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Fix integration test deco/deco_sdf
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AliaksandrDziarkach committed Aug 2, 2023
1 parent 553b2c8 commit 7463780
Showing 1 changed file with 2 additions and 2 deletions.
4 changes: 2 additions & 2 deletions api/tests/integration/ref/deco/deco_sdf.py.out
Original file line number Diff line number Diff line change
Expand Up @@ -29762,7 +29762,7 @@ $END MOL

mapped scaffold: OCC1OC(O)C(O)C(O)C1O
RGROUP #1
fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$,SgD:5:MRV_IMPLICIT_H:IMPL_H1::: :|
fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$|
C1(COP(=O)(O)O)C(O)C(C(O)C(OP(=O)(O)O)O1)O.C1CCCCC1N.C1CCCCC1N.C1CCCCC1N.C1CCCCC1N.O |ha:0,1,2,7,8,9,10,11,12,13,18,19,hb:0,1,6,7,8,9,10,11,12,17,18,19|
decomposed molecule: OC1C(O)C(O%91)OC(CO%92)C1O.[*:3]%92.[*:1]%91 |$;;;;;;;;;;;;_R3;_R1$,RG:_R1={OP%91(O)=O.[*:1]%91 |$;;;;_AP1$|},_R3={OP%91(O)=O.[*:1]%91 |$;;;;_AP1$|}|
decomposed molecule: $MDL REV 1 0100000000
Expand Down Expand Up @@ -48077,7 +48077,7 @@ $END MOL

mapped scaffold: OCC1OC(O)C(O)C(O)C1O
RGROUP #1
fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$,SgD:5:MRV_IMPLICIT_H:IMPL_H1::: :|
fragment #0: Clc1c(Br)ccc2[nH]cc%91c21.[*:1]%91 |$;;;;;;;;;;;_AP1$|
RGROUP #2
fragment #0: OC1C(O)C(OC(CO)C1O)OC1C(CO)OC%91C(O)C1O.[*:1]%91 |$;;;;;;;;;;;;;;;;;;;;;;_AP1$|
C1(CO)(OC(C(O)C1OC1C(O)C(C(O)C(CO)O1)O)CO)OC1C(O)C(C(O)C(CO)O1)O.O |ha:22,23,24,25,26,27,28,29,30,31,32,33,hb:24,25,26,27,28,29,30,31,32,33,34,35|
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