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stringlengths 47
229
| first_mask_count
int64 0
16
| first_start_index
int64 0
176
| first_mask_gen_count
int64 1
16
| first_mask_tokens
stringlengths 0
16
| first_mask_gen_count_real
int64 0
19
| generated_smiles
stringlengths 10
199
| original_smiles
stringlengths 10
192
| generated_tokens
stringlengths 0
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|---|---|---|---|---|---|---|---|---|
<|startoftext|><L>CCCn1cc(CNC(=O)<mask_1:6>3CC4CC(CC(C4)C2)C3)cn1<mask_1:6> | 3 | 15 | 6 | CC2 | 6 | CCCn1cc(CNC(=O)[C@@]23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | [C@@]2 |
<|startoftext|><L>CCCn1cc(CNC(=O)CC2<mask_1:6>C(CC(C4)C2)C3)cn1<mask_1:6> | 5 | 18 | 6 | 3CC4C | 6 | CCCn1cc(CNC(=O)CC23CC4CCC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | 3CC4CC |
<|startoftext|><L>CCCn1cc(C<mask_1:6>)CC23CC4CC(CC(C4)C2)C3)cn1<mask_1:6> | 5 | 9 | 6 | NC(=O | 6 | CCCn1cc(CCNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CNC(=O |
<|startoftext|><L>CCCn1cc(CNC(=O)CC<mask_1:4>CC(CC(C4)C2)C3)cn1<mask_1:4> | 5 | 17 | 4 | 23CC4 | 4 | CCCn1cc(CNC(=O)CC23C4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | 23C4 |
<|startoftext|><L><mask_1:5>c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1<mask_1:5> | 6 | 0 | 5 | CCCn1c | 5 | CCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CCn1c |
<|startoftext|><L>CCCn1cc(CNC(=O)CC23CC4CC(C<mask_1:3>C4)C2)C3)cn1<mask_1:3> | 2 | 26 | 3 | C( | 3 | CCCn1cc(CNC(=O)CC23CC4CC(CC(CC4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | C(C |
<|startoftext|><L>CCCn1cc(CNC(=O)C<mask_1:4>23CC4CC(CC(C4)C2)C3)cn1<mask_1:4> | 1 | 16 | 4 | C | 4 | CCCn1cc(CNC(=O)C[C@]23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | [C@] |
<|startoftext|><L>CCCn1cc(CNC(=O)CC23CC4CC(CC(C<mask_1:2>2)C3)cn1<mask_1:2> | 3 | 29 | 2 | 4)C | 2 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | 4) |
<|startoftext|><L>C<mask_1:4>c(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1<mask_1:4> | 5 | 1 | 4 | CCn1c | 4 | CCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | Cn1c |
<|startoftext|><L>CCCn1cc(CN<mask_1:5>(=O)CC23CC4CC(CC(C4)C2)C3)cn1<mask_1:5> | 1 | 10 | 5 | C | 5 | CCCn1cc(CNS(=O)(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | CCCn1cc(CNC(=O)CC23CC4CC(CC(C4)C2)C3)cn1 | S(=O) |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc<mask_1:7>F)c(C(F)(F)F)c1<mask_1:7> | 1 | 40 | 7 | ( | 8 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C(F)(F)F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | (C(F)(F) |
<|startoftext|><L>Cc1cc(S(=O)(=<mask_1:5>CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1<mask_1:5> | 4 | 13 | 5 | O)N2 | 5 | Cc1cc(S(=O)(=O)N2CCCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | O)N2C |
<|startoftext|><L>Cc1cc(S(=O)(=O)<mask_1:4>ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1<mask_1:4> | 8 | 15 | 4 | N2CCCC2) | 4 | Cc1cc(S(=O)(=O)NCC)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | NCC) |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OC<mask_1:6>ccc(F)c(C(F)(F)F)c1<mask_1:6> | 8 | 29 | 6 | C(=O)Nc1 | 6 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OC(=O)c1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | (=O)c1 |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N<mask_1:7>cc(F)c(C(F)(F)F)c1<mask_1:7> | 3 | 35 | 7 | c1c | 7 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N(C)Cc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | (C)Cc1c |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC<mask_1:3>1ccc(F)c(C(F)(F)F)c1<mask_1:3> | 6 | 30 | 3 | (=O)Nc | 3 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCCCOc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | COc |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cc<mask_1:5>)c(C(F)(F)F)c1<mask_1:5> | 3 | 39 | 5 | c(F | 5 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | c(C#N |
<|startoftext|><L>Cc1cc(S(=O)(<mask_1:5>N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1<mask_1:5> | 3 | 12 | 5 | =O) | 5 | Cc1cc(S(=O)(=O)CCN2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | =O)CC |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1c<mask_1:3>C(F)(F)F)c1<mask_1:3> | 7 | 38 | 3 | cc(F)c( | 3 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1cnn(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | nn( |
