| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 3601 |
MIC-UNK-5a93dd5f-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)[NH+]4CCC(CC4)[NH+]5CCCCC5 |
−5.4
± 0.3
|
| 3602 |
ALP-UNI-8e43a71e-13_2
|
|
Cn1c(=O)cc2c(n1)CCN(C2)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.4
± 0.2
|
| 3603 |
MAK-UNK-c749d764-21_2
|
|
CCCCN(c1cncc2c1cccc2)C(=O)C[C@H]3CCC[C@@H]([C@@H]3O)C(F)F |
−5.4
± 0.2
|
| 3604 |
PET-UNK-c65ea24c-7_1
|
|
CN(C)S(=O)(=O)[N@@]1Cc2ccc(cc2[C@@](C1)(C(=O)Nc3cncc4c3ccc(c4)C#N)OC)Cl |
−5.4
± 0.2
|
| 3605 |
MAT-POS-24589f88-7_1
|
|
CNC(=O)COc1ccc(cc1OC)C[NH2+]C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.41
± 0.10
|
| 3606 |
EDG-MED-90036822-46_1
|
|
COCCNCC(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F |
−5.4
± 0.5
|
| 3607 |
ROB-UNI-30edb307-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(CCc3cccc(c3)F)c4cc(cc5c4CCOC5)F |
−5.4
± 0.3
|
| 3608 |
ALF-EVA-650655fc-7_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(CC[C@H]3CCCOC3)c4cc(cc(c4)Cl)O[C@@H]5CC(=O)N5 |
−5.4
± 0.2
|
| 3609 |
EDG-MED-ba1ac7b9-10_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5c6ccn[nH]6 |
−5.41
± 0.10
|
| 3610 |
ERI-UCB-8d4e5055-3_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl |
−5.4
± 0.3
|
| 3611 |
KAD-UNI-8a629cb0-29_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CC6(CC6)S(=O)(=O)N5 |
−5.4
± 0.5
|
| 3612 |
BRU-THA-55eab31a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCNc5c4cc(cc5)Cl)C=N3 |
−5.4
± 0.3
|
| 3613 |
MIC-UNK-ea4eb352-7_1
|
|
CO[C@@]1(CCNc2c1cc(c(c2)Cl)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.3
|
| 3614 |
JOH-UNI-ee5ed7c8-7_1
|
|
CN(c1cncc2c1cccc2)C(=O)[C@@H](CC#N)c3cccc(c3)Cl |
−5.4
± 0.5
|
| 3615 |
RAL-THA-05e671eb-9_2
|
|
Cc1cc2c(cc1Cl)[C@H](CCO2)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.6
|
| 3616 |
ALP-UNI-0676e700-12_1
|
|
Cc1ccc(=O)n(n1)CC(=O)NC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.4
|
| 3617 |
RAL-THA-8416115c-3_4
|
|
CCN1CC[C@H](c2c1ccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.4
|
| 3618 |
ALF-EVA-0b412456-4_2
|
|
CCc1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC(=O)N4 |
−5.4
± 0.2
|
| 3619 |
MAT-POS-4223bc15-16_9
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@@]5CCC[C@H]5CO |
−5.4
± 0.2
|
| 3620 |
ALF-EVA-07677224-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)c5cccnn5 |
−5.4
± 0.2
|
| 3621 |
EDG-MED-ba1ac7b9-19_1
|
|
C[C@@H]1c2nncn2CCN1C(=O)C[C@@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.39
± 0.07
|
| 3622 |
EDG-MED-ba1ac7b9-10_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC[C@H]5c6ccn[nH]6 |
−5.39
± 0.09
|
| 3623 |
EDG-MED-90036822-103_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC6(C5)CC(C6)C[NH3+] |
−5.4
± 0.4
|
| 3624 |
ALF-EVA-5b152d2f-3_1
|
|
c1cc2cncc(c2cc1Cl)NC(=O)[C@@H]3CCCOc4c3cc(cc4)Cl |
−5.4
± 0.3
|
| 3625 |
VLA-MRT-8c78ee15-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(C[NH2+]Cc5c4cc(cc5)Cl)NC3=O |
