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id stringlengths 1 4	question stringclasses 60 values	answer stringlengths 1 2.6k
1	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*n1c(N()C2CCN(*)CC2)nc2c()cc(*)cc12<sep><a>0:R[1]</a><a>1:G</a><a>5:R[5]</a><a>10:Alk</a><a>11:R[7a]</a><a>17:R[2b]</a><a>20:R[3a]</a>
2	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*C(C1C2C(=CC=CC=2)SC=1)=O<sep><a>0:<dum></a>
3	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(C1=CC=CN=C1N(C)C)*<sep><a>10:<dum></a>
4	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(C)[C@H]1CC[C@H](O*)CC1<sep><a>8:<dum></a>
5	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N[C@@H]1C[C@@H](C(O)=O)C1.*<sep><a>8:HCl</a>
6	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C()Cn1c(=O)oc2ccc(Br)cc21<sep><a>0:Me</a><a>2:NHBoc</a>
7	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	[N+]([O-])(=O)[C@]1(C)CCC(=O)N(Cc2ccccc2)C1=O<sep>
8	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCOC(=O)C(C)n1ccnc1C(=O)O<sep>
9	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCOC(C(C(OCC)=O)(C([2H])([2H])[2H])C)=O<sep>
10	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C=CCCn1ccnc1C(=O)O<sep>
11	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC(Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1<sep>
12	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(c1ccco1)[C@@H]1C(=O)c2ccccc2O[C@@H]1c1ccc(O)c(OCC2CC2)c1<sep>
13	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(C1CCS(=O)(=O)CC1)N1CCN(c2ccccn2)CC1c1cccc(F)c1F<sep>
14	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCC(=O)Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(O[C@@H]3CCN(c4ccc(OC[C@H]5CC5(F)F)cn4)C3)cc2)s1<sep>
15	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCOC(=O)c1c(NC(=O)c2c[nH]c3c(OC)cc(Cl)c(OC)c3c2=O)sc(C)c1-c1ccc(Cl)cc1<sep>
16	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCNc1nc(Cl)c(-c2ccccc2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O<sep>
17	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC1(C)C[C@H](Nc2ccc3cc(Br)ccc3c2)C(C)(C)O1<sep>
18	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1cc(C[C@@]2(C)C[C@H](c3cccc(Cl)c3)[C@@H](c3ccc(Cl)cc3)N([C@H](CS(=O)(=O)C(C)(C)C)C3CC3)C2=O)ncc1C(=O)O<sep>
19	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCCCCCCCCCCCCCCCOCCCOP(=O)(O)COC(COCC)Cn1cnc2c(N)ncnc12<sep>
20	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(N/N=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1cc(I)ccc1Cl<sep>
21	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C[C@@H](NCCCC#N)c1cscc1Br<sep>
22	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(O)CCC(C(=O)O)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1<sep>
23	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	COc1ccc(NC(=S)NC(=O)c2ccccc2)cn1<sep>
24	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	COc1cc(C)c(N2CC(C)(CO)C2)c(C)c1<sep>
25	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1cc(O)c(C(=O)/C=C/c2ccc(Cl)c(Cl)c2)c(=O)o1<sep>
26	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC(=O)NS(=O)(=O)c1ccc(-n2ccc3c(c2=O)C(=O)OC3(C)C)cc1<sep>
27	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C[C@]12CCC(=O)CC1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)[C@H](CCCO)C[C@@H]12<sep>
28	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1nc2ccc(Oc3ccc4ncsc4c3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1<sep>
29	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC1=CC=C[CH]N1Cc1cccc(C)c1<sep>
30	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)NCC(=O)NCC(F)(F)F<sep>
31	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCN(CC)C(=O)N1CCN(CCc2ccncc2)CC1<sep>
32	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CSc1ccccc1NCCCCCC(=O)O<sep>
