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stringlengths 49
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| first_mask_count
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| first_start_index
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| first_mask_gen_count
int64 1
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stringlengths 0
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| first_mask_gen_count_real
int64 0
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| generated_smiles
stringlengths 12
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| original_smiles
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<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(<mask_1:3>Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:3> | 5 | 28 | 3 | C(=O) | 3 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(OCCNc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | OCC |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc<mask_1:1>c3ccc4c(c3)CCCC4)o2)cc1<mask_1:1> | 2 | 39 | 1 | (- | 1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | ( |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c<mask_1:5>CCC4)o2)cc1<mask_1:5> | 3 | 50 | 5 | 3)C | 5 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | 3)CCC |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=<mask_1:8>-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:8> | 9 | 31 | 8 | O)Nc2nnc( | 8 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)c2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | O)c2nnc( |
<|startoftext|><L>C[C@H]1C<mask_1:2>N1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:2> | 3 | 8 | 2 | CCC | 2 | C[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | CC |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2n<mask_1:4>-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:4> | 3 | 37 | 4 | nc( | 4 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(C-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | nc(C |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)<mask_1:5>CC4)o2)cc1<mask_1:5> | 2 | 52 | 5 | CC | 5 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)C(=O)CC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C(=O) |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)<mask_1:7>C4)o2)cc1<mask_1:7> | 3 | 52 | 7 | CCC | 7 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)NC(=O)CC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | NC(=O)C |
<|startoftext|><L>C[C@H]1C<mask_1:9>1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:9> | 4 | 8 | 9 | CCCN | 9 | C[C@H]1CCCC[C@@H]1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | CCC[C@@H] |
<|startoftext|><L>C[C@H]1CCCCN1S(=O)(=O)c1c<mask_1:8>C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1<mask_1:8> | 3 | 25 | 8 | cc( | 8 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | C[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)cc1 | cc(C(=O) |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)<mask_1:5>C2CCOCC2)C1<mask_1:5> | 0 | 44 | 5 | 5 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)N(C)CC2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | N(C)C |
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<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@<mask_1:8>@H](NS(=O)(=O)C2CCOCC2)C1<mask_1:8> | 7 | 23 | 8 | H]1CC[C | 8 | COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@H](NS(=O)(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | H]1CCC[C |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H]<mask_1:4>=O)C2CCOCC2)C1<mask_1:4> | 8 | 33 | 4 | (NS(=O)( | 4 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NC(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | (NC( |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C<mask_1:4>2)C1<mask_1:4> | 6 | 45 | 4 | 2CCOCC | 4 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)CC2CC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | C2CC |
<|startoftext|><L>COc1ccc(F)cc1C<mask_1:8>[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1<mask_1:8> | 5 | 14 | 8 | (=O)N | 8 | COc1ccc(F)cc1C(=O)N(C)[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | (=O)N(C) |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)<mask_1:4>C1<mask_1:4> | 0 | 53 | 4 | 4 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C(C)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | C(C) |