<|startoftext|><L>Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O<mask_1:8>ccc(F)c(C(F)(F)F)c1<mask_1:8> | 4 | 33 | 8 | )Nc1 | 8 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)N(C)Cc1ccc(F)c(C(F)(F)F)c1 | Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1 | )N(C)Cc1 |
<|startoftext|><L>CN(C)C(=O)CN1C(=O)N[C@@<mask_1:4>c2ccc(Cl)cc2)C1=O<mask_1:4> | 5 | 23 | 4 | ](C)( | 4 | CN(C)C(=O)CN1C(=O)N[C@@H](Cc2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | H](C |
<|startoftext|><L>CN(C)C(=O)CN1C(<mask_1:4>)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:4> | 2 | 15 | 4 | =O | 4 | CN(C)C(=O)CN1C(C)(C)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | C)(C |
<|startoftext|><L>CN(C)C(=O)CN1<mask_1:6>C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:6> | 0 | 13 | 6 | 6 | CN(C)C(=O)CN1C(=O)NC(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | C(=O)N |
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<|startoftext|><L>CN(C)C(=O)CN1C<mask_1:1>(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:1> | 0 | 14 | 1 | 1 | CN(C)C(=O)CN1CC(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | C |
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<|startoftext|><L>CN(C)C<mask_1:4>)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:4> | 3 | 6 | 4 | (=O | 4 | CN(C)CC(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | C(=O |
<|startoftext|><L>C<mask_1:5>(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:5> | 1 | 1 | 5 | N | 5 | CCC(C)(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CC(C) |
<|startoftext|><L>CN<mask_1:2>O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:2> | 6 | 2 | 2 | (C)C(= | 2 | CN(CO)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | (C |
<|startoftext|><L>CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc<mask_1:6>)cc2)C1=O<mask_1:6> | 3 | 33 | 6 | (Cl | 6 | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(C3CC3)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | (C3CC3 |
<|startoftext|><L>CN(C)C(=O)CN1C(=O<mask_1:6>[C@@](C)(c2ccc(Cl)cc2)C1=O<mask_1:6> | 2 | 17 | 6 | )N | 6 | CN(C)C(=O)CN1C(=O)N(C)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | )N(C)N |
<|startoftext|><L>CN(C)C(=O)CN1C(=O)N[C@@](<mask_1:2>)(c2ccc(Cl)cc2)C1=O<mask_1:2> | 1 | 25 | 2 | C | 2 | CN(C)C(=O)CN1C(=O)N[C@@](CC)(c2ccc(Cl)cc2)C1=O | CN(C)C(=O)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2)C1=O | CC |
<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)<mask_1:5>c3ccncc3)c2c1<mask_1:5> | 3 | 59 | 5 | c(- | 5 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)nc(=Nc3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | nc(=N |
<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4<mask_1:8>@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:8> | 3 | 33 | 8 | C[C | 8 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C(=O)N[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | C(=O)N[C |
<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(<mask_1:1>-c3ccncc3)c2c1<mask_1:1> | 0 | 61 | 1 | 1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(C-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | C |
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<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C<mask_1:7>C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:7> | 5 | 36 | 7 | @@H]( | 7 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](COC)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | @@H](CO |
<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3<mask_1:7>N(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:7> | 3 | 20 | 7 | CCC | 7 | Cc1ccc2[nH]c([C@@H]3CCC(=O)N(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | CCC(=O) |
<|startoftext|><L>Cc1ccc2<mask_1:9>H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:9> | 10 | 7 | 9 | [nH]c([C@@ | 9 | Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | [nH]c([C@ |
<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN<mask_1:7>C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:7> | 9 | 32 | 7 | 4C[C@@H]( | 7 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | 4C[C@]( |