33	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*c1ccc2c(c1)OC/C(=C\c1ccc(O)c(O)c1)C2=O<sep><a>0:OCH3</a>
34	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O[Si]()(C)Cc1ccc(Br)cc1<sep>\|Sg:n\|
35	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	c1cc(Cl)c(Nc2c()cnc3cc4cc(OCCN5CCC(O)CC5)c()cc4cc23)cc1<sep><a>0:Me</a><a>9:CN</a><a>28:OMe</a><a>35:OMe</a>
36	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1cn(CCOc2ccc(Cl)cc2)c(=O)n(Cc2ccccc2)c1=O<sep>
37	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	COc1ccc2c(c1)CCc1c(C(=O)Nc3cc(OC)c(Cl)cc3OC)noc1-2<sep>
38	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCc1cc(OCCCCCCCCCCCC)c(C()=O)cc1C<sep>\|Sg:n\|
39	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C()=CCC/C()=C/CC/C()=C/CSc1ccccc1C(=O)OCCCCCCOc1no[n+]([O-])c1S(*)(=O)=O<sep><a>0:CH3</a><a>2:CH3</a><a>7:CH3</a><a>12:CH3</a><a>39:Ar</a>
40	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC(C)(C)C1C(=O)N(c2ccccc2C)C(=O)C1<sep>\|Sg:n\|
41	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*1:c(S(=O)(=O)Nc2cc()on2)c()c(*)c1[N+](=O)[O-]<sep><a>0:R[11]</a><a>1:Y</a><a>2:W</a><a>11:R[4d]</a><a>15:G[4]</a><a>17:Hyy</a>
42	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCNc1nc(NCC)n2c(SCC(=O)Nc3ccccc3F)nnc2n1<sep>
43	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	c1ccc2c(c1)ccc1ccc3c4ccc5c(ccc6c7ccccc7c7ccc8ccccc8c7c65)c4c4ccccc4c3c12<sep>
44	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*S(=O)(=O)c1nnc(N()C(=)C2()C()C2*)s1<sep><a>0:<dum></a><a>1:R[b]</a><a>10:Q</a><a>12:W</a><a>14:R[3]</a><a>16:R[3]</a><a>17:R[T]</a><a>19:R[14]</a>
45	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCCCCCCCCCCC(=O)NCCCCCCCCCCCCCC/C=C/COCC(=O)O<sep>\|Sg:n\|
46	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	[Ge]()()CCCCCCCCCCOc1ccc(-c2ccc(-c3ccc(COC)cc3)cc2)cc1<sep><a>3:CH3</a><a>30:Am</a>\|Sg:n\|
47	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	b1c2c(cc3c1c1cc4cc5ccc6c(c5cc4cc1c1ccccc31)=CC=6)-c1occc1-2<sep>
48	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	c1cn2cc(-c3cc4ccc(N5CCNCC5)cc4oc3=O)nc2c()n1<sep><a>0:Me</a><a>26:Me</a>
49	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCOCCOCC(C)OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1<sep>\|Sg:n\|
50	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*1c()ccc(-c2nc(C()c3()c()ccc3)sc2C()C(=O)O)c1*<sep><a>0:R[13]</a><a>1:Z</a><a>3:X</a><a>11:R[8]</a><a>13:Y</a><a>14:R[3]</a><a>16:R[2]</a><a>20:R[4]</a><a>24:Q</a><a>29:R[7]</a><r>0:R[15]?r</r>
51	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*1C=C()C(C()N()C(=O)c2()ccn2C()c2ccc()c2)=C1<sep><a>0:R[12]</a><a>1:Q</a><a>3:X</a><a>5:W[6]</a><a>8:R[5]</a><a>10:R[13]</a><a>14:R[4]</a><a>15:Hal</a><a>20:R[c]</a><a>23:M</a><a>26:R[5c]</a><a>28:M</a><a>30:R[1]</a>
52	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	COc1ccc(-c2ccc3[nH]c(=O)c4nnn(-c5ccc(N6CCNCC6)c(C)c5)c4c3c2)cn1<sep>
53	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Oc1ccc(Oc2ccc(C(=O)c3ccc(C(=O)c4ccc(Oc5ccc()cc5)cc4)cc3)cc2)cc1C(C)(C)C<sep>\|Sg:n\|
54	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	OC()CCOC(=O)Nc1cc(Br)cc(Oc2ccc(C(*)=O)cc2)c1<sep><a>3:CH3</a>\|Sg:n\|
55	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Oc1ccc(/C=C/Nc2ccc(/C=C/c3ccc(OCCC()=O)cc3)cc2)cc1<sep>\|Sg:n\|
56	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*(c1c2c(()c1)CC()N()C2)S(=O)(=O)c1c()c()c(*)c1<sep><a>0:R[6y]</a><a>1:Q'</a><a>3:R[6]</a><a>6:R[7]</a><a>7:R[17]</a><a>9:R[5]</a><a>12:Yev</a><a>14:R[3b]</a><a>20:Z</a><a>22:R[5]</a><a>24:R[4]</a><a>26:R[11]</a>
