Supplementary information for GUAPOS VI publication in A&A

Supplemen a y in o ma ion
S 1. Desc ip ion o he LTE i s o he de ec ed molecules owa ds he G31.41 shock posi ion
In he ollowing subsec ions, we desc ibe he LTE i s o all he de ec ed molecules in he G31.41 shock egion, whose esul s a e
summa ized in Table B.1. The ansi ions used o each molecule a e lis ed in Supplemen a y Table S 1, and hey a e plo ed in Figs.
2, 3 and 4, and in he Supplemen a y Appendix S 3.
S 1.1. Deu e a ed Ammonia (NH2D)
Two ansi ions o NH2D, 11,1,0→10,1,1and 11,1,1→10,1,0a e de ec ed (see Supplemen a y Fig. S 1). In his case, we add a second
componen o ep oduce he line p o ile, and we i he empe a u e alue o each componen o 20 K (see Table B.1), as explained
in Sec . 3.2.1. The ansi ions a e op ically hin in bo h componen s (τ <0.088, see Supplemen a y Table S 1). We de i e alues o
he column densi ies o he wo componen s o 7.5 and 2.2 ×1013 cm−2.
S 1.2. E hynyl (CCH)
The hype ine ansi ions o he 1 →0 o a ional ansi ion a e clea ly de ec ed, and hey appea unblended, as shown in Supplemen-
a y Fig. S 2. The ansi ions a e op ically hin, co e ing a ange o τ om 0.08 o 0.4 (see Supplemen a y Table S 1). Despi e all
he ansi ions sha ing he same Eup o 4.2 K (Supplemen a y Table S 1), he di e en line opaci ies allow o cons ain he exci a ion
empe a u e o 13±7. The de i ed column densi y is 9.2×1014 cm−2.
S 1.3. Hyd ogen cyanide (HCN)
The HCN 1 →0 ansi ion appea s in abso p ion, which can be due o il e ing o ex ended emission by he in e e ome e and/o
possible in all mo ions (see Supplemen a y Fig. S 3). This p e en us o pe o m a p ope i . The e o e, we es ima ed i s column
densi y using one o hei iso opologues. H13CN is op ically icke han HC15N (τ=0.13 and 0.056 espec i ely; see Supplemen a y
Table S 1). The e o e, we use HC15N molecule o ob ain he i o HCN. Fi ing i s empe a u e o 20 K, and using he 14N/15N
iso opic a io, we ob ained a inal HCN column densi y o 4.4×1015 cm−2(see Table B.1).
S 1.4. Hyd ogen cyanide (HNC)
Simila ly o HCN, he HNC 1 →0 ansi ion shows an abso p ion p o ile p obably due o il e ing o ex ended emission and/o in all,
which p e en s us o pe o m he i (see Supplemen a y Fig. S 4). The 1−0 ansi ions o he HN13C and H15NC iso opologues a e
de ec ed and appea unblended (see Supplemen a y Fig. S 4). Since he H15NC line is e y weak and close o he noise o he
spec um, we ha e chosen HN13C o ob ain he HNC column densi y. We de i ed a alue o 4.9×1014 cm−2by applying he 12C/13C
iso opic a io (see Table B.1).
S 1.5. Ca bon monoxide (CO)
The 1 →0 ansi ions o CO and 13CO also show line p o iles se e ely a ec ed by abso p ion (see Supplemen a y Fig. S 5), so
we ha e no pe o med hei i s. The emaining de ec ed iso opologues (C18O, C17O and 13C18O) a e signi ican ly less a ec ed by
he abso p ion, and hence we pe o med he LTE i s. We used he op ically hinne iso opologue 13C18O o de i e he CO column
densi y. Using he 12C/13C and 16O/18O iso opic a ios, we ob ained a column densi y o CO o 1.5×1019 cm−2(see Table B.1).
S 1.6. Diazenylium (N2H+)
The pa e n o hype ine ansi ions o N2H+1→0 is de ec ed (see Supplemen a y Fig. S 6). We i ed he hype ine componen s
using he HFS en y o CDMS. The ansi ions a e op ically hin (τ<0.21, see Supplemen a y Table S 1). The ob ained column
densi y is 6.7 ×1013 cm−2(Table B.1).
S 1.7. Me hanimine (H2CNH)
We de ec ed he low-ene gy 40,4→31,3 ansi ions o H2CNH, which appea unblended (see Supplemen a y Fig. S 7). The ansi ion
is op ically hin (τ=0.015, see Supplemen a y Table S 1). Fi ing he exci a ion empe a u e o 20 K, he de i ed column densi y is
1.8 ×1014 cm−2(Table B.1).
S 1.8. Oxome hylium (HCO+)
The 1 →0 ansi ion o he main iso opologue o HCO+is a ec ed by abso p ion, due o il e ing o ex ended emission and/o in all
(see Supplemen a y Fig. S 8). The e o e o ob ain a eliable column densi y, we used an iso opologue. The HC17O+iso opologue
is no de ec ed, and hence we de i ed an uppe limi (Table B.1). The ansi ions o H13CO+and HC18O+a e de ec ed, and appea
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unblended (Supplemen a y Fig. S 8). We used HC18O+because is op ically hinne (see Supplemen a y Table S 1). Using he
16O/18O a io we de i ed a HCO+column densi y o 1.1 ×1015 cm−2(Table B.1).
S 1.9. Fo maldehyde (H2CO)
The 61,5→61,6 ansi ion o H2CO is de ec ed (see Supplemen a y Fig. S 9). Using a ixed empe a u e o 20 K, we ob ained a
column densi y o 1.4×1015 cm−2(Table B.1), and a opaci y o τ=0.019 (Supplemen a y Table S 1).
S 1.10. Me hanol (CH3OH)
Se e al ansi ions o CH3OH, shown in Supplemen a y Fig. S 10, a e de ec ed. Fo his molecule, he addi ion o a second b oade
componen was needed o p ope ly i he obse ed line p o iles, which p esen high eloci y wings. The ansi ions a e op ically hin,
excep he 20,2,0→10,1,0 ansi ion, which is sligh ly op ically hick (τ=0.52 and τ=0.32 o he b oad and na ow componen
espec i ely, see Supplemen a y Table S 1). The Tex de i ed o he na ow and b oad componen s con e ge o 20.5±1.8 K and
9.9±0.9 K, espec i ely (Table B.1). We de i ed column densi ies o 3.5 and 3.8 ×1015 cm−2 o he na ow and b oad componen s,
espec i ely.
S 1.11. Cyclop openylidene (c-C3H2)
The 21,2,0→10,1,0 ansi ion is clea ly de ec ed (see Supplemen a y Fig. S 11). Using a ixed alue o Tex=20 K, he i p o ides a
line opaci y o τ=2 (see Supplemen a y Table S 1). We also sea ched o he 13C iso opologues, bu hey a e no de ec ed. We hus
conside he alue o he column densi y ob ained om he main iso opologue, which is 5.0 ×1013 cm−2.
S 1.12. P opyne (CH3CCH)
The Kladde s o he J=5→4 and J=6→5 o a ional ansi ions o CH3CCH a e de ec ed (see Supplemen a y Fig. S 12). The
i p o ides Tex=37±3 K, and N=8.6 ×1014 cm−2(Table B.1), and low line opaci ies (τ < 0.046, see Supplemen a y Table S 1).
S 1.13. Me hyl cyanide (CH3CN)
The Kladde s o he J=5→4 and J=6→5 o a ional ansi ions o CH3CN ansi ions a e de ec ed (Supplemen a y Fig. S 13).
The i p o ides Tex=58±3 K, and N=2.4 ×1014 cm−2(Table B.1), and low line opaci ies (τ < 0.054, see Supplemen a y Table S 1).
S 1.14. Cyanamide (NH2CN)
The 51,5,0→41,4,0and 51,4,0→41,3,0 ansi ions a e de ec ed (Supplemen a y Fig. S 14). Since bo h ansi ions ha e he same Eup
(Supplemen a y Table S 1), we ixed Tex o 20 K, and ob ained N=5.0 ×1012 cm−2(Table B.1).
S 1.15. Ke ene (H2CCO)
The 51,5→41,4, 51,4→41,3, and 50,5→40,4 ansi ions a e de ec ed (Supplemen a y Fig. S 15). Using a ixed alue o Tex=20 K
we de i ed a column densi y o 7.1 ×1013 cm−2(Table B.1), and op ically hin lines (τ<0.019, see Supplemen a y Table S 1).
S 1.16. Isocyanic acid (HNCO)
Mul iple 50,5,X→40,4,Xand 40,4,X→30,3,X ansi ions (see Supplemen a y Table S 1) a e de ec ed, as shown in Supplemen a y Fig.
S 16. The i p o ides Tex=15.0±1.6 K, and N=2.6 ×1014 cm−2(Table B.1).
S 1.17. Ace aldehyde (CH3CHO)
Mul iple ansi ions o his molecule, shown in Fig. 2, a e de ec ed, co e ing a wide ange o Eup (see Supplemen a y Table S 1),
which allows o p ope ly cons ain he exci a ion empe a u e. We de i ed Tex=13.3±0.8 K, and N=2.0 ×1014 cm−2(Table B.1).
The ansi ions a e op ically hin (τ<0.070, see Supplemen a y Table S 1).
