Microstates

Showing 101 through 200 of 6099
Rank Microstate SMILES ΔG / kcal M-1
101 EN300-6482296_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@@H]6[C@@H]5COC6 −9.9 ± 0.2
102 EN300-143449_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCN(=O)=O −9.8 ± 0.2
103 EN300-332606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCC(=O)O5 −9.8 ± 0.2
104 EN300-201551_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5COCC[N@]5CC(F)(F)F −9.8 ± 0.2
105 EN300-78368_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCCCC5)NC(=O)N −9.8 ± 0.4
106 EN300-1644723_1_8 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6[C@H]5COCC6 −9.8 ± 0.2
107 EN300-208959_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CNC(=O)C[C@H]5C(F)(F)F −9.8 ± 0.2
108 EN300-120586_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NCC(F)F −9.8 ± 0.2
109 EN300-77778_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCS(=O)(=O)C5 −9.8 ± 0.2
110 EN300-244909_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO −9.8 ± 0.3
111 EN300-122849_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCOC[C@@H]5c6ncon6 −9.8 ± 0.3
112 EN300-222357_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCc5cn[nH]n5 −9.8 ± 0.2
113 EN300-124301_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCn5ccnn5 −9.8 ± 0.2
114 EN300-99391_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@@H]5CCOC5 −9.8 ± 0.2
115 EN300-36111_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCCC5=O −9.8 ± 0.2
116 EN300-220228_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6cc[nH]n6c5=O −9.8 ± 0.2
117 EN300-301925_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCOC5)C#N −9.8 ± 0.3
118 EN300-399606_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCC[C@@H]6O −9.8 ± 0.2
119 EN300-749499_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5(CCOCC5)O)O −9.8 ± 0.2
120 EN300-82616_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCNC5=O −9.8 ± 0.3
121 EN300-263085_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CC5)n6cnnn6 −9.8 ± 0.2
122 EN300-1268016_1_7 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 −9.8 ± 0.3
123 EN300-658865_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc([nH]n5)CO −9.8 ± 0.2
124 EN300-6488240_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nncs5 −9.8 ± 0.2
125 EN300-170985_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5OCCCO5 −9.7 ± 0.2
126 EN300-260152_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnns5 −9.7 ± 0.2
127 EN300-250112_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5csc(n5)CO −9.7 ± 0.2
128 EN300-244278_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCOC6 −9.7 ± 0.2
129 EN300-18928_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@H]5CSCN5C(=O)C6CC6 −9.7 ± 0.3
130 EN300-6494158_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OC[C@@H]5C[C@H](CO5)CO −9.7 ± 0.2
131 EN300-20496_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCOC5=O −9.7 ± 0.2
132 EN300-111863_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cnc(n5)C#N −9.7 ± 0.2
133 EN300-149296_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)F −9.7 ± 0.2
134 EN300-366687_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCc6nncn6CC5 −9.7 ± 0.2
135 EN300-6478631_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6n5cnn6 −9.7 ± 0.2
136 MAK-UNK-8be7dca9-5_1 molecule c1cc2c(cc1C[NH3+])cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −9.7 ± 0.1
137 EN300-256174_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CCO)c5ccncn5 −9.7 ± 0.3
138 EN300-7537194_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6cnnc6c5 −9.7 ± 0.2
139 EN300-61140_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCc5nc(no5)c6[nH]ncn6 −9.7 ± 0.3
140 EN300-24419_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(ccs5)S(=O)(=O)N −9.7 ± 0.3
141 EN300-102853_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6nnnn6c5 −9.7 ± 0.2
142 EN300-138676_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N(CC(=O)N)CC(F)(F)F −9.7 ± 0.3
143 EN300-10334_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]56CCC(=O)N5CCS6 −9.7 ± 0.3
144 EN300-149013_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(n[nH]n5)Cl −9.7 ± 0.2
145 EN300-6474341_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6cnnc6C5 −9.7 ± 0.2
146 EN300-104395_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCO5 −9.7 ± 0.2
147 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −9.7 ± 0.2
148 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −9.7 ± 0.2
149 EN300-54588_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCn6c5ncn6 −9.7 ± 0.2
150 EN300-219496_3_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@H]5CCC[N@](C5)S(=O)(=O)N −9.7 ± 0.6
151 EN300-701244_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]6CS(=O)(=O)C[C@]6(C5)C#N −9.7 ± 0.3