57	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCn1c(()()C()()c2ccc(NC(=O)N()c3cc4c(c3)OC()O4)cc2)nc2c()c()()c12<sep><a>0:R[9]</a><a>5:X"</a><a>6:R[8]</a><a>7:R[15]</a><a>9:R[16]</a><a>10:R[36]</a><a>19:R[13]</a><a>22:R[3]</a><a>28:R[34]</a><a>34:R[9]</a><a>36:R[8]</a><a>38:R[14]</a><a>39:R[2]</a><a>40:R[2]</a><r>1:R[44]</r>
58	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=P1(CO*)O[C@H](C2C=C(Cl)C=CC=2)CCO1<sep><a>4:<dum></a>
59	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC(OC(N[C@H]([C@@H](CNC[C@H]([C@@H](NC([C@@H](C(C)C)NC(OCC1C=CC(C2C=CC=CC=2)=CC=1)=O)=O)CC1C=CC=CC=1)O)O)CC1C=CC=CC=1)=O)(C)C<sep>
60	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C=C2C(C=CC=N2)=CN=1<sep>
61	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C([C@@H](CC1CCC1)O)*<sep><a>9:OBn</a>
62	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=c1oc(=O)c2c1c1ccccc1c1cc3c(cc21)c1ccccc1c1c3c(=O)oc1=O<sep>
63	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1(C(F)(F)F)C=C(C2N(C)N=CC=2)C(C2C3C(=CC(=CC=3)S(NC3SN=CN=3)(=O)=O)N(C(=O)OC)C=2)=CC=1<sep>
64	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*[C@@H](CCCc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O)C(=O)Nc1ccc(C)c(Cl)c1<sep><a>0:NHAc</a>
65	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C(N1CCC1)NC1N=CC=C(OC2C=C(F)C(NC(C3(CC3)C(NC3C=CC(F)=CC=3)=O)=O)=CC=2)C=1<sep>
66	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C=C(NC2SC(C(NC3=C(Cl)C=CC=C3C)=O)=CC=2)N=C(NCCCCCN2CCCC2)C=1<sep>
67	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*C(CO)=O<sep><a>0:<dum></a>
68	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(F)(F)(F)C1=NN(C2CCC(O)CC2)C=C1<sep>
69	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(Cn1c(/C(N)=N/O)cc2c(Br)cccc12)(F)(F)F<sep>
70	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C12=C()C()=C()C()=C1C=C(C(O)=O)S2<sep><a>2:R1</a><a>4:R2</a><a>6:R3</a><a>8:R4</a>
71	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C=CC2=NNC=C2C=1<sep>
72	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	O=C1N[C@@H](c2c(O)ccc(Cl)c2Cl)CN1C[C@@H](O)CO<sep>
73	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(N)()()<sep><a>2:R</a><a>3:R</a><a>4:R</a><a>5:Z</a>
74	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C=C(O)OB()*<sep><a>3:Ar</a><a>6:c</a><a>7:c</a>
75	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C(*)=[O+]C=C([O-])C=1OC<sep><a>2:R[1]</a>
76	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)C(=O)O<sep>
77	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(#N)C1C(Cl)=C(C)C(N[C@H]([C@H](O*)C)C2OC(C)=NN=2)=CC=1<sep><a>12:TBDMS</a>
78	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N#Cc1cnc2c(c1)CCC[C@@H]2Oc1ccc2cnn(-c3ccnc(N4C[C@@H]5C[C@]5(CO)C4)c3)c2c1<sep>
79	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*CC#C<sep><a>0:<dum></a>
80	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N1()C=NC()=C1*<sep><a>1:R[2]</a><a>5:R[4]</a><a>7:R[1]</a>
81	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	Cc1c(C(=O)N(C)CCc2ccccn2)oc2nc(C(C)C)nn12<sep>
82	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC1(C)OB(c2cncc(C(C)(C)C)c2)OC1(C)C<sep>
83	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	c1cc(Br)c(CO)cc1N()*<sep><a>0:CO2Me</a><a>11:R[9]</a><a>12:R[9]</a>
84	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C()OC()CN1*<sep><a>2:R[^2]</a><a>5:R[^3]</a><a>8:R[^1]</a>
85	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N1(ccC2=CN=CN=C12)*<sep><r>0:R[3A]?n</r><r>1:R[3A]?n</r><a>9:<dum></a>
86	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N(CCCC(=O)O[C@]1(CC)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2[Si](C(C)(C)C)(C)C)C(=O)OC(C)(C)C<sep>
87	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1C=C2CCCOC2=CC=1<sep><r>0:R</r>
