| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 2001 |
EDG-MED-ba1ac7b9-9_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5c6[nH]ncn6 |
−6.87
± 0.10
|
| 2002 |
MAT-POS-78e1d523-2_2
|
|
CNC(=O)[C@]1(CCOc2c1cc(cc2)Cl)CC(=O)Nc3cncc4c3cccc4 |
−6.87
± 0.08
|
| 2003 |
MAK-UNK-c749d764-1_7
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@H]([C@H]3O)C4CC4 |
−6.9
± 0.2
|
| 2004 |
DAR-DIA-9e4459de-13_14
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.9
± 0.4
|
| 2005 |
ED_-GRI-5b13fbe2-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](c5n[n-]nn5)[NH3+] |
−6.9
± 0.2
|
| 2006 |
MAK-UNK-ffc90da7-8_1
|
|
CC(C)OCCCc1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3)Cl |
−6.9
± 0.4
|
| 2007 |
MIC-UNK-0a05c952-3_8
|
|
c1ccc2c(c1)cncc2N3[C@H](C[C@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@H]5CO5 |
−6.86
± 0.06
|
| 2008 |
JOH-UNI-21fd6073-4_2
|
|
c1ccc2c(c1)cncc2N(CC(=O)On3c(ccc3O)O)C(=O)[C@H]4COc5c4cc(cc5)Cl |
−6.9
± 0.2
|
| 2009 |
LON-WEI-9739a092-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)NCc4ccc(cc4)Br |
−6.86
± 0.09
|
| 2010 |
ALP-UNI-8e43a71e-2_11
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]6[C@@H]5CCC[N@H+]6CCO |
−6.86
± 0.09
|
| 2011 |
EDJ-MED-923a35c2-5_3
|
|
CO[C@@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−6.9
± 0.2
|
| 2012 |
ED_-GRI-5b13fbe2-38_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCC[N@@H+]5CCn6c(c(cn6)C[NH3+])C5 |
−6.9
± 0.5
|
| 2013 |
LON-WEI-4d77710c-6_1
|
|
CC(=O)c1cccc(c1)NC(=O)Nc2cn(c(=O)c3c2cccc3)C |
−6.9
± 0.3
|
| 2014 |
PET-UNK-824b5c6a-2_1
|
|
CCCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.9
± 0.1
|
| 2015 |
KAD-UNI-877d7bed-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4OCCOc5ccc(cc5)S(=O)(=O)N)Cl |
−6.9
± 0.1
|
| 2016 |
KAD-UNI-cb0f2bbc-18_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cnc(nc5)N6CCOCC6 |
−6.8
± 0.2
|
| 2017 |
MAK-UNK-c749d764-19_6
|
|
c1ccc2c(c1)cncc2N(C[NH3+])C(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F |
−6.8
± 0.3
|
| 2018 |
MAT-POS-4223bc15-35_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CN(Cc4c3cc(cc4)Cl)C(=O)CCO |
−6.8
± 0.2
|
| 2019 |
LON-WEI-4d77710c-16_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NCC[NH+]3CCOCC3 |
−6.8
± 0.1
|
| 2020 |
VLA-UNK-9a7dc93f-7_1
|
|
CO[C@@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.8
± 0.3
|
| 2021 |
EDJ-MED-d203f206-40_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O |
−6.8
± 0.5
|
| 2022 |
EDJ-MED-009f762b-1_2
|
|
Cn1ccc(n1)C[N@H+]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−6.8
± 0.2
|
| 2023 |
RAL-THA-05e671eb-24_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cccc4C#N |
−6.8
± 0.4
|
| 2024 |
MIC-UNK-d854bf4c-6_2
|
|
CS(=O)(=O)N1CCC2(CC1)CN(C(=O)[C@H]2c3ccc(c(c3)Cl)Cl)c4cncc5c4cccc5 |
−6.8
± 0.1
|
| 2025 |