152 EN300-146491_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCC(=O)N5 −9.7 ± 0.2
153 EN300-6736413_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −9.7 ± 0.2
154 EN300-6736413_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCNC5=O −9.7 ± 0.2
155 EN300-624143_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N[C@@H]5CC56CC(C6)O −9.7 ± 0.3
156 EN300-192893_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(c5)ncn6 −9.7 ± 0.2
157 EN300-124652_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@H]5CC(=O)N −9.7 ± 0.2
158 EN300-7549839_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]c5n6cnnn6 −9.7 ± 0.2
159 EN300-251396_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@](C5)(CO)O −9.6 ± 0.3
160 EN300-97055_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]ccn5 −9.6 ± 0.2
161 EN300-3710141_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCO5)C#N −9.6 ± 0.2
162 EN300-22880_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N5CCC[C@@H](C5)C(=O)N −9.6 ± 0.3
163 EN300-333468_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnn(c5Cl)CCO −9.6 ± 0.2
164 EN300-82616_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCCNC5=O −9.6 ± 0.3
165 EN300-322100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6 −9.6 ± 0.2
166 EN300-31998_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cn[nH]n5 −9.6 ± 0.2
167 EN300-1178005_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc(on5)C#N −9.6 ± 0.2
168 EN300-248618_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)C5CC5 −9.6 ± 0.2
169 EN300-7459768_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CC(C5)(C6(CCC6)O)O −9.6 ± 0.3
170 EN300-1697480_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnc6c(cnn6c5)C#N −9.6 ± 0.3
171 EN300-1644723_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@@H]6[C@@H]5COCC6 −9.6 ± 0.2
172 EN300-13489_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCN(CC5)C(=O)N −9.6 ± 0.3
173 EDJ-MED-28ec730d-5_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCc5c[nH]nc5 −9.6 ± 0.2
174 VLA-UCB-551c2366-1_1 molecule CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −9.6 ± 0.2
175 EN300-7445890_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCC6(C5)[C@@H](C[C@@H]6O)O −9.6 ± 0.3
176 EN300-6482296_1_6 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CO[C@H]6[C@H]5COC6 −9.6 ± 0.2
177 EN300-217416_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCCn6c5nnn6 −9.6 ± 0.2
178 EN300-7538678_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc(=O)n6c5COCC6 −9.6 ± 0.3
179 EN300-3710141_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]5(CCCO5)C#N −9.6 ± 0.2
180 EN300-97661_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc[nH]c(=O)c5 −9.6 ± 0.2
181 EN300-74089_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCOCC5)C#N −9.6 ± 0.2
182 EN300-217107_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC[C@H]5C(=O)N −9.6 ± 0.2
183 EN300-6743433_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccn6c(c5)cnn6 −9.5 ± 0.2
184 EN300-6488157_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc6n5cnn6 −9.5 ± 0.2
185 EN300-152337_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CCC(=O)NCC5 −9.5 ± 0.2
186 EN300-315836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −9.5 ± 0.2
187 EN300-315836_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5[nH]ccn5 −9.5 ± 0.2
188 EN300-148421_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCOC5)O −9.5 ± 0.2
189 EN300-7426383_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6c(ccn5)n[nH]n6 −9.5 ± 0.2
190 EN300-203293_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CNC(=O)O5 −9.5 ± 0.2
191 EN300-6479181_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H]6N5C(=O)CC6 −9.5 ± 0.3
192 EN300-225786_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)Nc5nnnn5C6CC6 −9.5 ± 0.2
193 EN300-42131_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c(=O)[nH]c6=O)nc5 −9.5 ± 0.2
194 EN300-383824_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c([nH]c5=O)CCOC6 −9.5 ± 0.3
195 EN300-53591_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CCC(CC5)NC(=O)N −9.5 ± 0.3
196 EN300-21009_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCO5 −9.5 ± 0.2
197 EN300-133058_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc6c(n5)n[nH]n6 −9.5 ± 0.2
198 EN300-59487_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC(=O)NC5 −9.5 ± 0.2
199 MAK-UNK-8be7dca9-6_1 molecule c1cc(c2cncc(c2c1)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl)C[NH3+] −9.5 ± 0.1
200 EN300-120820_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5cn[nH]c5=O −9.5 ± 0.2
Last updated 2020-12-08T20:22:29.488528+00:00
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