−5.4
± 0.4
|
| 3626 |
JOH-UNI-6e27fddc-8_1
|
|
CO[C@]1(CCOc2c1cc(cc2)Cl)/C(=N\CC(F)(F)F)/Cc3cncc4c3cccc4 |
−5.4
± 0.2
|
| 3627 |
NIR-THE-590dedc7-1_2
|
|
CC(=O)N1CC[NH+](CC1)[C@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.4
|
| 3628 |
PET-UNK-bcc8fd08-5_2
|
|
[2H]C([2H])([2H])O[C@]1(C[N@](Cc2c1cc(cc2)Cl)S(=O)(=O)C)C(=O)Nc3cncc4c3cc(cc4)F |
−5.4
± 0.2
|
| 3629 |
ALP-UNI-8e43a71e-9_1
|
|
C[N@@](C1CCN(CC1)C(=O)C[C@@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C |
−5.4
± 0.2
|
| 3630 |
PET-UNK-9b23ef84-14_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cc(cc4)Cl)c5ncon5 |
−5.4
± 0.3
|
| 3631 |
EDG-MED-90036822-95_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5CC[NH2+]CC5)F |
−5.4
± 0.5
|
| 3632 |
MIC-UNK-0a05c952-4_4
|
|
c1ccc2c(c1)cncc2N3[C@H](CC[C@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@@H]5CO5 |
−5.4
± 0.2
|
| 3633 |
MAT-POS-90505e2b-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)[C@]4(CCOc5c4cc(cc5)Cl)OC3=O |
−5.38
± 0.10
|
| 3634 |
MAT-POS-24589f88-5_1
|
|
Cc1nc(cs1)C[N@@H+]2Cc3ccc(cc3[C@@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−5.38
± 0.10
|
| 3635 |
RAL-THA-e002e396-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CS(=O)(=O)N |
−5.4
± 0.2
|
| 3636 |
ALP-UNI-8d415491-6_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3CCNc4c3cc(c(c4)Cl)Cl |
−5.38
± 0.09
|
| 3637 |
MAT-POS-66a736cf-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−5.4
± 0.3
|
| 3638 |
ROB-CAM-4c532489-1_4
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@H](C1)C(=O)Nc3cncc4c3c(ccc4)C[NH3+])Cl |
−5.4
± 0.2
|
| 3639 |
DAR-DIA-0d514e7d-5_1
|
|
C[C@H]1COc2c(cc(cc2NC3CCCC3)Cl)[C@@H]1C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.2
|
| 3640 |
EDG-MED-ba1ac7b9-31_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[NH+](CC5)[C@H]6CCCOC6 |
−5.37
± 0.07
|
| 3641 |
VLA-UNK-4b5c0188-1_2
|
|
c1ccc2c(c1)cncc2N(C[C@H]3CO3)C(=O)[C@@H]4CCOc5c4cc(cc5)Cl |
−5.4
± 0.2
|
| 3642 |
BEN-DND-a02b439d-10_1
|
|
CS(=O)(=O)c1ccc2cncc(c2c1)NC(=O)[C@@H]3C[NH2+]Cc4c3cc(c(c4)Cl)Cl |
−5.4
± 0.2
|
| 3643 |
EDJ-MED-cf4b0d25-5_2
|
|
CN(C)C(=O)COCC(=O)N[C@H](c1cccc(c1)Cl)C(=O)Nc2cncc3c2cccc3 |
−5.37
± 0.10
|
| 3644 |
ALP-UNI-8e43a71e-15_29
|
|
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 |
−5.4
± 0.2
|
| 3645 |
DAR-DIA-076fb6ea-9_2
|
|
c1ccc2c(c1)cncc2N(C#C[C@H]3CCC[NH2+]3)C(=O)Cc4cccc(c4)Cl |
−5.4
± 0.3
|
| 3646 |
MAT-POS-de59a476-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)O |
−5.4
± 0.3
|
| 3647 |
MIC-UNK-460e637d-3_3
|
|
C[N@@H+]1CCN(C[C@H]1COc2cccnc2)C(=O)Cc3cncc4c3cccc4 |
−5.4
± 0.4
|
| 3648 |
MAT-POS-e9e99895-13_4
|
|
C[C@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@H]4CC[N@@H+](C4)C |
−5.36
± 0.10
|
| 3649 |
ALP-POS-67d5babe-3_3
|
|
CS(=O)(=O)C[C@@H]1CCCN(C1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.4
± 0.3
|
| 3650 |
VLA-UCB-1dbca3b4-16_2
|
|
c1ccc2c(c1)cncc2NC(=O)C3=C(COc4c3cc(cc4)Cl)O |
−5.4
± 0.4
