Microstates

Showing 5201 through 5300 of 6099
Rank Microstate SMILES ΔG / kcal M-1
5201 EN300-42819_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCC(=O)NC5 −4.9 ± 0.3
5202 EN300-1293808_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@]5(CCSC5)OCCO −4.9 ± 0.3
5203 EN300-124213_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CS(=O)(=O)CCO5 −4.9 ± 0.3
5204 EN300-98099_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cc(cs5)S(=O)(=O)N −4.9 ± 0.3
5205 EN300-55109_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5CO −4.9 ± 0.3
5206 EN300-42252_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cn6cccnc6[nH+]5 −4.9 ± 0.3
5207 EN300-107493_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@@H]5CCNC(=O)C5 −4.9 ± 0.2
5208 EN300-52212_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC[N@@H+](C5)CC(=O)N −4.9 ± 0.5
5209 EN300-386232_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](C[C@@H]5CCCO5)CO −4.9 ± 0.3
5210 EN300-58864_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccc(nc5)C(=O)N −4.9 ± 0.3
5211 EN300-80230_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ncccn5 −4.9 ± 0.2
5212 EN300-80230_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ncccn5 −4.9 ± 0.2
5213 EN300-178515_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCC(=O)N −4.9 ± 0.3
5214 EN300-98313_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@]5(CCSC5)O −4.9 ± 0.3
5215 EN300-657153_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CC6(C5)CS(=O)(=O)C6 −4.9 ± 0.2
5216 EN300-1709745_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5cn(nn5)C6COC6 −4.9 ± 0.3
5217 EN300-7500408_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@]5(CCCOC5)CO −4.9 ± 0.3
5218 EN300-51459_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H](C(F)(F)F)O −4.9 ± 0.4
5219 EN300-10170_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](CO)NC(=O)N −4.9 ± 0.3
5220 EN300-3451857_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[C@@H]5CCC(=O)NC5=O −4.9 ± 0.3
5221 EN300-40006_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNC(=O)c5cccnc5 −4.9 ± 0.3
5222 EN300-115058_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5(CCC5)C(=O)N −4.9 ± 0.4
5223 EN300-6494606_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cn5cc(c(=O)[nH]c5=O)Cl −4.9 ± 0.3
5224 EN300-1073068_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H]5CCC(=O)NC5 −4.9 ± 0.3
5225 EN300-1273016_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCc6n5ncn6 −4.9 ± 0.3
5226 EN300-19762_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCO)CCO −4.9 ± 0.4
5227 EN300-1272295_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[N@@]6CCCS6(=O)=O −4.8 ± 0.4
5228 EN300-45182_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCCN5CCOC5=O −4.8 ± 0.3
5229 EN300-251562_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c[nH+]c6n5nccc6 −4.8 ± 0.3
5230 EN300-246808_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCCS5(=O)=O −4.8 ± 0.5
5231 EN300-246808_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCCS5(=O)=O −4.8 ± 0.5
5232 EN300-146491_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCC(=O)N5 −4.8 ± 0.3
5233 EN300-6473108_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5cc6cccnn6n5 −4.8 ± 0.2
5234 EN300-7470948_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCc5c(nco5)CO −4.8 ± 0.3
5235 EN300-215014_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC[C@]5(CCCOC5)O −4.8 ± 0.3
5236 EN300-251851_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CCc5n[n-]nn5 −4.8 ± 0.3
5237 EN300-210933_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5CCN(C5)C(=O)N −4.8 ± 0.2
5238 EN300-39785_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5ccn[nH]5 −4.8 ± 0.3
5239 EN300-39785_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5ccn[nH]5 −4.8 ± 0.3
5240 EN300-395654_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H](C6(C5)COC6)CO −4.8 ± 0.3
5241 EN300-246808_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCCS5(=O)=O −4.8 ± 0.5
5242 EN300-246808_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@@H]5CCCS5(=O)=O −4.8 ± 0.5
5243 EN300-318250_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC[NH+](CC5)CC(=O)N −4.8 ± 0.4
5244 EN300-318250_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC5CC[NH+](CC5)CC(=O)N −4.8 ± 0.4
5245 EN300-19625_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCC[NH+]5CCOCC5 −4.8 ± 0.3
5246 EN300-1587757_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCNS5(=O)=O −4.8 ± 0.2
5247 EN300-6479181_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CC[C@@H]6N5C(=O)CC6 −4.8 ± 0.3
5248 EN300-205486_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)Cc5c[nH]ccc5=O −4.8 ± 0.3
5249 EN300-6729730_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCNS(=O)(=O)C5CC5 −4.8 ± 0.3
5250 EN300-262409_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)n6cnnn6 −4.8 ± 0.2
5251 EN300-250120_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CC5CCS(=O)(=O)CC5 −4.8 ± 0.3
