=O)CCn1c(CO)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CO)c |
<|startoftext|><L><mask_1:5>[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:5> | 2 | 0 | 5 | CC | 5 | CC(C)[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC(C) |
<|startoftext|><L>CC[C@H](NC(=O)CC<mask_1:5>C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:5> | 4 | 16 | 5 | n1c( | 5 | CC[C@H](NC(=O)CCn1c(OC)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | n1c(O |
<|startoftext|><L>CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1c<mask_1:4>cc(OC)c(OC)c1<mask_1:4> | 0 | 33 | 4 | 4 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1c(OC)cc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | (OC) |
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<|startoftext|><L>CC[C@H](NC<mask_1:2>)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:2> | 3 | 10 | 2 | (=O | 2 | CC[C@H](NC(C)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | (C |
<|startoftext|><L>CC[C@H<mask_1:3>(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1<mask_1:3> | 4 | 6 | 3 | ](NC | 3 | CC[C@H](C(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | CC[C@H](NC(=O)CCn1c(C)cccc1=O)c1ccc(OC)c(OC)c1 | ](C |
<|startoftext|><L>CC(C)<mask_1:5>Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O<mask_1:5> | 0 | 5 | 5 | 5 | CC(C)N(C)CCn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | N(C)C |
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<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN2CC<mask_1:3>CC2)c(=O)[nH]c1=O<mask_1:3> | 1 | 24 | 3 | C | 3 | CC(C)Cn1c(N)c(C(=O)CN2CCCCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CCC |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN<mask_1:6>CC2)c(=O)[nH]c1=O<mask_1:6> | 4 | 21 | 6 | 2CCC | 6 | CC(C)Cn1c(N)c(C(=O)CNC2CCCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | C2CCCC |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN2CCC<mask_1:2>=O)[nH]c1=O<mask_1:2> | 6 | 25 | 2 | CC2)c( | 2 | CC(C)Cn1c(N)c(C(=O)CN2CCCC2=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | C2 |
<|startoftext|><L>CC<mask_1:6>n1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O<mask_1:6> | 4 | 2 | 6 | (C)C | 6 | CC(C)(C)n1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | (C)(C) |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN<mask_1:5>CCCCC2)c(=O)[nH]c1=O<mask_1:5> | 1 | 21 | 5 | 2 | 5 | CC(C)Cn1c(N)c(C(=O)CNCCC2=CCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CCC2= |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN2CCCC<mask_1:2>2)c(=O)[nH]c1=O<mask_1:2> | 1 | 26 | 2 | C | 2 | CC(C)Cn1c(N)c(C(=O)CN2CCCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CC |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN<mask_1:5>2CCCCC2)c(=O)[nH]c1=O<mask_1:5> | 0 | 21 | 5 | 5 | CC(C)Cn1c(N)c(C(=O)CN(C)CC2CCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | (C)CC |
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<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN2C<mask_1:5>c(=O)[nH]c1=O<mask_1:5> | 6 | 23 | 5 | CCCC2) | 5 | CC(C)Cn1c(N)c(C(=O)CN2CCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CCC2) |
<|startoftext|><L>CC(C)Cn1c(N)c(C(=O)CN2CC<mask_1:3>CC2)c(=O)[nH]c1=O<mask_1:3> | 1 | 24 | 3 | C | 3 | CC(C)Cn1c(N)c(C(=O)CN2CCCCCCC2)c(=O)[nH]c1=O | CC(C)Cn1c(N)c(C(=O)CN2CCCCC2)c(=O)[nH]c1=O | CCC |
<|startoftext|><L>CCc1ccccc1NC(=O)/C=C/c1ccc(OC<mask_1:2>)cc1OC<mask_1:2> | 0 | 29 | 2 | 2 | CCc1ccccc1NC(=O)/C=C/c1ccc(OCCC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | CC |
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<|startoftext|><L>CCc1ccccc1NC(=O)<mask_1:4>C/c1ccc(OC)cc1OC<mask_1:4> | 3 | 16 | 4 | /C= | 4 | CCc1ccccc1NC(=O)CO/NC/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | CO/N |
<|startoftext|><L>CCc1ccccc1NC(=O)/C=C/c1ccc(OC<mask_1:4>)cc1OC<mask_1:4> | 0 | 29 | 4 | 4 | CCc1ccccc1NC(=O)/C=C/c1ccc(OC(F)F)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | (F)F |
