Microstates

Showing 2201 through 2300 of 6099
Rank Microstate SMILES ΔG / kcal M-1
2201 EN300-195464_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCC(=O)NCC(F)F −7.3 ± 0.2
2202 EN300-104395_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5CCCO5 −7.3 ± 0.2
2203 EN300-266299_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H](C5)O −7.3 ± 0.2
2204 EN300-106781_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5ccc(=O)[nH]c5=O −7.3 ± 0.3
2205 EN300-6735421_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC5(C[NH+](C5)C6CC6)CO −7.3 ± 0.3
2206 EN300-1699871_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCS(=O)(=O)N5 −7.3 ± 0.3
2207 EN300-306105_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(cn5)c6n[n-]nn6 −7.3 ± 0.2
2208 EN300-88656_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCCS5(=O)=O −7.3 ± 0.2
2209 DAR-DIA-23e5a6a0-8_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CC6([NH2+]5)COC6)Cl −7.3 ± 0.3
2210 EN300-366278_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(=O)NCC56COC6 −7.3 ± 0.3
2211 EN300-6763072_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CS(=O)(=O)C56CC(C5)C6 −7.3 ± 0.3
2212 EN300-1699871_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COC[C@@H]5CCS(=O)(=O)N5 −7.3 ± 0.2
2213 EN300-71125_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCn6cnnc6C5 −7.3 ± 0.3
2214 EN300-1704723_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cn(nn5)CCCF −7.3 ± 0.3
2215 EN300-31562_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCc5c[nH]nc5 −7.3 ± 0.3
2216 EN300-298582_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC[C@H]5CC(=O)NC5 −7.3 ± 0.3
2217 EN300-157541_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCS(=O)(=O)C[C@H]5CO −7.3 ± 0.4
2218 EN300-315836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5[nH]ccn5 −7.3 ± 0.2
2219 EN300-315836_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5[nH]ccn5 −7.3 ± 0.2
2220 EN300-62191_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC(=O)NC5 −7.2 ± 0.2
2221 EN300-62191_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@H]5CCC(=O)NC5 −7.2 ± 0.2
2222 EN300-233678_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]([C@H](C5)CO)O −7.2 ± 0.2
2223 EN300-1268016_1_13 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5C[C@@H]6[C@@H]5C[C@@H](C6)C(=O)N −7.2 ± 0.2
2224 EN300-6745581_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5nncn5C6CC6 −7.2 ± 0.2
2225 EN300-68618_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cocn5 −7.2 ± 0.2
2226 EN300-316193_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6COC(=O)[C@H]6C5 −7.2 ± 0.2
2227 EN300-1644723_2_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5[C@@H]6[C@H]5COCC6 −7.2 ± 0.3
2228 EN300-1721883_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCC5(CC5)n6ccnn6 −7.2 ± 0.2
2229 EN300-331993_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)COCC(=O)Nc5[nH]ccn5 −7.2 ± 0.2
2230 EN300-367405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)n6ccnn6 −7.2 ± 0.2
2231 EN300-367405_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC(C5)n6ccnn6 −7.2 ± 0.2
2232 EN300-4293814_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CS(=O)(=O)CCO −7.2 ± 0.5
2233 EN300-86732_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCNC(=O)[C@@H]5CCCO5 −7.2 ± 0.2
2234 DAR-DIA-23e5a6a0-1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@@H]5CCC6([NH2+]5)CCC6)Cl −7.2 ± 0.3
2235 EN300-135123_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5ccc(cc5)C(=O)N −7.2 ± 0.3
2236 EN300-4726186_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[N@]5CCCNS5(=O)=O −7.2 ± 0.4
2237 EN300-7355519_3_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5C[C@H]6[C@H](O5)CCO6 −7.2 ± 0.3
2238 EN300-6488157_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cccc6n5cnn6 −7.2 ± 0.3
2239 EN300-220527_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5[nH]ccn5 −7.2 ± 0.2
2240 EN300-761746_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5c(=O)[nH]c(=O)[nH]n5 −7.2 ± 0.3
2241 EN300-128277_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C(=O)NCC(F)F −7.2 ± 0.2
2242 EN300-1720496_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@](C5)(C(C(=O)N)(F)F)O −7.2 ± 0.3
2243 EN300-1425899_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@@H](C5)CS(=O)(=O)N −7.2 ± 0.3
2244 EN300-195756_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@@H]5CCC(=O)N5 −7.2 ± 0.2
2245 EN300-178829_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC(=O)NCC5CC5 −7.2 ± 0.3
2246 EN300-378316_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCc5nnc6n5cc[nH]c6=O −7.2 ± 0.3
2247 EN300-1222454_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5cn(nn5)[C@@H]6CCOC6 −7.2 ± 0.2
2248 EN300-72211_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5CC5)O −7.2 ± 0.3
2249 EN300-18064_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC5 −7.2 ± 0.2
2250 EN300-222120_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(c6cn[nH]n6)O −7.2 ± 0.4
