orthonym.rules.bridged_fused_pin.parent_table

Note

Internal API. Names and behaviour may change between releases.

Fused ring parents whose names the Blue Book prints as PINs and the engine’s other parent tables do not number: name -> (the Blue Book line, OPSIN input name, OPSIN SMILES, OPSIN locants in SMILES atom order).

(the Blue Book): fused mancude systems “that have no accepted retained or

systematic name described in sections and are named by prefixing to the name of a component ring or ring system (the parent component) designations of the other component(s)”. Each name below is printed in the book as a PIN, or as the fused ring system of a PIN (the line cited holds it): retained and systematic names of / (Tables 2.7, 2.8, 2.9, the series, the heteranthrenes and pheno…ines), the

benzo names, and the fused ring systems of the PIN-marked fusion names (a name

printed only inside a larger PIN, as ‘naphtho[2,3-c][1]benzazocine’ in ‘1,4-methano-10,13-pentanonaphtho[2,3-c][1]benzazocine (PIN)’:19904, or with a suffix or a lambda-convention locant, cites that line). A name is used only for the element-aware skeleton OPSIN 2.9.0 builds from it; the structure and the numbering are OPSIN’s own (<name> -o extendedsmi, its $_AV locants), as for the catalogue maps of data/fused_heterocycles.py. tests/unit/rules/test_bf_s2b_parent_table.py reads every entry back with OPSIN.

Fourteen entries rest on the isomer notes of Table 2.8, not on a line that marks the isomer itself as a PIN::11523 “1,7-isomer shown; the PIN is 1,7-phenanthroline; other isomers are: 1,8-; 1,9-; 1,10-; 2,7-; 2,8-; 2,9-; 3,7-; 3,8-; 4,7-” and:11563 “(1,5-isomer shown; the PIN is 1,5-naphthyridine; other isomers are 1,6-; 1,7-; 1,8-; 2,6-; 2,7-)”. They are read as the

(:11505) retained name, “used for parent components”, with the isomer’s locants (of

the fourteen, only 2,6-naphthyridine is also printed in a PIN,:42288).

Kept out: systems with an interior atom,:12658: interior atoms take the locant of the nearest peripheral atom with a superscript, a numbering OPSIN 2.9.0 does not give), names OPSIN 2.9.0 cannot read, skeletons the older tables already name, and a two-ring ‘benzo[x]’ fusion name of a heterocycle, whose PIN is the benzo name (:11815).:32546 marks both ‘hexahydro-2-benzothiophene-1,3-dione (PIN)’ and ‘hexahydrobenzo[c]thiophene-1,3-dione (PIN)’;:32553 marks only ‘3-sulfanylidene-2-benzothiophen-1-one (PIN)’; the table keeps ‘2-benzothiophene’.

orthonym.rules.bridged_fused_pin.parent_table.BB_PARENTS: Dict[str, Tuple[int, str, str, Tuple[str, ...]]] = {'1,10-phenanthroline': (11523, '1,10-phenanthroline', 'N1=CC=CC2=CC=C3C=CC=NC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '1,2,3-benzoxadithiole': (11250, '1,2,3-benzoxadithiole', 'O1SSC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,2-benzodithiole': (10312, '1,2-benzodithiole', 'S1SCC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,2-benzoxazole': (13449, '1,2-benzoxazole', 'O1N=CC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3,2-benzodiazaphosphinine': (10917, '1,3,2-benzodiazaphosphinine', 'N1=PN=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '1,3,2-benzodioxabismole': (39298, '1,3,2-benzodioxabismole', 'O1[BiH]OC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3,2-benzodioxagermole': (28202, '1,3,2-benzodioxagermole', 'O1[GeH2]OC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3,2-benzodioxaphosphole': (46227, '1,3,2-benzodioxaphosphole', 'O1POC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3,2-benzodioxathiole': (10913, '1,3,2-benzodioxathiole', 'O1SOC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3,2-benzoxazaphosphole': (11230, '1,3,2-benzoxazaphosphole', 'O1P=NC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3-benzimidazole': (12600, '1,3-benzimidazole', 'N1=CNC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3-benzodioxine': (14462, '1,3-benzodioxine', 'O1COCC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '1,3-benzodioxole': (10756, '1,3-benzodioxole', 'O1COC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,3-benzodithiole': (10312, '1,3-benzodithiole', 'S1CSC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1,4-benzodioxine': (10770, '1,4-benzodioxine', 'O1C=COC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '1,4-benzodithiocine': (41698, '1,4-benzodithiocine', 'S1C=CSC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '6a', '10a', '10', '9', '8', '7')), '1,5-benzodithiepine': (14549, '1,5-benzodithiepine', 'S1CC=CSC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '5a', '9a', '9', '8', '7', '6')), '1,5-benzothiazepine': (49307, '1,5-benzothiazepine', 'S1C=CC=NC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '5a', '9a', '9', '8', '7', '6')), '1,5-naphthyridine': (11563, '1,5-naphthyridine', 'N1=CC=CC2=NC=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '1,6-naphthyridine': (11563, '1,6-naphthyridine', 'N1=CC=CC2=CN=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '1,7-naphthyridine': (11563, '1,7-naphthyridine', 'N1=CC=CC2=CC=NC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '1,7-phenanthroline': (11523, '1,7-phenanthroline', 'N1=CC=CC2=CC=C3N=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '1,8-naphthyridine': (11563, '1,8-naphthyridine', 'N1=CC=CC2=CC=CN=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '1,8-phenanthroline': (11523, '1,8-phenanthroline', 'N1=CC=CC2=CC=C3C=NC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '1,9-phenanthroline': (11523, '1,9-phenanthroline', 