S 1.18. Ca bon monosul ide (CS)
The CS 2 →1 o a ional ansi ion shows an abso p ion p o ile p obably due o il e ing o ex ended emission and/o in all, which
p e en s us o pe o m he i (Supplemen a y Fig. S 17). Mul iple iso opologues o a e also de ec ed: 13CS, C33S, C34S, C36S and
13C34S, as shown in Supplemen a y Fig. S 17. Since he spec al se up inly co e s a single o a ional ansi ion, we ixed Tex o 20
K. 13CS and C34S iso opologues a e op ically hick (τ=0.32 and 0.38 espec i ely, see Supplemen a y Table S 1), while C33S has
a sligh ly lowe line opaci y (τ=0.24). Despi e bo h emaining iso opologues being op ically hin (τ∼0.01), we choose C36S o e
13C34S o ob ain he column densi y o he main molecule because he esul an column densi y o CS is sligh ly highe (a ac o o
A icle numbe , page 2 o 30
1.5) using C36S. Finally, we apply he 32S/34S and 34S/36S iso opic a ios o he C36S iso opologue, hus we ob ained a CS column
densi y o 9 ×1015 cm−2.
S 1.19. Fo mamide (NH2CHO)
The ansi ions o NH2CHO a e unblended, excep o he 50,5,X→40,4,Xand 51,4,X→41,3,X ansi ions which a e con amina ed
wi h an uniden i ied species, ne e heless, hey help o ep oduce he obse ed spec um (see Fig. 3). The FWHM is ixed o 6.5 km
s−1(see Table B.1), ob aining an op ically hin LTE i (τ<0.014; see Supplemen a y Table S 1). We de i e a column densi y o
2.63 ×1013 cm−2 o NH2CHO.
S 1.20. Thiome hylium (HCS+)
The only 2 →1 HCS+ ansi ion is de ec ed (see Supplemen a y Fig. S 18). The empe a u e is ixed o 20K (see Table B.1) because
he e is only one ansi ion a ailable. The i p o ides op ically hin ansi ions (τ=0.061, see Supplemen a y Table S 1) and a
esul an column densi y o 3.1 ×1013 cm−2.
S 1.21. Thio o maldehyde (H2CS)
Th ee H2CS ansi ions a e de ec ed (see Supplemen a y Fig. S 19). Due o he b oade line p o ile and high eloci y wings, we
use wo componen s o pe o m he i . The ob ained i ha e a empe a u e o 25±4 K and 69 ±24 K o he na ow and b oad
componen , espec i ely (see Table B.1). The esul an he LTE i ha e op ically hin ansi ions (τ<0.099, see Supplemen a y
Table S 1). We ob ained a column densi y o 0.19 (na ow) and 1.3 (b oad) ×1015 cm−2 o each componen .
S 1.22. Dime hyl e he (CH3OCH3)
The mul iple CH3OCH3 ansi ions a e de ec ed (see Supplemen a y Fig. S 20) and he 42,3,X→41,4,X ansi ions despi e hei
ain ness, hey con ibu e o ep oduce he obse ed spec um. The FWHM is ixed o 6.5 km s−1(see Table B.1), he ansi ions
o he esul an i a e op ically hin (τ<0.009, see Supplemen a y Table S 1) and he de i ed column densi y o CH3OCH3is 3.8
×1014 cm−2.
S 1.23. Ni ogen Sul ide (NS)
The 31,3,X→2−1,2,Xand 3−1,3,X→21,2,X ansi ions a e de ec ed (see Supplemen a y Fig. S 21). We ixed he empe a u e o T=20
K (see Table B.1) because he ene gy o he ansi ions is e y simila (Eup ∼8.8 K). The i ha we ob ained ha e op ically hin
ansi ions (τ<0.096, see Supplemen a y Table S 1) and he column densi y is 2.5 ×1014 cm−2.
S 1.24. E hanol (C2H5OH)
The mul iple C2H5OH ansi ions a e de ec ed (see Supplemen a y Fig. S 22). We pe o m he LTE i ob aining Tex =23 ±4 (see
Table B.1) and op ically hin lines (τ<0.009, see Supplemen a y Table S 1). We ob ained a column densi y o 3.4 ×1014 cm−2.
S 1.25. Me hyl me cap an (CH3SH)
The CH3SH ansi ions a e unblended excep o he 41,3,1→31,2,1 ansi ion, which is sligh ly blended wi h H2C34S (see Fig. 4).
We pe o m he i and we ob ained op ically hin lines (τ<0.032, see Supplemen a y Table S 1). The esul an column densi y o
he i is 1.3 ×1014 cm−2.
S 1.26. Cyanoace ylene (HC3N)
The h ee HC3N ansi ions a e de ec ed (see Supplemen a y Fig. S 23). We add a second componen o i his molecule due o he
b oadening o he line p o ile and high eloci y wings. Howe e , he i p o ides us wi h sligh ly op ically hick lines (τ<0.23, see
Supplemen a y Table S 1). The e o e, we sea ch o iso opologues and we de ec ed h ee (see Supplemen a y Fig. S 23): H13CCCN,
HC13CCN and HCC13CN. Two ou o h ee ansi ions o HCC13CN a e no well i ed wi h espec o he obse ed spec um.
Thus, we will use he H13CCCN and HC13CCN iso opologues o ob ain HC3N column densi y. The only blended ansi ion o bo h
iso opologues is he 11 →10 o H13CCCN which is blended wi h CH3CN. The FWHM o H13CCCN and HCC13CN is ixed o
4.5 km s−1which is he alue which ha con e ged o he HC13CCN iso opologue (see Table B.1). The i shows ha hey a e also
op ically hin (τ<0.011). Thus, we used he column densi ies o H13CCCN and HC13CCN o ob ain he alue o HC3N. Using he
12C/13C a io, we de i e a column densi y alue o 1.5 ×1014 cm−2.
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S 1.27. Vinyl cyanide (C2H3CN)
Se e al C2H3CN ansi ions a e de ec ed (see Supplemen a y Fig. S 24). The e a e only wo blended ansi ions: 100,10 →90,9
and 101,9→91,8wi h C2H5OH and H13CCCN, espec i ely, and hey help o ep oduce he obse a ional spec um. We ixed he
FWHM o 6.5 km s−1(see Table B.1) and he ansi ions o he i a e op ically hin (τ<0.031, see Supplemen a y Table S 1). The
column densi y o C2H3CN is 3.2 ×1013 cm−2.
S 1.28. Me hyl o ma e (CH3OCHO)
Mul iple CH3OCHO ansi ions a e de ec ed (see Supplemen a y Fig. S 25). The exci a ion empe a u e o he i is 26 ±12 K (see
Table B.1) and he ansi ions a e op ically hin (τ<0.003, see Supplemen a y Table S 1). The column densi y ob ained is 1.3 ×1014
cm−2.
S 1.29. Ca bonyl sul ide (OCS)
Th ee ansi ions o OCS a e de ec ed (see Supplemen a y Fig. S 26). To ep oduce he b oad line p o ile, we add a second compo-
nen o he i . We ix he empe a u e o he na ow componen (see Table B.1) and he ansi ions o he esul an i a e op ically
hin (τ<0.13, see Supplemen a y Table S 1). We ob ained hese column densi ies o each componen , 8.3 (na ow) and 10.8 (b oad)
×1014 cm−2.
S 1.30. Cyanodiace ylene (HC5N)
Se e al HC5N ansi ions a e de ec ed (see Supplemen a y Fig. S 27). The i con e ged, he ansi ions a e op ically hin (τ<0.005,
see Supplemen a y Table S 1) and he ob ained empe a u e is Tex =38 ±12 K. The esul an column densi y alue is 1 ×1013 cm−2.
S 2. Molecula ansi ions used in he analysis
The ansi ions used o he MADCUBA i s o he molecula emission o he analyzed species in his wo k owa ds G31.41+0.31
shock and co e (see Table B.1, B.1 and 2) a e lis ed in Supplemen a y Table S 1 and S 2, espec i ely. The ansi ions o G31.41
shock a e plo ed in Supplemen a y Appendices S 3 and S 4, and o G31.41 co e in Supplemen a y Appendices S 7 and S 8.