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<|startoftext|><L>COc1<mask_1:6>cc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1<mask_1:6> | 1 | 4 | 6 | c | 6 | COc1c(C#N)cc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | c(C#N) |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1C<mask_1:4>C[C@H](NS(=O)(=O)C2CCOCC2)C1<mask_1:4> | 0 | 27 | 4 | 4 | COc1ccc(F)cc1C(=O)N[C@@H]1CN(C)C[C@H](NS(=O)(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | N(C) |
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<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC<mask_1:7>(NS(=O)(=O)C2CCOCC2)C1<mask_1:7> | 5 | 28 | 7 | [C@H] | 7 | COc1ccc(F)cc1C(=O)N[C@@H]1CCC[C@@H](NS(=O)(=O)C2CCOCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | C[C@@H] |
<|startoftext|><L>COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=<mask_1:8>CC2)C1<mask_1:8> | 7 | 42 | 8 | O)C2CCO | 8 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)CC2CCCCC2)C1 | COc1ccc(F)cc1C(=O)N[C@@H]1CC[C@H](NS(=O)(=O)C2CCOCC2)C1 | O)CC2CCC |
<|startoftext|><L>CO<mask_1:6>c1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:6> | 7 | 2 | 6 | CCn1nnn | 6 | COc1ccccc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | c1cccc |
<|startoftext|><L>COCCn1nn<mask_1:5>[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:5> | 3 | 8 | 5 | nc1 | 5 | COCCn1nnnc1SC[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | nc1SC |
<|startoftext|><L>COCCn1<mask_1:6>c1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:6> | 3 | 6 | 6 | nnn | 6 | COCCn1nc(C)nc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | nc(C)n |
<|startoftext|><L>COCCn1nnnc1[C@<mask_1:6>c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:6> | 4 | 14 | 6 | @H]( | 6 | COCCn1nnnc1[C@@H](CCc1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | @H](CC |
<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CC<mask_1:4>N(Cc2ccccc2OC)CC1<mask_1:4> | 0 | 38 | 4 | 4 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(C)N(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | N(C) |
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<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccc<mask_1:6>c2OC)CC1<mask_1:6> | 1 | 46 | 6 | c | 6 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccc(OCC)cc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | (OCC)c |
<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc(N(C)C)c<mask_1:7>)N1CCN(Cc2ccccc2OC)CC1<mask_1:7> | 2 | 31 | 7 | c1 | 7 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N(CC)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | c1)N(CC |
<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc(N(C<mask_1:4>cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:4> | 3 | 27 | 4 | )C) | 4 | COCCn1nnnc1[C@@H](c1ccc(N(C)CC)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | )CC) |
<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc(N<mask_1:7>)C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:7> | 2 | 25 | 7 | (C | 7 | COCCn1nnnc1[C@@H](c1ccc(N(C)CC(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | (C)CC(C |
<|startoftext|><L>COCCn1nnnc1[C@@H](c1ccc<mask_1:6>C)cc1)N1CCN(Cc2ccccc2OC)CC1<mask_1:6> | 5 | 23 | 6 | (N(C) | 6 | COCCn1nnnc1[C@@H](c1ccc(OC(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | COCCn1nnnc1[C@@H](c1ccc(N(C)C)cc1)N1CCN(Cc2ccccc2OC)CC1 | (OC(C) |
<|startoftext|><L>CCSc1nnc(N2C<mask_1:1>CCC2)n1C1CC1<mask_1:1> | 0 | 12 | 1 | 1 | CCSc1nnc(N2CCCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | C |
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<|startoftext|><L>C<mask_1:2>1nnc(N2CCCC2)n1C1CC1<mask_1:2> | 3 | 1 | 2 | CSc | 2 | CSc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | Sc |
<|startoftext|><L>CCSc1nnc(N2CC<mask_1:2>)n1C1CC1<mask_1:2> | 3 | 13 | 2 | CC2 | 2 | CCSc1nnc(N2CCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | C2 |
<|startoftext|><L><mask_1:2>c1nnc(N2CCCC2)n1C1CC1<mask_1:2> | 3 | 0 | 2 | CCS | 2 | CCc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | CC |
<|startoftext|><L>C<mask_1:2>Sc1nnc(N2CCCC2)n1C1CC1<mask_1:2> | 1 | 1 | 2 | C | 2 | CCCSc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | CC |
<|startoftext|><L>CCS<mask_1:2>c1nnc(N2CCCC2)n1C1CC1<mask_1:2> | 0 | 3 | 2 | 2 | CCSCCc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | CC |
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<|startoftext|><L><mask_1:2>c1nnc(N2CCCC2)n1C1CC1<mask_1:2> | 3 | 0 | 2 | CCS | 2 | CSc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | CS |