5252 EN300-190026_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H](CO)[C@@H]5CCCO5 −4.8 ± 0.5
5253 EN300-226921_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCC[N@@H+]5CCCO −4.8 ± 0.3
5254 EN300-749499_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H](C5(CCOCC5)O)O −4.8 ± 0.3
5255 EN300-310398_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC5CCN(CC5)S(=O)(=O)N −4.8 ± 0.3
5256 EN300-307190_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5c[nH+]c6n5CCOC6 −4.8 ± 0.3
5257 EN300-2969289_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@]5(CCCOC5)CO −4.8 ± 0.5
5258 EN300-1265946_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)C(=O)N −4.8 ± 0.3
5259 EN300-1265946_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC(CC5)C(=O)N −4.8 ± 0.3
5260 EN300-1722016_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC5(CC5)n6nccn6 −4.8 ± 0.3
5261 EN300-35843_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5[nH]c(=O)[nH]n5 −4.8 ± 0.3
5262 EN300-6732769_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[C@@H]6CC(=O)NC6=O −4.8 ± 0.3
5263 EN300-37077_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5ccn[nH]5 −4.8 ± 0.2
5264 EN300-107435_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CCCCS5(=O)=O −4.8 ± 0.3
5265 EN300-1697735_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](CNC(=O)N)O −4.8 ± 0.4
5266 EN300-378760_2_1 molecule CS(=O)(=O)[C@H]1C[C@@H](C1)NC(=O)CC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 −4.8 ± 0.3
5267 EN300-6482801_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@H](C5)C6(CC6)O −4.8 ± 0.3
5268 EN300-175160_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](C(F)F)O −4.8 ± 0.3
5269 EN300-175160_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H](C(F)F)O −4.8 ± 0.3
5270 EN300-13489_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5CCN(CC5)C(=O)N −4.8 ± 0.3
5271 EN300-189901_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccnc6c5[nH]c(=O)[nH]6 −4.8 ± 0.2
5272 EN300-7429986_2_1 molecule CS(=O)(=O)C[C@H]1C[C@@H](C1)NC(=O)CC[C@@]2(c3c(ccc(c3)Cl)OCC2)C(=O)Nc4c5c(cnc4)cccc5 −4.8 ± 0.4
5273 EN300-61636_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)C(=O)NC6CC6 −4.8 ± 0.3
5274 ALP-POS-d3acb8cc-2_1 molecule C[C@H]1C[C@@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −4.8 ± 0.1
5275 EN300-190253_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(cc(=O)o5)[O-] −4.8 ± 0.3
5276 EN300-127843_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)NCC5CC5 −4.8 ± 0.3
5277 EN300-57126_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@H](CN5CCCC5=O)O −4.8 ± 0.6
5278 EN300-72556_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCO[C@H](C5)c6n[n-]nn6 −4.8 ± 0.3
5279 EN300-6486793_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CCCC5)S(=O)(=O)N −4.8 ± 0.3
5280 EN300-96159_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5[nH]ncn5 −4.8 ± 0.2
5281 EN300-313366_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C56CC[NH+](C5)CC6 −4.8 ± 0.2
5282 EN300-247026_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCN5CCOCC5=O −4.8 ± 0.3
5283 EN300-1587757_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCCNS5(=O)=O −4.8 ± 0.2
5284 EN300-6504535_2_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@H]5C[C@H](CO5)CO −4.8 ± 0.3
5285 EN300-386232_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@H](C[C@H]5CCCO5)CO −4.8 ± 0.3
5286 EN300-6758891_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6COCCN6C(=O)C5 −4.8 ± 0.3
5287 EN300-246440_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)n6cncn6 −4.8 ± 0.3
5288 EN300-72556_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCO[C@@H](C5)c6n[n-]nn6 −4.8 ± 0.4
5289 EN300-311920_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@]5(CCS(=O)(=O)C5)F −4.8 ± 0.3
5290 EN300-704039_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5C[C@@H](C56CCOCC6)O −4.8 ± 0.3
5291 EN300-245318_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCN(C5)C(=O)C6CC6 −4.8 ± 0.3
5292 EN300-6489476_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC(C5)[N@@H+]6CCNC(=O)C6 −4.8 ± 0.3
5293 EN300-10673_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCO)[C@H]5CCS(=O)(=O)C5 −4.8 ± 0.5
5294 EN300-133915_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)c5csc(=O)[nH]5 −4.8 ± 0.3
5295 EN300-215014_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[C@@]5(CCCOC5)O −4.8 ± 0.3
5296 EN300-384280_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCCn5ccc(=O)[nH]c5=O −4.8 ± 0.3
5297 MAK-UNK-8be7dca9-7_2 molecule c1cc2cncc(c2cc1C(=O)[O-])NC(=O)[C@H]3CCOc4c3cc(cc4)Cl −4.8 ± 0.2
5298 EN300-93574_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CC[S@](=O)C5 −4.8 ± 0.3
5299 EN300-322161_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)C[N@H+]5CCn6ccnc6C5 −4.8 ± 0.4
5300 EN300-1087187_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5C[C@H]6CCC(=O)N[C@H]6C5 −4.8 ± 0.3
Last updated 2020-12-08T20:22:29.488528+00:00
Generated by fah-xchem version 0.1.0+46.g08bf2f5.dirty