Table S 1: Lis o he ansi ions o he molecules analyzed in his wo k in G31.41 shock ha we e used o pe o m he MADCUBA
i s o ob ain hei physical pa ame e s (see Table B.1 and Table B.2) o de ed by inc easing molecula mass.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
De ec ed molecules
NH2D 85.92628 11,1,0→10,1,1−3.4580 20.679 5.00 ±0.17 0.088 ±0.007
NH2D 85.92628 11,1,0→10,1,1−3.4580 20.679 1.51 ±0.15 0.035 ±0.007
NH2D 110.15359 11,1,1→10,1,0−3.7187 21.259 2.14 ±0.17 0.038 ±0.007
NH2D 110.15359 11,1,1→10,1,0−3.7187 21.259 0.64 ±0.15 0.015 ±0.007
CCH 87.28410 12,1→01,1−5.2060 4.1911 1.2±0.2 0.04 ±0.03
CCH 87.31690 12,2→01,1−4.2140 4.1927 10.2±0.2 0.4±0.2
CCH 87.32859 12,1→01,0−4.5166 4.1911 5.4±0.2 0.20 ±0.11
CCH 87.40199 11,1→01,1−4.5159 4.1968 5.4±0.2 0.20 ±0.11
CCH 87.40716 11,0→01,1−4.9121 4.1970 2.3±0.2 0.08 ±0.04
CCH 87.44647 11,1→01,0−5.2044 4.1968 1.2±0.2 0.04 ±0.03
H13CN 86.33873 11→01−3.0246 4.1436 9.6±1.1 0.08 ±0.03
H13CN 86.34016 12→01−2.8027 4.1437 15.8±1.1 0.13 ±0.03
H13CN 86.34225 10→01−3.5017 4.1438 3.3±1.1 0.03 ±0.03
HC15N 86.05497 1 →0−2.5525 4.1300 4.4±0.3 0.056 ±0.012
H15NC 88.86571 1 →0−2.5690 4.2649 0.46 ±0.05 (8.5±1.9) ·10−3
HN13C 87.09083 1 →0−2.4894 4.1797 4.44 ±0.16 0.090 ±0.007
C17O 112.35878 12→03−5.6952 5.3924 2.07 ±0.17 0.39 ±0.13
C17O 112.35898 14→03−5.3942 5.3924 3.70 ±0.18 0.8±0.3
C17O 112.36001 13→03−5.5191 5.3924 2.94 ±0.18 0.59 ±0.19
C18O 109.78217 1 →0−5.0708 5.2687 29.3±0.7 0.93 ±0.08
13C18O 104.71140 12→01−5.3069 5.0254 0.52 ±0.11 0.013 ±0.005
13C18O 104.71140 11→01−5.6079 5.0254 0.26 ±0.11 (6 ±5) ·10−3
N2H+93.17162 11,0→01,1−3.7697 4.4715 1.3±1.8 0.03 ±0.09
N2H+93.17191 11,2→01,2−3.1439 4.4715 5.2±1.8 0.13 ±0.09
N2H+93.17191 11,2→01,1−3.8803 4.4715 1.0±1.8 0.02 ±0.09
N2H+93.17205 11,1→01,0−3.5859 4.4715 1.9±1.8 0.05 ±0.09
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Table S 1: Con inued.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
N2H+93.17205 11,1→01,2−3.7225 4.4715 1.4±1.8 0.03 ±0.09
N2H+93.17205 11,1→01,1−4.2155 4.4715 0.5±1.8 0.01 ±0.08
N2H+93.17347 12,2→01,1−3.1439 4.4716 5.2±1.8 0.13 ±0.09
N2H+93.17347 12,2→01,2−3.8803 4.4716 1.0±1.8 0.02 ±0.09
N2H+93.17377 12,3→01,2−2.9246 4.4716 8.4±1.8 0.21 ±0.10
N2H+93.17396 12,1→01,1−3.4811 4.4716 2.5±1.8 0.06 ±0.09
N2H+93.17396 12,1→01,0−3.7972 4.4716 1.2±1.8 0.03 ±0.09
N2H+93.17396 12,1→01,2−4.6978 4.4716 0.2±1.8 0.00 ±0.08
N2H+93.17626 10,1→01,2−3.5224 4.4718 2.2±1.8 0.05 ±0.09
N2H+93.17626 10,1→01,1−3.9256 4.4718 0.9±1.8 0.02 ±0.09
N2H+93.17626 10,1→01,0−4.0417 4.4718 0.7±1.8 0.02 ±0.08
H2CNH 105.79406 40,4→31,3−3.9162 30.619 2.34 ±0.09 0.015 ±0.002
H13CO+86.75429 1 →0−2.2808 4.1635 6.22 ±0.19 0.138 ±0.010
HC18O+85.16222 1 →0−2.3049 4.0871 1.88 ±0.17 0.042 ±0.008
H2CO 101.33299 61,5→61,6−4.0441 87.564 1.06 ±0.12 0.019 ±0.005
CH3OH 85.56813 62,4,2→71,7,2−5.0811 74.657 1.1±0.5 0.013 ±0.017
CH3OH 85.56813 62,4,2→71,7,2−5.0811 74.657 0.1±1.1 0.00 ±0.04
CH3OH 95.91431 21,2,0→11,1,0−5.1228 21.444 9.6±0.5 0.12 ±0.02
CH3OH 95.91431 21,2,0→11,1,0−5.1228 21.444 11.9±1.1 0.09 ±0.05
CH3OH 96.73936 21,2,2→11,1,2−5.1027 12.5411 28.2±1.1 0.22 ±0.06
CH3OH 96.73936 21,2,2→11,1,2−5.1027 12.5411 14.7±0.5 0.18 ±0.03
CH3OH 96.74137 20,2,0→10,1,0−4.9699 6.9643 60.3±1.1 0.52 ±0.10
CH3OH 96.74137 20,2,0→10,1,0−4.9699 6.9643 24.7±0.5 0.32 ±0.04
CH3OH 96.74455 20,2,1→10,1,1−4.9890 20.089 13.6±0.5 0.17 ±0.03
CH3OH 96.74455 20,2,1→10,1,1−4.9890 20.089 18.0±1.1 0.14 ±0.05
CH3OH 96.75550 21,1,1→11,0,1−5.1139 28.011 7.3±0.5 0.09 ±0.02
CH3OH 96.75550 21,1,1→11,0,1−5.1139 28.011 6.4±1.1 0.05 ±0.05
CH3OH 97.58280 21,1,0→11,0,0−5.1079 21.564 9.8±0.5 0.12 ±0.02
CH3OH 97.58280 21,1,0→11,0,0−5.1079 21.564 12.0±1.1 0.09 ±0.05
CH3OH 107.01383 31,3,0→40,4,0−4.6431 28.348 18.5±0.5 0.24 ±0.03
CH3OH 107.01383 31,3,0→40,4,0−4.6431 28.348 16.4±1.1 0.13 ±0.05
CH3OH 108.89395 00,0,1→11,1,2−5.0938 13.1245 24.7±1.1 0.20 ±0.06
CH3OH 108.89395 00,0,1→11,1,2−5.0938 13.1245 13.1±0.5 0.17 ±0.03
CH3OH 111.28945 72,5,0→81,8,0−4.8266 102.715 0.4±0.5 0.005 ±0.018
CH3OH 111.28945 72,5,0→81,8,0−4.8266 102.715 0.0±1.1 0.00 ±0.05
c-C3H285.33889 21,2,0→10,1,0−3.7184 6.4454 3.99 ±0.16 0.089 ±0.008
CH3CCH 85.44260 53→43−4.7776 77.336 0.87 ±0.13 (8 ±3) ·10−3
CH3CCH 85.45077 52→42−4.9082 41.210 1.51 ±0.13 0.014 ±0.003
CH3CCH 85.45567 51→41−4.8187 19.5308 3.09 ±0.13 0.028 ±0.004
CH3CCH 85.45730 50→40−4.7905 12.3040 3.90 ±0.13 0.036 ±0.004
CH3CCH 102.53035 63→53−4.4777 82.257 1.29 ±0.13 0.012 ±0.003
CH3CCH 102.54014 62→52−4.6526 46.131 2.03 ±0.13 0.019 ±0.003
CH3CCH 102.54602 61→51−4.5822 24.452 3.96 ±0.13 0.037 ±0.004
CH3CCH 102.54798 60→50−4.5595 17.2254 4.93 ±0.13 0.046 ±0.005
CH3CN 91.95873 54,0→44,0−3.8674 127.541 0.9±0.4 (2 ±3) ·10−3
CH3CN 91.97113 5−3,0→43,0−3.5450 77.545 3.9±0.4 (8 ±4) ·10−3
CH3CN 91.97113 53,0→4−3,0−3.5450 77.545 3.9±0.4 (8 ±4) ·10−3
CH3CN 91.97999 52,0→42,0−3.3752 41.825 9.5±0.4 0.021 ±0.004
CH3CN 91.98531 51,0→41,0−3.2861 20.390 15.7±0.4 0.034 ±0.004
CH3CN 91.98709 50,0→40,0−3.2580 13.2441 18.4±0.4 0.040 ±0.004
CH3CN 110.33035 65,0→55,0−3.8013 197.098 0.3±0.4 (1 ±4) ·10−3
CH3CN 110.34947 64,0→54,0−3.4485 132.837 1.9±0.4 (4 ±4) ·10−3
CH3CN 110.36435 6−3,0→53,0−3.2456 82.842 6.0±0.4 0.013 ±0.004
CH3CN 110.36435 63,0→5−3,0−3.2456 82.842 6.0±0.4 0.013 ±0.004
CH3CN 110.37499 62,0→52,0−3.1201 47.122 13.2±0.4 0.029 ±0.004
CH3CN 110.38137 61,0→51,0−3.0501 25.687 20.8±0.4 0.046 ±0.004
CH3CN 110.38350 60,0→50,0−3.0275 18.5417 24.2±0.4 0.054 ±0.005
NH2CN 99.31120 51,5,0→41,4,0−3.0431 28.797 1.05 ±0.09 (9 ±3) ·10−3
NH2CN 100.62950 51,4,0→41,3,0−3.0319 28.987 1.06 ±0.09 (9 ±3) ·10−3
A icle numbe , page 5 o 30

A&A p oo s: manusc ip no. ou pu
Table S 1: Con inued.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
H2CCO 100.09451 51,5→41,4−3.7629 27.463 1.69 ±0.13 0.019 ±0.004
H2CCO 101.03663 50,5→40,4−4.1955 14.5474 1.13 ±0.13 0.013 ±0.004