<|startoftext|><L>C<mask_1:3>c1nnc(N2CCCC2)n1C1CC1<mask_1:3> | 2 | 1 | 3 | CS | 3 | CCOCc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | COC |
<|startoftext|><L><mask_1:3>Sc1nnc(N2CCCC2)n1C1CC1<mask_1:3> | 2 | 0 | 3 | CC | 3 | CCCSc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | CCC |
<|startoftext|><L>C<mask_1:3>Sc1nnc(N2CCCC2)n1C1CC1<mask_1:3> | 1 | 1 | 3 | C | 3 | C=CCSc1nnc(N2CCCC2)n1C1CC1 | CCSc1nnc(N2CCCC2)n1C1CC1 | =CC |
<|startoftext|><L>CCOC(=O)c1ccc(/N=C/c2ccc(N<mask_1:3>CCOCC3)c(F)c2)cc1<mask_1:3> | 1 | 26 | 3 | 3 | 3 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | 3CC |
<|startoftext|><L>CCOC<mask_1:5>c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1<mask_1:5> | 4 | 4 | 5 | (=O) | 5 | CCOC(=O)Nc1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | (=O)N |
<|startoftext|><L>CCOC(=O)c<mask_1:6>c(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1<mask_1:6> | 3 | 9 | 6 | 1cc | 6 | CCOC(=O)c1cc(O)c(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | 1cc(O) |
<|startoftext|><L>CCOC<mask_1:5>)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1<mask_1:5> | 3 | 4 | 5 | (=O | 5 | CCOCNC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | NC(=O |
<|startoftext|><L>C<mask_1:2>=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1<mask_1:2> | 4 | 1 | 2 | COC( | 2 | CC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | C( |
<|startoftext|><L>CCOC(=O)c1ccc<mask_1:1>/c2ccc(N3CCOCC3)c(F)c2)cc1<mask_1:1> | 5 | 13 | 1 | (/N=C | 1 | CCOC(=O)c1ccc(/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | ( |
<|startoftext|><L>CCOC(=O)c1ccc(/N=C/c2cc<mask_1:5>CCOCC3)c(F)c2)cc1<mask_1:5> | 4 | 23 | 5 | c(N3 | 5 | CCOC(=O)c1ccc(/N=C/c2ccc(CN3CCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | c(CN3 |
<|startoftext|><L>CCOC(=O)c1ccc(/N=C/c2ccc(N<mask_1:3>COCC3)c(F)c2)cc1<mask_1:3> | 2 | 26 | 3 | 3C | 3 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCOCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | 3CC |
<|startoftext|><L>CCOC(=O)c1ccc(/N=C/c2ccc(N3C<mask_1:4>C3)c(F)c2)cc1<mask_1:4> | 3 | 28 | 4 | COC | 4 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCCCCC3)c(F)c2)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | CCCC |
<|startoftext|><L>CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c<mask_1:3>cc1<mask_1:3> | 2 | 39 | 3 | 2) | 3 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2F)cc1 | CCOC(=O)c1ccc(/N=C/c2ccc(N3CCOCC3)c(F)c2)cc1 | 2F) |
<|startoftext|><L>Cc1cccc2c<mask_1:4>=O)NCc3cnc(N(C)C)n3C)c[nH]c12<mask_1:4> | 5 | 9 | 4 | (CCC( | 4 | Cc1cccc2c(CC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | (CC( |
<|startoftext|><L>Cc1cccc2c(CCC(=O<mask_1:6>Cc3cnc(N(C)C)n3C)c[nH]c12<mask_1:6> | 2 | 16 | 6 | )N | 6 | Cc1cccc2c(CCC(=O)N(C)CCc3cnc(N(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | )N(C)C |
<|startoftext|><L>Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C<mask_1:5>C)c[nH]c12<mask_1:5> | 3 | 30 | 5 | )n3 | 5 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)nc3OC)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | )nc3O |
<|startoftext|><L>Cc1cccc2c(CCC(=O)N<mask_1:1>nc(N(C)C)n3C)c[nH]c12<mask_1:1> | 4 | 18 | 1 | Cc3c | 1 | Cc1cccc2c(CCC(=O)N3nc(N(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | 3 |
<|startoftext|><L>Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)<mask_1:3>c[nH]c12<mask_1:3> | 4 | 31 | 3 | n3C) | 3 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)s3)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | s3) |
<|startoftext|><L>Cc1cccc2c<mask_1:4>CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12<mask_1:4> | 1 | 9 | 4 | ( | 4 | Cc1cccc2c(CCNCCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | (CCN |
<|startoftext|><L>Cc1cccc2c(CCC(=O)NCc3cn<mask_1:5>C)C)n3C)c[nH]c12<mask_1:5> | 4 | 23 | 5 | c(N( | 5 | Cc1cccc2c(CCC(=O)NCc3cnc(CN(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | c(CN( |
<|startoftext|><L>Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C<mask_1:6>)n3C)c[nH]c12<mask_1:6> | 0 | 30 | 6 | 6 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C4CCCC4)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | 4CCCC4 |
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<|startoftext|><L>Cc1cccc2c(CCC(=O<mask_1:1>Cc3cnc(N(C)C)n3C)c[nH]c12<mask_1:1> | 2 | 16 | 1 | )N | 1 | Cc1cccc2c(CCC(=O)Cc3cnc(N(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | ) |
