| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 501 |
LUO-POS-e1dab717-19_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)O |
−8.0
± 0.2
|
| 502 |
LUO-POS-e1dab717-19_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)O |
−8.0
± 0.2
|
| 503 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.0
± 0.2
|
| 504 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.0
± 0.2
|
| 505 |
MAT-POS-e75f6e44-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)O |
−8.0
± 0.2
|
| 506 |
PET-UNK-626a1084-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CC#N |
−8.0
± 0.3
|
| 507 |
ALP-POS-c3a90b22-6_2
|
|
CNC(=O)CC[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl |
−8.0
± 0.3
|
| 508 |
ALP-POS-c3a90b22-6_2
|
|
CNC(=O)CC[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4c[nH+]cc5c4cccc5)Cl |
−8.0
± 0.3
|
| 509 |
MAT-POS-69786b79-1_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−8.0
± 0.3
|
| 510 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 511 |
EDJ-MED-94fddcec-4_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−8.0
± 0.4
|
| 512 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.6
|
| 513 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.6
|
| 514 |
ALP-POS-ecbed2ba-7_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.9
± 0.6
|
| 515 |
PET-UNK-77d5678a-4_2
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−7.9
± 0.4
|
| 516 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.5
|
| 517 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.9
± 0.5
|
| 518 |
MAT-POS-e75f6e44-8_1
|
|
C[C@@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.9
± 0.5
|
| 519 |
EDJ-MED-40e596c8-5_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−7.9
± 0.4
|
| 520 |
EDJ-MED-40e596c8-5_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)CS(=O)(=O)NCC6CC6 |
−7.9
± 0.4
|
| 521 |
VLA-UNK-e334495f-2_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
| 522 |
VLA-UNK-e334495f-2_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(c(c5)F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
| 523 |
PET-UNK-77d5678a-3_1
|
|
COC(=O)CN1C[C@]2(CC(=O)N(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl |
−7.8
± 0.3
|
| 524 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCCN(C)C)c5cc(ccc5C1=O)Cl |
−7.8
± 0.4
|
| 525 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3cncc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−7.8
± 0.4
|
| 526 |
MAT-POS-38eb6498-4_1
|
|
CNC(=O)CN1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cc(cc4)OCC[NH+](C)C)c5cc(ccc5C1=O)Cl |
−7.8
± 0.4
|
| 527 |
MAT-POS-e75f6e44-13_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−7.8
± 0.4
|
| 528 |
MAT-POS-e75f6e44-13_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−7.8
± 0.4
|
| 529 |
MAT-POS-e75f6e44-13_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CCC6 |
−7.8
± 0.4
|
| 530 |
EDJ-MED-6b23330e-3_2
|
|
CC(C)(CNC(=O)C[N@H+]1Cc2ccc(cc2[C@]3(C1)CCN(C3=O)c4cncc5c4cccc5)Cl)C#N |
−7.8
± 0.5
|
| 531 |
EDJ-MED-d4864bdc-4_1
|
|
CN(C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.5
|
| 532 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.5
|
| 533 |
EDJ-MED-d4864bdc-4_1
|
|
C[NH+](C)CCOc1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.5
|
| 534 |
PET-UNK-6af7266d-2_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)CN(C(=O)c5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−7.8
± 0.3
|
| 535 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−7.8
