Microstates

Showing 101 through 200 of 11295
Rank Microstate SMILES ΔG / kcal M-1
101 EN300-299215_1_1 molecule C[C@H]1[C@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.9 ± 0.3
102 EN300-245264_3_2 molecule CC[C@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −12.9 ± 0.3
103 EN300-31998_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c[nH]nn5 −12.9 ± 0.2
104 EN300-176023_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c6n(nn5)CCNC6=O −12.9 ± 0.3
105 EN300-222120_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CCC[C@@](C5)(c6cnn[nH]6)O −12.9 ± 0.3
106 EN300-13890_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CS[C@@H]5CCS(=O)(=O)C5 −12.9 ± 0.3
107 EN300-140837_1_1 molecule Cn1c(c(cn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C#N −12.9 ± 0.3
108 EN300-6738732_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56COC[C@H]5C6(F)F −12.9 ± 0.2
109 EN300-322100_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccnc6n5ncc6 −12.9 ± 0.2
110 EN300-203293_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOC[C@H]5CNC(=O)O5 −12.9 ± 0.3
111 EN300-191904_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CCn5cnnn5 −12.9 ± 0.2
112 EN300-60049_1_4 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)NC[C@H]5CN6CCC[C@H]6CO5 −12.8 ± 0.4
113 EN300-12587_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.4
114 EN300-250593_3_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C[C@H]5CC(=O)N5 −12.8 ± 0.2
115 EN300-746830_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H]6CCOC[C@H]6CO5 −12.8 ± 0.2
116 EN300-261859_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5c(=O)[nH]sn5 −12.8 ± 0.2
117 EN300-304695_1_1 molecule CN1CCCC[C@@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.3
118 EN300-761220_1_1 molecule CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.3
119 EN300-244909_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)C5(CCOCC5)CO −12.8 ± 0.3
120 EN300-1273016_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCc6n5ncn6 −12.8 ± 0.3
121 EN300-66976_1_1 molecule Cn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.2
122 EN300-1719160_1_1 molecule CCn1cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.2
123 EN300-1703711_1_1 molecule COc1c(cnc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)F −12.8 ± 0.3
124 EN300-173006_3_2 molecule C[C@H](c1nnnn1C)OCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.3
125 EN300-315792_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)COCC(F)F −12.8 ± 0.2
126 EN300-200426_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6n(n5)CCNC6=O −12.8 ± 0.2
127 EN300-373476_1_1 molecule C[C@@]1(CCCS1(=O)=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.4
128 EN300-261596_1_1 molecule C=CCn1cc(nn1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.3
129 EN300-160277_1_1 molecule COCCn1ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.8 ± 0.2
130 EN300-24297_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5csnn5 −12.7 ± 0.2
131 EN300-141695_1_1 molecule CN1CC[C@@H](C1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.4
132 EN300-217107_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@@H]5C(=O)N −12.7 ± 0.3
133 EN300-42591_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)CNC(=O)NC5CC5 −12.7 ± 0.4
134 EN300-6764836_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC6[C@@H]([C@@H](C5O6)O)O −12.7 ± 0.3
135 EN300-298552_1_4 molecule CO[C@H]([C@H]1CCOC1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.3
136 EN300-198515_3_1 molecule C[C@@H](C(=O)NCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −12.7 ± 0.3
137 EN300-254854_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5C[C@H]5N(=O)=O −12.7 ± 0.2
138 EN300-1073320_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H](C5(CCC5)O)O −12.7 ± 0.3
139 EN300-304627_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@H](CCO5)Cn6cccn6 −12.7 ± 0.3
140 EN300-6735902_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5[C@@H]6CC[C@@H]6C(=O)N5 −12.7 ± 0.3
141 EN300-1715993_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5ccnn5 −12.7 ± 0.3
142 EN300-7431629_1_2 molecule Cc1nnc2n1CC[C@]2(C)C(=O)N[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.7 ± 0.4
143 EN300-6474341_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCn6cnnc6C5 −12.7 ± 0.3
144 EN300-364679_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCCn5cnnn5 −12.7 ± 0.3
145 EN300-783124_1_3 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]([C@H]5CCOC5)F −12.7 ± 0.3
146 EN300-116234_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCO5 −12.7 ± 0.2
147 EN300-20496_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCO[C@@H]5CCOC5=O −12.7 ± 0.2
148 EN300-42270_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnsn5 −12.7 ± 0.2
149 EN300-7352736_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5C[C@@H]([C@@H](CO5)O)O −12.7 ± 0.3
150 EN300-120119_1_1 molecule CN([C@@H]1CCNC1=O)C(=O)C[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.3
151 EN300-99391_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)CO[C@H]5CCOC5 −12.7 ± 0.2
