Microstates

Showing 1 through 4 of 4
Rank Microstate SMILES ΔG / kcal M-1
1 JOH-SUS-a69c159d-6_1 molecule c1ccc2c(c1)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.8 ± 0.1
2 JOH-SUS-a69c159d-7_1 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.7 ± 0.1
3 MAT-POS-8a69d52e-7_1 molecule C[C@@H]1COc2ccc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl −7.92 ± 0.10
4 JAG-UCB-706446eb-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)[O-] −5.5 ± 0.3
Last updated 2020-12-01T05:30:15.109363+00:00
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