'N1=CC=CC2=CC=C3C=CN=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '1-benzazocine': (14377, '1-benzazocine', 'N1=CC=CC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '6a', '10a', '10', '9', '8', '7')), '1-benzoborole': (41122, '1-benzoborole', 'B1C=CC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '1-benzoselenopyran': (17008, '1-benzoselenopyran', '[Se]1CC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '1-benzotelluropyran': (17010, '1-benzotelluropyran', '[Te]1CC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2,1,3-benzoxadisiline': (21209, '2,1,3-benzoxadisiline', '[SiH2]1O[SiH]=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2,1,4-benzoxadisiline': (21209, '2,1,4-benzoxadisiline', '[SiH2]1OC=[SiH]C2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2,1-benzazaborole': (42437, '2,1-benzazaborole', 'B1N=CC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '2,1-benzoxathiole': (46314, '2,1-benzoxathiole', 'S1OCC2=C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '2,3-benzoxazine': (10318, '2,3-benzoxazine', 'C1ON=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2,4,3-benzodioxaplumbepine': (31587, '2,4,3-benzodioxaplumbepine', 'C=1O[PbH2]OC=C2C1C=CC=C2', ('1', '2', '3', '4', '5', '5a', '9a', '9', '8', '7', '6')), '2,5-benzodioxocine': (32187, '2,5-benzodioxocine', 'C=1OC=COC=C2C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '6a', '10a', '10', '9', '8', '7')), '2,6-naphthyridine': (11563, '2,6-naphthyridine', 'C1=NC=CC2=CN=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '2,7-naphthyridine': (11563, '2,7-naphthyridine', 'C1=NC=CC2=CC=NC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), '2,7-phenanthroline': (11523, '2,7-phenanthroline', 'C1=NC=CC2=CC=C3N=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '2,8-phenanthroline': (11523, '2,8-phenanthroline', 'C1=NC=CC2=CC=C3C=NC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '2,9-phenanthroline': (11523, '2,9-phenanthroline', 'C1=NC=CC2=CC=C3C=CN=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '2-benzoselenopyran': (17020, '2-benzoselenopyran', 'C1[Se]C=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2-benzotelluropyran': (17022, '2-benzotelluropyran', 'C1[Te]C=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '2-benzothiophene': (32546, '2-benzothiophene', 'C=1SC=C2C1C=CC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), '2-benzothiopyran': (17018, '2-benzothiopyran', 'C1SC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '3,1,5-benzoxadiarsepine': (20912, '3,1,5-benzoxadiarsepine', '[As]1=COC=[As]C2=C1C=CC=C2', ('1', '2', '3', '4', '5', '5a', '9a', '9', '8', '7', '6')), '3,1-benzoxazine': (7645, '3,1-benzoxazine', 'N=1COC=C2C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '3,7-phenanthroline': (11523, '3,7-phenanthroline', 'C1=CN=CC2=CC=C3N=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '3,8-phenanthroline': (11523, '3,8-phenanthroline', 'C1=CN=CC2=CC=C3C=NC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '3-benzazacycloundecine': (11835, '3-benzazacycloundecine', 'C1=CNC=CC=CC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '9a', '13a', '13', '12', '11', '10')), '4,1,2-benzoxadiazine': (14327, '4,1,2-benzoxadiazine', 'N1=NCOC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), '4,7-phenanthroline': (11523, '4,7-phenanthroline', 'C1=CC=NC2=CC=C3N=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), '5,12-benzodioxacyclooctadecine': (11831, '5,12-benzodioxacyclooctadecine', 'C1=CC=COC=CC=CC=COC=CC=CC2=C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11', '12', '13', '14', '15', '16', '16a', '20a', '20', '19', '18', '17')), '9,2,5-benzoxathiaazacyclododecine': (11839, '9,2,5-benzoxathiaazacyclododecine', 'C=1SC=CN=CC=COC=C2C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '10a', '14a', '14', '13', '12', '11')), '[1,2]benzoxazolo[6,5-g]quinoline': (13449, '[1,2]benzoxazolo[6,5-g]quinoline', 'O1N=CC=2C1=CC1=CC=3C=CC=NC3C=C1C2', ('1', '2', '3', '3a', '11a', '11', '10a', '10', '9a', '9', '8', '7', '6', '5a', '5', '4a', '4')), '[1,2]dithiolo[5,1-e][1,2]dithiole': (14545, '[1,2]dithiolo[5,1-e][1,2]dithiole', 'S1S2C(=CC1)C=CS2', ('1', '7', '3a', '3', '2', '4', '5', '6')), '[1,2]oxazolo[5,4-c][1,3]oxazolo[3,2-a]pyridine': (13074, '[1,2]oxazolo[5,4-c][1,3]oxazolo[3,2-a]pyridine', 'O1NC=C2C1=C1N(C=C2)C=CO1', ('1', '2', '3', '3a', '9b', '9a', '6', '5', '4', '7', '8', '9')), '[1,3,2]dioxaborolo[4,5-d]imidazole': (37248, '[1,3,2]dioxaborolo[4,5-d]imidazole', 'O1BOC2=C1N=CN2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), '[1,3,2]oxathiazolo[4,5-d][1,2,3]oxathiazole': (12416, '[1,3,2]oxathiazolo[4,5-d][1,2,3]oxathiazole', 'O1SNC2=C1ONS2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), '[1,3,4,2]dioxazaborolo[4,5-a]pyridine': (42435, '[1,3,4,2]dioxazaborolo[4,5-a]pyridine', 'O1BON2C1=CC=CC2', ('1', '2', '3', '4', '8a', '8', '7', '6', '5')), '[1,3]benzimidazolo[1,2-b][2,1]benzazaborole': (42437, '[1,3]benzimidazolo[1,2-b][2,1]benzazaborole', 'C1=CC=CC2=C1N=C1N2BC2=C1C=CC=C2', ('1', '2', '3', '4', '4a', '11a', '11', '10b', '5', '6', '6a', '10a', '10', '9', '8', '7')), '[1,3]dioxolo[4,5-b]oxepine': (14589, '[1,3]dioxolo[4,5-b]oxepine', 'O1COC=2OC=CC=CC21', ('1', '2', '3', '3a', '4', '5', '6', '7', '8', '8a')), '[1,3]dioxolo[4,5-c][1,2]oxaphosphole': (19786, '[1,3]dioxolo[4,5-c][1,2]oxaphosphole', 'P=1OC=C2C1OCO2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), '[1,3]dioxolo[4,5-c]pyran': (10172, '[1,3]dioxolo[4,5-c]pyran', 'O1COC=2COC=CC21', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), '[1,3]dioxolo[4,5-d][1,2]oxaphosphole': (12296, '[1,3]dioxolo[4,5-d][1,2]oxaphosphole', 