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<|startoftext|><L>CCc1ccccc1NC(=O)/C=C/c1cc<mask_1:1>cc1OC<mask_1:1> | 5 | 25 | 1 | c(OC) | 1 | CCc1ccccc1NC(=O)/C=C/c1ccccc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | c |
<|startoftext|><L>CCc1ccccc1NC(<mask_1:3>C=C/c1ccc(OC)cc1OC<mask_1:3> | 4 | 13 | 3 | =O)/ | 3 | CCc1ccccc1NC(=O)C=C/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | =O) |
<|startoftext|><L><mask_1:4>c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC<mask_1:4> | 2 | 0 | 4 | CC | 4 | CCCOc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | CCCO |
<|startoftext|><L>CCc1ccccc1N<mask_1:5>(=O)/C=C/c1ccc(OC)cc1OC<mask_1:5> | 1 | 11 | 5 | C | 5 | CCc1ccccc1NS(=O)(=O)/C=C/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | S(=O) |
<|startoftext|><L>CCc1ccccc1N<mask_1:1>O)/C=C/c1ccc(OC)cc1OC<mask_1:1> | 3 | 11 | 1 | C(= | 1 | CCc1ccccc1N(O)/C=C/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | ( |
<|startoftext|><L>CCc1ccccc1NC(=O)/C=C/c1ccc<mask_1:5>C)cc1OC<mask_1:5> | 2 | 26 | 5 | (O | 5 | CCc1ccccc1NC(=O)/C=C/c1ccc(N(C)C)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | (N(C) |
<|startoftext|><L>CCc<mask_1:1>ccc1NC(=O)/C=C/c1ccc(OC)cc1OC<mask_1:1> | 3 | 3 | 1 | 1cc | 1 | CCc1ccc1NC(=O)/C=C/c1ccc(OC)cc1OC | CCc1ccccc1NC(=O)/C=C/c1ccc(OC)cc1OC | 1 |
<|startoftext|><L>O=C(CCCC(=O)OCC(F)(F)C(F)F)NC<mask_1:3>C1<mask_1:3> | 5 | 29 | 3 | 1CCCC | 3 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NCC1CC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | C1C |
<|startoftext|><L>O=C(CCCC(=O)<mask_1:4>CC(F)(F)C(F)F)NC1CCCCC1<mask_1:4> | 1 | 12 | 4 | O | 4 | O=C(CCCC(=O)N(C)CC(F)(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | N(C) |
<|startoftext|><L>O=C(C<mask_1:3>CC(=O)OCC(F)(F)C(F)F)NC1CCCCC1<mask_1:3> | 1 | 5 | 3 | C | 3 | O=C(CCCCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | CCC |
<|startoftext|><L>O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CC<mask_1:4>1<mask_1:4> | 3 | 32 | 4 | CCC | 4 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | CCCC |
<|startoftext|><L>O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1C<mask_1:3>CC1<mask_1:3> | 2 | 31 | 3 | CC | 3 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | CCC |
<|startoftext|><L>O=C(CCCC(=O)OC<mask_1:4>C(F)(F)C(F)F)NC1CCCCC1<mask_1:4> | 0 | 14 | 4 | 4 | O=C(CCCC(=O)OCCCSCC(F)(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | CCSC |
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<|startoftext|><L>O=C(CCCC(=O)OCC<mask_1:2>)C(F)F)NC1CCCCC1<mask_1:2> | 5 | 15 | 2 | (F)(F | 2 | O=C(CCCC(=O)OCC(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | (F |
<|startoftext|><L>O=C(CCCC(=O)OCC(F)(F)C<mask_1:5>(F)F)NC1CCCCC1<mask_1:5> | 0 | 22 | 5 | 5 | O=C(CCCC(=O)OCC(F)(F)C(F)OC(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | (F)OC |
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<|startoftext|><L>O=C(C<mask_1:5>=O)OCC(F)(F)C(F)F)NC1CCCCC1<mask_1:5> | 4 | 5 | 5 | CCC( | 5 | O=C(CSCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | SCCC( |
<|startoftext|><L>O=C(C<mask_1:4>CC(=O)OCC(F)(F)C(F)F)NC1CCCCC1<mask_1:4> | 1 | 5 | 4 | C | 4 | O=C(CN(C)CC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | O=C(CCCC(=O)OCC(F)(F)C(F)F)NC1CCCCC1 | N(C) |
<|startoftext|><L>Cc1nc(/C<mask_1:4>C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1<mask_1:4> | 1 | 8 | 4 | = | 4 | Cc1nc(/C(O)=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | (O)= |
<|startoftext|><L>Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C<mask_1:6>(C)C)C2)cs1<mask_1:6> | 0 | 30 | 6 | 6 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(=O)OC(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | (=O)OC |
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<|startoftext|><L>Cc1nc(/C=<mask_1:1>C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1<mask_1:1> | 0 | 9 | 1 | 1 | Cc1nc(/C=CC/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | C |
