Microstates

Showing 2201 through 2300 of 7698
Rank Microstate SMILES ΔG / kcal M-1
2201 EDJ-MED-28ec730d-2_1 molecule COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.1
2202 EN300-53423_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCOC5 −10.0 ± 0.3
2203 EN300-193679_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NC[C@@]5(CCCOC5)O −10.0 ± 0.3
2204 VLA-UCB-34f3ed0c-15_1 molecule c1ccc2c(c1)cncc2N3C(=O)[C@@]4(CCOc5c4cc(cc5)Cl)N(C3=O)CN6CC[NH2+]CC6 −10.0 ± 0.5
2205 EN300-217107_1_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H]5C(=O)N −10.0 ± 0.2
2206 EN300-263085_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)C5(CC5)n6cnnn6 −10.0 ± 0.3
2207 EN300-1662365_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCc6ncnn6C5 −10.0 ± 0.3
2208 EN300-1722017_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6nccn6 −10.0 ± 0.3
2209 DAR-DIA-0d514e7d-30_1 molecule C[C@@]1(c2cc(ccc2OCC1(C)C)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2210 EN300-19542_2_1_1 molecule C[C@@H](C(=O)NC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
2211 EN300-7439284_1_1_1 molecule COc1cn[nH]c1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2212 EN300-316679_1_1_1 molecule CCC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
2213 EN300-154332_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@H]5CO −10.0 ± 0.3
2214 EN300-6482967_1_1_1 molecule CNS(=O)(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2215 EN300-224741_3_1_1 molecule CC[C@@H](CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
2216 EN300-226314_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@@H]5CCS(=O)(=O)C5 −10.0 ± 0.4
2217 EN300-04492_4_1_1 molecule COCCCNC(=O)COCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2218 EN300-59487_3_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CC(=O)NC5 −10.0 ± 0.3
2219 EN300-173903_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@H]5CO −10.0 ± 0.4
2220 DAR-DIA-0d514e7d-32_19 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3[C@H]4C[C@@H]4CO[C@@H]5[C@H]3C=C(C=C5)Cl −10.0 ± 0.3
2221 EN300-219437_1_1_1 molecule Cc1c(cnn1C)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2222 EN300-6491682_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N[C@@H]5CCc6c(n[nH]n6)C5 −10.0 ± 0.3
2223 EN300-1726340_2_1_1 molecule Cn1ccc(n1)n2cc(nc2)C(=O)NC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.4
2224 EN300-46832_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NC[C@@H]5CCOC5 −10.0 ± 0.3
2225 EN300-14395_1_1_1 molecule Cn1cc(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2226 EN300-249899_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6ncccn6cn5 −10.0 ± 0.2
2227 RAL-THA-065e0743-2_2 molecule Cc1c(c2ccccc2cn1)NC(=O)Cc3cc(cc(c3)Cl)O[C@H]4CC(=O)N4 −10.0 ± 0.4
2228 EN300-86205_3_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C(=O)NC=[NH+]C5=O −10.0 ± 0.3
2229 ALP-POS-2da19ca7-7_1 molecule C[C@@H]1C[N@@](CC[C@@H]1NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)S(=O)(=O)C −10.0 ± 0.3
2230 EN300-246248_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@H]5CCNC5=O −10.0 ± 0.2
2231 EDG-MED-90036822-66_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5F −10.0 ± 0.2
2232 EN300-101505_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CC(=O)N5 −10.0 ± 0.2
2233 EN300-20496_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCO[C@@H]5CCOC5=O −10.0 ± 0.3
2234 EN300-70522_1_1_1 molecule CS(=O)(=O)CCCC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
2235 EN300-10414_1_1_1 molecule C[C@@]1(CCS(=O)(=O)C1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2236 EN300-51350_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nncn6C5 −10.0 ± 0.2
2237 EN300-4287199_1_1_1 molecule Cc1cc(cc(=O)n1C)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2238 EN300-67302_1_1_1 molecule Cc1c(c(n[nH]1)C(=O)N)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2239 EN300-151423_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CC5(CCOCC5)O −10.0 ± 0.3
2240 EN300-1932780_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C(F)F)O −10.0 ± 0.2
2241 EN300-316216_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −10.0 ± 0.3
2242 EN300-316216_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCCn5cncn5 −10.0 ± 0.3
2243 EN300-16582_1_2_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)C −10.0 ± 0.3
2244 EN300-174668_1_2_1 molecule CO[C@]1(CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.4
2245 MAK-UNK-c749d764-28_6 molecule c1ccc2c(c1)cncc2N(C=O)C(=O)C[C@H]3CCC[C@@H]([C@H]3O)C(F)F −10.0 ± 0.3
2246 EN300-6491795_1_1_1 molecule C[C@@H]1C2(CC(C2)(O1)CO)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.3
2247 EN300-246178_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5)C[C@@H](CO)O −10.0 ± 0.3
2248 EN300-364679_4_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCn5cnnn5 −10.0 ± 0.3
2249 EN300-201180_1_4_1 molecule C[C@H]1CC[C@H](C(=O)N1)NC(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2250 EN300-18064_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC5 −10.0 ± 0.2
2251 EN300-88656_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS5(=O)=O −10.0 ± 0.3