152 EN300-211777_1_1 molecule CC(=O)N1CCC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.3
153 DAR-DIA-5ff57136-10_1 molecule c1ccc2c(c1)cncc2N(C#CC#N)C(=O)[C@@H]3CCOc4c3cc(cc4)Cl −12.7 ± 0.1
154 EN300-7463171_4_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCOCCS(=O)(=O)CCO −12.7 ± 0.8
155 EN300-23417_1_1 molecule COCCn1c(=O)ccc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.4
156 EN300-222969_3_2 molecule CN1C[C@H](OC1=O)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.7 ± 0.3
157 EN300-124555_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cc6c(nc5)n[nH]n6 −12.7 ± 0.2
158 EN300-142240_1_1 molecule Cn1c(cc(n1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)OC −12.7 ± 0.3
159 EN300-198515_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnc(n5)C#N −12.7 ± 0.3
160 EN300-151423_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)CC5(CCOCC5)O −12.6 ± 0.2
161 EN300-300217_1_3 molecule C/C=C\[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −12.6 ± 0.3
162 EN300-1244816_3_1 molecule Cc1nnnn1CC(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.3
163 EN300-862094_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CC(=O)N5CC[C@@H]5C(=O)N −12.6 ± 0.3
164 EN300-1644723_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5[C@@H]6[C@H]5COCC6 −12.6 ± 0.2
165 EN300-6488240_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cc5nncs5 −12.6 ± 0.2
166 EN300-1425677_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@]5(CCCO5)CO −12.6 ± 0.3
167 EN300-56202_1_1 molecule CC(=O)N1CSC[C@@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.4
168 EN300-123712_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cccc(n5)n6cncn6 −12.6 ± 0.3
169 EN300-100467_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5ccnn5 −12.6 ± 0.3
170 EN300-103144_4_1 molecule CSCC[C@@H](C(=O)NCCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)O −12.6 ± 0.3
171 EN300-243828_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5cnncc5O −12.6 ± 0.3
172 EN300-1248250_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5CN(C5)C(=O)N −12.6 ± 0.3
173 EN300-651307_1_1 molecule CC[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cncn5 −12.6 ± 0.3
174 EN300-1262608_1_1 molecule CCNC(=O)C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.6 ± 0.2
175 EN300-36158_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5COCCO5 −12.6 ± 0.3
176 EN300-20980_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCNC(=O)Cn5cnnn5 −12.6 ± 0.2
177 EN300-170463_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCOC5 −12.6 ± 0.3
178 EN300-100467_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)Cn5ccnn5 −12.6 ± 0.2
179 EN300-175186_3_2 molecule C[C@H](CO)OCC[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4 −12.6 ± 0.3
180 EN300-191915_1_1 molecule C[C@@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)n5cnnn5 −12.6 ± 0.3
181 EN300-341337_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@]56CCO[C@@H]5CCOC6 −12.6 ± 0.3
182 EN300-6505003_1_1 molecule C[C@@H]1CC[C@@H](C(=O)N1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.3
183 EN300-95698_1_3 molecule C[C@@H]1CC(=O)NC[C@H]1C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.2
184 EN300-1072199_3_1 molecule CO[C@@]1(CCCOC1)C(=O)NCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.5
185 EN300-685077_1_1 molecule COCCn1cccc(c1=O)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.3
186 EN300-315238_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CC[C@H](O5)C(=O)N −12.6 ± 0.3
187 EN300-90225_3_1 molecule Cn1nc(nn1)COCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.2
188 EN300-6744028_1_5 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@@H]5CC6CC5[C@@H]([C@H]6O)O −12.6 ± 0.3
189 EN300-1600786_3_1 molecule Cn1cc(nn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.3
190 EN300-1600786_3_1 molecule Cn1cc(nn1)CCOCC[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.6 ± 0.3
191 EN300-6499531_1_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)[C@H]5CCCCCS5(=O)=O −12.5 ± 0.4
192 FRA-DIA-13af2da5-2_1 molecule CN(C)c1ccc(cc1)[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5 −12.5 ± 0.2
193 EN300-1601684_1_2 molecule CC1([C@H](OCCO1)C(=O)N[C@]2(CCOc3c2cc(cc3)Cl)C(=O)Nc4cncc5c4cccc5)C −12.5 ± 0.3
194 EN300-102901_1_1 molecule CCC[C@H](C(=O)N[C@]1(CCOc2c1cc(cc2)Cl)C(=O)Nc3cncc4c3cccc4)NC(=O)N −12.5 ± 0.4
195 EN300-7431629_3_1 molecule Cc1nnc2n1CC[C@@]2(C)C(=O)NCC[C@]3(CCOc4c3cc(cc4)Cl)C(=O)Nc5cncc6c5cccc6 −12.5 ± 0.3
196 EN300-702756_4_2 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCCNC(=O)[C@H]5CS(=O)(=O)CC(=O)N5 −12.5 ± 0.2
197 EN300-640698_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ccc([nH]c5=O)C#N −12.5 ± 0.3
198 EN300-102347_3_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)CCOCC5(COC5)CO −12.5 ± 0.2
199 EN300-149296_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)c5ncc(cn5)F −12.5 ± 0.2
200 EN300-122340_1_1 molecule c1ccc2c(c1)cncc2NC(=O)[C@@]3(CCOc4c3cc(cc4)Cl)NC(=O)C5(CCSCC5)O −12.5 ± 0.4
Last updated 2021-02-11T07:27:27.453800+00:00
Generated by fah-xchem version 0.1.0+78.gc30b862.dirty