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<|startoftext|><L>Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(<mask_1:2>)C2)cs1<mask_1:2> | 3 | 31 | 2 | C)C | 2 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C))C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | C) |
<|startoftext|><L>Cc1nc(/C=C/C(=O)NC<mask_1:4>H]2CCCN(C(C)C)C2)cs1<mask_1:4> | 3 | 18 | 4 | [C@ | 4 | Cc1nc(/C=C/C(=O)NC[C@@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | [C@@ |
<|startoftext|><L>Cc1nc(/C=C/C(=O)<mask_1:5>NC[C@H]2CCCN(C(C)C)C2)cs1<mask_1:5> | 0 | 16 | 5 | 5 | Cc1nc(/C=C/C(=O)C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | C(=O) |
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<|startoftext|><L>Cc1nc(/<mask_1:6>C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1<mask_1:6> | 4 | 7 | 6 | C=C/ | 6 | Cc1nc(/C(O)=NC(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | C(O)=N |
<|startoftext|><L>Cc1nc(/C=C/C(=O)NC[C@H]<mask_1:5>N(C(C)C)C2)cs1<mask_1:5> | 4 | 23 | 5 | 2CCC | 5 | Cc1nc(/C=C/C(=O)NC[C@H]2COCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | 2COCC |
<|startoftext|><L>Cc1nc(/C=C/C(=O)NC[C@H]2<mask_1:3>CCN(C(C)C)C2)cs1<mask_1:3> | 1 | 24 | 3 | C | 3 | Cc1nc(/C=C/C(=O)NC[C@H]2COCCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | COC |
<|startoftext|><L>Cc1n<mask_1:4>C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1<mask_1:4> | 3 | 4 | 4 | c(/ | 4 | Cc1nc(C/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | Cc1nc(/C=C/C(=O)NC[C@H]2CCCN(C(C)C)C2)cs1 | c(C/ |
<|startoftext|><L>Cc1nccc([C@H]2CN(C(=O)C3CCC(<mask_1:5>F)CC3)CCO2)n1<mask_1:5> | 3 | 28 | 5 | F)( | 5 | Cc1nccc([C@H]2CN(C(=O)C3CCC(OC(F)F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | OC(F) |
<|startoftext|><L>Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F<mask_1:3>)CCO2)n1<mask_1:3> | 4 | 32 | 3 | )CC3 | 3 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)C3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | )C3 |
<|startoftext|><L>Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CC<mask_1:4>n1<mask_1:4> | 3 | 39 | 4 | O2) | 4 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCN2C)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | N2C) |
<|startoftext|><L>Cc1nccc<mask_1:5>C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1<mask_1:5> | 2 | 7 | 5 | ([ | 5 | Cc1nccc(OCC[C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | (OCC[ |
<|startoftext|><L>Cc1nccc([<mask_1:2>]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1<mask_1:2> | 3 | 9 | 2 | C@H | 2 | Cc1nccc([C@]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | C@ |
<|startoftext|><L>Cc1nccc([C@H]2CN(C(=O)C3C<mask_1:3>)(F)CC3)CCO2)n1<mask_1:3> | 4 | 25 | 3 | CC(F | 3 | Cc1nccc([C@H]2CN(C(=O)C3CC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | C(F |
<|startoftext|><L>Cc1nccc([C@H]2CN(C(=O)<mask_1:6>C(F)(F)CC3)CCO2)n1<mask_1:6> | 4 | 22 | 6 | C3CC | 6 | Cc1nccc([C@H]2CN(C(=O)CCN3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | CCN3CC |
<|startoftext|><L>Cc1ncc<mask_1:5>C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1<mask_1:5> | 3 | 6 | 5 | c([ | 5 | Cc1nccc(CC[C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | c(CC[ |
<|startoftext|><L>Cc1nccc([C@H]2<mask_1:1>CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1<mask_1:1> | 0 | 14 | 1 | 1 | Cc1nccc([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | C |
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<|startoftext|><L>Cc1<mask_1:2>([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1<mask_1:2> | 4 | 3 | 2 | nccc | 3 | Cc1csc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | Cc1nccc([C@H]2CN(C(=O)C3CCC(F)(F)CC3)CCO2)n1 | csc |
<|startoftext|><L>COc1ccc(NC(=O)[C@H]2C<mask_1:6>C(=O)OC(C)(C)C)cn1<mask_1:6> | 4 | 21 | 6 | CCN2 | 6 | COc1ccc(NC(=O)[C@H]2CCCCN2CC(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | CCCN2C |