<|startoftext|><L>Cc1cccc2c(CCC(=O)NCc3cnc(<mask_1:6>)C)n3C)c[nH]c12<mask_1:6> | 3 | 25 | 6 | N(C | 6 | Cc1cccc2c(CCC(=O)NCc3cnc(C(C)(C)C)n3C)c[nH]c12 | Cc1cccc2c(CCC(=O)NCc3cnc(N(C)C)n3C)c[nH]c12 | C(C)(C |
<|startoftext|><L>COc1ccc(S(=O)<mask_1:2>c2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:2> | 5 | 13 | 2 | (=O)N | 2 | COc1ccc(S(=O)NCc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | NC |
<|startoftext|><L>COc1ccc(S<mask_1:5>)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:5> | 7 | 9 | 5 | (=O)(=O | 5 | COc1ccc(SCC(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | CC(=O |
<|startoftext|><L>COc1ccc(S(=O)(=O<mask_1:6>nn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:6> | 5 | 16 | 6 | )Nc2c | 6 | COc1ccc(S(=O)(=O)NCc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | )NCc2c |
<|startoftext|><L>COc1ccc(S(=O)<mask_1:1>2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:1> | 6 | 13 | 1 | (=O)Nc | 1 | COc1ccc(S(=O)c2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | c |
<|startoftext|><L>COc1ccc(S(=O)(=O)N<mask_1:7>C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:7> | 6 | 18 | 7 | c2cnn( | 7 | COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | c2cccc( |
<|startoftext|><L>COc1ccc(S(=O)(=O)Nc2cnn(C)c2<mask_1:7>(=O)(=O)C(F)F)c1<mask_1:7> | 5 | 28 | 7 | )c(NS | 7 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2C)c(CNS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | C)c(CNS |
<|startoftext|><L>COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(<mask_1:3>C(F)F)c1<mask_1:3> | 7 | 34 | 3 | =O)(=O) | 3 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | =O) |
<|startoftext|><L>COc1ccc(S<mask_1:3>(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:3> | 4 | 9 | 3 | (=O) | 3 | COc1ccc(SCCC(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | CCC |
<|startoftext|><L>COc1ccc(S(=O)(=O)Nc2<mask_1:4>c2)c(NS(=O)(=O)C(F)F)c1<mask_1:4> | 6 | 20 | 4 | cnn(C) | 4 | COc1ccc(S(=O)(=O)Nc2ccccc2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | cccc |
<|startoftext|><L>COc1ccc(S(=O)(<mask_1:3>c2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1<mask_1:3> | 4 | 14 | 3 | =O)N | 3 | COc1ccc(S(=O)(=O)c2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | COc1ccc(S(=O)(=O)Nc2cnn(C)c2)c(NS(=O)(=O)C(F)F)c1 | =O) |
<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC)c3ccccc<mask_1:8>(S(=O)(=O)N3CCOCC3)ccc21<mask_1:8> | 7 | 30 | 8 | 23)c2cc | 7 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | 23)c2cc |
<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC<mask_1:4>c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21<mask_1:4> | 1 | 22 | 4 | ) | 4 | CCN1C(=O)/C(=C\c2cn(CCC#N)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | C#N) |
<|startoftext|><L>CCN1C(<mask_1:6>=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21<mask_1:6> | 0 | 6 | 6 | 6 | CCN1C(=O)NC(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | =O)NC( |
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<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=<mask_1:9>OCC3)ccc21<mask_1:9> | 6 | 45 | 9 | O)N3CC | 9 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCCCCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | O)N3CCCCC |
<|startoftext|><L>CCN1C(=O)<mask_1:6>2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21<mask_1:6> | 7 | 9 | 6 | /C(=C\c | 6 | CCN1C(=O)N(CCCc2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | N(CCCc |
<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CC<mask_1:2>3)ccc21<mask_1:2> | 3 | 51 | 2 | OCC | 2 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CC |
<|startoftext|><L>CCN1C<mask_1:9>=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21<mask_1:9> | 7 | 5 | 9 | (=O)/C( | 8 | CCN1C(=O)S/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | (=O)S/C( |
<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O<mask_1:5>C3)ccc21<mask_1:5> | 7 | 46 | 5 | )N3CCOC | 5 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)NC3CC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | )NC3C |
<|startoftext|><L>CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)<mask_1:9>(=O)N3CCOCC3)ccc21<mask_1:9> | 0 | 43 | 9 | 9 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N(C)C(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | (=O)N(C)C |