KAD-UNI-877d7bed-1_2
|
|
c1ccc(cc1)[C@](COc2cc(cc3c2OCC[C@@H]3C(=O)Nc4cncc5c4cccc5)Cl)(C(=O)N)O |
−6.8
± 0.2
|
| 2026 |
LON-WEI-4d77710c-51_1
|
|
Cc1c(c(on1)C)CCNC(=O)Nc2cn(c(=O)c3c2cccc3)CC(C)C |
−6.84
± 0.09
|
| 2027 |
MAK-UNK-ffc90da7-2_5
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@@H]3CCC[C@@H]([C@H]3O)Cl |
−6.84
± 0.10
|
| 2028 |
ALP-UNI-dbb9503d-2_2
|
|
CO[C@]1(CCCN(C1=O)c2cncc3c2cccc3)c4cccc(c4)Cl |
−6.8
± 0.2
|
| 2029 |
ALP-POS-f13221e1-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)COc3cccc(c3)Cl |
−6.84
± 0.10
|
| 2030 |
EDJ-MED-1b5395f9-2_2
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−6.8
± 0.2
|
| 2031 |
LAU-MED-88a3970a-15_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4CCS(=O)(=O)N)Cl |
−6.8
± 0.1
|
| 2032 |
JOH-UNI-ee5ed7c8-10_1
|
|
CN(c1c2ccccc2cnc1CC(F)(F)F)C(=O)Cc3cccc(c3)Cl |
−6.8
± 0.4
|
| 2033 |
PET-UNK-c9c1e0d8-2_1
|
|
C#Cc1cccc(c1)CC(=O)Nc2cncc3c2cccc3 |
−6.84
± 0.10
|
| 2034 |
MAT-POS-4223bc15-5_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CCO |
−6.8
± 0.2
|
| 2035 |
RAL-THA-58fba2bc-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)[O-] |
−6.8
± 0.4
|
| 2036 |
PET-UNK-9bf1291a-5_2
|
|
CO[C@]1(C[N@](Cc2c1cc(cc2)Cl)CC#N)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 2037 |
EDJ-MED-93390d0c-1_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−6.8
± 0.3
|
| 2038 |
EDG-MED-ba1ac7b9-33_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCOC6 |
−6.83
± 0.07
|
| 2039 |
ALP-POS-9c80c481-1_2
|
|
CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.83
± 0.09
|
| 2040 |
MAK-UNK-c749d764-3_3
|
|
CC1(C[NH2+]C1)OCN(c2cncc3c2cccc3)C(=O)C[C@@H]4CCC[C@H]([C@@H]4O)C(F)F |
−6.8
± 0.3
|
| 2041 |
DAR-DIA-0f2f46c9-1_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC[N@](c4c3cc(cc4)Cl)S(=O)(=O)N |
−6.8
± 0.2
|
| 2042 |
MAR-TRE-a3327163-39_1
|
|
CCc1c2cc(c(cc2c(c(n1)C)C#N)OC)OC |
−6.8
± 0.3
|
| 2043 |
JOH-UNI-f51e3bbc-4_1
|
|
COc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−6.8
± 0.2
|
| 2044 |
MAT-POS-e9e99895-8_2
|
|
Cc1nc2n(n1)C[C@H](CC2)C(=O)N[C@@](C)(c3ccc(c(c3)Cl)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.83
± 0.10
|
| 2045 |
MAK-UNK-c749d764-29_8
|
|
c1ccc2c(c1)cncc2N(C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F)C(=O)ON |
−6.8
± 0.4
|
| 2046 |
MAT-POS-e9e99895-10_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)C[NH3+] |
−6.82
± 0.09
|
| 2047 |
MAK-UNK-c749d764-16_14
|
|
C[C@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@H]3O)C(F)F)O |
−6.8
± 0.4
|
| 2048 |
DAR-DIA-23aa0b97-20_1
|
|
c1ccc(cc1)NC(=O)Cc2cncc3c2cccc3 |
−6.82
± 0.09
|
| 2049 |
MIC-UNK-d36ab305-1_1
|
|
CC(=O)Nc1ccc(cc1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.1
|
| 2050 |
ALP-POS-347519b5-3_10
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@@H]3CC[C@H]([C@@H]2[C@@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−6.8