<|startoftext|><L>Cc1ccc2[nH]c([C@<mask_1:9>@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:9> | 0 | 16 | 9 | 9 | Cc1ccc2[nH]c([C@@H](C)[C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | @H](C)[C@ |
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<|startoftext|><L>Cc1ccc2[nH]c([C@@H]3CCCN<mask_1:2>CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:2> | 6 | 24 | 2 | (C(=O) | 2 | Cc1ccc2[nH]c([C@@H]3CCCN(CCN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | (C |
<|startoftext|><L>Cc1ccc2[nH]c([C@<mask_1:8>@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1<mask_1:8> | 0 | 16 | 8 | 8 | Cc1ccc2[nH]c([C@H](O)[C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CN4C[C@@H](C)O[C@@H](C)C4)C3)c(-c3ccncc3)c2c1 | H](O)[C@ |
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<|startoftext|><L>COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[<mask_1:4>C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:4> | 5 | 31 | 4 | C@H]( | 5 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | C@H]( |
<|startoftext|><L>COc1cc(<mask_1:7>(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:7> | 5 | 7 | 7 | Br)cc | 7 | COc1cc(OC)c(C)(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | OC)c(C) |
<|startoftext|><L>COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H<mask_1:4>H]3C2)c1OCc1ccccc1<mask_1:4> | 8 | 45 | 4 | ]2C=C[C@ | 4 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2[CH]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | ]2[C |
<|startoftext|><L>COc1cc(Br<mask_1:10>C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:10> | 4 | 9 | 10 | )cc( | 10 | COc1cc(Br)c(Br)c(C=C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | )c(Br)c(C= |
<|startoftext|><L>COc1cc(Br)cc<mask_1:3>N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:3> | 4 | 12 | 3 | (C=N | 3 | COc1cc(Br)cc(CCN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | (CC |
<|startoftext|><L>COc1cc(Br)cc(C=NN2C(=O)[C@<mask_1:1>]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:1> | 2 | 26 | 1 | @H | 1 | COc1cc(Br)cc(C=NN2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | H |
<|startoftext|><L>COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C<mask_1:3>2)c1OCc1ccccc1<mask_1:3> | 7 | 50 | 3 | [C@H]3C | 3 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=CC3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | C3C |
<|startoftext|><L>COc1<mask_1:5>c(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:5> | 1 | 4 | 5 | c | 5 | COc1c(Br)c(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | c(Br) |
<|startoftext|><L>COc1cc(Br)cc(<mask_1:9>O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1<mask_1:9> | 8 | 13 | 9 | C=NN2C(= | 10 | COc1cc(Br)cc(/C=N/N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | /C=N/N2C(= |
<|startoftext|><L>COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1<mask_1:6>1<mask_1:6> | 5 | 65 | 6 | ccccc | 5 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | COc1cc(Br)cc(C=NN2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C2)c1OCc1ccccc1 | ccccc |
<|startoftext|><L>C=C<mask_1:2>Nc1ccc(Br)cn1<mask_1:2> | 1 | 3 | 2 | C | 2 | C=CCCNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | CC |
<|startoftext|><L>C=CCNc1ccc(Br)<mask_1:1>1<mask_1:1> | 2 | 14 | 1 | cn | 1 | C=CCNc1ccc(Br)s1 | C=CCNc1ccc(Br)cn1 | s |
<|startoftext|><L>C=CCNc1ccc<mask_1:2>Br)cn1<mask_1:2> | 1 | 10 | 2 | ( | 2 | C=CCNc1ccc(BBr)cn1 | C=CCNc1ccc(Br)cn1 | (B |
<|startoftext|><L>C=CCNc1<mask_1:1>c(Br)cn1<mask_1:1> | 2 | 7 | 1 | cc | 1 | C=CCNc1sc(Br)cn1 | C=CCNc1ccc(Br)cn1 | s |
<|startoftext|><L>C=<mask_1:2>CNc1ccc(Br)cn1<mask_1:2> | 1 | 2 | 2 | C | 2 | C=CCCNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | CC |
<|startoftext|><L>C=<mask_1:1>Nc1ccc(Br)cn1<mask_1:1> | 2 | 2 | 1 | CC | 1 | C=CNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | C |
<|startoftext|><L><mask_1:1>CCNc1ccc(Br)cn1<mask_1:1> | 2 | 0 | 1 | C= | 1 | NCCNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | N |
<|startoftext|><L>C=CCNc1ccc(Br)<mask_1:1>1<mask_1:1> | 2 | 14 | 1 | cn | 1 | C=CCNc1ccc(Br)s1 | C=CCNc1ccc(Br)cn1 | s |
<|startoftext|><L>C=C<mask_1:2>CNc1ccc(Br)cn1<mask_1:2> | 0 | 3 | 2 | 2 | C=CCCCNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | CC |
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<|startoftext|><L>C=<mask_1:2>CCNc1ccc(Br)cn1<mask_1:2> | 0 | 2 | 2 | 2 | C=CCCCNc1ccc(Br)cn1 | C=CCNc1ccc(Br)cn1 | CC |