'O1P=CC2=C1OCO2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), '[1,3]oxathiolo[5,4-b]pyrrole': (12556, '[1,3]oxathiolo[5,4-b]pyrrole', 'S1COC=2NC=CC21', ('1', '2', '3', '3a', '4', '5', '6', '6a')), '[1,3]selenazolo[5,4-d][1,3]thiazole': (12311, '[1,3]selenazolo[5,4-d][1,3]thiazole', 'S1C=NC2=C1N=C[Se]2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), "[1,4,7,10]tetraoxacyclohexadecino[13,12-b:14,15-b']dipyridine": (13554, "[1,4,7,10]tetraoxacyclohexadecino[13,12-b:14,15-b']dipyridine", 'C=1C=2C(N=CC1)=C1N=CC=CC1=COC=COC=COC=COC2', ('1', '20a', '4a', '4', '3', '2', '4b', '5', '6', '7', '8', '8a', '9', '10', '11', '12', '13', '14', '15', '16', '17', '18', '19', '20')), '[1,4]diazocino[2,3-g]cinnoline': (14369, '[1,4]diazocino[2,3-g]cinnoline', 'N1=NC=CC2=CC3=C(C=C12)N=CC=CC=N3', ('1', '2', '3', '4', '4a', '5', '5a', '11a', '12', '12a', '11', '10', '9', '8', '7', '6')), '[1,4]dioxepino[2,3-g]indole': (49192, '2H-[1,4]dioxepino[2,3-g]indole', 'O1CC=COC=2C=CC=3C=CNC3C21', ('1', '2', '3', '4', '5', '5a', '6', '7', '7a', '8', '9', '10', '10a', '10b')), '[1,4]dioxocino[2,3-c][1,6]dioxecine': (32191, '[1,4]dioxocino[2,3-c][1,6]dioxecine', 'O1C=CC=COC=2C1=COC=CC=COC2', ('1', '2', '3', '4', '5', '6', '6a', '14a', '14', '13', '12', '11', '10', '9', '8', '7')), '[1,4]dithiepino[2,3-c]furan': (12161, '[1,4]dithiepino[2,3-c]furan', 'S1CC=CSC=2C1=COC2', ('1', '2', '3', '4', '5', '5a', '8a', '8', '7', '6')), '[1,4]oxaselenino[2,3-b][1,4]oxathiine': (12315, '[1,4]oxaselenino[2,3-b][1,4]oxathiine', 'O1C2=C(SC=C1)[Se]C=CO2', ('1', '8a', '4a', '4', '3', '2', '5', '6', '7', '8')), '[1,4]thiazino[2,3-g]quinoline': (13459, '[1,4]thiazino[2,3-g]quinoline', 'S1CC=NC=2C1=CC=1C=CC=NC1C2', ('1', '2', '3', '4', '4a', '10a', '10', '9a', '9', '8', '7', '6', '5a', '5')), '[1,5]dioxonino[3,2-b][1,5]dioxonine': (32195, '[1,5]dioxonino[3,2-b][1,5]dioxonine', 'O1C=2C(=COC=CC=C1)OC=CC=COC2', ('1', '14a', '7a', '7', '6', '5', '4', '3', '2', '8', '9', '10', '11', '12', '13', '14')), '[1]benzopyrano[2,3-c]pyrrole': (12157, '1H-[1]benzopyrano[2,3-c]pyrrole', 'C1C=2C(=CN1)OC1=C(C2)C=CC=C1', ('1', '9a', '3a', '3', '2', '4', '4a', '8a', '9', '8', '7', '6', '5')), 'acridarsine': (11707, 'acridarsine', 'C1=CC=CC2=[As]C3=CC=CC=C3C=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'acridophosphine': (11707, 'acridophosphine', 'C1=CC=CC2=PC3=CC=CC=C3C=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'anthra[2,3-f]isoindole': (14655, 'anthra[2,3-f]isoindole', 'C=1NC=C2C=C3C(=CC12)C=C1C=C2C=CC=CC2=CC1=C3', ('1', '2', '3', '3a', '4', '4a', '12a', '13', '13a', '12', '11a', '11', '10a', '10', '9', '8', '7', '6a', '6', '5a', '5')), 'arsanthrene': (11767, 'arsanthrene', 'C1=CC=CC2=[As]C3=CC=CC=C3[As]=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'arsanthridine': (11712, 'arsanthridine', 'C1=CC=CC2=[As]C=C3C=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), 'arsindole': (11708, 'arsindole', '[AsH]1C=CC2=CC=CC=C12', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), 'arsindolizine': (11709, 'arsindolizine', 'C=1C=C[As]2C=CC=CC12', ('1', '2', '3', '4', '5', '6', '7', '8', '8a')), 'arsinoline': (11713, 'arsinoline', '[As]1=CC=CC2=CC=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), 'arsinolizine': (11714, 'arsinolizine', 'C=1C=CC[As]2C=CC=CC12', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '9a')), 'as-indaceno[2,3-b]-s-indaceno[1,2-e]pyridine': (13052, 'as-indaceno[2,3-b]-s-indaceno[1,2-e]pyridine', 'C1=CC=C2C=CC=3C(=C12)C=C1N=C2C(=CC13)C1=CC3=CC=CC3=CC1=C2', ('1', '2', '3', '3a', '4', '5', '5a', '14a', '14b', '14', '13a', '13', '12a', '6a', '6', '5b', '6b', '7', '7a', '8', '9', '10', '10a', '11', '11a', '12')), 'azuleno[6,5-b]pyridine': (12143, 'azuleno[6,5-b]pyridine', 'N1=C2C(=CC=C1)C=C1C=CC=C1C=C2', ('1', '10a', '4a', '4', '3', '2', '5', '5a', '6', '7', '8', '8a', '9', '10')), "benzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-b:1',2'-c']difuran": (13962, "benzo[1'',2'':3,4;4'',5'':3',4']dicyclobuta[1,2-b:1',2'-c']difuran", 'O1C2=C(C=C1)C=1C2=CC2=C(C3=COC=C32)C1', ('1', '8b', '3a', '3', '2', '3b', '8a', '8', '7b', '4a', '4b', '5', '6', '7', '7a', '4')), "benzo[1,2-b:4,3-c']dipyran": (3286, "2H-benzo[1,2-b:4,3-c']dipyran", 'C1=C2C(=COC1)C=CC1OC=CC=C12', ('1', '10b', '4a', '4', '3', '2', '5', '6', '6a', '7', '8', '9', '10', '10a')), "benzo[1,2-b:4,5-c']difuran": (13453, "benzo[1,2-b:4,5-c']difuran", 'O1C=2C(C=C1)=CC1=COC=C1C2', ('1', '8a', '3a', '3', '2', '4', '4a', '5', '6', '7', '7a', '8')), "benzo[1,2-b:5,4-b']dipyran": (24788, "2H-benzo[1,2-b:5,4-b']dipyran", 'O1C=2C(C=CC1)=CC=1C(OC=CC1)C2', ('1', '10a', '4a', '4', '3', '2', '5', '5a', '9a', '9', '8', '7', '6', '10')), "benzo[1,2-c:3,4-c']difuran": (32531, "benzo[1,2-c:3,4-c']difuran", 'C=1OC=C2C1C=1C(=COC1)C=C2', ('1', '2', '3', '3a', '8b', '8a', '5a', '6', '7', '8', '5', '4')), "benzo[1,2-c:4,5-c']dipyrrole": (41087, "benzo[1,2-c:4,5-c']dipyrrole", 'C1=C2C(C=N1)=CC=1C(C=NC1)=C2', ('1', '8a', '3a', '3', '2', '4', '4a', '7a', '7', '6', '5', '8')), "benzo[1,2-c:4,5-c']dithiophene": (11268, "1H-benzo[1,2-c:4,5-c']dithiophene", 'C1C=2C(CS1)=CC=1C(=CSC1)C2', ('1', '8a', '3a', '3', '2', '4', '4a', '7a', '7', '6', '5', '8')), "benzo[1,2-f:4,5-g']diindole": (13548, "benzo[1,2-f:4,5-g']diindole", 'N1=CC=C2C=CC=3C(=C12)C=C1C=C2C=CN=C2C=C1C3', ('1', '2', '3', '3a', '4', '5', '5a', '12a', '12b', '12', '11a', '11', '10a', '10', '9', '8', '7a', '7', '6a', '6')), 'benzo[1,2:3,4:5,6]tri[7]annulene': (13552, 'benzo[1,2:3,4:5,6]tri[7]annulene', 