| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 6701 |
MAK-UNK-ffc90da7-4_6
|
|
C[C@H](C[NH2+]C[C@@H]1CCCO1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.9
± 0.5
|
| 6702 |
RAL-THA-05e671eb-29_2
|
|
Cc1c(ccc2c1[C@H](CCO2)C(=O)Nc3cncc4c3cccc4)Cl |
−6.9
± 0.3
|
| 6703 |
DAR-DIA-076fb6ea-3_1
|
|
COC(=O)/C=C/C(=O)N(c1cncc2c1cccc2)C(=O)Cc3cccc(c3)Cl |
−6.9
± 0.5
|
| 6704 |
KAD-UNI-8a629cb0-10_1
|
|
CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.8
± 0.3
|
| 6705 |
MIC-UNK-5a93dd5f-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[NH+]4C[C@H]5CCC[C@H]5C4 |
−6.8
± 0.4
|
| 6706 |
EDJ-MED-4c7486ba-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn[nH]c5S(=O)(=O)N |
−6.8
± 0.3
|
| 6707 |
EN300-52380_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cn(nn5)CC(=O)N |
−6.8
± 0.2
|
| 6708 |
MAT-POS-bb423b95-9_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3Cl |
−6.8
± 0.3
|
| 6709 |
BEN-DND-c852c98b-4_2
|
|
c1cc2cncc(c2cc1O)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.8
± 0.2
|
| 6710 |
ALP-POS-5bb456a5-8_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@@H]6CCOC6 |
−6.8
± 0.5
|
| 6711 |
MAT-POS-b5746674-34_1
|
|
CCCC[N@@H+](CCNC(=O)Nc1cn(c(=O)c2c1cccc2)C)Cc3ccco3 |
−6.8
± 0.7
|
| 6712 |
MAK-UNK-ffc90da7-4_3
|
|
C[C@@H](C[NH2+]C[C@H]1CCCO1)[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.6
|
| 6713 |
MAK-UNK-c749d764-10_8
|
|
CSN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@H]([C@H]3O)C(F)F |
−6.8
± 0.3
|
| 6714 |
EDJ-MED-d08626de-3_1
|
|
CO[C@@]1(CCOc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.4
|
| 6715 |
DAR-DIA-0d514e7d-32_30
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3[C@@H]4C[C@H]4CO[C@H]5[C@H]3C=C(C=C5)Cl |
−6.8
± 0.3
|
| 6716 |
RAL-THA-2d450e86-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3ccc(cc3)F |
−6.8
± 0.2
|
| 6717 |
DAR-DIA-0d514e7d-35_1
|
|
C[C@H]1[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 6718 |
EN300-23318_2_2_1 |
|
C[C@H](C(=O)N[C@@H]1CCS(=O)(=O)C1)OC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.4
|
| 6719 |
EN300-180532_1_2_1 |
|
C[C@H]1CN(CCS(=O)(=O)C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.4
|
| 6720 |
MAT-POS-e9e99895-6_2
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)CN4CCN(C4=O)C5CC5 |
−6.8
± 0.4
|
| 6721 |
DAR-DIA-9e4459de-13_15
|
|
c1cc2c(c(c1)NCOCCOc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.8
± 0.6
|
| 6722 |
MAK-UNK-c749d764-29_1
|
|
c1ccc2c(c1)cncc2N(C(=O)C[C@@H]3CCC[C@@H]([C@@H]3O)C(F)F)C(=O)ON |
−6.8
± 0.5
|
| 6723 |
EN300-746187_1_2_3 |
|
C[C@H]1[NH2+][N@@H+]2C[C@H](CC[C@@H]2N1)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.8
± 0.5
|
| 6724 |
PET-UNK-c9c1e0d8-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@H](C3=O)c4cccc(c4)Cl |
−6.81
± 0.09
|
| 6725 |
EN300-307008_2_1_1 |
|
CN1[C@@H](CNC1=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.3
|
| 6726 |
MAT-POS-5d65ec79-1_1
|
|
CN(C)C(=O)C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 6727 |
MIC-UNK-9582b2c5-1_3
|
|
CC(=O)N1CC[C@@H]2[C@H](C1)CN(C(=O)[C@@H]2c3cccc(c3)Cl)c4cncc5c4cccc5 |
−6.8
± 0.3
|
| 6728 |
EDJ-MED-2f867453-1_2
|
|
C[C@]1(CNc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 6729 |
ALP-POS-2da19ca7-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CC(=O)N)C5CCOCC5 |
−6.8
± 0.3
|
| 6730 |
RAL-THA-2d450e86-23_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cccc(c3F)F |
−6.8
± 0.3
|
| 6731 |
EN300-393148_2_1_1 |
|
C[N@]1[C@@H](CCS1(=O)=O)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.3
|
| 6732 |
EN300-21009_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCO5 |
−6.8
± 0.2
|
| 6733 |
MAK-UNK-c749d764-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C4CC4 |