2252 EN300-254121_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](c5cnc[nH]5)O −10.0 ± 0.3
2253 EN300-307084_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H]6C[C@H]5C[C@H]6O −10.0 ± 0.3
2254 ADA-UCB-dc2b944c-6_1 molecule c1ccc2c(c1)cncc2NC(=O)N(CCC34CCC(O3)CC4)c5cccc(c5)Cl −10.0 ± 0.4
2255 EDG-MED-90036822-77_1 molecule c1cc2c(c(cnc2)NC(=O)[C@]3(c4c(ccc(c4)Cl)OCC3)NC(=O)[C@H]5C[C@](C5)(F)CO)cc1 −10.0 ± 0.3
2256 EN300-783124_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]([C@@H]5CCOC5)F −10.0 ± 0.2
2257 EN300-39826_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nc6ncccn6n5 −10.0 ± 0.2
2258 EN300-23223_3_1_1 molecule CNC(=O)CNC(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2259 EN300-6494474_3_1_1 molecule Cn1cnnc1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2260 EN300-749499_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](C5(CCOCC5)O)O −10.0 ± 0.3
2261 EN300-132624_2_1_1 molecule CCC(=O)CNC(=O)COC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.4
2262 EN300-245061_3_1_1 molecule Cc1c(cn(n1)C)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2263 EN300-651307_3_2_1 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −10.0 ± 0.4
2264 EN300-180875_3_1_1 molecule CN(C)C(=O)C1(CC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2265 ED_-GRI-5b13fbe2-3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H](c5n[n-]nn5)[NH3+] −10.0 ± 0.3
2266 EN300-1932013_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H](CC(F)(F)F)O −10.0 ± 0.3
2267 EDJ-MED-ee07cf00-11_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@H](c3cccc(c3)Cl)NC(=O)[C@@H]4CC[C@H](O4)C(=O)N5CCCC5 −10.0 ± 0.5
2268 EN300-72730_1_2_1 molecule C[C@H](C#N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2269 EN300-1710153_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@@H](C(C5)(F)F)O −10.0 ± 0.2
2270 EN300-6082676_1_1_1 molecule C[C@@H]1C[C@@H](CCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2271 EN300-55109_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CO −10.0 ± 0.2
2272 EN300-143564_1_2_2 molecule CN1[C@H](SCC1=O)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.2
2273 EN300-05512_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)N[C@@H]5CCS(=O)(=O)C5 −10.0 ± 0.3
2274 EN300-174603_1_1_1 molecule CN(C(=O)CCO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)OC −10.0 ± 0.3
2275 EN300-00904_1_1_2 molecule Cc1cc([n+]2c(n1)N[C@H](N2)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6)C −10.0 ± 0.4
2276 EN300-1932780_2_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C(F)F)O −10.0 ± 0.2
2277 EN300-6356960_3_1_1 molecule Cn1cnnc1CCCC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2278 EN300-94945_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCNC5=O −10.0 ± 0.3
2279 EN300-7494324_1_1_1 molecule Cc1c(nc[nH]1)C[C@@H](C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)O −10.0 ± 0.3
2280 EN300-2011083_1_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)OCC5 −10.0 ± 0.3
2281 EN300-175425_1_1_1 molecule CC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)C(=O)OC −10.0 ± 0.2
2282 EN300-47500_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCCCn5cccn5 −10.0 ± 0.4
2283 EN300-128463_3_1_1 molecule CNC(=O)CC(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.3
2284 EN300-55109_2_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCC[C@@H]5CO −10.0 ± 0.3
2285 EN300-244148_1_1_1 molecule Cn1cc(c(n1)COC)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2286 EN300-1630093_1_2_1 molecule CC(C)(C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[C@]5(CCOC5)O −10.0 ± 0.3
2287 EN300-135530_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccnc5C(=O)N −10.0 ± 0.3
2288 EDG-MED-ba1ac7b9-19_4 molecule C[C@H]1c2nncn2CCN1C(=O)C[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −10.0 ± 0.3
2289 EN300-61636_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CC5)C(=O)NC6CC6 −10.0 ± 0.3
2290 EN300-72896_3_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC(=O)N5 −10.0 ± 0.3
2291 EN300-72730_1_1_1 molecule C[C@@H](C#N)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.0 ± 0.2
2292 EN300-103144_1_2_1 molecule CSCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.0 ± 0.3
2293 EN300-211203_1_1_1 molecule CC(C)[C@@]1(CC(=O)NC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2294 EN300-7473354_1_1_1 molecule Cc1ncn(n1)CC(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2295 EN300-6486855_3_1_1 molecule Cn1c(cnn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2296 EN300-6486855_3_1_1 molecule Cn1c(cnn1)CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2297 EN300-1718364_1_1_1 molecule CC1(CS(=O)(=O)C1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2298 EN300-1301381_1_1_1 molecule COC[C@@]1(CCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.0 ± 0.3
2299 EN300-1605226_1_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC6(C5)CNC(=O)N6 −10.0 ± 0.3
2300 JOH-UNI-f51e3bbc-4_1 molecule COc1c(c2ccccc2cn1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.0 ± 0.1
Last updated 2021-02-17T18:02:40.003401+00:00
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