'C1C=CC=CC=2C1=C1C=CC=CC=C1C1=CC=CC=CC12', ('1', '2', '3', '4', '5', '5a', '15b', '15a', '15', '14', '13', '12', '11', '10b', '10a', '10', '9', '8', '7', '6', '5b')), 'benzo[1,2:4,5]di[7]annulene': (13550, 'benzo[1,2:4,5]di[7]annulene', 'C1=CC=CC=C2C1=CC1=CC=CC=CC1=C2', ('1', '2', '3', '4', '5', '5a', '12a', '12', '11a', '11', '10', '9', '8', '7', '6a', '6')), 'benzo[13]annulene': (23875, 'benzo[13]annulene', 'C1C=CC=C2C1=CC=CC=CC=CC=CC=C2', ('1', '2', '3', '4', '4a', '15a', '15', '14', '13', '12', '11', '10', '9', '8', '7', '6', '5')), 'benzo[14]annulene': (23839, 'benzo[14]annulene', 'C1=CC=CC2=C1C=CC=CC=CC=CC=CC=C2', ('1', '2', '3', '4', '4a', '16a', '16', '15', '14', '13', '12', '11', '10', '9', '8', '7', '6', '5')), 'benzo[4,5]cyclohepta[1,2-f][2]benzopyran': (14357, 'benzo[4,5]cyclohepta[1,2-f][2]benzopyran', 'C1=COC=C2C1=C1C(C=C2)=CC2=C(C=C1)C=CC=C2', ('1', '2', '3', '4', '4a', '13b', '13a', '6a', '6', '5', '7', '7a', '11a', '12', '13', '11', '10', '9', '8')), 'benzo[7,8]cycloundeca[1,2-b]pyridine': (14448, 'benzo[7,8]cycloundeca[1,2-b]pyridine', 'N1C=2C(=CC=C1)C=CC=CC1=C(C=CC2)C=CC=C1', ('1', '15a', '4a', '4', '3', '2', '5', '6', '7', '8', '8a', '12a', '13', '14', '15', '12', '11', '10', '9')), 'benzo[9]annulene': (14661, 'benzo[9]annulene', 'C1C=CC=C2C1=CC=CC=CC=C2', ('1', '2', '3', '4', '4a', '11a', '11', '10', '9', '8', '7', '6', '5')), 'benzo[a]cyclohepta[e][8]annulene': (7406, 'benzo[a]cyclohepta[e][8]annulene', 'C1C=CC=C2C1=CC=C1C(C=C2)=CC=CC=C1', ('1', '2', '3', '4', '4a', '13a', '13', '12', '11a', '6a', '6', '5', '7', '8', '9', '10', '11')), 'benzo[a]tetracene': (13972, 'benzo[a]tetracene', 'C1=CC=CC=2C1=C1C=C3C=C4C=CC=CC4=CC3=CC1=CC2', ('1', '2', '3', '4', '4a', '14b', '14a', '14', '13a', '13', '12a', '12', '11', '10', '9', '8a', '8', '7a', '7', '6a', '6', '5')), 'benzo[b]phosphindole': (41804, 'benzo[b]phosphindole', 'C1=C2C3=C(PC2=CC=C1)C=CC=C3', ('1', '9b', '9a', '5a', '5', '4a', '4', '3', '2', '6', '7', '8', '9')), 'benzo[g]isoquinoline': (10301, 'benzo[g]isoquinoline', 'C1=NC=CC2=CC3=C(C=C12)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '5a', '9a', '10', '10a', '9', '8', '7', '6')), 'benzo[m]tetraphene': (12519, 'benzo[m]tetraphene', 'C1=CC=CC2=CC=C3C=C4C=CC5=C(C4=CC3=C12)C=CC=C5', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '7a', '8', '9', '9a', '13a', '13b', '14', '14a', '14b', '13', '12', '11', '10')), 'boranthrene': (11769, 'boranthrene', 'C1=CC=CC=2B=C3C=CC=CC3=BC12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), "cyclobuta[1,2-c:3,4-c']difuran": (32509, "cyclobuta[1,2-c:3,4-c']difuran", 'C1=C2C(=CO1)C=1C2=COC1', ('1', '6b', '3a', '3', '2', '3b', '6a', '6', '5', '4')), 'cyclobuta[a]indene': (14267, 'cyclobuta[a]indene', 'C1=CC2C1=CC=1C=CC=CC21', ('1', '2', '2a', '7a', '7', '6a', '6', '5', '4', '3', '2b')), 'cyclohepta[4,5]cycloocta[1,2-b]pyridine': (14385, 'cyclohepta[4,5]cycloocta[1,2-b]pyridine', 'C1=C2C(=NC=C1)C=CC=C1C(C2)=CC=CC=C1', ('1', '13a', '4a', '4', '3', '2', '5', '6', '7', '7a', '12a', '13', '12', '11', '10', '9', '8')), 'cyclohepta[b]pyridine': (42203, 'cyclohepta[b]pyridine', 'N1C=2C(=CC=C1)C=CC=CC2', ('1', '9a', '4a', '4', '3', '2', '5', '6', '7', '8', '9')), 'cyclohepta[c]thiopyran': (14559, 'cyclohepta[c]thiopyran', 'C=1SC=CC=2C1C=CC=CC2', ('1', '2', '3', '4', '4a', '9a', '9', '8', '7', '6', '5')), "cyclopenta[1,2-b:5,1-b']difuran": (13401, "cyclopenta[1,2-b:5,1-b']difuran", 'O1C=2C3(C=C1)OC=CC3=CC2', ('1', '8a', '3a', '3', '2', '4', '5', '6', '6a', '7', '8')), "cyclopenta[1,2-c:3,4-c']dithiophene": (32561, "cyclopenta[1,2-c:3,4-c']dithiophene", 'C1C=2C(=CS1)C=1C(=CSC1)C2', ('1', '7a', '3a', '3', '2', '3b', '6a', '6', '5', '4', '7')), 'cyclopenta[3,4]naphtho[1,2-d][1,3]oxazole': (13012, 'cyclopenta[3,4]naphtho[1,2-d][1,3]oxazole', 'O1CN=C2C1=C1C(C=3C=CC=CC32)=CC=C1', ('1', '2', '3', '3a', '10b', '10a', '7b', '7a', '7', '6', '5', '4', '3b', '8', '9', '10')), 'cyclopenta[4,5]pyrrolo[2,3-c]pyridine': (13986, 'cyclopenta[4,5]pyrrolo[2,3-c]pyridine', 'C1=NC=CC=2C1=NC=1C2C=CC1', ('1', '2', '3', '4', '4a', '8a', '8', '7a', '4b', '5', '6', '7')), 'cyclopenta[a]indene': (19829, 'cyclopenta[a]indene', 'C1=CC=C2C1=CC=1C=CC=CC21', ('1', '2', '3', '3a', '8a', '8', '7a', '7', '6', '5', '4', '3b')), 'cyclopenta[a]naphthalene': (24822, 'cyclopenta[a]naphthalene', 'C1C=CC=2C1=C1C=CC=CC1=CC2', ('1', '2', '3', '3a', '9b', '9a', '9', '8', '7', '6', '5a', '5', '4')), 'cyclopenta[a]pentalene': (24790, 'cyclopenta[a]pentalene', 'C1=C2CC=3C(=C2C=C1)C=CC3', ('1', '7a', '7', '6a', '3b', '3a', '3', '2', '4', '5', '6')), 'cyclopenta[b]dibenzo[3,4:6,7]cyclohepta[1,2-e]pyridine': (13502, 'cyclopenta[b]dibenzo[3,4:6,7]cyclohepta[1,2-e]pyridine', 'C1=CC=CC=2C1=CC1=C(C=3C2C=C2C(N3)=CC=C2)C=CC=C1', ('1', '2', '3', '4', '4a', '14a', '14', '13a', '9b', '9a', '4b', '5', '5a', '8a', '9', '8', '7', '6', '10', '11', '12', '13')), 'cyclopenta[b]naphthalene': (24748, 'cyclopenta[b]naphthalene', 'C1=CC=C2C1=CC1=CC=CC=C1C2', ('1', '2', '3', '3a', '9a', '9', '8a', '8', '7', '6', '5', '4a', '4')), 'cyclopenta[b]pyran': (12547, 'cyclopenta[b]pyran', 'O1C=2C(=CC=C1)C=CC2', ('1', '7a', '4a', '4', '3', '2', '5', '6', '7')), 'cyclopenta[c]borole': (41183, 'cyclopenta[c]borole', 'C1=BC=C2C1=CC=C2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'cyclopenta[c]furan': (24800, 'cyclopenta[c]furan', 'C1OC=C2C1=CC=C2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'cyclopenta[h]indeno[2,1-f]naphtho[2,3-a]azulene': (12974, 'cyclopenta[h]indeno[2,1-f]naphtho[2,3-a]azulene', 'C1=CC=C2C1=C1C(C=C3C=C4C(=C23)C=C2C=CC=CC2=C4)=CC4=CC=CC=C41', ('1', '2', '3', '3a', '16c', '16b', '11a', '11', '10a', '10', '9a', '3c', '3b', '4', '4a', '5', '6', '7', '8', '8a', '9', '12', '12a', '13', '14', '15', '16', '16a')), 