Microstates

Showing 101 through 200 of 1789
Rank Microstate SMILES ΔG / kcal M-1
101 EN300-3710141_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)[C@@]5(CCCO5)C#N −10.7 ± 0.3
102 EN300-205486_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5c[nH]ccc5=O −10.7 ± 0.3
103 EN300-861925_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@H](CO)F −10.7 ± 0.3
104 EN300-203293_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CNC(=O)O5 −10.7 ± 0.3
105 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.7 ± 0.2
106 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.7 ± 0.2
107 EN300-221518_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCCO −10.7 ± 0.2
108 DAR-DIA-5ff57136-14_1 molecule CC(C)(C#C)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.7 ± 0.2
109 EN300-171766_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCc5n[nH]c(=O)s5 −10.7 ± 0.3
110 EN300-248526_3_1 molecule c1ccc(cc1)[C@@](COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(C(=O)N)O −10.7 ± 0.6
111 EN300-1715993_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCn5ccnn5 −10.7 ± 0.2
112 EN300-51736_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COc5cccc(c5)C(=O)N −10.7 ± 0.3
113 VLA-UCB-34f3ed0c-4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5ccn[nH]5 −10.7 ± 0.2
114 EN300-6494158_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOC[C@H]5C[C@@H](CO5)CO −10.7 ± 0.5
115 EN300-1705754_3_1 molecule CC1(CS(=O)(=O)C1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.7 ± 0.3
116 EN300-1911992_3_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]([C@H]5CCOC5)O −10.6 ± 0.4
117 EN300-66432_3_1 molecule CN(C)S(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.6 ± 0.4
118 EN300-370967_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −10.6 ± 0.3
119 EN300-370967_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCN5CCOC5=O −10.6 ± 0.3
120 EN300-195924_3_2 molecule C[C@]1(CCC(=O)NC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.6 ± 0.3
121 DAR-DIA-5ff57136-11_1 molecule C=C=CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.6 ± 0.2
122 EN300-222969_3_2 molecule CN1C[C@H](OC1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.6 ± 0.3
123 EN300-7463171_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCS(=O)(=O)CCO −10.6 ± 0.6
124 EN300-173216_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C(=O)NCC5CC5 −10.6 ± 0.2
125 EN300-175186_3_2 molecule C[C@H](CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.6 ± 0.3
126 EN300-198633_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCCCNC5=O −10.6 ± 0.3
127 EN300-1248250_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)C(=O)N −10.6 ± 0.2
128 EN300-51028_1_1 molecule CC(C)S(=O)(=O)CC(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.6 ± 0.3
129 EN300-11934_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CN5CCCC5=O −10.6 ± 0.2
130 EN300-87334_3_1 molecule Cn1c(ncn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.6 ± 0.3
131 EN300-6238494_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@H]5COCCO5 −10.6 ± 0.3
132 JAG-UCB-706446eb-5_1 molecule COCCN([C@@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.6 ± 0.3
133 EN300-317082_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC5COC5 −10.6 ± 0.2
134 EN300-264301_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5CCC(=O)N5 −10.5 ± 0.2
135 EN300-264744_3_2 molecule CC(C)([C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)F)O −10.5 ± 0.3
136 EN300-343474_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCNC5=O −10.5 ± 0.3
137 EN300-143564_1_2 molecule CN\1C(=O)CS/C1=C/C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.5 ± 0.2
138 EN300-783124_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@@H]5CCOC5)F −10.5 ± 0.2
139 EN300-05512_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)N[C@@H]5CCS(=O)(=O)C5 −10.5 ± 0.4
140 EN300-110012_3_2 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)[NH+](C)C −10.5 ± 0.4
141 DAR-DIA-23e5a6a0-3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@H]3CCOc4c3cc(cc4O[C@H]5CC6([NH2+]5)COC6)Cl −10.5 ± 0.3
142 EN300-310888_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5nnc6n5CCOCC6 −10.5 ± 0.3
143 EN300-7444316_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5C[C@H]([C@@H](C5)C(=O)N)C(=O)N −10.5 ± 0.5
144 EN300-152337_2_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CNC(=O)[C@H]5CCC(=O)NCC5 −10.5 ± 0.4
145 EN300-6238494_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)[C@@H]5COCCO5 −10.5 ± 0.3
146 EN300-6482967_3_1 molecule CNS(=O)(=O)CCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.5 ± 0.3
147 EN300-195756_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CCC(=O)N5 −10.5 ± 0.2
148 EN300-171766_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCc5n[nH]c(=O)s5 −10.5 ± 0.2
149 EN300-244909_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO −10.5 ± 0.4
150 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −10.5 ± 0.2