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<|startoftext|><L>Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc<mask_1:8>cc3O2)c(C)c1<mask_1:8> | 5 | 45 | 8 | (Cl)c | 8 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)c(C)cc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | (Cl)c(C) |
<|startoftext|><L>Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2<mask_1:8>)c1<mask_1:8> | 4 | 55 | 8 | )c(C | 8 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C(C)C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | )c(C(C)C |
<|startoftext|><L>Cc1ccc([C@H](C)NC(=O)[C@H]2C<mask_1:7>(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:7> | 3 | 28 | 7 | N(S | 7 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(C)N(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | N(C)N(S |
<|startoftext|><L>Cc1ccc([C@H]<mask_1:9>(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:9> | 5 | 12 | 9 | (C)NC | 9 | Cc1ccc([C@H](C)NS(=O)(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | (C)NS(=O) |
<|startoftext|><L>Cc1ccc([C@H]<mask_1:7>C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:7> | 4 | 12 | 7 | (C)N | 7 | Cc1ccc([C@H]2CCCCN2C(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | 2CCCCN2 |
<|startoftext|><L>Cc<mask_1:7>H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:7> | 8 | 2 | 7 | 1ccc([C@ | 7 | Cc1ccc([CH](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | 1ccc([C |
<|startoftext|><L><mask_1:8>c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:8> | 5 | 0 | 8 | Cc1cc | 8 | Cc1cc(C)c([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1cc(C) |
<|startoftext|><L>Cc1ccc(<mask_1:9>[C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:9> | 0 | 7 | 9 | 9 | Cc1ccc([C@H](C)C[C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | [C@H](C)C |
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<|startoftext|><L>Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)<mask_1:7>Cl)ccc3O2)c(C)c1<mask_1:7> | 8 | 38 | 7 | =O)c3cc( | 8 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | =O)c3cc( |
<|startoftext|><L>Cc1ccc([C@H](C)NC(=O)[C@H]2C<mask_1:5>)=O)c3cc(Cl)ccc3O2)c(C)c1<mask_1:5> | 9 | 28 | 5 | N(S(C)(=O | 5 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(C(N)=O)c3cc(Cl)ccc3O2)c(C)c1 | Cc1ccc([C@H](C)NC(=O)[C@H]2CN(S(C)(=O)=O)c3cc(Cl)ccc3O2)c(C)c1 | N(C(N |
<|startoftext|><L>NC(=O)C1CCN([C@H](C(=O)N2CCC<mask_1:5>2)c2ccccc2)CC1<mask_1:5> | 2 | 28 | 5 | CC | 5 | NC(=O)C1CCN([C@H](C(=O)N2CCC(O)CC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | (O)CC |
<|startoftext|><L>NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2cc<mask_1:6>CC1<mask_1:6> | 5 | 36 | 6 | ccc2) | 6 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CCC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | ccc2)C |
<|startoftext|><L>NC(=O)C1CCN([C@H](C(=O)N2C<mask_1:3>CCCC2)c2ccccc2)CC1<mask_1:3> | 0 | 26 | 3 | 3 | NC(=O)C1CCN([C@H](C(=O)N2CCCCCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | CCC |
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<|startoftext|><L>N<mask_1:6>O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1<mask_1:6> | 3 | 1 | 6 | C(= | 6 | NS(=O)(O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | S(=O)( |
<|startoftext|><L><mask_1:1>NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1<mask_1:1> | 0 | 0 | 1 | 1 | CNC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | C |
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<|startoftext|><L>NC(=O)C1CCN([C@H]<mask_1:4>=O)N2CCCCC2)c2ccccc2)CC1<mask_1:4> | 3 | 17 | 4 | (C( | 4 | NC(=O)C1CCN([C@H](CC(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | (CC( |
<|startoftext|><L>NC(=O)C1C<mask_1:4>([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1<mask_1:4> | 2 | 9 | 4 | CN | 4 | NC(=O)C1CCC=C([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | CC=C |
<|startoftext|><L>NC(=O)C1CCN([C@H](<mask_1:5>=O)N2CCCCC2)c2ccccc2)CC1<mask_1:5> | 2 | 18 | 5 | C( | 5 | NC(=O)C1CCN([C@H](CCNC(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | CCNC( |
<|startoftext|><L>NC(=O)C1CCN([C@H](<mask_1:5>O)N2CCCCC2)c2ccccc2)CC1<mask_1:5> | 3 | 18 | 5 | C(= | 5 | NC(=O)C1CCN([C@H](CNC(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | CNC(= |