H2CCO 101.98143 51,4→41,3−3.7471 27.735 1.70 ±0.13 0.019 ±0.004
HNCO 87.59656 41,4,3→31,3,3−5.4785 53.785 0.0±0.3 0.000 ±0.011
HNCO 87.59734 41,4,5→31,3,4−4.1872 53.785 0.4±0.3 0.004 ±0.011
HNCO 87.59734 41,4,4→31,3,3−4.3024 53.785 0.3±0.3 0.003 ±0.011
HNCO 87.59734 41,4,3→31,3,2−4.4205 53.785 0.2±0.3 0.002 ±0.011
HNCO 87.59799 41,4,4→31,3,4−5.4785 53.785 0.0±0.3 0.000 ±0.011
HNCO 87.92438 40,4,3→30,3,3−5.3846 10.5494 0.4±0.3 0.003 ±0.011
HNCO 87.92504 40,4,3→30,3,4−7.1840 10.5493 0.0±0.3 0.000 ±0.011
HNCO 87.92525 40,4,5→30,3,4−4.0933 10.5493 7.6±0.3 0.067 ±0.014
HNCO 87.92525 40,4,4→30,3,3−4.2085 10.5494 5.9±0.3 0.052 ±0.013
HNCO 87.92525 40,4,3→30,3,2−4.3266 10.5493 4.5±0.3 0.039 ±0.012
HNCO 87.92590 40,4,4→30,3,4−5.3846 10.5493 0.4±0.3 0.003 ±0.011
HNCO 88.23849 41,3,3→31,2,3−5.4722 53.862 0.0±0.3 0.000 ±0.011
HNCO 88.23904 41,3,5→31,2,4−4.1809 53.862 0.4±0.3 0.004 ±0.011
HNCO 88.23904 41,3,4→31,2,3−4.2961 53.862 0.3±0.3 0.003 ±0.011
HNCO 88.23904 41,3,3→31,2,2−4.4142 53.862 0.2±0.3 0.002 ±0.011
HNCO 88.23951 41,3,4→31,2,4−5.4722 53.862 0.0±0.3 0.000 ±0.011
HNCO 109.90492 50,5,4→40,4,4−5.2946 15.8239 0.3±0.3 0.003 ±0.011
HNCO 109.90576 50,5,6→40,4,5−3.8241 15.8239 8.2±0.3 0.074 ±0.014
HNCO 109.90576 50,5,5→40,4,4−3.9143 15.8239 6.7±0.3 0.060 ±0.013
HNCO 109.90576 50,5,4→40,4,3−4.0058 15.8239 5.5±0.3 0.049 ±0.013
HNCO 109.90643 50,5,5→40,4,5−5.2945 15.8240 0.3±0.3 0.003 ±0.011
CH3CHO 93.58091 51,5,0→41,4,0−4.4093 15.7469 3.93 ±0.14 0.057 ±0.008
CH3CHO 93.59523 51,5,1→41,4,1−4.4093 15.8216 3.91 ±0.14 0.057 ±0.008
CH3CHO 95.94744 50,5,2→40,4,2−4.3672 13.9338 4.80 ±0.14 0.070 ±0.008
CH3CHO 95.96346 50,5,0→40,4,0−4.3672 13.8368 4.83 ±0.14 0.070 ±0.008
CH3CHO 96.27425 52,4,0→42,3,0−4.4528 22.934 2.09 ±0.14 0.030 ±0.007
CH3CHO 96.36779 53,3,0→43,2,0−4.5863 34.256 0.69 ±0.14 (10 ±7) ·10−3
CH3CHO 96.36837 53,2,2→43,1,2−4.5863 34.260 0.69 ±0.14 (10 ±7) ·10−3
CH3CHO 96.37179 53,2,0→43,1,0−4.5863 34.256 0.69 ±0.14 (10 ±7) ·10−3
CH3CHO 96.42561 52,4,1→42,3,1−4.4539 22.911 2.08 ±0.14 0.030 ±0.007
CH3CHO 96.47552 52,3,2→42,2,2−4.4535 23.025 2.07 ±0.14 0.030 ±0.007
CH3CHO 96.63266 52,3,0→42,2,0−4.4496 22.964 2.09 ±0.14 0.030 ±0.007
CH3CHO 98.86331 51,4,2→41,3,2−4.3627 16.5889 3.92 ±0.14 0.057 ±0.008
CH3CHO 98.90094 51,4,0→41,3,0−4.3622 16.5133 3.94 ±0.14 0.057 ±0.008
CH3CHO 112.24872 61,6,0→51,5,0−4.1738 21.134 3.89 ±0.14 0.057 ±0.008
CH3CHO 112.25451 61,6,1→51,5,1−4.1737 21.209 3.87 ±0.14 0.057 ±0.008
CH3CHO 114.94017 60,6,2→50,5,2−4.1386 19.4500 4.64 ±0.14 0.069 ±0.008
CH3CHO 114.95990 60,6,0→50,5,0−4.1386 19.3539 4.67 ±0.14 0.069 ±0.008
CH3CHO 115.49392 62,5,0→52,4,0−4.1984 28.477 2.13 ±0.14 0.031 ±0.007
CH3CHO 115.69505 62,5,1→52,4,1−4.2029 28.464 2.11 ±0.14 0.031 ±0.007
CH3CHO 115.91032 62,4,2→52,3,2−4.2014 28.588 2.10 ±0.14 0.031 ±0.007
13CS 92.49431 2 →1−2.7959 6.6586 13.2±0.3 0.317 ±0.019
13CS 92.49431 2 →1−2.7959 6.6586 33.2±0.5 0.289 ±0.019
C33S 97.16629 20,1→10,2−4.5142 6.9952 0.5±0.2 0.010 ±0.015
C33S 97.16951 20,2→10,2−3.7080 6.9953 2.9±0.2 0.06 ±0.03
C33S 97.17184 20,4→10,3−3.1340 6.9953 10.2±0.2 0.24 ±0.12
C33S 97.17184 20,3→10,2−3.4138 6.9955 5.6±0.2 0.13 ±0.06
C33S 97.17184 20,1→10,1−3.8152 6.9952 2.3±0.2 0.05 ±0.03
C33S 97.17262 20,2→10,3−4.7360 6.9954 0.3±0.2 0.006 ±0.014
C33S 97.17500 20,3→10,3−3.7818 6.9955 2.4±0.2 0.05 ±0.03
C33S 97.17527 20,2→10,1−3.8152 6.9953 2.3±0.2 0.05 ±0.03
C34S 96.41295 20→10−2.7462 6.9406 17.4±0.4 0.38 ±0.02
C34S 96.41295 20→10−2.7462 6.9406 47.7±0.6 0.35 ±0.02
13C34S 90.92603 2 →1−2.8223 6.5456 1.29 ±0.08 0.014 ±0.003
C36S 95.01672 280 →180 −2.7651 6.8401 0.75 ±0.07 0.011 ±0.003
NH2CHO 84.54142 40,4,3→30,3,3−5.2848 10.1571 0.06 ±0.17 (1 ±6) ·10−3
A icle numbe , page 6 o 30
Table S 1: Con inued.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
NH2CHO 84.54240 40,4,5→30,3,4−3.9935 10.1572 1.12 ±0.17 0.012 ±0.007
NH2CHO 84.54240 40,4,4→30,3,3−4.1087 10.1572 0.86 ±0.17 (10 ±6) ·10−3
NH2CHO 84.54240 40,4,3→30,3,2−4.2268 10.1572 0.66 ±0.17 (7 ±6) ·10−3
NH2CHO 84.54312 40,4,4→30,3,4−5.2848 10.1572 0.06 ±0.17 (1 ±6) ·10−3
NH2CHO 85.09324 42,2,3→32,1,2−4.3631 22.120 0.24 ±0.17 (3 ±6) ·10−3
NH2CHO 85.09330 42,2,5→32,1,4−4.1298 22.120 0.41 ±0.17 (5 ±6) ·10−3
NH2CHO 85.09332 42,2,3→32,1,3−5.4211 22.120 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 85.09347 42,2,4→32,1,4−5.4211 22.120 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 85.09353 42,2,4→32,1,3−4.2450 22.120 0.31 ±0.17 (3 ±6) ·10−3
NH2CHO 87.84853 41,3,4→31,2,4−5.2840 13.5244 0.05 ±0.17 (1 ±6) ·10−3
NH2CHO 87.84886 41,3,3→31,2,2−4.2260 13.5244 0.52 ±0.17 (6 ±6) ·10−3
NH2CHO 87.84891 41,3,5→31,2,4−3.9928 13.5245 0.89 ±0.17 (10 ±6) ·10−3
NH2CHO 87.84898 41,3,4→31,2,3−4.1079 13.5245 0.68 ±0.17 (8 ±6) ·10−3
NH2CHO 87.84946 41,3,3→31,2,3−5.2840 13.5245 0.05 ±0.17 (1 ±6) ·10−3
NH2CHO 102.06241 51,5,4→41,4,4−5.2459 17.6839 0.03 ±0.17 (0 ±6) ·10−3
NH2CHO 102.06431 51,5,6→41,4,5−3.7754 17.6840 1.00 ±0.17 0.011 ±0.007
NH2CHO 102.06438 51,5,4→41,4,3−3.9571 17.6840 0.66 ±0.17 (7 ±6) ·10−3
NH2CHO 102.06438 51,5,5→41,4,4−3.8657 17.6840 0.82 ±0.17 (9 ±6) ·10−3
NH2CHO 102.06595 51,5,5→41,4,5−5.2459 17.6841 0.03 ±0.17 (0 ±6) ·10−3
NH2CHO 105.46330 50,5,4→40,4,4−5.1964 15.2187 0.04 ±0.17 (0 ±6) ·10−3
NH2CHO 105.46426 50,5,6→40,4,5−3.7259 15.2187 1.26 ±0.17 0.014 ±0.007
NH2CHO 105.46429 50,5,4→40,4,3−3.9076 15.2187 0.83 ±0.17 (9 ±7) ·10−3
NH2CHO 105.46433 50,5,5→40,4,4−3.8162 15.2187 1.02 ±0.17 0.012 ±0.007
NH2CHO 105.46511 50,5,5→40,4,5−5.1964 15.2188 0.04 ±0.17 (0 ±6) ·10−3
NH2CHO 105.97232 52,4,4→42,3,4−5.2848 27.185 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 105.97266 52,4,4→42,3,3−3.9961 27.185 0.34 ±0.17 (4 ±6) ·10−3
NH2CHO 105.97268 52,4,6→42,3,5−3.8144 27.185 0.51 ±0.17 (6 ±6) ·10−3
NH2CHO 105.97283 52,4,5→42,3,4−3.9046 27.185 0.41 ±0.17 (5 ±6) ·10−3