−6.8
± 0.3
|
| 6734 |
RAL-THA-8416115c-11_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCN(c4c3cc(cc4)Cl)Cc5cnc[nH]5 |
−6.8
± 0.3
|
| 6735 |
MIC-UNK-45817b9b-2_2
|
|
CN1c2ccc(cc2[C@H](CC1=O)C(=O)Nc3cncc4c3cccc4)Cl |
−6.8
± 0.3
|
| 6736 |
ALF-EVA-ced740bd-3_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3COc4c3cc(cc4)F |
−6.8
± 0.2
|
| 6737 |
RAL-THA-2d450e86-3_1
|
|
Cc1ccc(cc1)CC(=O)Nc2cncc3c2cccc3 |
−6.8
± 0.3
|
| 6738 |
EDG-MED-ba1ac7b9-20_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CC(F)F |
−6.8
± 0.4
|
| 6739 |
MAK-UNK-c749d764-15_5
|
|
C[C@@H](N(c1cncc2c1cccc2)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F)OCC4CCCCC4 |
−6.8
± 0.6
|
| 6740 |
MAT-POS-1f3f1a6f-2_2
|
|
C[NH+](C)[C@H](c1ccc(c(c1)Cl)Cl)C(=O)Nc2cncc3c2cccc3 |
−6.8
± 0.4
|
| 6741 |
EDJ-MED-50011917-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)C[C@H]4CC(=O)N4 |
−6.78
± 0.09
|
| 6742 |
EDG-MED-ba1ac7b9-4_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)[N@H+]6CC[C@@H](C6)O |
−6.8
± 0.6
|
| 6743 |
EN300-29617_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5C(=O)N6CCCCC[C@@H]6[NH2+]5 |
−6.8
± 0.4
|
| 6744 |
ALP-UNI-3496895b-15_8
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@H]6[C@H]5C[C@H](C6)C(=O)N |
−6.8
± 0.3
|
| 6745 |
EDG-MED-0e5afe9d-3_1
|
|
CO[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 6746 |
EN300-1448674_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCn6c(ncn6)C5 |
−6.8
± 0.3
|
| 6747 |
EDG-MED-5d232de5-5_2
|
|
CN1CC[C@@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.3
|
| 6748 |
NAU-LAT-b7d8c353-8_1
|
|
c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)C[NH3+] |
−6.8
± 0.1
|
| 6749 |
EN300-341337_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]56CCO[C@@H]5CCOC6 |
−6.8
± 0.2
|
| 6750 |
EN300-1709315_2_2_1 |
|
C[C@]1(CCCNS1(=O)=O)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.8
± 0.3
|
| 6751 |
RAL-THA-05e671eb-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)C(F)(F)F |
−6.8
± 0.3
|
| 6752 |
ALP-POS-2da19ca7-7_3
|
|
C[C@@H]1C[N@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.8
± 0.4
|
| 6753 |
DAR-DIA-6a508060-10_1
|
|
C[C@@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 6754 |
MAT-POS-8a69d52e-1_2
|
|
C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.8
± 0.2
|
| 6755 |
MAK-UNK-ffc90da7-7_4
|
|
CC(C)OC[C@H]([C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3)[NH2+]C |
−6.8
± 0.6
|
| 6756 |
LON-WEI-5e7d1b3e-18_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)Nc3ccc(cc3OC)OC |
−6.8
± 0.6
|
| 6757 |
EN300-172020_2_1_1 |
|
Cn1cc(cn1)C[C@@H](C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−6.8
± 0.2
|
| 6758 |
KAD-UNI-80f122c8-5_1
|
|
C[N@](C1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−6.7
± 0.4
|
| 6759 |
EDG-MED-90036822-102_1
|
|
CC[NH+](CC)C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F |
−6.7
± 0.7
|
| 6760 |
DAR-DIA-9e4459de-11_14
|
|
c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−6.7
± 0.7
|
| 6761 |
EN300-74856_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCCS(=O)(=O)C5 |
−6.7
± 0.3
|
| 6762 |
EN300-7456641_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6c(nn5)CCOC6 |
−6.7
± 0.3
|
| 6763 |
EN300-215852_2_1_1 |
|
CCn1nc(c(n1)C(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C |
−6.7
± 0.3
|
| 6764 |
MIC-UNK-bcd487e9-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(C[C@H]3CCCS3(=O)=O)c4cccc(c4)Cl |
−6.7
± 0.4
|
| 6765 |
LON-WEI-4d77710c-27_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)NC3CCCCCC3 |
−6.7
± 0.4
|
| 6766 |
EDG-MED-ba1ac7b9-21_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@H]5Cn6ccnc6 |
−6.7
± 0.3
|
| 6767 |