|
| 3651 |
EDJ-MED-6864a934-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6c5n[nH]n6 |
−5.4
± 0.4
|
| 3652 |
MIC-UNK-0a05c952-4_5
|
|
c1ccc2c(c1)cncc2N3[C@@H](CC[C@@H](C3=O)c4ccc(c(c4)Cl)Cl)[C@H]5CO5 |
−5.4
± 0.2
|
| 3653 |
MAT-POS-4223bc15-25_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@H+](Cc4c3cc(cc4)Cl)CC(=O)N |
−5.36
± 0.09
|
| 3654 |
MAT-POS-4223bc15-13_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[C@H]5CC[C@@H]5O |
−5.4
± 0.3
|
| 3655 |
MAK-UNK-ffc90da7-2_6
|
|
c1ccc2c(c1)cncc2NC(=O)C[C@H]3CCC[C@@H]([C@H]3O)Cl |
−5.4
± 0.3
|
| 3656 |
EDJ-MED-ee07cf00-12_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)COc4ccc(cc4)C(=O)N |
−5.35
± 0.09
|
| 3657 |
MAT-POS-64942dd0-3_2
|
|
CS(=O)(=O)[N@]1Cc2cc(c(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl)F |
−5.4
± 0.3
|
| 3658 |
PET-UNK-1320d94d-2_1
|
|
CN(C)C(=O)[C@H]1CC[C@H](O1)C(=O)N[C@@H](c2cccc(c2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.4
± 0.4
|
| 3659 |
EDJ-MED-139368ae-4_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@](Cc4c3cccc4)S(=O)(=O)N5CC(C5)C#N |
−5.4
± 0.3
|
| 3660 |
VLA-UCB-34f3ed0c-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)N(c3cccc(c3)Cl)C(=O)CN4CC[NH2+]CC4 |
−5.3
± 0.6
|
| 3661 |
RUB-POS-1325a9ea-10_2
|
|
COc1cc2cncc(c2cc1OC)NC(=O)[C@H]3CCOc4c3cc(cc4)Cl |
−5.3
± 0.1
|
| 3662 |
MAT-POS-e6dd326d-10_2
|
|
COC(=O)C[NH2+]C[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−5.3
± 0.2
|
| 3663 |
JOH-UNI-3fc3434e-5_1
|
|
CN(c1cncc2c1c(ccc2)C(=O)C#C)C(=O)Cc3cccc(c3)Cl |
−5.3
± 0.4
|
| 3664 |
BEN-DND-11faade0-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CNS(=O)(=O)c4c3cccc4 |
−5.3
± 0.5
|
| 3665 |
EDJ-MED-93390d0c-2_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCS(=O)(=O)c4c3cc(cc4)Cl |
−5.3
± 0.3
|
| 3666 |
MIC-UNK-7574fcc6-1_1
|
|
c1cc(cc(c1)Cl)CC(=O)Nc2cncc3c2c(cc(c3)F)F |
−5.3
± 0.1
|
| 3667 |
PET-UNK-1320d94d-5_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@@H](O4)C(=O)N5CCC5 |
−5.3
± 0.2
|
| 3668 |
EDJ-MED-c82a5324-1_4
|
|
CNC(=O)[C@H](CO)[N@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.3
± 0.2
|
| 3669 |
EDJ-MED-6d9ff7d0-8_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)[NH2+]C[C@H]5CCC(=O)N5 |
−5.3
± 0.2
|
| 3670 |
MAT-POS-61f37a1a-13_4
|
|
Cc1[nH]c(c[nH+]1)C[N@H+]2Cc3ccc(cc3[C@H](C2)C(=O)Nc4cncc5c4cc(cc5)F)Cl |
−5.34
± 0.09
|
| 3671 |
MAT-POS-5f1400cf-2_4
|
|
CN(CCO)c1ccc(cn1)C[NH2+]C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.33
± 0.09
|
| 3672 |
MAT-POS-4223bc15-29_2
|
|
CNC(=O)NS(=O)(=O)[N@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.3
± 0.2
|
| 3673 |
RAL-THA-05e671eb-6_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CCOc4c3cc(cc4)C(F)(F)F |
−5.3
± 0.4
|
| 3674 |
MAT-POS-4223bc15-14_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3C[N@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5C[NH2+]C5 |
−5.3
± 0.2
|
| 3675 |
MAT-POS-4223bc15-16_5
