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+ CCOC=CC=C(NC(=O)CC(C)S(=O)(=O)C1=CC=C(Cl)C=C1C)C
129
+ N[C@H1]C[C@H1]1CN(CC2=CC=C(C3=C(F)C=C(F)C=C3F)C4=C2)C(=O)N14
130
+ C1CC2CCCCN2CCNC(=O)CC=NN1C=CC=C(NC3=NC=CC(N4C(=O)OC[C@@H1]4C(C)C)=N3)C(F)=C
131
+ CCOC(=O)C=C(C)N=CC=CC(C)=C(N1CCN(CC2=CC=C(S(C)(=O)=O)C=C2)CC1C)C=O
132
+ CCO/C(C)=C1/C(=O)N(C(C)=O)C(C2=CC=C(OC3=CC=C(Cl)C=C3)C=C2)CC1C4=CC=C(Cl)C=C4
133
+ CN(C(=O)C1=CN=CN=C1)[C@H1]2CCOC2
134
+ C=C1CN(CC=C)C2=C1C(=O)C3=CC=CC=C3C2=O
135
+ O=C(OCCC1(C)C(CC(O)C2OC(OCC)C(O)C(O)C12C)C3CCC(C(=C)C)C3)CC
136
+ C1COC(=O)NC=CC=C(OCC)C1NC(=O)COC2=CC=C3C(=C2)CNCC3=C
137
+ O=COCCC12C(C)C(C(=O)C1C(O)CC3C(O)(C)C(C)CCC23C)(C)CC
138
+ CCCCCCCC(C)(CC(=O)[O-1])C[N+1](C)(C)C
139
+ COC(=O)C1=CC=C(OC(=O)C2=CC=CC(C3=CC=CC(CN4CCC(C(=O)O)CC4)=C3)=C2)C(Br)=C1
140
+ COC1=CC(NC(=O)[C@H1]2C[C@@H1]2C)=CC=C1C3=C(F)C=C(C4=CC=C(NC(C)=O)C=C4)C=C3F
141
+ CN(C/C=C/C1=CC=C(C=2C=CSC=2)C=C1)C3=CC=CC=C3
142
+ COC=CC(C1=CC=C(C2=CC=C(F)C=C2Cl)C(Cl)=C1)F
143
+ CCN(CC)CC1=CC(S(=O)(=O)N(C)C)=CC(C(F)(F)F)=C1
144
+ COC1=CC=C2C(=C1)CN(C(=O)C3=CC=C(C)S3)CC2C4=CC=C(SC)C=C4
145
+ O=C(O)C1=CC(C2=CC=C(OC3=CC=CC=C3)C=C2)=CC=C1O
146
+ O=P(O)(O)O[C@@H1]1CC[C@H1](NC2=NC(NC3=CC=CC=C3)=NC4=CC=CC=C24)[C@H1]1O
147
+ O=COCCOC(=O)CC=C1CC=C(OCOC=C2C(=O)OCC(OC(=O)C=3C=CC=CC=3C)OC2OC4OC(C)C(OC5OC(C)C(O)C(O)C5O)C(O)C4OC(=O)C=6C(O)=CC(O)=CC=6[OH1+1]C)C=C1C
148
+ C1C(=O)NC=CC=CC1C(=O)C2=CC=C3C(=C2)C(C)=C(C)N3CC(=O)OC
149
+ O=COC(COCCC(OC(=O)C)CCCC)(O)C(O1)CCCC23CC(C(=C)C2O)CCC13C
150
+ C1OC=CC=C1OCC2=NOC3=NC(C(F)(F)F)=NC=C23
151
+ CN1C(C2=CC=C(F)C=C2)=CN=C1N3CC4CC3CC4
152
+ COC=CC1=C(C2=CNC(=N2)SC=C3C(NC(=O)CCN4CCOCC4)=CC=C3)C=C1
153
+ COC1=CC(C(=O)OCC(=O)NC(=O)C2=CC=CC=C2F)=CC(OC)=C1OC
154
+ CC(=O)NC1=CC=CC(C(=O)OC[C@H1]2CCCN2S(C)(=O)=O)=C1
155
+ C1OC(=O)C=C2C=C(CNCCCC1(NCCC3=CC=C(OC)C(OC)=C3C)OC)C2
156
+ O=COCCC1(C2)C(OC(=O)C)C(=O)C(C(O)OC2(O)C=C(COC(=O)C)C(C)C1OC=O)CC
157