RAL-THA-05e671eb-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3c(ccc4)Cl |
−6.7
± 0.1
|
| 6768 |
RAL-THA-1d44ff04-5_1
|
|
CNC(=O)c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2cccc3 |
−6.7
± 0.3
|
| 6769 |
MAT-POS-bbbbc21a-2_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3COc4c3cc(cc4)Cl |
−6.7
± 0.2
|
| 6770 |
EDJ-MED-4c7486ba-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5cnc[nH]5 |
−6.7
± 0.3
|
| 6771 |
MAK-UNK-ffc90da7-9_3
|
|
C[C@@H]1[C@H](CCO1)SC[C@@H](C)c2ccc3c(c2)cncc3NC(=O)Cc4cccc(c4)Cl |
−6.7
± 0.3
|
| 6772 |
MAK-UNK-8be7dca9-10_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[C@H](Oc4c3cc(cc4)Cl)C(=O)[O-] |
−6.72
± 0.09
|
| 6773 |
EDG-MED-ba1ac7b9-30_1
|
|
C[NH+]1CCC(CC1)N(CCO)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.6
|
| 6774 |
MIC-UNK-cdc2493e-18_2
|
|
CC(=O)N1CC[C@H](C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.3
|
| 6775 |
EN300-68735_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H](C5)[NH+]6CCOCC6 |
−6.7
± 0.4
|
| 6776 |
ALP-POS-869ac754-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(c(c4)Cl)Cl |
−6.7
± 0.3
|
| 6777 |
EN300-190026_1_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H](CO)[C@H]5CCCO5 |
−6.7
± 0.4
|
| 6778 |
EN300-14405_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6n(c5=O)CCS6 |
−6.7
± 0.3
|
| 6779 |
LAU-MED-88a3970a-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4CCCO)Cl |
−6.7
± 0.3
|
| 6780 |
DAR-DIA-9e4459de-15_13
|
|
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 |
−6.7
± 0.6
|
| 6781 |
EDJ-MED-ee07cf00-3_2
|
|
Cn1c2c(cn1)c(=O)n(cn2)CC(=O)N[C@H](c3cccc(c3)Cl)C(=O)Nc4cncc5c4cccc5 |
−6.7
± 0.6
|
| 6782 |
EN300-7355737_4_1_1 |
|
CN1C=C([C@@H](N1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)N |
−6.7
± 0.4
|
| 6783 |
MAK-UNK-8be7dca9-6_1
|
|
c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)C[NH3+] |
−6.7
± 0.1
|
| 6784 |
EN300-57990_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5n[n-]nn5 |
−6.7
± 0.3
|
| 6785 |
LON-WEI-4d77710c-52_1
|
|
Cn1cc(c2ccccc2c1=O)NC(=O)NCCc3ccc(cc3)Cl |
−6.7
± 0.4
|
| 6786 |
LON-WEI-5e7d1b3e-54_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4 |
−6.7
± 0.5
|
| 6787 |
DAR-DIA-0cde14eb-55_1
|
|
C[C@@H](c1cccc(c1)C2(CC2)C)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.3
|
| 6788 |
EN300-246808_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H]5CCCS5(=O)=O |
−6.7
± 0.6
|
| 6789 |
MIC-UNK-cdc2493e-12_3
|
|
C[NH+](C)[C@@H]1CC[C@H](C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.5
|
| 6790 |
MAT-POS-f7918075-1_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−6.7
± 0.3
|
| 6791 |
EN300-781107_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(CO)O |
−6.7
± 0.4
|
| 6792 |
MIC-UNK-cdc2493e-21_2
|
|
CC(=O)N(C)[C@H]1CC[C@@H](C1)N(c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.4
|
| 6793 |
EN300-83527_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc6ncccn6n5 |
−6.7
± 0.2
|
| 6794 |
RAL-THA-05e671eb-33_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3c(ccc4)F |
−6.7
± 0.2
|
| 6795 |
EN300-345754_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCOC[C@H]5CCO |
−6.7
± 0.3
|
| 6796 |
EDG-MED-90036822-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)N(C5)CCC[NH3+] |
−6.7
± 0.4
|
| 6797 |
NAU-LAT-a5c7d7cb-2_2
|
|
CC(=O)N1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−6.7
± 0.4
|
| 6798 |
ALP-POS-6747fa38-1_1
|
|
CC(=O)N1CC[NH+](CC1)CC(=O)Nc2cncc3c2cccc3 |
−6.7
± 0.5
|
| 6799 |
ALP-UNI-0676e700-22_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cnc6cc[nH]n6c5=O |
−6.7
± 0.3
|
| 6800 |
KAD-UNI-80f122c8-2_1
|
|
CC(=O)N1C[C@H]2C[C@@H]1CN2C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−6.7
± 0.4
|