'cyclopenta[l]phenanthrene': (12624, 'cyclopenta[l]phenanthrene', 'C1C=CC2=C1C1=CC=CC=C1C=1C=CC=CC21', ('1', '2', '3', '3a', '11b', '11a', '11', '10', '9', '8', '7b', '7a', '7', '6', '5', '4', '3b')), 'cyclopropa[b]dicyclopenta[2,3:6,7]oxepino[4,5-e]pyridine': (13060, 'cyclopropa[b]dicyclopenta[2,3:6,7]oxepino[4,5-e]pyridine', 'C1=CC=C2OC=3C(=C4C(C=C5C(N4)=C5)=C21)C=CC3', ('1', '2', '3', '3a', '4', '4a', '7a', '7b', '10a', '10', '9a', '8a', '8', '9', '10b', '7', '6', '5')), 'dibenzo[4,5:6,7]cycloocta[1,2-c]furan': (13487, 'dibenzo[4,5:6,7]cycloocta[1,2-c]furan', 'C=1OC=C2C1C=C1C(=C3C(=C2)C=CC=C3)C=CC=C1', ('1', '2', '3', '3a', '13a', '13', '12a', '8b', '8a', '4a', '4', '5', '6', '7', '8', '9', '10', '11', '12')), 'dibenzo[a,c][7]annulene': (24784, 'dibenzo[a,c][7]annulene', 'C1C=CC=C2C1=C1C(=CC=C2)C=CC=C1', ('1', '2', '3', '4', '4a', '11b', '11a', '7a', '7', '6', '5', '8', '9', '10', '11')), 'dibenzo[a,e][8]annulene': (14197, 'dibenzo[a,e][8]annulene', 'C1=CC=CC2=C1C=CC1=C(C=C2)C=CC=C1', ('1', '2', '3', '4', '4a', '12a', '12', '11', '10a', '6a', '6', '5', '7', '8', '9', '10')), 'dibenzo[b,d]borole': (37250, 'dibenzo[b,d]borole', 'C1=CC=CC=2BC3=C(C21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '5a', '9a', '9b', '9', '8', '7', '6')), 'dibenzo[b,d]furan': (7475, 'dibenzo[b,d]furan', 'C1=CC=CC=2OC3=C(C21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '5a', '9a', '9b', '9', '8', '7', '6')), 'dibenzo[b,f][1,5]diazocine': (49303, 'dibenzo[b,f][1,5]diazocine', 'C1=CC=CC2=NC=C3C(=NC=C21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '6', '6a', '10a', '11', '12', '12a', '10', '9', '8', '7')), 'dibenzo[b,g][1,6]diazecine': (14454, 'dibenzo[b,g][1,6]diazecine', 'C1=CC=CC2=NC=CC3=C(N=CC=C21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '6', '7', '7a', '11a', '12', '13', '14', '14a', '11', '10', '9', '8')), 'dibenzo[b,h]biphenylene': (11473, 'dibenzo[b,h]biphenylene', 'C1=CC=CC2=CC3=C4C=C5C(=CC4=C3C=C21)C=CC=C5', ('1', '2', '3', '4', '4a', '5', '5a', '5b', '6', '6a', '10a', '11', '11a', '11b', '12', '12a', '10', '9', '8', '7')), 'dibenzo[c,e]oxepine': (13481, 'dibenzo[c,e]oxepine', 'C1=CC=CC2=COC=C3C(=C21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '6', '7', '7a', '11a', '11b', '11', '10', '9', '8')), 'dibenzo[c,g]phenanthrene': (6914, 'dibenzo[c,g]phenanthrene', 'C1=CC=2C=CC=3C=CC4=C(C3C2C2=C1C=CC=C2)C=CC=C4', ('1', '2', '2a', '3', '4', '4a', '5', '6', '6a', '10a', '10b', '10c', '10d', '14a', '14', '13', '12', '11', '10', '9', '8', '7')), 'dibenzo[g,p][1,3,6,9,12,15,18]heptaoxacycloicosine': (13485, 'dibenzo[g,p][1,3,6,9,12,15,18]heptaoxacycloicosine', 'C1=CC=CC=2OC=COCOC=COC3=C(OC=COC=COC21)C=CC=C3', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '9', '10', '11', '12', '13', '13a', '17a', '18', '19', '20', '21', '22', '23', '24', '24a', '17', '16', '15', '14')), 'dicyclohepta[a,d][8]annulene': (17040, 'dicyclohepta[a,d][8]annulene', 'C1=CC=CC=C2C1=CC=1C(=CC=C2)C=CC=CC1', ('1', '2', '3', '4', '5', '5a', '14a', '14', '13a', '8a', '8', '7', '6', '9', '10', '11', '12', '13')), 'dicyclohepta[a,e][8]annulene': (9733, 'dicyclohepta[a,e][8]annulene', 'C1=CC=CC=C2C1=CC=C1C(C=C2)=CC=CC=C1', ('1', '2', '3', '4', '5', '5a', '14a', '14', '13', '12a', '7a', '7', '6', '8', '9', '10', '11', '12')), "dicyclopenta[f,f']pentaleno[1,2-a:6,5-a']dipentalene": (14389, "dicyclopenta[f,f']pentaleno[1,2-a:6,5-a']dipentalene", 'C1=CC=C2C1=CC1=CC=3C(=C21)C=2C(=CC=1C2C2=C4C(C=C2C1)=CC=C4)C3', ('1', '2', '3', '3a', '12a', '12', '11a', '11', '10a', '3c', '3b', '3d', '9a', '9', '8a', '3e', '3f', '3g', '6a', '7', '7a', '8', '6', '5', '4', '10')), "difuro[3,2-b:2',3'-e]pyridine": (12917, "difuro[3,2-b:2',3'-e]pyridine", 'O1C=CC2=C1C=C1C(=N2)C=CO1', ('1', '2', '3', '3a', '8a', '8', '7a', '4a', '4', '5', '6', '7')), "difuro[3,2-b:3',4'-e]pyridine": (13056, "difuro[3,2-b:3',4'-e]pyridine", 'O1C=CC2=NC=3C(C=C21)=COC3', ('1', '2', '3', '3a', '4', '4a', '7a', '8', '8a', '7', '6', '5')), "dinaphtho[1,2-c:2',1'-m]picene": (12990, "dinaphtho[1,2-c:2',1'-m]picene", 'C1=CC=CC=2C=CC3=C(C=CC4=C5C=CC6=C7C=CC8=C(C7=CC=C6C5=CC=C34)C=CC3=CC=CC=C38)C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '22a', '22', '21', '20b', '20a', '20', '19', '18b', '18a', '18', '17', '16b', '10b', '10a', '10', '9', '8b', '8a', '8', '7', '6b', '11', '12', '12a', '13', '14', '15', '16', '16a', '22b')), "dinaphtho[2,3-a:2',3'-o]pentaphene": (14527, "dinaphtho[2,3-a:2',3'-o]pentaphene", 'C1=CC=2C=C3C=CC=4C=C5C=CC6=C(C5=CC4C3=CC2C2=C1C=C1C=CC=CC1=C2)C=C2C=CC=CC2=C6', ('1', '2', '2a', '3', '3a', '4', '5', '5a', '6', '6a', '7', '8', '8a', '14a', '14b', '15', '15a', '15b', '16', '16a', '16b', '22a', '22', '21a', '21', '20', '19', '18', '17a', '17', '14', '13a', '13', '12', '11', '10', '9a', '9')), "dipyrano[4,3-b:2',3'-d]pyridine": (13098, "2H,10H-dipyrano[4,3-b:2',3'-d]pyridine", 'O1CC=CC=2C1=C1C(=NC2)C=COC1', ('1', '2', '3', '4', '4a', '10b', '10a', '6a', '6', '5', '7', '8', '9', '10')), "dipyrido[1,2-a:2',1'-c]pyrazine": (12511, "dipyrido[1,2-a:2',1'-c]pyrazine", 'C1=CC=CN2C1=C1N(C=C2)C=CC=C1', ('1', '2', '3', '4', '5', '12b', '12a', '8', '7', '6', '9', '10', '11', '12')), "dithieno[2',3':3,4;2'',3'':6,7]cyclohepta[1,2-d]imidazole": (13500, "dithieno[2',3':3,4;2'',3'':6,7]cyclohepta[1,2-d]imidazole", 'N1=CN=C2C1=C1C(=CC3=C2SC=C3)SC=C1', ('1', '2', '3', '3a', '10b', '10a', '7a', '7', '6a', '3b', '4', '5', '6', '8', '9', '10')), "furo[2',3':4,5]pyrrolo[2,3-b]imidazo[4,5-e]pyrazine": (13048, "furo[2',3':4,5]pyrrolo[2,3-b]imidazo[4,5-e]pyrazine", 