<|startoftext|><L>NC(=O)C1CCN([<mask_1:4>](C(=O)N2CCCCC2)c2ccccc2)CC1<mask_1:4> | 3 | 13 | 4 | C@H | 4 | NC(=O)C1CCN([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | NC(=O)C1CCN([C@H](C(=O)N2CCCCC2)c2ccccc2)CC1 | C@@H |
<|startoftext|><L>Cc1cc(C(=O)NCc2nnc3ccccn2<mask_1:4>)n1C1CCCCC1<mask_1:4> | 5 | 25 | 4 | 3)c(C | 5 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | 3)c(C |
<|startoftext|><L>Cc1cc(C(=O)NC<mask_1:2>c2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:2> | 0 | 13 | 2 | 2 | Cc1cc(C(=O)NCCCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | CC |
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<|startoftext|><L>C<mask_1:2>1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:2> | 1 | 1 | 2 | c | 2 | CCc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc |
<|startoftext|><L>Cc1cc(C(=O)<mask_1:6>nc3ccccn23)c(C)n1C1CCCCC1<mask_1:6> | 5 | 11 | 6 | NCc2n | 6 | Cc1cc(C(=O)NCCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | NCCc2n |
<|startoftext|><L>Cc1cc<mask_1:1>NCc2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:1> | 6 | 5 | 1 | (C(=O) | 1 | Cc1cc(NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | ( |
<|startoftext|><L>Cc1<mask_1:5>C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:5> | 3 | 3 | 5 | cc( | 5 | Cc1cc(CNC(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | cc(CN |
<|startoftext|><L>Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C<mask_1:2>CC1<mask_1:2> | 4 | 34 | 2 | 1CCC | 2 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1CC1CC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | C1 |
<|startoftext|><L>Cc1cc(C(=O)<mask_1:3>nc3ccccn23)c(C)n1C1CCCCC1<mask_1:3> | 5 | 11 | 3 | NCc2n | 3 | Cc1cc(C(=O)c2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | c2n |
<|startoftext|><L>Cc1<mask_1:6>C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:6> | 3 | 3 | 6 | cc( | 6 | Cc1cc(CCNC(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | cc(CCN |
<|startoftext|><L>Cc1cc<mask_1:2>NCc2nnc3ccccn23)c(C)n1C1CCCCC1<mask_1:2> | 6 | 5 | 2 | (C(=O) | 2 | Cc1cc(CNCc2nnc3ccccn23)c(C)n1C1CCCCC1 | Cc1cc(C(=O)NCc2nnc3ccccn23)c(C)n1C1CCCCC1 | (C |
<|startoftext|><L>Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C<mask_1:2>C3)cc1<mask_1:2> | 6 | 42 | 2 | (C)C)C | 2 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | )C |
<|startoftext|><L>Cc1ccc(<mask_1:7>CCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:7> | 8 | 7 | 7 | C(=O)N2C | 7 | Cc1ccc(C(=O)N2CCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | C(=O)N2 |
<|startoftext|><L>Cc1ccc(C(=<mask_1:4>CC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:4> | 6 | 10 | 4 | O)N2CC | 4 | Cc1ccc(C(=O)N2CC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | O)N2 |
<|startoftext|><L>Cc1ccc(C(=O)N2CCCC[C@H]2c2<mask_1:5>(n2)CN(C(C)C)CC3)cc1<mask_1:5> | 8 | 26 | 5 | nc(O)c3c | 5 | Cc1ccc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | ncc3c |
<|startoftext|><L>Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)C<mask_1:4>CC3)cc1<mask_1:4> | 8 | 39 | 4 | N(C(C)C) | 4 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | N(C) |
<|startoftext|><L>Cc1ccc<mask_1:8>)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:8> | 5 | 6 | 8 | (C(=O | 8 | Cc1ccc(CCNC(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | (CCNC(=O |
<|startoftext|><L>Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)<mask_1:6>C)CC3)cc1<mask_1:6> | 0 | 45 | 6 | 6 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)C(COC)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | C)C(CO |
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<|startoftext|><L>Cc1ccc<mask_1:5>2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:5> | 7 | 6 | 5 | (C(=O)N | 5 | Cc1ccc(OCCN2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | (OCCN |
<|startoftext|><L>Cc1ccc(C(=O)N2CCC<mask_1:5>@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:5> | 3 | 17 | 5 | C[C | 5 | Cc1ccc(C(=O)N2CCCCC[C@@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | CC[C@ |
<|startoftext|><L>Cc1ccc(C(<mask_1:7>N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1<mask_1:7> | 3 | 9 | 7 | =O) | 7 | Cc1ccc(C(=O)NCCCN2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(O)c3c(n2)CN(C(C)C)CC3)cc1 | =O)NCCC |