± 0.3
|
| 536 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−7.8
± 0.3
|
| 537 |
MAT-POS-e75f6e44-17_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CCC6)O |
−7.8
± 0.3
|
| 538 |
VLA-UNK-61877630-7_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
| 539 |
VLA-UNK-61877630-7_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5F)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.8
|
| 540 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.9
|
| 541 |
MAT-POS-853c0ffa-13_1
|
|
c1cc2c[nH+]cc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.8
± 0.9
|
| 542 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−7.8
± 0.6
|
| 543 |
PET-UNK-77d5678a-1_1
|
|
c1ccc2c(c1)cncc2N3C(=O)C[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)Cc6n[nH+]cs6 |
−7.8
± 0.6
|
| 544 |
EDJ-MED-94fddcec-5_1
|
|
CS(=O)(=O)c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.8
± 0.4
|
| 545 |
EDJ-MED-4138fde9-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CC(C6)O |
−7.7
± 0.8
|
| 546 |
EDJ-MED-4138fde9-9_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6CC(C6)O |
−7.7
± 0.8
|
| 547 |
MAT-POS-e75f6e44-12_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)CO |
−7.7
± 0.4
|
| 548 |
VLA-UNK-f2612802-3_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−7.7
± 0.4
|
| 549 |
VLA-UNK-f2612802-3_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(cc(c5S1(=O)=O)F)Cl |
−7.7
± 0.4
|
| 550 |
MAT-POS-e75f6e44-21_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)(F)F |
−7.7
± 0.5
|
| 551 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.8
|
| 552 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.7
± 0.8
|
| 553 |
MAT-POS-e75f6e44-8_2
|
|
C[C@H](C1CC1)NC(=O)C[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.7
± 0.8
|
| 554 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.7
± 0.5
|
| 555 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.7
± 0.5
|
| 556 |
MAT-POS-e75f6e44-20_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CC(=O)NCC6CS(=O)(=O)C6 |
−7.7
± 0.5
|
| 557 |
ALP-POS-ecbed2ba-7_2
|
|
CNC(=O)C1(CC1)[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.6
± 0.3
|
| 558 |
MAT-POS-e75f6e44-18_2
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6CC(C6)F |
−7.6
± 0.5
|
| 559 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.5
± 0.7
|
| 560 |
PET-UNK-94036022-10_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)Cl |
−7.5
± 0.7
|
| 561 |
MAT-POS-e75f6e44-8_3
|
|
C[C@@H](C1CC1)NC(=O)C[N@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.5
|
| 562 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−7.5
± 0.4
|
| 563 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−7.5
± 0.4
|
| 564 |
MAT-POS-e75f6e44-11_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)CC(=O)NCC6(CC6)C#N |
−7.5
± 0.4
|
| 565 |
PET-UNK-c6bcc80b-4_1
|
|
CS(=O)(=O)Nc1cc2cncc(c2cc1F)N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.5
± 0.8
|
| 566 |
PET-UNK-c6bcc80b-4_1
|
|
CS(=O)(=O)Nc1cc2c[nH+]cc(c2cc1F)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N |
−7.5
± 0.8
|
| 567 |
VLA-UNK-8e615992-4_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−7.5
± 0.5
|
| 568 |
VLA-UNK-8e615992-4_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)(F)F |
−7.5
± 0.5
|
| 569 |
PET-UNK-94036022-9_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.5
± 0.5
|
| 570 |
PET-UNK-94036022-9_1
|
|
C#CC1(CC1)CS(=O)(=O)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.5