NH2CHO 105.97311 52,4,5→42,3,5−5.2848 27.185 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 106.54156 52,3,4→42,2,4−5.2802 27.233 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 106.54177 52,3,4→42,2,3−3.9914 27.233 0.34 ±0.17 (4 ±6) ·10−3
NH2CHO 106.54178 52,3,6→42,2,5−3.8098 27.233 0.51 ±0.17 (6 ±6) ·10−3
NH2CHO 106.54187 52,3,5→42,2,4−3.9000 27.233 0.41 ±0.17 (5 ±6) ·10−3
NH2CHO 106.54204 52,3,5→42,2,5−5.2802 27.233 0.02 ±0.17 (0 ±6) ·10−3
NH2CHO 109.75324 51,4,5→41,3,5−5.1842 18.7917 0.03 ±0.17 (0 ±6) ·10−3
NH2CHO 109.75355 51,4,4→41,3,3−3.8954 18.7917 0.67 ±0.17 (8 ±6) ·10−3
NH2CHO 109.75358 51,4,6→41,3,5−3.7137 18.7917 1.01 ±0.17 0.011 ±0.007
NH2CHO 109.75362 51,4,5→41,3,4−3.8039 18.7917 0.82 ±0.17 (9 ±7) ·10−3
NH2CHO 109.75403 51,4,4→41,3,4−5.1842 18.7917 0.03 ±0.17 (0 ±6) ·10−3
HCS+85.34789 2 →1−2.9031 6.1441 4.17 ±0.16 0.061 ±0.006
H2CS 101.47762 31,3→21,2−3.6341 22.930 6.57 ±0.17 0.097 ±0.018
H2CS 101.47762 31,3→21,2−3.6341 22.930 18.2±0.3 0.021 ±0.010
H2CS 103.03999 32,2→22,1−4.3594 62.592 0.27 ±0.17 (4 ±6) ·10−3
H2CS 103.03999 32,2→22,1−4.3594 62.592 2.5±0.3 (2.9±1.9) ·10−3
H2CS 103.04022 30,3→20,2−4.0278 9.8908 4.36 ±0.17 0.064 ±0.013
H2CS 103.04022 30,3→20,2−4.0278 9.8908 8.1±0.3 (9 ±5) ·10−3
H2CS 103.05181 32,1→22,0−4.3593 62.593 0.27 ±0.17 (4 ±6) ·10−3
H2CS 103.05181 32,1→22,0−4.3593 62.593 2.5±0.3 (2.9±1.9) ·10−3
H2CS 104.61704 31,2→21,1−3.6079 23.231 6.69 ±0.17 0.099 ±0.019
H2CS 104.61704 31,2→21,1−3.6079 23.231 18.7±0.3 0.022 ±0.011
CH3OCH390.93751 60,6,0→51,5,0−5.7994 18.9745 0.27 ±0.12 (2 ±3) ·10−3
CH3OCH390.93811 60,6,1→51,5,1−5.3735 18.9758 0.73 ±0.12 (6 ±3) ·10−3
CH3OCH390.93870 60,6,5→51,5,5−6.2764 18.9759 0.09 ±0.12 (1 ±3) ·10−3
CH3OCH390.93871 60,6,3→51,5,3−5.9756 18.9759 0.18 ±0.12 (1 ±3) ·10−3
CH3OCH393.85444 42,3,3→41,4,3−6.1525 14.7172 0.14 ±0.12 (1 ±3) ·10−3
CH3OCH393.85456 42,3,5→41,4,5−5.9763 14.7171 0.21 ±0.12 (2 ±3) ·10−3
CH3OCH393.85711 42,3,1→41,4,1−5.5504 14.7172 0.56 ±0.12 (4 ±3) ·10−3
A icle numbe , page 7 o 30
A&A p oo s: manusc ip no. ou pu
Table S 1: Con inued.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
CH3OCH393.85973 42,3,0→41,4,0−5.7544 14.7172 0.35 ±0.12 (3 ±3) ·10−3
CH3OCH396.84724 52,4,3→51,5,3−6.0392 19.2593 0.15 ±0.12 (1 ±3) ·10−3
CH3OCH396.84729 52,4,5→51,5,5−6.3404 19.2593 0.07 ±0.12 (1 ±3) ·10−3
CH3OCH396.84989 52,4,1→51,5,1−5.4372 19.2593 0.59 ±0.12 (4 ±3) ·10−3
CH3OCH396.85251 52,4,0→51,5,0−5.8631 19.2593 0.22 ±0.12 (2 ±3) ·10−3
CH3OCH399.32436 41,4,3→30,3,3−5.9773 10.2138 0.24 ±0.12 (2 ±3) ·10−3
CH3OCH399.32436 41,4,5→30,3,5−5.8012 10.2138 0.36 ±0.12 (3 ±3) ·10−3
CH3OCH399.32522 41,4,1→30,3,1−5.3752 10.2124 0.96 ±0.12 (7 ±4) ·10−3
CH3OCH399.32607 41,4,0→30,3,0−5.5793 10.2123 0.60 ±0.12 (5 ±3) ·10−3
CH3OCH3111.78225 74,4,3→85,3,3−8.5795 60.631 0.00 ±0.12 (0 ±3) ·10−3
CH3OCH3111.78260 70,7,0→61,6,0−5.3051 25.249 0.54 ±0.12 (4 ±3) ·10−3
CH3OCH3111.78312 70,7,1→61,6,1−5.1010 25.249 0.87 ±0.12 (7 ±3) ·10−3
CH3OCH3111.78363 70,7,5→61,6,5−5.5269 25.250 0.32 ±0.12 (2 ±3) ·10−3
CH3OCH3111.78363 70,7,3→61,6,3−5.7030 25.250 0.22 ±0.12 (2 ±3) ·10−3
CH3OCH3115.54399 51,5,3→40,4,3−5.7603 14.6122 0.29 ±0.12 (2 ±3) ·10−3
CH3OCH3115.54400 51,5,5→40,4,5−6.0613 14.6122 0.14 ±0.12 (1 ±3) ·10−3
CH3OCH3115.54481 51,5,1→40,4,1−5.1583 14.6106 1.14 ±0.12 (9 ±4) ·10−3
CH3OCH3115.54562 51,5,0→40,4,0−5.5843 14.6107 0.43 ±0.12 (3 ±3) ·10−3
NS 115.15394 31,3,4→2−1,2,3−3.3836 8.8381 9.3±0.2 0.096 ±0.007
NS 115.15681 31,3,3→2−1,2,2−3.5843 8.8398 5.9±0.2 0.060 ±0.007
NS 115.16298 31,3,2→2−1,2,1−3.8096 8.8413 3.6±0.2 0.036 ±0.006
NS 115.18534 31,3,2→2−1,2,2−4.3045 8.8412 1.1±0.2 0.011 ±0.006
NS 115.19146 31,3,3→2−1,2,3−4.3045 8.8399 1.1±0.2 0.011 ±0.006
NS 115.48941 3−1,3,3→21,2,3−4.3015 8.8957 1.2±0.2 0.011 ±0.006
NS 115.52460 3−1,3,2→21,2,2−4.3015 8.8935 1.2±0.2 0.011 ±0.006
NS 115.55625 3−1,3,4→21,2,3−3.3807 8.8989 9.3±0.2 0.096 ±0.007
NS 115.57076 3−1,3,3→21,2,2−3.5814 8.8957 5.9±0.2 0.060 ±0.007
NS 115.57195 3−1,3,2→21,2,1−3.8067 8.8934 3.6±0.2 0.036 ±0.006
C2H5OH 85.26549 60,6,2→51,5,2−5.1507 17.4834 1.23 ±0.12 (6 ±3) ·10−3
C2H5OH 87.71612 52,4,2→51,5,2−5.2625 17.6010 0.92 ±0.12 (5 ±2) ·10−3
C2H5OH 90.11760 41,4,2→30,3,2−5.1938 9.3498 1.46 ±0.12 (7 ±3) ·10−3
C2H5OH 91.48519 62,5,2→61,6,2−5.1662 22.627 0.90 ±0.12 (4 ±2) ·10−3
C2H5OH 100.99011 82,7,2→81,8,2−5.0075 35.173 0.72 ±0.12 (4 ±2) ·10−3
C2H5OH 103.70288 91,8,2→82,7,2−5.1715 40.150 0.39 ±0.12 (2 ±2) ·10−3
C2H5OH 104.48724 70,7,2→61,6,2−4.8788 23.251 1.50 ±0.12 (7 ±3) ·10−3
C2H5OH 104.80862 51,5,2→40,4,2−4.9749 13.3914 1.78 ±0.12 (9 ±3) ·10−3
C2H5OH 106.72356 92,8,2→91,9,2−4.9393 42.688 0.59 ±0.12 (3 ±2) ·10−3
C2H5OH 112.80719 22,1,2→11,0,2−5.2320 7.5372 1.16 ±0.12 (6 ±3) ·10−3
C2H5OH 114.06494 22,0,2→11,1,2−5.2326 7.5392 1.15 ±0.12 (6 ±3) ·10−3
CH3SH 100.11022 41,3,0→31,2,0−4.7606 17.0863 1.00 ±0.11 0.019 ±0.010
CH3SH 101.02974 4−1,4,1→3−1,3,1−4.7524 16.6895 1.04 ±0.11 0.020 ±0.010
CH3SH 101.13915 40,4,0→30,3,0−4.7166 12.1359 1.65 ±0.11 0.032 ±0.013
CH3SH 101.13965 40,4,1→30,3,1−4.7183 13.5618 1.46 ±0.11 0.029 ±0.012
CH3SH 101.28437 41,3,1→31,2,1−4.7525 18.3326 0.91 ±0.11 0.018 ±0.009
CH3SH 102.20247 4−1,4,0→3−1,3,0−4.7429 17.3373 1.00 ±0.11 0.020 ±0.010
HC3N 90.97902 10 →9−2.2848 24.015 51.9±0.4 0.23 ±0.02
HC3N 90.97902 10 →9−2.2848 24.015 11.0±0.2 0.14 ±0.03
HC3N 100.07639 11 →10 −2.1673 28.818 52.2±0.4 0.23 ±0.02
HC3N 100.07639 11 →10 −2.1673 28.818 11.4±0.2 0.15 ±0.03
HC3N 109.17363 12 →11 −2.0612 34.057 50.9±0.4 0.23 ±0.02
HC3N 109.17363 12 →11 −2.0612 34.057 11.4±0.2 0.15 ±0.03
H13CCCN 88.16683 10 →9−2.3247 23.272 0.86 ±0.12 0.011 ±0.004
H13CCCN 96.98300 11 →10 −2.2070 27.927 0.83 ±0.12 0.010 ±0.004
H13CCCN 105.79911 12 →11 −2.1007 33.004 0.77 ±0.12 (10 ±4) ·10−3
H13CCCN 114.61499 13 →12 −2.0040 38.505 0.69 ±0.12 (9 ±4) ·10−3
HC13CCN 90.59306 10 →9−2.2902 23.913 0.86 ±0.11 0.011 ±0.004
HC13CCN 99.65185 11 →10 −2.1726 28.695 0.82 ±0.11 0.010 ±0.004
A icle numbe , page 8 o 30
Table S 1: Con inued.