'N1=CN=C2N=C3C(N=C21)=NC2=C3OC=C2', ('1', '2', '3', '3a', '4', '4a', '8a', '9', '9a', '8', '7a', '4b', '5', '6', '7')), 'furo[2,3-c]pyran': (14211, 'furo[2,3-c]pyran', 'O1C=CC2=C1COC=C2', ('1', '2', '3', '3a', '7a', '7', '6', '5', '4')), 'furo[2,3-d][1,3]dioxole': (12278, 'furo[2,3-d][1,3]dioxole', 'O1COC2=C1C=CO2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), "furo[3',2':4,5]indeno[2,1-b]pyridine": (13461, "furo[3',2':4,5]indeno[2,1-b]pyridine", 'C=1COC=2C1C1=CC3=NC=CC=C3C1=CC2', ('1', '2', '3', '3a', '10b', '10a', '10', '9a', '9', '8', '7', '6', '5b', '5a', '5', '4')), "furo[3',2':5,6]pyrido[3,4-a]carbazole": (13397, "furo[3',2':5,6]pyrido[3,4-a]carbazole", 'O1C=CC2=C1N=CC=1C2=CC=C2C3=CC=CC=C3NC12', ('1', '2', '3', '3a', '12a', '12', '11', '10b', '3b', '4', '5', '5a', '5b', '6', '7', '8', '9', '9a', '10', '10a')), "furo[3',4':5,6]pyrazino[2,3-c]pyridazine": (13994, "furo[3',4':5,6]pyrazino[2,3-c]pyridazine", 'N1=NC=CC=2C1=NC=1C(N2)=COC1', ('1', '2', '3', '4', '4a', '9a', '9', '8a', '5a', '5', '6', '7', '8')), "furo[3,2-b:4,5-b']difuran": (13592, "furo[3,2-b:4,5-b']difuran", 'O1C2=C(C=C1)OC1=C2OC=C1', ('1', '7b', '3a', '3', '2', '4', '4a', '7a', '7', '6', '5')), 'furo[3,2-b]thieno[2,3-e]pyridine': (13044, 'furo[3,2-b]thieno[2,3-e]pyridine', 'O1C=CC2=NC3=C(C=C21)SC=C3', ('1', '2', '3', '3a', '4', '4a', '7a', '8', '8a', '7', '6', '5')), 'furo[3,2-h]pyrrolo[3,4-a]carbazole': (13086, 'furo[3,2-h]pyrrolo[3,4-a]carbazole', 'C1=NC=C2C1=C1N=C3C=C4C(=CC3=C1C=C2)C=CO4', ('1', '2', '3', '3a', '11b', '11a', '11', '10a', '10', '9a', '6a', '6', '5b', '5a', '5', '4', '7', '8', '9')), "furo[3,4-b]furo[3',2':4,5]furo[2,3-e]pyridine": (13522, "furo[3,4-b]furo[3',2':4,5]furo[2,3-e]pyridine", 'O1C=CC2=C1OC1=CC=3C(N=C12)=COC3', ('1', '2', '3', '3a', '9a', '9', '8a', '8', '7a', '4a', '4', '3b', '5', '6', '7')), 'furo[3,4-b]pyran': (14207, '2H-furo[3,4-b]pyran', 'O1C=2C(C=CC1)=COC2', ('1', '7a', '4a', '4', '3', '2', '5', '6', '7')), 'furo[3,4-b]thieno[2,3-e]pyrazine': (13094, 'furo[3,4-b]thieno[2,3-e]pyrazine', 'S1C=CC=2C1=NC=1C(N2)=COC1', ('1', '2', '3', '3a', '8a', '8', '7a', '4a', '4', '5', '6', '7')), 'furo[3,4-d][1,3]oxathiole': (10816, 'furo[3,4-d][1,3]oxathiole', 'O1CSC=2C1=COC2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'hexaphene': (11457, 'hexaphene', 'C1=CC=CC2=CC3=CC=C4C=C5C=C6C=CC=CC6=CC5=CC4=C3C=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '7a', '8', '8a', '9', '9a', '10', '11', '12', '13', '13a', '14', '14a', '15', '15a', '15b', '16', '16a')), 'imidazo[1,2-b][1,2,4]triazine': (12590, 'imidazo[1,2-b][1,2,4]triazine', 'N=1N2C(N=CC1)=NC=C2', ('1', '8', '4a', '4', '3', '2', '5', '6', '7')), "indeno[5'',4'':6',7']cyclododeca[1',2':4,5]indeno[1,2-b]anthracene": (24066, "indeno[5'',4'':6',7']cyclododeca[1',2':4,5]indeno[1,2-b]anthracene", 'C1=CC=C2C=CC3=CC=CC=4C(C5=CC=6C(=CC=7C=C8C=CC=CC8=CC7C6)C5=CC4)=CC=CC=CC3=C12', ('1', '2', '3', '3a', '4', '5', '5a', '6', '7', '8', '8a', '19b', '19a', '19', '18a', '10b', '11', '11a', '12', '12a', '13', '14', '15', '16', '16a', '17', '17a', '18', '10a', '10', '9', '20', '21', '22', '23', '24', '24a', '24b')), 'indolo[2,3-b]quinolizine': (42431, 'indolo[2,3-b]quinolizine', 'C1=C2C(=CC=C1)N=C1C=C3C=CC=CN3C=C12', ('1', '12b', '4a', '4', '3', '2', '5', '5a', '6', '6a', '7', '8', '9', '10', '11', '12', '12a')), 'isoarsindole': (11710, 'isoarsindole', 'C=1[AsH]C=C2C=CC=CC12', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), 'isoarsinoline': (11711, 'isoarsinoline', 'C1=[As]C=CC2=CC=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), 'isophosphindole': (11710, 'isophosphindole', 'C=1PC=C2C=CC=CC12', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), 'isophosphinoline': (11711, 'isophosphinoline', 'C1=PC=CC2=CC=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), 'naphtho[1,2-a]azulene': (11915, 'naphtho[1,2-a]azulene', 'C1=CC=CC=2C=CC=3C(=C4C=CC=CC=C4C3)C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12b', '12a', '12', '11', '10', '9', '8', '7a', '7', '12c')), 'naphtho[1,2-f]quinoline': (19792, 'naphtho[1,2-f]quinoline', 'C1=CC=NC=2C=CC3=C(C12)C1=CC=CC=C1C=C3', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12b', '12c', '12a', '12', '11', '10', '9', '8a', '8', '7')), 'naphtho[1,2-g]quinoline': (19763, 'naphtho[1,2-g]quinoline', 'C1=CC=CC=2C=CC=3C(=CC=4C=CC=NC4C3)C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12a', '12', '11a', '11', '10', '9', '8', '7a', '7', '12b')), 'naphtho[1,8a-b]azirine': (14011, 'naphtho[1,8a-b]azirine', 'N1=C2C13C=CC=CC3=CC=C2', ('1', '1a', '8a', '8', '7', '6', '5', '4a', '4', '3', '2')), "naphtho[2',1':3,4]phenanthro[1,2-b]thiophene": (13026, "naphtho[2',1':3,4]phenanthro[1,2-b]thiophene", 'C1=C2C=CC=CC2=C2C3=C(C4=C(SC=C4)C2=C1)C=CC1=CC=CC=C13', ('1', '15a', '15', '14', '13', '12', '11d', '11c', '11b', '5b', '5a', '2b', '3', '4', '5', '2a', '2', '6', '7', '7a', '8', '9', '10', '11', '11a')), 'naphtho[2,1-a]azulene': (11915, 'naphtho[2,1-a]azulene', 'C1=CC=CC=2C=CC=3C(=CC4=CC=CC=CC34)C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12a', '12', '11a', '11', '10', '9', '8', '7', '6b', '12b')), 'naphtho[2,1-f]quinoline': (19763, 'naphtho[2,1-f]quinoline', 'N1=CC=CC2=C3C(=CC=C12)C1=CC=CC=C1C=C3', ('1', '2', '3', '4', '4a', '4b', '10b', '11', '12', '12a', '10a', '10', '9', '8', '7', '6a', '6', '5')), 'naphtho[2,3-c][1]benzazocine': (14377, 'naphtho[2,3-c][1]benzazocine', 'C1=CC=CC2=C1C=CC1=C(C=N2)C=C2C=CC=CC2=C1', ('1', '2', '3', '4', '4a', '14a', '14', '13', '12a', '6a', '6', '5', '7', '7a', '8', '9', '10', '11', '11a', '12')), 'naphtho[2,3-d][1,2,3]triazole': (13980, 