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a |
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b/toy_data/AID1706.txt |
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1 |
SGFKKLVSPSSAVEKCIVSVSYRGNNLNGLWLGDSIYCPRHVLGKFSGDQWGDVLNLANNHEFEVVTQNGVTLNVVSRRLKGAVLILQTAVANAETPKYKFVKANCGDSFTIACSYGGTVIGLYPVTMRSNGTIRASFLAGACGSVGFNIEKGVVNFFYMHHLELPNALHTGTDLMGEFYGGYVDEEVAQRVPPDNLVTNNIVAWLYAAIISVKESSFSQPKWLESTTVSIEDYNRWASDNGFTPFSTSTAITKLSAITGVDVCKLLRTIMVKSAQWGSDPILGQYNFEDELTPESVFNQVGGVRLQ |
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2 |
CCOC1=CC=C(C=C1)N2C=CC(=O)C(=N2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4 0 |
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3 |
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)/C=C/C2=CC=CS2 0 |
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4 |
COC1=C(C=C(C=C1)C(=O)NC2CCSC3=CC=CC=C23)F 0 |
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5 |
C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)SCC(=O)NC3=CC=C(C=C3)OC(F)(F)Cl)C#N 1 |
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6 |
CC(=O)NC1C2=C(C=CC(=C2)Cl)N(C1=O)CCN3CCOCC3.Cl 1 |
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7 |
CC1=CC=C(C=C1)C(=O)NC(=C(Cl)Cl)S(=O)(=O)C2=CC=CC=C2 1 |
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8 |
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC3=CC=C(C=C3)C(=O)O 1 |
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9 |
C1=CC=C2C(=C1)C(=CC(=C2N)C(C(F)(F)F)(C(F)(F)F)O)C(C(F)(F)F)(C(F)(F)F)O 1 |
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10 |
COC1=CC=CC=C1CSC2=NC3=CC=CC=C3N2 0 |
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11 |
CC(=O)NC1=CC=C(C=C1)N(C(C2=CC(=C(C=C2)O)O)C(=O)NC3CCCC3)C(=O)CN4C5=CC=CC=C5N=N4 1 |
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12 |
CC1=CC=NC2=NC(=NN12)C(=O)OCCOC3=CC=CC=C3 0 |
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13 |
CC1(C2CC=C(C1C2)/C=N/NC(=S)NC3=CN=CC=C3)C 1 |
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14 |
CCOC(=O)C1=C(OC2=C(C13C4=C(C=CC5=C4N(C3=O)C(C=C5C)(C)C)C)C(=O)CCC2)N 0 |
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15 |
C1CN(CCC12OCCO2)C3=NC=NC4=C3NC5=C4C=C(C=C5)Cl 0 |
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16 |
CC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=C(C=C4)C(=O)O)SC=C3 1 |
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17 |
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=CC(=C2)Br)OC(=O)C3=CC=CO3 1 |
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18 |
CC(C)NC(=O)CN1CCN(CC1)C2=NC=CC=N2.C(=O)(C(=O)O)O 1 |
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19 |
CC1=C(C(NC(=O)N1CCCC(=O)O)C2=CC=C(C=C2)Cl)C(=O)OCC3=CC=CC=C3 0 |
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20 |
CC1=CC=CC=C1NC2=C/C(=N\S(=O)(=O)C3=CC=C(C=C3)C(=O)O)/C4=CC=CC=C4C2=O 1 |
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21 |
CC(C)OC1=C(C=C(C(=C1)NC(=O)CSCC(=O)NC2=CC=CC(=C2)C(F)(F)F)Cl)Cl 1 |
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22 |
CC1=CC=CC=C1NC2=NN=C(S2)SCC(=O)NC3=C(C=C(C=N3)C(F)(F)F)Cl 1 |
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23 |
C1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NC4=CC=C(C=C4)C(=O)O 1 |
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24 |
C1=CC2=NON=C2C(=C1)S(=O)(=O)NC3=C(C=CC(=C3)F)F 1 |
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25 |
COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC(=O)NC4=CC=CC=C43 1 |