Molecule F equency T ansi ion log I Eup A ea τ
(GHz) (nm2MHz) (K) (K km s−1)
HC13CCN 108.71053 12 →11 −2.0665 33.913 0.76 ±0.11 (10 ±4) ·10−3
HCC13CN 90.60178 10 →9−2.2901 23.915 1.01 ±0.14 0.011 ±0.011
HCC13CN 99.66147 11 →10 −2.1725 28.698 0.99 ±0.14 0.011 ±0.011
HCC13CN 108.72100 12 →11 −2.0664 33.916 0.93 ±0.14 0.011 ±0.010
C2H3CN 84.94600 90,9→80,8−3.9103 20.429 1.41 ±0.13 0.031 ±0.011
C2H3CN 85.30264 92,8→82,7−3.9411 29.135 0.56 ±0.13 0.012 ±0.009
C2H3CN 87.31281 91,8→81,7−3.8955 23.129 1.09 ±0.13 0.024 ±0.010
C2H3CN 92.42625 101,10 →91,9−3.8041 26.578 0.91 ±0.13 0.020 ±0.010
C2H3CN 94.27664 100,10 →90,9−3.7803 24.953 1.11 ±0.13 0.024 ±0.010
C2H3CN 94.76078 102,9→92,8−3.8060 33.682 0.44 ±0.13 (10 ±9) ·10−3
C2H3CN 95.32548 102,8→92,7−3.8009 33.764 0.44 ±0.13 (10 ±9) ·10−3
C2H3CN 96.98244 101,9→91,8−3.7639 27.783 0.85 ±0.13 0.019 ±0.010
C2H3CN 101.63723 111,11 →101,10 −3.6862 31.456 0.68 ±0.13 0.015 ±0.010
C2H3CN 103.57540 110,11 →100,10 −3.6642 29.924 0.82 ±0.13 0.018 ±0.010
C2H3CN 104.21265 112,10 →102,9−3.6858 38.684 0.33 ±0.13 (7 ±9) ·10−3
C2H3CN 104.96054 112,9→102,8−3.6797 38.801 0.33 ±0.13 (7 ±9) ·10−3
C2H3CN 106.64139 111,10 →101,9−3.6464 32.901 0.62 ±0.13 0.014 ±0.010
C2H3CN 110.83998 121,12 →111,11 −3.5799 36.775 0.48 ±0.13 0.011 ±0.010
C2H3CN 112.84064 120,12 →110,11 −3.5595 35.339 0.57 ±0.13 0.013 ±0.010
CH3OCHO 88.84319 71,6,2→61,5,2−5.0452 17.9569 0.37 ±0.08 (3 ±2) ·10−3
CH3OCHO 88.85161 71,6,0→61,5,0−5.0450 17.9395 0.37 ±0.08 (3 ±2) ·10−3
CH3OCHO 90.14572 72,5,2→62,4,2−5.0573 19.6834 0.34 ±0.08 (2 ±2) ·10−3
CH3OCHO 90.15647 72,5,0→62,4,0−5.0570 19.6666 0.34 ±0.08 (2 ±2) ·10−3
CH3OCHO 90.22766 80,8,2→70,7,2−4.9710 20.080 0.41 ±0.08 (3 ±2) ·10−3
CH3OCHO 90.22962 80,8,0→70,7,0−4.9708 20.061 0.41 ±0.08 (3 ±2) ·10−3
CH3OCHO 96.07073 82,7,1→72,6,1−4.9438 23.609 0.36 ±0.08 (2 ±2) ·10−3
CH3OCHO 96.07685 82,7,0→72,6,0−4.9436 23.592 0.36 ±0.08 (2 ±2) ·10−3
CH3OCHO 98.60686 83,6,1→73,5,1−4.9628 27.260 0.29 ±0.08 (2 ±2) ·10−3
CH3OCHO 98.61116 83,6,0→73,5,0−4.9621 27.244 0.29 ±0.08 (2 ±2) ·10−3
CH3OCHO 100.68154 90,9,2→80,8,2−4.8307 24.912 0.42 ±0.08 (3 ±2) ·10−3
CH3OCHO 100.68337 90,9,0→80,8,0−4.8306 24.893 0.42 ±0.08 (3 ±2) ·10−3
CH3OCHO 103.46657 82,6,2→72,5,2−4.8771 24.649 0.37 ±0.08 (3 ±2) ·10−3
CH3OCHO 103.47866 82,6,0→72,5,0−4.8769 24.633 0.38 ±0.08 (3 ±2) ·10−3
CH3OCHO 110.78866 101,10,1→91,9,1−4.7090 30.274 0.42 ±0.08 (3 ±2) ·10−3
CH3OCHO 110.79053 101,10,0→91,9,0−4.7088 30.256 0.42 ±0.08 (3 ±2) ·10−3
CH3OCHO 111.16990 100,10,2→90,9,2−4.7056 30.247 0.42 ±0.08 (3 ±2) ·10−3
CH3OCHO 111.17163 100,10,0→90,9,0−4.7055 30.229 0.43 ±0.08 (3 ±2) ·10−3
CH3OCHO 111.22349 94,6,1→84,5,1−4.8737 37.234 0.22 ±0.08 (1.5±1.9) ·10−3
OCS 85.13910 7 →6−3.7954 16.3442 8.72 ±0.19 0.119 ±0.007
OCS 85.13910 7 →6−3.7954 16.3442 10.5±0.3 0.037 ±0.009
OCS 97.30121 8 →7−3.6277 21.014 9.07 ±0.19 0.125 ±0.008
OCS 97.30121 8 →7−3.6277 21.014 11.8±0.3 0.042 ±0.010
OCS 109.46306 9 →8−3.4815 26.267 8.90 ±0.19 0.123 ±0.008
OCS 109.46306 9 →8−3.4815 26.267 12.6±0.3 0.044 ±0.011
HC5N 85.20134 32 →31 −2.3041 67.470 0.85 ±0.09 (5 ±2) ·10−3
HC5N 87.86363 33 →32 −2.2700 71.686 0.81 ±0.09 (5 ±2) ·10−3
HC5N 90.52589 34 →33 −2.2373 76.031 0.77 ±0.09 (5 ±2) ·10−3
HC5N 93.18812 35 →34 −2.2059 80.503 0.73 ±0.09 (4 ±2) ·10−3
HC5N 95.85034 36 →35 −2.1758 85.103 0.68 ±0.09 (4 ±2) ·10−3
HC5N 98.51252 37 →36 −2.1469 89.831 0.64 ±0.09 (3.9±1.9) ·10−3
HC5N 101.17468 38 →37 −2.1190 94.687 0.59 ±0.09 (3.7±1.9) ·10−3
HC5N 103.83682 39 →38 −2.0923 99.670 0.55 ±0.09 (3.4±1.8) ·10−3
Non de ec ed molecules
HC17O+87.05753 1 →0−2.2763 4.2 0.27 1.42 ·10−3
CH3NH295.14532 40,4→31,−4−4.9066 22 0.32 2.7·10−3
CH3NC 100.52425 51→41−3.0053 22 0.140 1.22 ·10−3
CH3NC 100.52654 50→40−2.9773 14.5 0.21 1.80 ·10−3
A icle numbe , page 9 o 30
A&A p oo s: manusc ip no. ou pu
Table S 3: Con inued.
Fo mula Name Mol. mass Ca alog TAG Ve sion Da e e sion
C2H5CHO P opanal 58 CDMS 58505 2 Jan. 2018
CH3COCH3Ace one 58 JPL 58003 1 Ma . 2008
CH3CONH2Ace amide 59 USER
N-CH3NHCHO N-Me hyl o mamide 59 USER
HCOCH2OH Glycolaldehyde 60 JPL 60006 2 June 2012
CH3COOH Ace ic acid 60 CDMS 60523 1 May 2019
NH2CH2CH2OH E hanolamine 61 JPL 61004 3 Sep. 2003
aGg’-(CH2OH)2aGg’- E hylene glycol 62 CDMS 62503 1 Sep. 2003
gGg’-(CH2OH)2gGg’- E hylene glycol 62 CDMS 62504 1 May 2004
CH3OCH2OH Me hoxyme hanol 62 CDMS 62527 1 Aug. 2020
HOCH2C(O)NH2Glycolamide 75 CDMS 75517 1 Dec. 2020
S 6. LTE i s o addi ional molecules de ec ed in he G31.41 co e
In he ollowing subsec ions, we desc ibe he LTE i o all he addi ional de ec ed molecules in he G31.41 co e egion o his wo k,
whose esul s a e summa ized in Table B.3. The ansi ions used o each de ec ed molecule a e depic ed in Supplemen a y Table S
1 and hey a e plo ed in Supplemen a y Appendix S 7.