± 0.2
|
| 2051 |
ERI-UCB-b3e6b0c2-15_1
|
|
COCCOc1ccc2c(c1)cncc2NC(=O)[C@@H]3COc4c3cc(cc4)Cl |
−6.8
± 0.2
|
| 2052 |
MAT-POS-64942dd0-2_3
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)F |
−6.8
± 0.3
|
| 2053 |
DAR-DIA-f6ee7aeb-6_4
|
|
c1ccc2c(c1)cncc2N3C[C@H]([C@H](CC3=O)c4cccc(c4)Cl)c5c[nH]c(=O)[nH]c5=O |
−6.8
± 0.2
|
| 2054 |
ALP-POS-347519b5-3_54
|
|
CS(=O)(=O)[N@]1C[C@@H]2[C@H]3CC[C@@H]([C@H]2[C@H](C1)C(=O)Nc4cncc5c4cccc5)O3 |
−6.8
± 0.2
|
| 2055 |
MIC-UNK-bcd487e9-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC3CCCCC3)c4cccc(c4)Cl |
−6.8
± 0.3
|
| 2056 |
JOH-UNI-ee5ed7c8-13_1
|
|
CN(c1cncc2c1c(ccc2)CC(F)(F)F)C(=O)Cc3cccc(c3)Cl |
−6.8
± 0.4
|
| 2057 |
EDJ-MED-cf4b0d25-4_2
|
|
CC(=O)N[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.81
± 0.09
|
| 2058 |
EDJ-MED-841e0cf0-7_3
|
|
CNS(=O)(=O)[N@@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl |
−6.8
± 0.1
|
| 2059 |
MIC-UNK-5a93dd5f-6_1
|
|
CC(=O)N(C)C1CC[NH+](CC1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.5
|
| 2060 |
MAK-UNK-c749d764-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C4CC4 |
−6.8
± 0.3
|
| 2061 |
EDG-MED-4c68219f-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCCC(=O)[O-] |
−6.8
± 0.1
|
| 2062 |
EDJ-MED-37aac4bd-1_2
|
|
CO[C@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2063 |
ALP-POS-67d5babe-4_2
|
|
CS(=O)(=O)CC1CCN(CC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.3
|
| 2064 |
EDJ-MED-841e0cf0-2_2
|
|
CO[C@@]1(C[N@](Cc2c1cc(c(c2)F)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2065 |
EDG-MED-ba1ac7b9-19_3
|
|
C[C@@H]1c2nncn2CCN1C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.80
± 0.06
|
| 2066 |
MAT-POS-d8472c4f-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[NH2+]Cc4c3cc(cc4)Cl |
−6.8
± 0.4
|
| 2067 |
MAT-POS-4223bc15-8_7
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CCOC5 |
−6.80
± 0.10
|
| 2068 |
VLA-UNK-b9c208fe-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(c(c(c3)Cl)F)Cl |
−6.8
± 0.1
|
| 2069 |
MIC-UNK-37660950-3_2
|
|
CS(=O)(=O)[N@]1CCC[C@@H](C1)CNc2ccc(cc2CC(=O)Nc3cncc4c3cccc4)Cl |
−6.8
± 0.2
|
| 2070 |
MAK-UNK-c749d764-22_1
|
|
C[C@@H](C[NH2+]C[C@@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 2071 |
JAG-UCB-706446eb-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCCOC5 |
−6.8
± 0.4
|
| 2072 |
MAT-POS-8a69d52e-4_3
|
|
C[C@@H]1COc2ccc(cc2[C@H]1C(=O)Nc3cncc4c3cccc4)Cl |
−6.8
± 0.4
|
| 2073 |
MAT-POS-a3f7f96a-9_1
|
|
COc1ccc(cc1OCC(=O)N)C[NH2+]C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.2
|
| 2074 |
ALP-POS-fe871b40-15_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CC(=O)Nc4c3cc(c(c4)F)Cl |
−6.8
± 0.2
|
| 2075 |
EDJ-MED-4f704dc9-2_1
|
|
COC[C@@]1(CC(=O)Nc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2076 |