<|startoftext|><L>COc1ccc(NC(=O)[C@H]2CCC<mask_1:3>N2C(=O)OC(C)(C)C)cn1<mask_1:3> | 0 | 23 | 3 | 3 | COc1ccc(NC(=O)[C@H]2CCCCCCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | CCC |
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<|startoftext|><L>COc1ccc(NC(=O)[C@H]2CCCN2C<mask_1:2>(C)(C)C)cn1<mask_1:2> | 6 | 26 | 2 | (=O)OC | 2 | COc1ccc(NC(=O)[C@H]2CCCN2CSC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | SC |
<|startoftext|><L>COc1ccc(NC(=O)[C@H]2CCCN2<mask_1:5>(=O)OC(C)(C)C)cn1<mask_1:5> | 1 | 25 | 5 | C | 5 | COc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | S(=O) |
<|startoftext|><L>COc1ccc(NC<mask_1:6>[C@H]2CCCN2C(=O)OC(C)(C)C)cn1<mask_1:6> | 4 | 10 | 6 | (=O) | 6 | COc1ccc(NC(=O)CC[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | (=O)CC |
<|startoftext|><L>COc1ccc(N<mask_1:5>(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1<mask_1:5> | 1 | 9 | 5 | C | 5 | COc1ccc(NS(=O)(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | S(=O) |
<|startoftext|><L>COc1c<mask_1:6>NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1<mask_1:6> | 3 | 5 | 6 | cc( | 6 | COc1ccc(CCCNC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | cc(CCC |
<|startoftext|><L>COc1ccc(NC(=O)[C@H<mask_1:2>CCN2C(=O)OC(C)(C)C)cn1<mask_1:2> | 3 | 18 | 2 | ]2C | 2 | COc1ccc(NC(=O)[C@H]2CCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | ]2 |
<|startoftext|><L>COc1ccc(NC(=O)[C@H]2CCCN2C(=<mask_1:3>OC(C)(C)C)cn1<mask_1:3> | 2 | 28 | 3 | O) | 3 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)COC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | O)C |
<|startoftext|><L>CO<mask_1:5>1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1<mask_1:5> | 1 | 2 | 5 | c | 5 | COCCCNc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | COc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cn1 | CCCNc |
<|startoftext|><L>C<mask_1:3>O)[C@H]1CCc2cc(O)cc(=O)n21<mask_1:3> | 4 | 1 | 3 | OC(= | 3 | CC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | C(= |
<|startoftext|><L>COC<mask_1:4>=O)[C@H]1CCc2cc(O)cc(=O)n21<mask_1:4> | 1 | 3 | 4 | ( | 4 | COCCNC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | CNC( |
<|startoftext|><L>COC<mask_1:4>)[C@H]1CCc2cc(O)cc(=O)n21<mask_1:4> | 3 | 3 | 4 | (=O | 4 | COCCN(C)[C@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | CN(C |
<|startoftext|><L>COC(=O<mask_1:4>[C@H]1CCc2cc(O)cc(=O)n21<mask_1:4> | 1 | 6 | 4 | ) | 4 | COC(=O)CCC[C@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | )CCC |
<|startoftext|><L>COC(=O)[C@H]1<mask_1:2>cc(O)cc(=O)n21<mask_1:2> | 4 | 13 | 2 | CCc2 | 2 | COC(=O)[C@H]1c2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | c2 |
<|startoftext|><L>COC(=O)[C@H]1CCc2cc(<mask_1:4>O)cc(=O)n21<mask_1:4> | 0 | 20 | 4 | 4 | COC(=O)[C@H]1CCc2cc(C(C)O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | C(C) |
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<|startoftext|><L>COC(=O)[C@<mask_1:3>1CCc2cc(O)cc(=O)n21<mask_1:3> | 2 | 10 | 3 | H] | 3 | COC(=O)[C@@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | @H] |
<|startoftext|><L>COC(=O)[C@H]1CCc2cc(O<mask_1:4>cc(=O)n21<mask_1:4> | 1 | 21 | 4 | ) | 4 | COC(=O)[C@H]1CCc2cc(OCCO)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | CCO) |
<|startoftext|><L>CO<mask_1:2>C(=O)[C@H]1CCc2cc(O)cc(=O)n21<mask_1:2> | 0 | 2 | 2 | 2 | COCNC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | CN |
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<|startoftext|><L>COC(=O)[C@H]1CCc2cc(<mask_1:4>)cc(=O)n21<mask_1:4> | 1 | 20 | 4 | O | 4 | COC(=O)[C@H]1CCc2cc(OCCO)cc(=O)n21 | COC(=O)[C@H]1CCc2cc(O)cc(=O)n21 | OCCO |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2<mask_1:7>)c1)N1CC[C@@H]2CCCC[C@H]2C1<mask_1:7> | 5 | 29 | 7 | CCCO2 | 7 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCN2CC)c1)N1CC[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | CCCN2CC |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H<mask_1:8>CO2)c1)N1CC[C@@H]2CCCC[C@H]2C1<mask_1:8> | 4 | 27 | 8 | ]2CC | 8 