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<|startoftext|><L>CCN1C(<mask_1:2>c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21<mask_1:2> | 9 | 6 | 2 | =O)/C(=C\ | 2 | CCN1C(=Nc2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | CCN1C(=O)/C(=C\c2cn(CC)c3ccccc23)c2cc(S(=O)(=O)N3CCOCC3)ccc21 | =N |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(O<mask_1:6>3c(C)cccc3C)c(C)c2)cc1<mask_1:6> | 8 | 26 | 6 | CC(=O)Nc | 6 | CCOc1ccc(NS(=O)(=O)c2ccc(OC(=O)c3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | C(=O)c |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(O<mask_1:2>Nc3c(C)cccc3C)c(C)c2)cc1<mask_1:2> | 6 | 26 | 2 | CC(=O) | 2 | CCOc1ccc(NS(=O)(=O)c2ccc(OCCNc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | CC |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c<mask_1:5>c1<mask_1:5> | 7 | 47 | 5 | (C)c2)c | 5 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)cc2C)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | c2C)c |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(<mask_1:8>)Nc3c(C)cccc3C)c(C)c2)cc1<mask_1:8> | 6 | 25 | 8 | OCC(=O | 8 | CCOc1ccc(NS(=O)(=O)c2ccc(S(=O)(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | S(=O)(=O |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(OCC(<mask_1:3>C)cccc3C)c(C)c2)cc1<mask_1:3> | 8 | 29 | 3 | =O)Nc3c( | 3 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(N3CC)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | N3C |
<|startoftext|><L><mask_1:1>Oc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1<mask_1:1> | 2 | 0 | 1 | CC | 1 | COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | C |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(OCC<mask_1:7>O)Nc3c(C)cccc3C)c(C)c2)cc1<mask_1:7> | 2 | 28 | 7 | (= | 7 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)C(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | (=O)C(= |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)<mask_1:4>3c(C)cccc3C)c(C)c2)cc1<mask_1:4> | 2 | 32 | 4 | Nc | 4 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)NCCc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | NCCc |
<|startoftext|><L>CCOc1ccc<mask_1:6>(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1<mask_1:6> | 7 | 8 | 6 | (NS(=O) | 6 | CCOc1ccc(S(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | (S(=O) |
<|startoftext|><L>CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(<mask_1:3>c2)cc1<mask_1:3> | 2 | 48 | 3 | C) | 3 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 | CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3c(C)cccc3C)c(C)c2)cc1 | Cl) |
<|startoftext|><L>CN([C@H]1CCN(c2<mask_1:5>cc(C#N)nc2)C1)S(=O)(=O)C1CC1<mask_1:5> | 1 | 15 | 5 | c | 5 | CN([C@H]1CCN(c2c(Cl)cc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | c(Cl) |
<|startoftext|><L>CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S<mask_1:2>O)C1CC1<mask_1:2> | 6 | 31 | 2 | (=O)(= | 2 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | (= |
<|startoftext|><L>CN([C@H]1CCN(c2ccc(C#N)nc2)C1)<mask_1:3>)(=O)C1CC1<mask_1:3> | 4 | 30 | 3 | S(=O | 3 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(C)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | S(C |
<|startoftext|><L>CN([C@H]1CCN(c2cc<mask_1:4>)nc2)C1)S(=O)(=O)C1CC1<mask_1:4> | 5 | 17 | 4 | c(C#N | 4 | CN([C@H]1CCN(c2ccc(Cl)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | c(Cl |
<|startoftext|><L>CN([C@H]1CCN(c2<mask_1:5>N)nc2)C1)S(=O)(=O)C1CC1<mask_1:5> | 6 | 15 | 5 | ccc(C# | 5 | CN([C@H]1CCN(c2cnc(CN)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | cnc(C |
<|startoftext|><L>CN([C@H<mask_1:3>CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1<mask_1:3> | 2 | 7 | 3 | ]1 | 3 | CN([C@H]1CCCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | ]1C |
<|startoftext|><L>CN([C<mask_1:6>CN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1<mask_1:6> | 5 | 5 | 6 | @H]1C | 6 | CN([C@H]1CCCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | @H]1CC |
<|startoftext|><L>CN([C@H]1CCN(c2ccc(C#N)n<mask_1:4>C1)S(=O)(=O)C1CC1<mask_1:4> | 3 | 24 | 4 | c2) | 4 | CN([C@H]1CCN(c2ccc(C#N)nc2F)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | c2F) |
<|startoftext|><L>CN([C@H]1CCN(c2ccc(C#N)nc2)C1)<mask_1:2>(=O)C1CC1<mask_1:2> | 5 | 30 | 2 | S(=O) | 2 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)CC(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CC |
<|startoftext|><L>CN([C@H]1<mask_1:2>CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1<mask_1:2> | 0 | 9 | 2 | 2 | CN([C@H]1CCCCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CN([C@H]1CCN(c2ccc(C#N)nc2)C1)S(=O)(=O)C1CC1 | CC |