'naphtho[2,3-d][1,2,3]triazole', 'N1=NN=C2C1=CC1=CC=CC=C1C2', ('1', '2', '3', '3a', '9a', '9', '8a', '8', '7', '6', '5', '4a', '4')), 'naphtho[2,3-d][1,3,2]dioxasilole': (46235, 'naphtho[2,3-d][1,3,2]dioxasilole', 'O1[SiH2]OC2=C1C=C1C=CC=CC1=C2', ('1', '2', '3', '3a', '9a', '9', '8a', '8', '7', '6', '5', '4a', '4')), 'naphtho[2,3-f]azulene': (12256, 'naphtho[2,3-f]azulene', 'C1=CC=C2C=C3C(=CC=C12)C=C1C=CC=CC1=C3', ('1', '2', '3', '3a', '4', '4a', '10a', '11', '12', '12a', '10', '9a', '9', '8', '7', '6', '5a', '5')), 'naphtho[2,3-f]isoquinoline': (19800, 'naphtho[2,3-f]isoquinoline', 'C1=CN=CC=2C=CC3=C(C12)C=C1C=CC=CC1=C3', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12a', '12b', '12', '11a', '11', '10', '9', '8', '7a', '7')), 'naphtho[2,3-f]quinoline': (19800, 'naphtho[2,3-f]quinoline', 'C1=CC=NC=2C=CC3=C(C12)C=C1C=CC=CC1=C3', ('1', '2', '3', '4', '4a', '5', '6', '6a', '12a', '12b', '12', '11a', '11', '10', '9', '8', '7a', '7')), 'octalene': (11459, 'octalene', 'C1=CC=CC=CC2=CC=CC=CC=C12', ('1', '2', '3', '4', '5', '6', '6a', '7', '8', '9', '10', '11', '12', '12a')), 'pentalene': (11459, 'pentalene', 'C1=CC=C2C=CC=C12', ('1', '2', '3', '3a', '4', '5', '6', '6a')), 'pentaphene': (11449, 'pentaphene', 'C1=CC=CC2=CC3=CC=C4C=C5C=CC=CC5=CC4=C3C=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '7a', '8', '8a', '9', '10', '11', '12', '12a', '13', '13a', '13b', '14', '14a')), 'phenanthridine': (11537, 'phenanthridine', 'C1=CC=CC2=NC=C3C=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), 'phenanthro[9,10-d][1,3,2]dioxaphosphole': (46286, 'phenanthro[9,10-d][1,3,2]dioxaphosphole', 'O1POC2=C1C1=CC=CC=C1C=1C=CC=CC12', ('1', '2', '3', '3a', '11b', '11a', '11', '10', '9', '8', '7b', '7a', '7', '6', '5', '4', '3b')), 'phenothiarsinine': (11811, 'phenothiarsinine', 'C1=CC=CC=2SC3=CC=CC=C3[AsH]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phenoxaphosphinine': (11801, 'phenoxaphosphinine', 'C1=CC=CC=2OC3=CC=CC=C3PC12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phenoxarsinine': (11805, 'phenoxarsinine', 'C1=CC=CC=2OC3=CC=CC=C3[AsH]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phenoxaselenine': (11797, 'phenoxaselenine', 'C1=CC=CC=2OC3=CC=CC=C3[Se]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phenoxastibinine': (11807, 'phenoxastibinine', 'C1=CC=CC=2OC3=CC=CC=C3[SbH]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phenoxatellurine': (11799, 'phenoxatellurine', 'C1=CC=CC=2OC3=CC=CC=C3[Te]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phosphanthrene': (11765, 'phosphanthrene', 'C1=CC=CC2=PC3=CC=CC=C3P=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'phosphanthridine': (11712, 'phosphanthridine', 'C1=CC=CC2=PC=C3C=CC=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '8', '9', '10', '10a', '10b')), 'phosphindole': (11708, 'phosphindole', 'P1C=CC2=CC=CC=C12', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), 'phosphindolizine': (11709, 'phosphindolizine', 'C=1C=CP2C=CC=CC12', ('1', '2', '3', '4', '5', '6', '7', '8', '8a')), 'phosphinino[2,1-d]phosphinolizine': (12476, 'phosphinino[2,1-d]phosphinolizine', 'C1=CC=CP23C1C=CC=C3C=CC=C2', ('1', '2', '3', '4', '5', '12a', '12', '11', '10', '9a', '9', '8', '7', '6')), 'phosphinino[3,2-b]pyran': (14547, 'phosphinino[3,2-b]pyran', 'O1C2C(=CC=C1)P=CC=C2', ('1', '8a', '4a', '4', '3', '2', '5', '6', '7', '8')), 'phosphinoline': (11713, 'phosphinoline', 'P1=CC=CC2=CC=CC=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), 'phosphinolizine': (11714, 'phosphinolizine', 'C=1C=CCP2C=CC=CC12', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '9a')), 'pteridine': (11547, 'pteridine', 'N1=CN=CC2=NC=CN=C12', ('1', '2', '3', '4', '4a', '5', '6', '7', '8', '8a')), "pyrano[2'',3'':6',7']thiepino[4',5':4,5]furo[3,2-c]pyrazole": (13433, "pyrano[2'',3'':6',7']thiepino[4',5':4,5]furo[3,2-c]pyrazole", 'O1C=CC=C2C1=C1C(=C3N=NC=C3O1)C=CS2', ('1', '2', '3', '4', '4a', '11b', '11a', '7a', '7b', '8', '9', '10', '10a', '11', '7', '6', '5')), 'pyrano[2,3-b]pyran': (24649, '2H,5H-pyrano[2,3-b]pyran', 'O1CC=CC2=C1OC=CC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), 'pyrano[2,3-c]acridine': (10818, 'pyrano[2,3-c]acridine', 'C1=CCOC=2C=CC=3C=C4C=CC=CC4=NC3C21', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '7a', '8', '9', '10', '11', '11a', '12', '12a', '12b')), "pyrano[3',2':4,5]cyclohepta[1,2-d]oxepine": (13417, "pyrano[3',2':4,5]cyclohepta[1,2-d]oxepine", 'O1C=CC=C2C=C3C(C=COC=C3)=CC=C21', ('1', '2', '3', '4', '4a', '5', '5a', '10a', '10', '9', '8', '7', '6', '11', '12', '12a')), 'pyrano[3,2-e][1,4]dioxepine': (20912, 'pyrano[3,2-e][1,4]dioxepine', 'O1C=COC=C2C1=CC=CO2', ('1', '2', '3', '4', '5', '5a', '9a', '9', '8', '7', '6')), 'pyrano[4,3-c]pyran': (32535, 'pyrano[4,3-c]pyran', 'C=1OC=CC=2C1C=COC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), 'pyrano[4,3-d][1,2,3]dioxathiine': (21239, '4H,5H-pyrano[4,3-d][1,2,3]dioxathiine', 'S1OOCC2=C1C=COC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), 'pyrano[4,3-d][1,3,2]dioxathiine': (21239, '4H,5H-pyrano[4,3-d][1,3,2]dioxathiine', 'O1SOCC2=C1C=COC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), 'pyrazino[2,3-b]carbazole': (12232, 'pyrazino[2,3-b]carbazole', 'N1=CC=NC2=CC=3NC=4C=CC=CC4C3C=C21', ('1', '2', '3', '4', '4a', '5', '5a', '6', '6a', '7', '8', '9', '10', '10a', '10b', '11', '11a')), 'pyrazino[2,3-d]pyridazine': (12403, 'pyrazino[2,3-d]pyridazine', 'N1=CC=NC=2C1=CN=NC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), "pyrazolo[4',3':6,7]oxepino[4,5-b]indole": (13409, "pyrazolo[4',3':6,7]oxepino[4,5-b]indole", 