151 EN300-1253178_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCC(=O)NC5CC5 −10.5 ± 0.2
152 EN300-181492_1_2 molecule C=C[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.5 ± 0.3
153 EN300-62574_2_1 molecule Cn1c(nnn1)COC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.5 ± 0.3
154 EN300-315963_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5cnoc5 −10.4 ± 0.2
155 EN300-1726073_3_1 molecule Cn1c(cnn1)C(C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)(F)F −10.4 ± 0.3
156 VLA-UCB-50c39ae8-6_1 molecule c1ccc2c(c1)cncc2N(C(=O)CCl)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.4 ± 0.2
157 EN300-59478_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CCCC(=O)N −10.4 ± 0.3
158 EN300-21258_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCO −10.4 ± 0.3
159 EN300-185378_3_2 molecule C[C@H](COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.2
160 EN300-1600786_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
161 EN300-1600786_1_1 molecule Cn1cc(nn1)CCO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.2
162 EN300-120282_3_1 molecule Cn1cc(nn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
163 JOH-SUS-a69c159d-7_1 molecule c1cc2c(cc1F)c(c(nc2F)F)NC(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.42 ± 0.07
164 EN300-115017_1_1 molecule CC(C)[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −10.4 ± 0.2
165 EN300-1708882_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5COC[C@H]5O −10.4 ± 0.3
166 EN300-107048_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC5(CC5)CO −10.4 ± 0.3
167 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −10.4 ± 0.4
168 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −10.4 ± 0.4
169 EN300-139167_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5COCCO5 −10.4 ± 0.4
170 EN300-17184_1_1 molecule C=CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
171 JAG-UCB-706446eb-5_2 molecule COCCN([C@H]1CCCOC1)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.4 ± 0.3
172 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
173 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
174 EN300-1659582_1_1 molecule C#CCNC(=O)CO[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.2
175 VLA-UCB-50c39ae8-9_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4O[C@H]5CC(=O)N5)Cl)CCC6CCCCC6 −10.4 ± 0.3
176 EN300-65839_3_2 molecule CC[C@H](C(=O)N)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.4 ± 0.3
177 EN300-4293814_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS(=O)(=O)CCO −10.4 ± 0.5
178 EN300-18249_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)N −10.4 ± 0.2
179 EN300-62857_3_1 molecule COCCS(=O)(=O)CCCOCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.5
180 DAR-DIA-5ff57136-18_1 molecule c1ccc2c(c1)cncc2N(C(=O)[C@@H]3CCOc4c3cc(cc4)Cl)N=C=S −10.3 ± 0.1
181 DAR-DIA-5ff57136-2_1 molecule C[C@H]1COc2ccc(cc2[C@@H]1C(=O)N(c3cncc4c3cccc4)C(=O)C=C)Cl −10.3 ± 0.2
182 EN300-1072972_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C[C@@H]5CCOC5=O −10.3 ± 0.3
183 VLA-UCB-50c39ae8-10_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCC5CCCCC5 −10.3 ± 0.3
184 MAK-UNK-83e0a0b4-2_1 molecule c1cc2c(cc1CN3CC[NH2+]CC3)cncc2N(CCNC4C[NH2+]C4)C(=O)[C@@H]5CCOc6c5cc(cc6)Cl −10.3 ± 0.5
185 EN300-120586_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC(=O)NCC(F)F −10.3 ± 0.3
186 EN300-364992_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CC[C@H]5CC[C@H](O5)C(=O)N −10.3 ± 0.4
187 EN300-216673_3_1 molecule Cn1c(cnn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
188 EN300-7463171_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)OCCS(=O)(=O)CCO −10.3 ± 0.5
189 EN300-10414_1_1 molecule C[C@@]1(CCS(=O)(=O)C1)NC(=O)CO[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
190 EN300-317555_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5=NCCO5 −10.3 ± 0.3
191 EN300-102347_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5(COC5)CO −10.3 ± 0.3
192 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
193 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
194 EN300-216063_3_1 molecule CN(C)C(=O)COCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.3
195 EN300-295905_1_4 molecule C[C@H]1CN(C[C@H](O1)C(=O)N)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.3 ± 0.3
196 EN300-153257_1_1 molecule CC(C)[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.3 ± 0.2
197 EN300-62574_4_1 molecule Cn1c(nnn1)COCCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −10.2 ± 0.4
198 EN300-55072_1_1 molecule C[C@@H](CO)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −10.2 ± 0.3
199 VLA-UCB-50c39ae8-1_1 molecule CC(=O)N(c1cncc2c1cccc2)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −10.2 ± 0.1
200 EN300-6487407_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@@H]5[C@H](CC(=O)O5)O −10.2 ± 0.4
Last updated 2021-02-08T01:55:35.061410+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty