| Rank |
Microstate |
SMILES |
ΔG / kcal M-1 |
| 2401 |
EN300-202922_3_2_1 |
|
C[C@H]([C@@](C)(C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−9.9
± 0.3
|
| 2402 |
EN300-219531_1_2_1 |
|
CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O |
−9.9
± 0.3
|
| 2403 |
EN300-1708882_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5COC[C@H]5O |
−9.9
± 0.3
|
| 2404 |
EN300-6238494_4_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC(=O)[C@@H]5COCCO5 |
−9.9
± 0.3
|
| 2405 |
EN300-210084_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5CCCC(=O)N5 |
−9.9
± 0.3
|
| 2406 |
EN300-222620_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(cnc5)O |
−9.9
± 0.4
|
| 2407 |
EN300-1706036_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5C(=O)NCCO5 |
−9.9
± 0.3
|
| 2408 |
EN300-261986_1_2_1 |
|
CS(=O)(=O)[N@]1CC[C@H](C1)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2409 |
EN300-1911992_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]([C@@H]5CCOC5)O |
−9.9
± 0.4
|
| 2410 |
EN300-113112_4_1_1 |
|
Cn1cnnc1COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
| 2411 |
EN300-126389_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5COC(=O)N5 |
−9.9
± 0.3
|
| 2412 |
EN300-101373_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@@H](C5)CO |
−9.9
± 0.4
|
| 2413 |
EN300-304662_3_1_1 |
|
C[C@@H]1NN[C@@H](O1)CCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2414 |
EN300-299532_1_2_1 |
|
CC(C)([C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)O |
−9.9
± 0.2
|
| 2415 |
EN300-04492_1_1_1 |
|
COCCCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.2
|
| 2416 |
EN300-265285_2_1_1 |
|
C[C@@H]1Cn2c(cc(n2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C(=O)N1 |
−9.9
± 0.4
|
| 2417 |
EDG-MED-90036822-108_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]([C@@H](CC5CC5)O)F |
−9.9
± 0.3
|
| 2418 |
EN300-99391_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CO[C@@H]5CCOC5 |
−9.9
± 0.3
|
| 2419 |
MAT-POS-de59a476-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](c3ccc(c(c3)Cl)Cl)OCCN4CCOCC4=O |
−9.9
± 0.5
|
| 2420 |
EN300-1700143_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)c6ncon6 |
−9.9
± 0.3
|
| 2421 |
EN300-6729572_1_7_1 |
|
C[C@@H]([C@H]1C[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
| 2422 |
EN300-131093_3_2_1 |
|
C[C@H](C(=O)NCC(=O)C)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
| 2423 |
EN300-101197_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5[nH]ncn5 |
−9.9
± 0.3
|
| 2424 |
KAD-UNI-8a629cb0-42_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5CN6C(=O)N |
−9.9
± 0.3
|
| 2425 |
EN300-158272_1_1_1 |
|
CC(=O)N1C[C@H](C[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC |
−9.9
± 0.3
|
| 2426 |
EN300-7433125_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]56C[C@@H]5[C@@H](C6)O |
−9.9
± 0.2
|
| 2427 |
EN300-197715_2_1_1 |
|
Cc1nnnn1CCCOC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2428 |
EN300-39151_1_1_1 |
|
Cc1ccc(c(=O)[nH]1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2429 |
EN300-2855057_1_2_1 |
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)N5CCOCC5 |
−9.9
± 0.3
|
| 2430 |
EN300-246248_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCNC5=O |
−9.9
± 0.2
|
| 2431 |
EN300-51736_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5cccc(c5)C(=O)N |
−9.9
± 0.3
|
| 2432 |
EN300-31553_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCS(=O)(=O)N |
−9.9
± 0.3
|
| 2433 |
EN300-114082_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)C#N |
−9.9
± 0.2
|
| 2434 |
EN300-6729747_1_1_4 |
|
C[C@H]1NN[C@H]2[N@H+]1C[C@@H](C2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.9
± 0.4
|
| 2435 |
EN300-175186_2_2_1 |
|
C[C@H](CO)OC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.2
|
| 2436 |
EN300-169955_1_4_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CC(=O)N5)C(F)(F)F |
−9.9
± 0.3
|
| 2437 |
EN300-50009_3_1_1 |
|
COC(=O)NCC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
| 2438 |
EN300-640503_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@H](C56CCOCC6)O |
−9.9
± 0.4
|
| 2439 |
EDJ-MED-7320d5d2-1_1
|
|
c1ccc2c(c1)cncc2NC(=O)Cc3cc(cc(c3)Cl)O[C@@H]4CC(=O)N4 |
−9.9
± 0.4
|
| 2440 |
EN300-188356_3_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@]5(CCOC5)F |
−9.9
± 0.3
|
| 2441 |
EN300-6481287_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CO[C@H]5[C@@H](C[C@H]6[C@@H]5CC6=O)O |
−9.9
± 0.3
|
| 2442 |
EN300-19507_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(F)F |
−9.9
± 0.2
|
| 2443 |
EN300-1968342_4_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H](CF)O |
−9.9
± 0.4
|
| 2444 |
ALP-UNI-dbbfd3db-6_4
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](O5)C(=O)N6CCCC6 |
−9.9
± 0.4
|
| 2445 |
EN300-1301381_3_1_1 |
|
COC[C@@]1(CCCO1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
| 2446 |
EN300-268198_1_2_1 |
|
C[C@H](CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N |
−9.9
± 0.3
|
| 2447 |
EN300-305282_1_1_1 |
|
COC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC |
−9.9
± 0.4
|
| 2448 |
EN300-233678_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]([C@@H](C5)CO)O |
−9.9
± 0.3
|
| 2449 |
EN300-364679_2_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCCn5cnnn5 |
−9.9
± 0.3
|
| 2450 |
EDJ-MED-4c7486ba-9_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCSC5)O |
−9.9
± 0.4
|
| 2451 |
EN300-141809_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC56CCS(=O)(=O)CC6 |
−9.9
± 0.3
|
| 2452 |
EN300-259063_1_2_1 |
|
CC(=O)N1CCC[C@](C1)(CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
| 2453 |
EN300-247343_3_1_1 |
|
CC1(CC(C1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
| 2454 |
EN300-120920_3_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H]5CCC(=O)NC5=O |
−9.9
± 0.2
|
| 2455 |
EN300-43047_1_2_1 |
|
CC(=O)N[C@H](CC=C)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
| 2456 |
EN300-220194_3_1_1 |
|
C[C@@H]([C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O)OC |
−9.9
± 0.3
|
| 2457 |
EN300-156995_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCc5cn[nH]n5 |
−9.9
± 0.3
|
| 2458 |
EN300-175485_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)CO |
−9.9
± 0.4
|
| 2459 |
EN300-11300_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5cc(=O)[nH]c(=O)[nH]5 |
−9.9
± 0.3
|
| 2460 |
EN300-153257_1_1_1 |
|
CC(C)[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
| 2461 |
EN300-98648_3_1_1 |
|
CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
| 2462 |
EN300-98648_3_1_1 |
|
CN1CC[C@@H](C1=O)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
| 2463 |
EN300-253443_3_2_1 |
|
CCCN1C[C@H](CC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2464 |
EN300-10402_1_1_1 |
|
CS(=O)(=O)[N@]1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.4
|
| 2465 |
EN300-198240_3_2_1 |
|
Cn1cc(cn1)[C@H](C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC |
−9.9
± 0.3
|
| 2466 |
EN300-189672_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccc(=O)[nH]c5 |
−9.9
± 0.2
|
| 2467 |
EN300-80083_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCCC(=O)N5 |
−9.9
± 0.3
|
| 2468 |