'C1=NN=C2C1=C1C(=NC=3C=CC=CC13)C=CO2', ('1', '2', '3', '3a', '11c', '11b', '6a', '7', '7a', '8', '9', '10', '11', '11a', '6', '5', '4')), "pyrido[1'',2'':1',2']imidazo[4',5':5,6]pyrazino[2,3-b]phenazine": (12905, "pyrido[1'',2'':1',2']imidazo[4',5':5,6]pyrazino[2,3-b]phenazine", 'C1=CC=CC=2N1C=1C(=NC=3C(=CC4=NC5=CC=CC=C5N=C4C3)N1)N2', ('1', '2', '3', '4', '4a', '16', '15a', '5a', '6', '6a', '14a', '14', '13a', '13', '12a', '12', '11', '10', '9', '8a', '8', '7a', '7', '15', '5')), 'pyrido[1,2-a]pyrazine': (41808, 'pyrido[1,2-a]pyrazine', 'C1=C2N(CC=N1)C=CC=C2', ('1', '9a', '5', '4', '3', '2', '6', '7', '8', '9')), 'pyrido[2,1-c][1,4]oxaazacyclohentriacontine': (24837, '3H-pyrido[2,1-c][1,4]oxaazacyclohentriacontine', 'C=1OCC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CC=CN2C1C=CC=C2', ('1', '2', '3', '4', '5', '6', '7', '8', '9', '10', '11', '12', '13', '14', '15', '16', '17', '18', '19', '20', '21', '22', '23', '24', '25', '26', '27', '28', '29', '30', '34a', '34', '33', '32', '31')), 'pyrido[2,3-d][1,2]oxazine': (12269, 'pyrido[2,3-d][1,2]oxazine', 'N1=CC=CC2=C1C=NOC2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), 'pyrido[3,2-d][1,3]thiazine': (14581, 'pyrido[3,2-d][1,3]thiazine', 'N=1CSC=C2C1C=CC=N2', ('1', '2', '3', '4', '4a', '8a', '8', '7', '6', '5')), "pyrrolo[2'',1'':1',2']isoquinolino[4',3':4,5]cyclopenta[1,2-b]acridine": (13036, "pyrrolo[2'',1'':1',2']isoquinolino[4',3':4,5]cyclopenta[1,2-b]acridine", 'C=1C=2C(C=CC1)=C1N(C=3C2C=C2C3C=C3C=C4C=CC=CC4=NC3=C2)CC=C1', ('1', '17b', '4a', '4', '3', '2', '4b', '8', '8a', '17a', '17', '16a', '8b', '9', '9a', '10', '10a', '11', '12', '13', '14', '14a', '15', '15a', '16', '7', '6', '5')), "pyrrolo[3',2':4,5]cyclohepta[1,2-b]quinoline": (13423, "pyrrolo[3',2':4,5]cyclohepta[1,2-b]quinoline", 'N1=CC=C2C=C3C(N=C4C=CC=CC4=C3)=CC=C21', ('1', '2', '3', '3a', '4', '4a', '10a', '10', '9a', '9', '8', '7', '6', '5a', '5', '11', '12', '12a')), 'pyrrolo[3,2-b]pyridine': (14630, 'pyrrolo[3,2-b]pyridine', 'N1C=CC2=NC=CC=C21', ('1', '2', '3', '3a', '4', '5', '6', '7', '7a')), 'pyrrolo[3,2-b]pyrrole': (14571, 'pyrrolo[3,2-b]pyrrole', 'N1=C2C(C=C1)=NC=C2', ('1', '6a', '3a', '3', '2', '4', '5', '6')), 'quinolino[4,3-b]acridine': (12386, 'quinolino[4,3-b]acridine', 'C1=C2C(=CC=C1)N=CC=1C2=CC2=CC3=CC=CC=C3N=C2C1', ('1', '14b', '4a', '4', '3', '2', '5', '6', '6a', '14a', '14', '13a', '13', '12a', '12', '11', '10', '9', '8a', '8', '7a', '7')), 'selenanthrene': (11759, 'selenanthrene', 'C1=CC=CC=2[Se]C3=CC=CC=C3[Se]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'selenopheno[2,3-b]selenophene': (11921, 'selenopheno[2,3-b]selenophene', '[Se]1C=CC2=C1[Se]C=C2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'selenopheno[3,2-b]selenophene': (11936, 'selenopheno[3,2-b]selenophene', '[Se]1C2=C(C=C1)[Se]C=C2', ('1', '6a', '3a', '3', '2', '4', '5', '6')), 'selenopheno[3,4-b]selenophene': (11932, 'selenopheno[3,4-b]selenophene', '[Se]1C=2C(C=C1)=C[Se]C2', ('1', '6a', '3a', '3', '2', '4', '5', '6')), 'selenoxanthene': (11642, 'selenoxanthene', 'C1=CC=CC=2[Se]C3=CC=CC=C3CC12', ('1', '2', '3', '4', '4a', '10', '10a', '5', '6', '7', '8', '8a', '9', '9a')), 'silanthrene': (11771, 'silanthrene', 'C1=CC=CC2=[SiH]C3=CC=CC=C3[SiH]=C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'telluranthrene': (11759, 'telluranthrene', 'C1=CC=CC=2[Te]C3=CC=CC=C3[Te]C12', ('1', '2', '3', '4', '4a', '5', '5a', '6', '7', '8', '9', '9a', '10', '10a')), 'telluroxanthene': (11646, 'telluroxanthene', 'C1=CC=CC=2[Te]C3=CC=CC=C3CC12', ('1', '2', '3', '4', '4a', '10', '10a', '5', '6', '7', '8', '8a', '9', '9a')), 'tetraphene': (25762, 'tetraphene', 'C1=CC=CC2=CC=C3C=C4C=CC=CC4=CC3=C12', ('1', '2', '3', '4', '4a', '5', '6', '6a', '7', '7a', '8', '9', '10', '11', '11a', '12', '12a', '12b')), "thieno[2',3':3,4]cyclopenta[1,2-e]furo[3',4':6,7]cyclohepta[1,2-b:5,4-b']dipyridine": (13947, "thieno[2',3':3,4]cyclopenta[1,2-e]furo[3',4':6,7]cyclohepta[1,2-b:5,4-b']dipyridine", 'C=1OC=C2C1C1=NC=3C(=CC1=CC=1C2=NC=CC1)C=C1C3SC=C1', ('1', '2', '3', '3a', '14b', '14a', '14', '13b', '9a', '9', '8a', '8', '7a', '3b', '4', '5', '6', '7', '10', '10a', '13a', '13', '12', '11')), 'thieno[2,3-b]furan': (12568, 'thieno[2,3-b]furan', 'O1C2=C(C=C1)C=CS2', ('1', '6a', '3a', '3', '2', '4', '5', '6')), 'thieno[2,3-d]imidazole': (12576, 'thieno[2,3-d]imidazole', 'N1C=NC2=C1C=CS2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'thieno[3,2-f][2,1]benzothiazole': (13443, 'thieno[3,2-f][2,1]benzothiazole', 'N=1SC=C2C1C=C1C(=C2)C=CS1', ('1', '2', '3', '3a', '8a', '8', '7a', '4a', '4', '5', '6', '7')), 'thieno[3,4-c]thiophene': (14638, '1H,3H-thieno[3,4-c]thiophene', 'C1SCC=2C1=CSC2', ('1', '2', '3', '3a', '6a', '6', '5', '4')), 'thieno[3,4-f][2]benzofuran': (32555, '1H-thieno[3,4-f][2]benzofuran', 'C1OCC=2C1=CC=1C(C2)=CSC1', ('1', '2', '3', '3a', '8a', '8', '7a', '4a', '4', '5', '6', '7')), "tribenzo[c,d',e]benzo[1,2-a:4,5-a']di[7]annulene": (13604, "tribenzo[c,d',e]benzo[1,2-a:4,5-a']di[7]annulene", 'C1=CC=CC=2C1=C1C(C=C3C2C=CC=C3)=CC=3C(C=CC2=C(C3)C=CC=C2)=C1', ('1', '2', '3', '4', '4a', '18b', '18a', '9a', '9', '8a', '4b', '5', '6', '7', '8', '10', '10a', '17a', '17', '16', '15a', '11a', '11', '12', '13', '14', '15', '18')), 'trinaphthylene': (11475, 'trinaphthylene', 'C1=CC=CC2=CC=3C4=CC5=CC=CC=C5C=C4C4=CC5=CC=CC=C5C=C4C3C=C12', ('1', '2', '3', '4', '4a', '5', '5a', '5b', '6', '6a', '7', '8', '9', '10', '10a', '11', '11a', '11b', '12', '12a', '13', '14', '15', '16', '16a', '17', '17a', '17b', '18', '18a'))}

name (indicated hydrogen dropped) -> (the Blue Book line, OPSIN input, SMILES, locants)