± 0.5
|
| 571 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@@H+]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.6
|
| 572 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5cncc6c5cccc6)Cl |
−7.4
± 0.6
|
| 573 |
MAT-POS-69786b79-1_1
|
|
CNC(=O)C1(CC1)[N@]2Cc3ccc(cc3[C@]4(C2)CCN(C4=O)c5c[nH+]cc6c5cccc6)Cl |
−7.4
± 0.6
|
| 574 |
MAT-POS-50a80394-5_4
|
|
CC[C@H]1CN(C(=O)[C@@]12C[N@H+](Cc3c2cc(cc3)Cl)CC(=O)NC)c4cncc5c4cccc5 |
−7.4
± 0.3
|
| 575 |
ALP-POS-4483ae88-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.3
± 0.5
|
| 576 |
ALP-POS-4483ae88-2_1
|
|
CNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.3
± 0.5
|
| 577 |
MIK-ENA-be04d1d4-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.3
± 0.6
|
| 578 |
MIK-ENA-be04d1d4-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−7.3
± 0.6
|
| 579 |
MAT-POS-853c0ffa-11_1
|
|
CC(C)(c1ccc2cncc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−7.3
± 0.7
|
| 580 |
MAT-POS-853c0ffa-11_1
|
|
CC(C)(c1ccc2c[nH+]cc(c2c1)N3CC[C@@]4(C3=O)C[N@@](Cc5c4cc(cc5)Cl)S(=O)(=O)CC6(CC6)C#N)O |
−7.3
± 0.7
|
| 581 |
MIC-UNK-c85ea37c-3_1
|
|
CN(C)c1ccc(cc1)[C@@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−7.3
± 0.9
|
| 582 |
MIC-UNK-c85ea37c-3_1
|
|
CN(C)c1ccc(cc1)[C@@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6c[nH+]cc7c6cccc7 |
−7.3
± 0.9
|
| 583 |
MIC-UNK-c85ea37c-3_1
|
|
C[NH+](C)c1ccc(cc1)[C@@H]2CN(C(=O)[C@@]23C[N@@](Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)c6cncc7c6cccc7 |
−7.3
± 0.9
|
| 584 |
MIK-ENA-edcfce18-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.2
± 0.8
|
| 585 |
MIK-ENA-edcfce18-1_1
|
|
CC[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−7.2
± 0.8
|
| 586 |
ALP-POS-41e2080f-1_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.2
± 0.4
|
| 587 |
ALP-POS-41e2080f-1_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)CCS(=O)(=O)c5c4cc(cc5)Cl |
−7.2
± 0.4
|
| 588 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.2
± 0.8
|
| 589 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@@]4(C3=O)C[N@@H+](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.2
± 0.8
|
| 590 |
EDJ-MED-40e596c8-3_1
|
|
c1ccc2c(c1)cncc2N3CC[C@@]4(C3=O)C[N@](Cc5c4cc(cc5)Cl)CCNC(=O)C6CC6 |
−7.2
± 0.8
|
| 591 |
VLA-UNK-8e615992-5_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.1
± 0.4
|
| 592 |
VLA-UNK-8e615992-5_2
|
|
CNC(=O)CN1[C@H]([C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5C1=O)Cl)C(F)F |
−7.1
± 0.4
|
| 593 |
MAT-POS-50a80394-3_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.1
± 0.8
|
| 594 |
MAT-POS-50a80394-3_1
|
|
CC(C)[C@@H]1CN(C(=O)[C@@]12C[N@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−7.1
± 0.8
|
| 595 |
LUO-POS-e1dab717-11_1
|
|
CCNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3cncc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.1
± 0.7
|
| 596 |
LUO-POS-e1dab717-11_1
|
|
CCNC(=O)C[N@]1C[C@]2(CCN(C2=O)c3c[nH+]cc4c3cccc4)c5cc(ccc5S1(=O)=O)Cl |
−7.1
± 0.7
|
| 597 |
VLA-UNK-61877630-9_1
|
|
c1ccc2c(c1)cncc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−7.1
± 0.7
|
| 598 |
VLA-UNK-61877630-9_1
|
|
c1ccc2c(c1)c[nH+]cc2N3CC[C@]4(C3=O)c5cc(ccc5C[N@@]([C@H]4C(F)(F)F)S(=O)(=O)CC6(CC6)C#N)Cl |
−7.1
± 0.7
|
| 599 |
MIK-ENA-623fe2a6-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5cncc6c5cccc6 |
−7.0
± 0.8
|
| 600 |
MIK-ENA-623fe2a6-1_1
|
|
C[C@@H]1CN(C(=O)[C@@]12C[N@@](Cc3c2cc(cc3)Cl)S(=O)(=O)CC4(CC4)C#N)c5c[nH+]cc6c5cccc6 |
−7.0
± 0.8
|