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)[N@]5CCC[C@@H]5CO |
−5.3
± 0.5
|
| 3676 |
KAD-UNI-8a629cb0-36_1
|
|
CS(=O)(=O)N1CCC(CC1)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−5.3
± 0.6
|
| 3677 |
EDG-MED-90036822-32_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(cn[nH]5)F |
−5.3
± 0.7
|
| 3678 |
MIC-UNK-bcd487e9-4_2
|
|
c1ccc2c(c1)cncc2NC(=O)N(C[C@H]3CCCO3)c4cccc(c4)Cl |
−5.3
± 0.4
|
| 3679 |
ALP-UNI-dbbfd3db-7_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C(F)(F)F |
−5.3
± 0.2
|
| 3680 |
EDG-MED-90036822-26_1
|
|
Cn1cncc1[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F |
−5.3
± 0.4
|
| 3681 |
MAT-POS-4223bc15-28_1
|
|
COCC[N@@H+]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3cccc4)Cl |
−5.32
± 0.10
|
| 3682 |
EDG-MED-90036822-58_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H](CF)[NH3+] |
−5.3
± 0.4
|
| 3683 |
EDJ-MED-841e0cf0-5_1
|
|
c1cc2cncc(c2cc1F)NC(=O)[C@@H]3C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)C5CC5 |
−5.3
± 0.3
|
| 3684 |
EDJ-MED-139368ae-3_2
|
|
COC1CN(C1)S(=O)(=O)[N@]2Cc3ccccc3[C@@H](C2)C(=O)Nc4cncc5c4cccc5 |
−5.3
± 0.2
|
| 3685 |
MAT-POS-b5746674-107_1
|
|
CC(C)Cn1cc(c2ccccc2c1=O)NC(=O)N3CCC(CC3)Cc4ccccc4 |
−5.3
± 0.1
|
| 3686 |
DAR-DIA-076fb6ea-12_1
|
|
c1ccc2c(c1)cncc2N(C(=O)Cc3cccc(c3)Cl)C(=O)/C=C/C[NH+]4CCCCC4 |
−5.3
± 0.4
|
| 3687 |
PET-UNK-9b23ef84-6_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)c5nnco5 |
−5.3
± 0.2
|
| 3688 |
CHO-MSK-5891c1ff-11_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCCC#N |
−5.3
± 0.4
|
| 3689 |
DAR-DIA-0f2f46c9-10_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@H]3CC[N@@](c4c3cc(cc4)Cl)S(=O)(=O)[O-] |
−5.3
± 0.4
|
| 3690 |
EDG-MED-90036822-54_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCn5ccnc5 |
−5.3
± 0.4
|
| 3691 |
RAL-THA-05e671eb-2_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(c(c4)Cl)Cl |
−5.3
± 0.6
|
| 3692 |
EDG-MED-90036822-98_3
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC[N@]5CC(F)F |
−5.3
± 0.5
|
| 3693 |
MAK-UNK-c749d764-5_3
|
|
c1ccc2c(c1)cncc2N(CO)C(=O)C[C@@H]3CCC[C@H]([C@@H]3O)C(F)F |
−5.3
± 0.2
|
| 3694 |
ALP-POS-67d5babe-2_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCS(=O)(=O)C5 |
−5.3
± 0.8
|
| 3695 |
EDJ-MED-7587a9ee-3_2
|
|
CS(=O)(=O)[N@]1Cc2ccc(cc2[C@@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−5.3
± 0.2
|
| 3696 |
PET-UNK-03fd2068-4_1
|
|
CS(=O)(=O)[N@@]1Cc2ccc(cc2[C@@H](C1)C(=O)Nc3cncc4c3ccc(c4)F)Cl |
−5.3
± 0.3
|
| 3697 |
DAR-DIA-9e4459de-11_8
|
|
c1cc2c(c(c1)NCOCCOCCOc3ccc4c(c3)cncc4NC(=O)[C@@H]5CCOc6c5cc(cc6)Cl)c(n(c2O)[C@H]7CCC(=O)NC7=O)O |
−5.3
± 0.5
|
| 3698 |
MIC-UNK-89b52b17-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]34COC[C@H]3COc5c4cc(cc5)Cl |
−5.3
± 0.2
|
| 3699 |
PET-UNK-83d689b6-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5nnco5 |
−5.3
± 0.2
|
| 3700 |
KAD-UNI-8a629cb0-31_1
|
|
C[C@@]12CN(C[C@]1(C(=O)NC2=O)C)C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−5.3
± 0.5
|