EN300-201553_1_1_1 |
|
Cn1cc(cn1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2469 |
EN300-201553_1_1_1 |
|
C[n+]1cc(c[nH]1)OCC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2470 |
DAR-DIA-0d514e7d-8_1
|
|
C[C@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)C#N |
−9.89
± 0.07
|
| 2471 |
EN300-657211_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5[nH]nc(n5)C6CC6 |
−9.9
± 0.3
|
| 2472 |
EN300-1425677_2_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@]5(CCCO5)CO |
−9.9
± 0.3
|
| 2473 |
EN300-210552_3_2_1 |
|
CC(=O)N1CCC[C@](C1)(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.5
|
| 2474 |
EN300-1239522_1_2_1 |
|
C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC |
−9.9
± 0.3
|
| 2475 |
EN300-7426520_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CCOC(=O)[C@H]6C5 |
−9.9
± 0.3
|
| 2476 |
EN300-1654606_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5F |
−9.9
± 0.2
|
| 2477 |
EN300-1654606_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@@H]5F |
−9.9
± 0.2
|
| 2478 |
MIC-UNK-c66144cb-3_1
|
|
c1ccc2c(c1)cncc2NC(=O)[C@@H](CCC3CCCCC3)c4cccc(c4)Cl |
−9.9
± 0.3
|
| 2479 |
EN300-341337_1_2_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@@H]5CCOC6 |
−9.9
± 0.3
|
| 2480 |
EN300-185398_2_2_1 |
|
C[C@H](C(C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)(F)F)O |
−9.9
± 0.2
|
| 2481 |
EN300-142412_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCCC(=O)N |
−9.9
± 0.3
|
| 2482 |
DAR-DIA-0d514e7d-28_1_1
|
|
C[C@H]1COc2ccc(cc2[C@]1(C)C(=O)Nc3cncc4c3cccc4)Cl |
−9.9
± 0.1
|
| 2483 |
EN300-51028_1_1_1 |
|
CC(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 |
−9.9
± 0.3
|
| 2484 |
MAT-POS-e9e99895-13_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)NC(=O)[C@@H]4CC[N@@H+](C4)C |
−9.9
± 0.3
|
| 2485 |
EN300-307008_1_1_1 |
|
CN1[C@@H](CNC1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.2
|
| 2486 |
EN300-42269_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnns5 |
−9.9
± 0.2
|
| 2487 |
EN300-10747_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CSCC5=O |
−9.9
± 0.3
|
| 2488 |
EN300-6736413_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCNC5=O |
−9.9
± 0.2
|
| 2489 |
EN300-6736413_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)O[C@@H]5CCNC5=O |
−9.9
± 0.2
|
| 2490 |
EN300-101197_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5[nH]ncn5 |
−9.9
± 0.2
|
| 2491 |
EN300-331593_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC(C5)CO |
−9.9
± 0.3
|
| 2492 |
EN300-31183_3_1_1 |
|
C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)COC |
−9.9
± 0.3
|
| 2493 |
EN300-239219_1_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5nc(no5)c6cnccn6 |
−9.9
± 0.2
|
| 2494 |
DAR-DIA-6a508060-9_2
|
|
c1ccc2c(c1)cncc2NC(=O)[C@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 |
−9.9
± 0.4
|
| 2495 |
ALP-UNI-dbbfd3db-8_1
|
|
c1ccc(cc1)c2nnn(n2)CC(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 |
−9.9
± 0.3
|
| 2496 |
EN300-7355519_1_3_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5C[C@H]6[C@@H](O5)CCO6 |
−9.9
± 0.3
|
| 2497 |
EN300-6744028_3_1_1 |
|
c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5C[C@H]6C[C@@H]5[C@@H]([C@@H]6O)O |
−9.9
± 0.3
|
| 2498 |
EN300-188324_2_3_1 |
|
C[C@@H]1[C@](CCO1)(CNC(=O)CC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O |
−9.9
± 0.3
|
| 2499 |
EN300-132963_3_1_1 |
|
CN1[C@@H](CCC1=O)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 |
−9.9
± 0.3
|
| 2500 |
MAT-POS-fce787c2-7_1
|
|
C[C@@](c1ccc(c(c1)Cl)Cl)(C(=O)Nc2cncc3c2cccc3)[NH3+] |
−9.9
± 0.4
|