88	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*N1C2=C(=C(=2)C(O)=O)C()()1<sep><a>0:R[6]</a><a>1:L</a><a>5:X[1]</a><a>6:X[2]</a><a>8:X[3]</a><a>11:R</a><a>14:R[9]</a><a>15:<dum></a><a>16:R[10]</a><a>17:<dum></a><a>18:Q</a>
89	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC(C)c1cc(Oc2c(Cl)cc(N)cc2Cl)n[nH]c1=O<sep>
90	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(C12OC(CC1=O)OCC2C=C)(OC)=O<sep>
91	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C(c1ccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)cc1)(=O)O<sep>
92	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1(C=O)(CC1)O<sep>
93	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	S(c1nccc(Cl)n1)(C)(=O)=O<sep>
94	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CCCc1cnc(NC(=O)c2ccc(-c3nc([C@@H]4CCCCN4C(=O)/C=C/OC)n4ccnc(N)c34)cc2)cc1<sep>
95	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CC([C@@H](C)N*)C<sep><a>5:<dum></a>
96	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	C1()=C()C()=C()*1<sep><a>1:R[A]</a><a>3:<dum></a><a>5:R[A]</a><a>7:R[A]</a><a>8:X</a>
97	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	CNC(=O)c1cc(Oc2ccc3nc(N[C@@H]4CCCC[C@H]4O)sc3c2)ccn1<sep>
98	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	*/C=C/COC(=O)OC<sep><a>0:R</a>
99	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	N(*)[C@H]1[C@H]2CC3C=C(/C=C/CN4CCOCC4)C=CC=3C[C@@H]1CC2<sep><a>1:Boc</a>
100	<image>Please write the Extended SMILES (E-SMILES) of the given molecule image. Below is the definition of Extended SMILES (E-SMILES) Format Writing Rules: The Extended SMILES (E-SMILES) format used in the MolParser paper is designed to augment a standard RDKit-compatible SMILES string with additional machine-readable annotations, especially useful for representing Markush structures, abstract rings, repeating groups, and other extensions commonly seen in chemical patents. The general form of an E-SMILES string is: SMILES<sep>EXTENSION # Components: 1. SMILES This is a valid RDKit-compatible SMILES string. To ensure consistency, the atom indexing starts from 0. You can generate this using RDKit with rootedAtAtom=0. 2. <sep> A special delimiter separating the base SMILES string from the extension part. 3. EXTENSION The extension part contains structured XML-like tokens providing additional information. These tokens annotate atom positions, ring positions, and other special features. There are three types of tags: <a>ATOM_INDEX:[GROUP_NAME]</a> — attaches a group to a specific atom. <r>RING_INDEX:[GROUP_NAME]</r> — attaches a group to any position on a ring. <c>CIRCLE_INDEX:[CIRCLE_NAME]</c> — defines abstract repeating rings. A special token <dum> can be used to represent a connection point. # Definitions: ATOM_INDEX: Index of the atom in the SMILES string (starting from 0). RING_INDEX: Index of the ring in the molecule (starting from 0). CIRCLE_INDEX: Index of the abstract repeating ring (starting from 0). GROUP_NAME: The name of the substituent or group, which may be: A standard group: R, X, Y, Z, Ph, Me, OMe, CF3, etc. An arbitrary or custom-defined group with superscripts or subscripts, e.g., R[1], X[2], R1, R₃. # Examples: (1)c1ccccc1<sep><a>0:R[1]</a> → Adds substituent R[1] to atom 0. (2)clccecc1<sep><r>0:R[1]</r><r>0:R[2]</r> → Adds two substituents R[1], R[2] to ring 0. (3)C1C()C(C()C2=CC=N=C2)N=1<sep><a>0:R[4]</a><a>1:X</a><r>1:R[5]</r> → Complex structure with atom-level and ring-level substitutions. (4)c(NC()C()C()C()C(=O)N(*)<sep><a>0:R[1]</a><a>2:R[3]</a><a>5:R[2]</a><a>7:R[5]</a><a>8:R[4]</a><c>0:B</c><a>13:R[7]</a><a>14:R[6]</a> → Shows the usage of abstract ring <c>, with multiple atom-level substitutions.	COC(=O)N1C[C@]([C@H](C)O)(C)[C@H](C2=CC=C(OC)C(OC3CCCC3)=C2)C1<sep>

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