S 6.1. Deu e a ed Ammonia (NH2D)
The ansi ions 52,4,1→51,4,0and 83,6,1→82,6,0o NH2D a e comple ely unblended (see Supplemen a y Fig. S 29). T ansi ions
11,1,0→10,1,1, 114,8,1→113,8,0and 11,1,1→10,1,0a e blended wi h CH3OCHO bu he ansi ions help o ep oduce he obse ed
spec um. By ixing he FWHM o 7 km s−1(see Table B.3), he ansi ions o he ob ained i a e op ically hin (τ<0.13, see
Supplemen a y Table S 1) and he esul an column densi y is 3.8 ×1016 cm−2 o NH2D.
S 6.2. Me hanimine (H2CNH)
The 5 b igh es ansi ions o H2CNH a e comple ely unblended s eng hening he de ec ion (see Supplemen a y Fig. S 30). The
ansi ions 203,18 →194,15 and 122,10 →122,11 a e con amina ed wi h n-C3H7CN and C2H3CN espec i ely, bu hey help o
ep oduce he obse ed spec um. The ansi ions om he i a e op ically hin (τ<0.072, see Supplemen a y Table S 1) and he
empe a u e con e ged o 254 ±20 K. We ob ain a column densi y alue o 1.5 ×1017 cm−2 o H2CNH. This alue is almos
an o de o magni ude highe in he ms o column densi y ha he one obse ed by Suzuki e al. (2023) a highe equency wi h
ALMA bands 5 and 6 which is (3.5 ±0.2) ×1016 cm−2.
S 6.3. Diazenylium (N2H+)
The ansi ions o N2H+a e in abso p ion, hus o ob ain he column densi y o he main iso opologue, we use he a ailable iso-
opologues: 15NNH+and N15NH+, which a e con amina ed wi h 13CH3OH and HC3N, espec i ely (see Supplemen a y Fig. S 31).
We choose N15NH+because is less con amina ed and he i is op ically hin (τ<0.082, see Supplemen a y Table S 1). The i o
N15NH+con e ged by ixing he empe a e o 50 K and he FWHM o 7 km s−1. Using he 14N/15N iso opic a io explained in Sec .
3, we de i e a column densi y alue o 7 ×1016 cm−2 o N2H+.
S 6.4. Me hyl Amine (CH3NH2)
The 4 mos in ense ansi ions o CH3NH2a e unblended (see Supplemen a y Fig. S 32). The es o he ansi ions a e blended bu
hey a e necessa y o mimic he obse ed spec um. Due o he high amoun o ansi ions used o his i , he de ec ion is s ong. By
le ing ixed he FWHM o 7 km s−1(see Table B.3), he i shows ha he ansi ions a e op ically hin (τ<0.05, see Supplemen a y
Table S 1). We ob ain a column densi y o 1.8 ×1017 cm−2. This alue is iden ical wi h he one ob ained by Suzuki e al. (2023),
which is (1.8 ±0.1) ×1017 cm−2wi h bands 5 and 6 o ALMA.
S 6.5. Ke ene (H2CCO)
The 51,5→41,4and 51,4→41,4 ansi ions o H2CCO a e unblended (see Supplemen a y Fig. S 33). The o he ansi ions a e
blended bu hey help o ep oduce he obse ed spec um. The LTE i con e ged by le ing ee all he pa ame e s, s eng hening
he de ec ion. The esul an ansi ions a e almos op ically hin (τ<0.25, see Supplemen a y Table S 1). The column densi y
ob ained is 6 ×1016 cm−2.
A icle numbe , page 16 o 30

101.320 101.350
(GHz)
0.1
0.0
0.1
0.2
0.3
T
SB(K)
CH3CHO
H
2
CO
Fig. S 9: T ansi ions o H2CO de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he obse ed
spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all de ec ed
species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing line
in ensi y o he ansi ions.
96.730 96.760
0.0
2.5
5.0
7.5
T
SB(K)
106.990 107.020
0
2
4
108.880 108.920
0
2
97.570 97.600
(GHz)
0
2
T
SB(K)
95.890 95.920
(GHz)
0
1
2
3
85.550 85.575
(GHz)
0.0
0.1
0.2
CH
3
OH
Fig. S 10: T ansi ions o CH3OH de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The e a e wo componen s i ed ( he pink and g een cu es) which a e he bes LTE i o he indi idual species,
he ed cu e is he sum o he wo componen s, and he blue cu e is he cumula i e i conside ing all de ec ed species. The ed
dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing line in ensi y o he
ansi ions.
85.330 85.345
(GHz)
0.0
0.5
1.0
T
SB(K)
HCS+
c-C
3
H
2
Fig. S 11: T ansi ions o c-C3H2de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
A icle numbe , page 17 o 30
A&A p oo s: manusc ip no. ou pu
102.520 102.550
(GHz)
0.0
0.5
1.0
1.5
T
SB(K)
85.450 85.475
(GHz)
0.0
0.5
1.0
CH
3
CCH
Fig. S 12: T ansi ions o CH3CCH de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
110.320 110.400
(GHz)
0
1
2
3
T
SB(K)
91.960 92.020
(GHz)
0
1
2
3
H41
CH
3
CN
Fig. S 13: T ansi ions o CH3CN de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
100.625 100.650
(GHz)
0.1
0.0
0.1
0.2
T
SB(K)
99.300 99.325
(GHz)
0.0
0.2
0.4
SO
CH3OCH3
NH
2
CN
Fig. S 14: T ansi ions o NH2CN de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
S 6.6. Ni ogen Sul ide (NS)
The 3−1,3,3→21,2,2and 3−1,3,2→21,2,1 ansi ions o NS a e unblended (see Supplemen a y Fig. S 34). The 3−1,3,4→21,2,3,
31,3,4→2−1,2,3and 31,3,3→2−1,2,2 ansi ions a e blended wi h CH3OCHO bu hey help o ep oduce he obse ed spec um. The
NS i con e ged by ixing he empe a u e o 50 K and he eloci y o 96.5 km s−1(see Table B.3). The ansi ions a e almos
op ically hin (τ<0.34, see Supplemen a y Table S 1). The NS column densi y ob ained is 6.1 ×1015 cm−2. We checked he N33S
and N34S is opologues bu hey a e oo ain o be de ec ed.
A icle numbe , page 18 o 30
101.975102.000
(GHz)
0.0
0.2
0.4
T
SB(K)
100.090 100.120
(GHz)
0.2
0.0
0.2
0.4
HC3N
101.020 101.050
(GHz)
0.0
0.2
0.4
CH3SH
H
2
CCO
Fig. S 15: T ansi ions o H2CCO de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
109.900 109.920
(GHz)
0
1
2
T
SB(K)
87.920 87.930
(GHz)
0
1
88.225 88.240
(GHz)
0.00
0.05
0.10
87.595 87.610
(GHz)
0.00
0.05
0.10
HNCO
Fig. S 16: T ansi ions o HNCO de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
97.975 98.000
(GHz)
0
10
20
T
SB(K)
CS
92.470 92.500
(GHz)
0
2
4
6
8
T
SB(K)
13
CS
97.160 97.180
(GHz)
0
1
2
3
T
SB(K)
C
33
S
96.400 96.410 96.420
(GHz)
0.0
2.5
5.0
7.5
10.0
T
SB(K)
C
34
S
95.005 95.020
(GHz)
0.0
0.1
0.2
T
SB(K)
C
36
S
90.925 90.950
(GHz)
0.0
0.1
0.2
0.3
T
SB(K)
CH3OCH3
13
C
34
S
Fig. S 17: T ansi ions o CS iso opologues de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow
a e he obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i
conside ing all de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e
so ed by dec easing line in ensi y o he ansi ions. Fo 13CS and C34S, we used wo componen s o i , plo ed in pink and g een.
In hese cases, he ed cu e is he sum o bo h componen s.
A icle numbe , page 19 o 30
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85.325 85.350
(GHz)
0.0
0.5
1.0
T
SB(K)
c C3H2
HCS
+
Fig. S 18: T ansi ions o HCS+de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
104.605 104.620
(GHz)
0
2
T
SB(K)
101.470 101.485
(GHz)
0
2
103.030103.045
(GHz)
0
1
2
H
2
CS
Fig. S 19: T ansi ions o H2CS de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The e a e wo componen s i ed ( he pink and g een cu es) which a e he bes LTE i o he indi idual species,
he ed cu e is he sum o he wo componen s and he blue cu e is he cumula i e i conside ing all de ec ed species. The ed
dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing line in ensi y o he
ansi ions.
115.520 115.560
0.0
0.2
0.4
T
SB(K)
NS
NS
H54
NS
99.310 99.340
0.1
0.0
0.1
0.2
0.3
NH2CN
111.760 111.800
0.0
0.1
0.2
90.925 90.950
(GHz)
0.0
0.2
0.4
T
SB(K)
13C34S
96.825 96.850 96.875
(GHz)
0.05
0.00
0.05
93.850 93.880
(GHz)
0.0
0.2
0.4
CCS
CH
3
OCH
3
Fig. S 20: T ansi ions o CH3OCH3de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
A icle numbe , page 20 o 30
115.500 115.550
(GHz)
0.0
0.5
1.0
1.5
2.0
T
SB(K)
CH3CHO
CH3OCH3
H54
115.120 115.200
(GHz)
0.0
0.5
1.0
1.5
NS
Fig. S 21: T ansi ions o NS de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he obse ed
spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all de ec ed
species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing line
in ensi y o he ansi ions.