MAT-POS-a3f7f96a-6_4
|
|
C[C@]1(CCS(=O)(=O)C1)n2cc(cn2)C[NH2+]C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.8
± 0.2
|
| 2077 |
EDJ-MED-1b5395f9-5_1
|
|
CS(=O)(=O)[N@@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cc(cc4)F)Cl)Cl |
−6.8
± 0.2
|
| 2078 |
MIC-UNK-45817b9b-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CC(=O)Nc4c3cc(cc4)Cl |
−6.79
± 0.09
|
| 2079 |
LON-WEI-4d77710c-49_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCc3ccccn3 |
−6.8
± 0.4
|
| 2080 |
BEN-DND-11faade0-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CNS(=O)(=O)c4c3cccc4 |
−6.8
± 0.2
|
| 2081 |
EDJ-MED-40433386-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−6.8
± 0.4
|
| 2082 |
KAD-UNI-b13decd3-5_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)C[NH2+]Cc5cn(nn5)C[C@H]6CCCO6 |
−6.8
± 0.2
|
| 2083 |
JOH-UNI-6fede743-5_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2c3cc(ccc3cnc2C(F)F)F |
−6.8
± 0.5
|
| 2084 |
MAT-POS-fce787c2-1_1
|
|
CCOc1c(cccc1Cl)CC(=O)Nc2cncc3c2cccc3 |
−6.78
± 0.10
|
| 2085 |
DAR-DIA-9e4459de-15_5
|
|
c1cc2c(c(c1)NC(=O)CCC(=O)Nc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.8
± 0.2
|
| 2086 |
MAT-POS-e6dd326d-3_1
|
|
C[NH+](C)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.1
|
| 2087 |
EDJ-MED-9e38fd34-4_2
|
|
C[C@]1(c2cc(c(cc2NC1=O)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 2088 |
ALF-EVA-a24cc7ce-2_2
|
|
CN(c1cncc2c1cccc2)C(=O)[C@H]3COc4c3cc(cc4)Cl |
−6.8
± 0.2
|
| 2089 |
LON-WEI-9739a092-8_1
|
|
CN(Cc1cccc2c1cccc2)c3cc(cc(c3)Cl)CC(=O)Nc4cncc5c4cccc5 |
−6.78
± 0.09
|
| 2090 |
BEN-DND-d1eb1f41-15_2
|
|
c1ccc2c(c1)cncc2N3CC[C@H](C3=O)c4ccc(c(c4)Cl)F |
−6.8
± 0.2
|
| 2091 |
ALP-POS-5bb456a5-1_3
|
|
C[C@@H]1C[N@](CC[C@@H]1NC(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.78
± 0.10
|
| 2092 |
KAD-UNI-cb0f2bbc-9_1
|
|
COc1ccc(cc1OCC(=O)N)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.1
|
| 2093 |
MIC-UNK-02d7a284-3_2
|
|
CC(=O)NC[C@H]1CN(CC(=O)N1c2cccc(c2)Cl)C(=O)c3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2094 |
DAR-DIA-5ff57136-18_1
|
|
c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N=C=S |
−6.78
± 0.05
|
| 2095 |
DAR-DIA-0587064e-20_2
|
|
c1ccc(cc1)CCOc2cc(cc3c2OCC[C@H]3C(=O)Nc4cncc5c4cccc5)Cl |
−6.8
± 0.2
|
| 2096 |
EDJ-MED-60df06f3-1_1
|
|
Cn1cnnc1COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.1
|
| 2097 |
EDJ-MED-37aac4bd-5_1
|
|
CO[C@@]1(CCOc2c1cc(cn2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2098 |
MIC-UNK-ea4eb352-5_1
|
|
CO[C@@]1(CCS(=O)(=O)c2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 2099 |
MAR-UCB-6ab2ec87-3_1
|
|
CO[C@]1(COc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 2100 |
EDJ-MED-1b5395f9-1_1
|
|
COc1ccc2cncc(c2c1)NC(=O)[C@@H]3C[N@@](Cc4c3cc(c(c4)Cl)Cl)S(=O)(=O)C |
−6.8
± 0.3
|