introvoyz041/EChem-Explorations huggingface dataset:
SMILES: CC(=O)NC(Cc1ccccc1)C(=O)O
Reactivity: 1.0
SMILES: O=c1c2ccccc2oc2ccccc12
Reactivity: 0.0
SMILES: O=C(NC1CCCC1)c1ccccc1
Reactivity: 0.0
SMILES: CCOC(C(=O)c1ccccc1)c1ccccc1
Reactivity: 0.0
SMILES: CC(=O)N1CCCC1
Reactivity: 1.0
SMILES: COC(=O)C1(NC(=O)c2ccccc2)CCCCC1
Reactivity: 1.0
SMILES: CCCCC(=O)c1ccccc1
Reactivity: 1.0
SMILES: O=C1CNCCN1
Reactivity: 0.0
SMILES: O=c1cc(-c2ccccc2)oc2ccccc12
Reactivity: 0.0
SMILES: CCCCCCC=CC(C)(C)O
Reactivity: 1.0
SMILES: COC(=O)C12CCC(C)(C)CC1C1=CCC3C4(C)CCC(O)C(C)(C)C4CCC3(C)C1(C)CC2
Reactivity: 1.0
SMILES: O=C(O)c1c[nH]c2c(ccc3ccccc32)c1=O
Reactivity: 0.0
SMILES: CCc1ccc(Br)cc1
Reactivity: 1.0
SMILES: O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
Reactivity: 0.0
SMILES: O=c1c2ccccc2c2nc3ccc4c(=O)c5ccccc5c5nc6ccc1c2c6c3c45
Reactivity: 0.0
SMILES: CC1=C(C)C(=O)CCC1
Reactivity: 1.0
SMILES: c1ccc2c(c1)ccc1c3ccccc3ccc21
Reactivity: 0.0
SMILES: Cc1ccc(Oc2ccc(C)cc2)cc1
Reactivity: 0.0
SMILES: Cc1ccc2ncccc2c1
Reactivity: 1.0
SMILES: Cc1ccc2ccccc2n1
Reactivity: 1.0
SMILES: COc1cccc(OC)c1C
Reactivity: 1.0
SMILES: COc1cc(C)ccc1C
Reactivity: 1.0
SMILES: O=Cc1ccc2c3cccc4cccc(c5cccc1c52)c43
Reactivity: 0.0
SMILES: COC(=O)C1(C)CCCCC1
Reactivity: 1.0
SMILES: Brc1ccc2c(c1)CCCO2
Reactivity: 1.0
SMILES: Nc1ccc(N)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: O=C1c2cccc([N+](=O)[O-])c2C(=O)c2c1cccc2[N+](=O)[O-]
Reactivity: 0.0
SMILES: O=C(c1ccccc1)N(C1CCCCC1)C1CCCCC1
Reactivity: 0.0
SMILES: COC(=O)C1(C)CCCC2(C)c3ccc(C(C)C)cc3CCC12
Reactivity: 1.0
SMILES: CCCc1cccs1
Reactivity: 1.0
SMILES: CC1(C)C(=O)NC2=C1C(=O)C(=O)c1ccccc12
Reactivity: 0.0
SMILES: NC1=NC(=O)C(=Cc2ccc(O)cc2)S1
Reactivity: 0.0
SMILES: N#Cc1c(C#N)c(O)c2ccccc2c1O
Reactivity: 0.0
SMILES: O=C(Cl)C1CCCCC1
Reactivity: 0.0
SMILES: CCc1ccccc1CC
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2c(F)ccc(F)c21
Reactivity: 0.0
SMILES: Nc1ccc(Br)cc1
Reactivity: 0.0
SMILES: CCOC(=O)c1ccc(C#N)cc1
Reactivity: 0.0
SMILES: CCC1(c2cnc[nH]2)Cc2ccccc2C1
Reactivity: 0.0
SMILES: O=C1c2ccccc2C(=C2c3ccccc3C(=O)c3ccccc32)c2ccccc21
Reactivity: 0.0
SMILES: Oc1ccc2c(ccc3ccccc32)c1
Reactivity: 0.0
SMILES: CC(C)(Oc1ccc(Cl)cc1)C(=O)O
Reactivity: 0.0
SMILES: Cc1ccc(CCc2ccc(C)cc2)cc1
Reactivity: 1.0
SMILES: O=C1c2ccccc2C(=O)c2cc(O)ccc21
Reactivity: 0.0
SMILES: CC(C)C1CCC2C(=O)CCC(C)C2(C)C1
Reactivity: 1.0
SMILES: CC1=C2CC(C(C)(C)O[Si](C)(C)C)CCC2(C)CCC1
Reactivity: 1.0
SMILES: Nc1cc2ccccc2cc1O
Reactivity: 0.0
SMILES: O=C(c1ccccc1)c1ccncc1
Reactivity: 0.0
SMILES: Nc1ccc2c(c1)C(=O)c1ccc(N)cc1C2=O
Reactivity: 0.0
SMILES: ON=Cc1ccccc1
Reactivity: 0.0
SMILES: CC(=O)CCC1C(C)CCCC1(C)C
Reactivity: 1.0
SMILES: CNc1ccc(Br)c2c1C(=O)c1ccccc1C2=O
Reactivity: 0.0
SMILES: CCCCC#CC(C)(C)O
Reactivity: 1.0
SMILES: CCCCCCc1ccccc1
Reactivity: 1.0
SMILES: Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2ccccc2C3=O)cc1
Reactivity: 0.0