104.800 104.830
0.0
0.2
T
SB(K)
104.470 104.500
0.0
0.1
0.2
90.100 90.125
0.0
0.1
85.250 85.275
0.0
0.1
112.780 112.810
0.0
0.1
114.040 114.080
0.0
0.1
T
SB(K)
87.700 87.725
(GHz)
0.0
0.1
91.480 91.510
(GHz)
0.1
0.0
0.1
0.2
CH3OCH3
CH3OCH3
CH3OCH3
100.975 101.000
(GHz)
0.1
0.0
0.1
106.720 106.750
(GHz)
0.2
0.0
0.2
H39
34SO
103.690 103.720
(GHz)
0.1
0.0
0.1
T
SB(K)
C
2
H
5
OH
Fig. S 22: T ansi ions o C2H5OH de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
S 7. Spec a o addi ional de ec ed molecules owa ds G31.41 co e
We show he e he spec a o he de ec ed molecules owa ds he G31.41 co e analyzed in his wo k. The esul s o he pa ame e s
ob ained om he i s a e summa ized in Table B.3, and he in o ma ion abou he ansi ions used a e lis ed in Supplemen a y Table
S 1.
A icle numbe , page 21 o 30

A&A p oo s: manusc ip no. ou pu
100.075 100.090
(GHz)
0.0
2.5
5.0
7.5
T
SB(K)
90.970 90.985
(GHz)
0.0
2.5
5.0
7.5
109.160 109.180
(GHz)
0.0
2.5
5.0
7.5
HC
3
N
88.150 88.175
(GHz)
0.0
0.1
T
SB(K)
96.975 97.000
(GHz)
0.0
0.2
C2H3CN
105.775 105.800
(GHz)
0.0
0.2
0.4
H2CNH
CH3OCHO
114.610 114.640
(GHz)
0.0
0.1
0.2
0.3
C2H3CN
H
13
CCCN
90.580 90.595
(GHz)
0.0
0.2
0.4
T
SB(K)
HCC13CN
99.640 99.660
(GHz)
0.0
0.2
HCC13CN
108.700 108.720
(GHz)
0.0
0.2
0.4
HCC13CN
HC
13
CCN
90.595 90.610
(GHz)
0.0
0.2
0.4
T
SB(K)
HC13CCN
99.655 99.670
(GHz)
0.0
0.2
HC13CCN
CH2DOH
108.715108.730
(GHz)
0.1
0.0
0.1
0.2
0.3
HC13CCN
HCC
13
CN
Fig. S 23: T ansi ions o HC3N iso opologues de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow
a e he obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i
conside ing all de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e
so ed by dec easing line in ensi y o he ansi ions. Fo HC3N, we used wo componen s o i , plo ed in pink and g een. In hese
cases, he ed cu e is he sum o bo h componen s.
S 8. Spec a o addi ional no de ec ed molecules owa ds G31.41 co e
The spec a o he ansi ions used o ob ain he column densi y uppe limi s owa ds he G31.41 co e, p esen ed in Table B.3,
a e shown in Supplemen a y Fig. S 35, and he in o ma ion abou he ansi ions used a e included in Supplemen a y Table S 1.
The uppe limi s a e calcula ed by using he b igh es ansi ions acco ding o he LTE model ha a e no hea ily blended, and by
pe o ming a isual inspec ion o make he uppe limi s compa ible wi h he obse ed spec a (explained in mo e de ail in Sec .
3.2.2).
A icle numbe , page 22 o 30
84.940 84.960
0.0
0.2
T
SB(K)
94.260 94.280
0.0
0.1
0.2
0.3
C2H5OH
87.300 87.320
0.0
0.2
0.4
CCH
CCH
96.975 97.000
0.0
0.2
0.4
H13CCCN
103.560 103.580
0.1
0.0
0.1
101.625 101.650
0.1
0.0
0.1
T
SB(K)
106.625 106.650
0.1
0.0
0.1
112.825 112.850
0.1
0.0
0.1
85.300 85.320
0.1
0.0
0.1
0.2
110.825 110.850
(GHz)
0.1
0.0
94.750 94.775
(GHz)
0.0
0.1
T
SB(K)
95.320 95.340
(GHz)
0.0
0.1
U
104.200 104.225
(GHz)
0.1
0.0
0.1
CH2DCN
104.950 104.975
(GHz)
0.1
0.0
0.1
C
2
H
3
CN
Fig. S 24: T ansi ions o C2H3CN de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions. The label U in he plo s indica es ha he emission co esponds o an uniden i ied species.
90.220 90.240
0.0
0.1
T
SB(K)
89.300 89.320
0.00
0.05
0.10
0.15
88.840 88.860
0.0
0.1
0.2
H15NC
111.150 111.175
(GHz)
0.1
0.0
0.1
T
SB(K)
110.775 110.800
(GHz)
0.1
0.0
0.1
0.2
103.475 103.500
(GHz)
0.1
0.0
0.1
CH
3
OCHO
Fig. S 25: T ansi ions o CH3OCHO de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions.
A icle numbe , page 23 o 30
A&A p oo s: manusc ip no. ou pu
97.290 97.300 97.310
(GHz)
0
1
2
3
T
SB(K)
109.450 109.465
(GHz)
0
1
2
3
85.135 85.150
(GHz)
0
1
2
OCS
Fig. S 26: T ansi ions o OCS de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he obse ed
spec um. The e a e wo componen s i ed ( he pink and g een cu es) which a e he bes LTE i o he indi idual species, he ed
cu e is he sum o he wo componen s and he blue cu e is he cumula i e i conside ing all de ec ed species. The ed dashed
lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing line in ensi y o he ansi ions.
85.195 85.210
0.1
0.0
0.1
0.2
T
SB(K)
HOCO+
87.860 87.870
0.1
0.0
0.1
0.2
90.520 90.535
0.0
0.1
0.2
U
93.180 93.190 93.200
0.0
0.2
0.4
95.845 95.860
(GHz)
0.0
0.1
T
SB(K)
98.510 98.520
(GHz)
0.1
0.0
0.1
101.170 101.185
(GHz)
0.1
0.0
0.1
0.2
CH3SH
CH3SH
103.825 103.840
(GHz)
0.1
0.0
0.1
0.2
C2H5OH
HC
5
N
Fig. S 27: T ansi ions o HC5N de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he
obse ed spec um. The ed cu e is he bes LTE i o he indi idual species and he blue cu e is he cumula i e i conside ing all
de ec ed species. The ed dashed lines indica e he equency o he ansi ions ha we a e i ing. The plo s a e so ed by dec easing
line in ensi y o he ansi ions. The label U in he plo s indica es ha he emission co esponds o an uniden i ied species.
A icle numbe , page 24 o 30
95.125 95.150
(GHz)
0.1
0.0
0.1
0.2
T
SB(K)
CH
3
NH
2
100.525 100.550
(GHz)
0.1
0.0
0.1
T
SB(K)
CH
3
NC
104.860 104.880
(GHz)
0.0
0.1
T
SB(K)
HOCN
94.650 94.675
(GHz)
0.0
0.1
T
SB(K)
CH3OCHO
c-C
2
H
4
O
111.730 111.760
(GHz)
0.0
0.1
0.2
T
SB(K)
CH3OCHO
-HCOOH
93.940 93.960
(GHz)
0.05
0.00
0.05
0.10
T
SB(K)
HONO
86.980 87.000
(GHz)
0.0
0.1
0.2
T
SB(K)
Z-HNCHCN
87.020 87.040
(GHz)
0.05
0.00
0.05
0.10
0.15
T
SB(K)
C2H5OHC2H5OH
C
2
H
5
CHO
97.925 97.950
(GHz)
0.05
0.00
0.05
T
SB(K)
CH
3
CONH
2
93.400 93.430
(GHz)
0.1
0.0
0.1
T
SB(K)
N-CH
3
NHCHO
88.320 88.340
(GHz)
0.00
0.05
0.10
T
SB(K)
C
2
H
5
CN
86.675 86.700
(GHz)
0.05
0.00
0.05
T
SB(K)
CH2DOH
CH
3
NCO
92.720 92.740
(GHz)
0.10
0.05
0.00
0.05
0.10
T
SB(K)
CH
3
COCH
3
90.225 90.250
(GHz)
0.04
0.02
0.00
0.02
0.04
0.06
T
SB(K)
CH3OCHO
CH
3
COOH
103.760 103.800
(GHz)
0.1
0.0
0.1
T
SB(K)
C2H5OH
NH
2
CH
2
CH
2
OH
92.960 92.980
(GHz)
0.1
0.0
0.1
T
SB(K)
aGg -(CH
2
OH)
2
96.675 96.700
(GHz)
0.0
0.1
T
SB(K)
CH3OCHO
CH3OCHO
gGg -(CH
2
OH)
2
90.125 90.150
(GHz)
0.00
0.05
0.10
0.15
T
SB(K)
CH3OCHO
CH3OCHO
CH
3
OCH
2
OH
97.600 97.625
(GHz)
0.05
0.00
0.05
T
SB(K)
HOCH
2
C(O)NH
2
Fig. S 28: Molecules no de ec ed owa ds he G31.41 shock posi ion. The black his og am and i s g ay shadow a e he obse ed
spec um. The LTE syn he ic spec a using he de i ed uppe limi s o Na e indica ed wi h g een cu es. To compu e he uppe
limi s o hei molecula abundances we ha e used he b igh es and less blended ansi ions o each molecule, which a e shown
he e. The g een dashed lines indica e he equency o he molecula ansi ions.
A icle numbe , page 25 o 30