2251 EN300-45049_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCS(=O)(=O)N5 −7.2 ± 0.3
2252 EN300-259849_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CN5CCCC[C@@H](C5=O)O −7.2 ± 0.5
2253 EN300-80230_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ncccn5 −7.2 ± 0.2
2254 EN300-80230_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ncccn5 −7.2 ± 0.2
2255 EN300-210084_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@H]5CCCC(=O)N5 −7.2 ± 0.3
2256 EN300-90293_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CCc6c(n[nH]n6)C5 −7.2 ± 0.2
2257 EN300-7430501_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCn6c(cnn6)C5 −7.2 ± 0.3
2258 EN300-7430501_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCn6c(cnn6)C5 −7.2 ± 0.3
2259 EN300-783124_2_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]([C@H]5CCOC5)F −7.2 ± 0.3
2260 EN300-110245_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)NCCS(=O)(=O)CC5CC5 −7.2 ± 0.6
2261 EN300-98099_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5cc(cs5)S(=O)(=O)N −7.2 ± 0.3
2262 EN300-97758_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)CCF −7.2 ± 0.2
2263 EN300-15368_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccccc5OCC(=O)N −7.2 ± 0.3
2264 EN300-100768_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCN6[C@@H](C5)CNC(=O)C6=O −7.2 ± 0.3
2265 EN300-7456948_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)Cc5cccnn5 −7.2 ± 0.3
2266 EN300-62449_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCNC(=O)C5CCC5 −7.2 ± 0.3
2267 EN300-731622_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@@H]5COCCO5 −7.2 ± 0.3
2268 EN300-7473032_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCNC(=O)[C@H]5C(=O)N −7.2 ± 0.3
2269 EN300-256174_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N(CCO)c5ccncn5 −7.2 ± 0.3
2270 EN300-1267093_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC(=O)N5CC[C@@H]6C[C@@]6(C5)O −7.2 ± 0.3
2271 EN300-7432415_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C6(CCC6)OC(=O)N5 −7.2 ± 0.2
2272 EN300-1657635_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5COC[C@H]5F −7.2 ± 0.2
2273 EN300-134536_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5ccnn5CCO −7.2 ± 0.2
2274 EN300-315792_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)COCC(F)F −7.2 ± 0.2
2275 DAR-DIA-23e5a6a0-7_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4C[C@H]5CC6([NH2+]5)CCC6)Cl −7.2 ± 0.3
2276 EN300-62808_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5cnc[nH]5 −7.2 ± 0.2
2277 EN300-1073320_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H](C5(CCC5)O)O −7.2 ± 0.2
2278 EN300-69993_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[N@H+](CC5)CCO −7.2 ± 0.4
2279 EN300-6737762_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CCCCNC5=O −7.2 ± 0.3
2280 EN300-59733_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CCNC(=O)C5 −7.2 ± 0.2
2281 EN300-187385_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCc5ccc(=O)[nH]c5 −7.2 ± 0.3
2282 EN300-6732376_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOCC[C@@H]5CO −7.2 ± 0.3
2283 EN300-93491_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NCc5nnnn5C6CC6 −7.2 ± 0.3
2284 EN300-364612_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]6[C@@H]5C(=O)NCCO6 −7.2 ± 0.2
2285 ALP-POS-d3acb8cc-1_1 molecule C[C@@H]1C[C@H](c2cc(ccc2O1)Cl)C(=O)Nc3cncc4c3cccc4 −7.21 ± 0.08
2286 EN300-4698402_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@H]5C[C@@H]5F −7.2 ± 0.2
2287 EN300-35843_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5[nH]c(=O)[nH]n5 −7.2 ± 0.2
2288 EN300-7445540_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cc(nn5)C6(COC6)O −7.2 ± 0.3
2289 EN300-6735421_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCC5(C[NH+](C5)C6CC6)CO −7.2 ± 0.3
2290 DAR-DIA-0d514e7d-12_1 molecule C[C@H]1COc2c(cc(cc2[C@@H]1C(=O)Nc3cncc4c3cccc4)Cl)c5ccc(cc5F)F −7.2 ± 0.2
2291 EN300-11441_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cc5cc(=O)[nH]c(=O)[nH]5 −7.2 ± 0.3
2292 EN300-129424_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC[C@H]5O −7.2 ± 0.2
2293 EN300-251752_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H](Cn5ccnn5)O −7.2 ± 0.3
2294 EN300-11300_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5cc(=O)[nH]c(=O)[nH]5 −7.2 ± 0.2
2295 EN300-1696962_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCCn5cnnn5 −7.2 ± 0.3
2296 EN300-306105_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)c5ccc(cn5)c6n[n-]nn6 −7.2 ± 0.3
2297 EN300-188356_2_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@@]5(CCOC5)F −7.2 ± 0.2
2298 EN300-28262_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)c5ccnc6n5ncn6 −7.2 ± 0.3
2299 EN300-1215738_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC[C@@H]5CCC(=O)NC5 −7.2 ± 0.3
2300 EN300-195756_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5CCC(=O)N5 −7.2 ± 0.3
Last updated 2020-12-09T19:38:12.118034+00:00
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