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CN(C)CCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | ]2CN(C)C |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H<mask_1:6>CC[C@H]2C1<mask_1:6> | 4 | 47 | 6 | ]2CC | 6 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CC=CCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | ]2CC=C |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC<mask_1:2>@H]2CCCC[C@H]2C1<mask_1:2> | 3 | 42 | 2 | [C@ | 2 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | [C |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC<mask_1:4>@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1<mask_1:4> | 2 | 22 | 4 | [C | 4 | O=C(c1cccc(S(=O)(=O)NCCC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | CC[C |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)<mask_1:3>H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1<mask_1:3> | 6 | 20 | 3 | NC[C@@ | 3 | O=C(c1cccc(S(=O)(=O)[C@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | [C@ |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N<mask_1:7>[C@@H]2CCCC[C@H]2C1<mask_1:7> | 3 | 39 | 7 | 1CC | 7 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1C(=O)N[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | 1C(=O)N |
<|startoftext|><L>O=C(c<mask_1:9>=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1<mask_1:9> | 8 | 5 | 9 | 1cccc(S( | 9 | O=C(c1cccc(CS(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | 1cccc(CS( |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]<mask_1:1>1<mask_1:1> | 2 | 58 | 1 | 2C | 1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]21 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | 2 |
<|startoftext|><L>O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@<mask_1:4>[C@H]2C1<mask_1:4> | 7 | 46 | 4 | H]2CCCC | 4 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2C[C@H]2C1 | O=C(c1cccc(S(=O)(=O)NC[C@@H]2CCCO2)c1)N1CC[C@@H]2CCCC[C@H]2C1 | H]2C |
<|startoftext|><L>CCc1cccc(NC<mask_1:6>CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:6> | 4 | 11 | 6 | (=O) | 6 | CCc1cccc(NC(=O)CCCSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | (=O)CC |
<|startoftext|><L>CCc1cccc(<mask_1:1>CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:1> | 6 | 9 | 1 | NC(=O) | 1 | CCc1cccc(CCSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | C |
<|startoftext|><L>CCc1cccc(NC<mask_1:1>c2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:1> | 6 | 11 | 1 | (=O)CS | 1 | CCc1cccc(NCCc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | C |
<|startoftext|><L>CCc1cccc<mask_1:3>C(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:3> | 2 | 8 | 3 | (N | 3 | CCc1cccc(CNC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | (CN |
<|startoftext|><L>CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3<mask_1:3>)n2-n2cccc2)c1<mask_1:3> | 2 | 32 | 3 | OC | 3 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3C#N)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | C#N |
<|startoftext|><L>CCc1cccc(NC(=O)CSc2nnc(-c3cc<mask_1:7>OC)n2-n2cccc2)c1<mask_1:7> | 4 | 28 | 7 | ccc3 | 7 | CCc1cccc(NC(=O)CSc2nnc(-c3cc(C)ccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | (C)ccc3 |
<|startoftext|><L>CCc1cccc(NC(<mask_1:5>CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:5> | 3 | 12 | 5 | =O) | 5 | CCc1cccc(NC(=O)CCCSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | =O)CC |
<|startoftext|><L>CCc1cccc(NC(=O)CSc2nnc<mask_1:3>ccc3OC)n2-n2cccc2)c1<mask_1:3> | 6 | 22 | 3 | (-c3cc | 3 | CCc1cccc(NC(=O)CSc2nnc3c(ccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | 3c( |
<|startoftext|><L>CC<mask_1:7>(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:7> | 6 | 2 | 7 | c1cccc | 7 | CCOc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | Oc1cccc |
<|startoftext|><L>CCc1cccc(N<mask_1:1>Sc2nnc(-c3ccccc3OC)n2-n2cccc2)c1<mask_1:1> | 6 | 10 | 1 | C(=O)C | 1 | CCc1cccc(NCSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-n2cccc2)c1 | C |