+ COC1=CC=CC=C1NC(=O)N2CC(F)(F)C2
158
+ O=C1C=CC=CN1CCCNC(=O)C=C2CC(=CS2)CC=CC=3OCCOC=3C
159
+ CCCCCCCCCCCC1CS[C@H1]O[C@H1][C@@H1](O)[C@H1]1O
160
+ N[C@H1]1CC[C@H1](NC2=CC(N3C=NC=C3CN4CCN(CC5=CC=CC=C5)CC4)=CC=C2C(F)F)CC1
161
+ C1=CN=C2N=C(NCCC3=CC=C(F)C=C3)SC2=C1
162
+ OC1=CC(OC)=C(OC)C(O)=C1C
163
+ COC1=CC=CC=C1CN(CC(O)C2NC(=O)N(C3=CC=C(OC)C=C3)C2=O)S(C)(=O)=O
164
+ O=C(OCCC1C2(C)C(CCC3(C)C2CC4C5CC(C)(C)CCC5(C)CCC43)CC1)CCCCCCCC
165
+ O=COCC1OC=2C=3OCOC=3C=CC=2C(=O)C(C)(CC=C(C)C)CC1C(=O)OCC
166
+ CC1=CC=C(OCCN(C)CC2=CN=C3[NH1]C=CC3=C2C)C=C1
167
+ CCN(CC)CC1=C(F)C(C2=CC=CC=C2)=NC(N(C)C)=N1
168
+ C1C(=O)NC=CC=CC1OC2=C(C(C)(C)C)C=C(C3=CC=CC=C3)C=C2C(N)=O
169
+ CCCCCN(CC(=O)NC1=CC=CC=C1C)C(=O)CCC(=O)N(CCC2=CC=C(OC)C(OC)=C2)C
170
+ N=1OC(=CC=1CC2(NCC3=NN=N[NH1]3)COC2)C4=CC=C(CC5=NOC(=N5)C6=CC=CC=C6)C(F)=C4
171
+ CNC1[C@@H1]OC[C@@H1]1C2=CC=C(C(F)(F)F)C=C2
172
+ COC=CC=C(CC(=O)NC1=CC=CC=C1C(=O)C=2[NH1]C3=CC=CC=C3C=2CCC(=O)NC)C
173
+ CC1=CC=C(C(O)C2=NC(C3=CC=C(C#N)C=C3)=C[NH1]2)C=C1
174
+ COC1=CC=C(C2=N[NH1]C(=O)O2)C(O)=C1OCC(=O)O
175
+ COC1=CC=C(S(=O)(=O)N(CC(=O)NC2CCCC2)C3=CC=C(F)C=C3F)C=C1
176
+ CC1=CC=CC=C1C(=O)N2CCC(N3C=C(C(=O)NCC4=CC=C(Cl)C=C4)N=N3)CC2
177
+ O=CC1=C(NC2C(F)=CC=3C=CC=CC=32)CC(C)C14OC=5C(Cl)=C(OC)C=C(OC)C=5C4=O
178
+ CN1C=NN=C1SCC(=O)NC2CCCC(OC(=O)C3=CC=CO3)C2
179
+ CC=C1C=C(C(C)N[C@H1]2CC[C@H1](NC3=NC4=CC=CC=C4S3)CC2)C(F)=C1
180
+ COC1=CC=C(C=C1C=NC(C)=C(/C=C/C2=CC=C(OC)C=C2)[NH1])CO
181
+ COC=C1C=CCC(CC2CCN(CCC3=CC=C(F)C=C3)CC2)=CN(C)C(=O)C1
182
+ CC(C)CCN(C(=O)C1=CC=C(COC2=CC=CC=C2)C=C1)C3=NC4=C(C(=O)N(C)C(=O)N4C)N3CCCC
183
+ C1OC=CC=C1C2CC(C3=CC=CO3)=NN2C(=O)C4=CC(C)=C(C)S4C=C
184
+ C1C=C2C1(NC(=O)CNC(=O)COC3=CC=C(S(=O)(=O)N4CCCCC4)C=C3)NO2
185
+ COC1=CC=CC(C=2OC=NC=2C3=CC(C4=CC=C(F)C=C4)=N[NH1]3)=C1
186
+ CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O[C@H1](CO[C@H1](N)C[C@@H1](O)[C@H1](O)CO[C@@H1]1O[C@H1](CO)[C@@H1](O)[C@H1](O)[C@H1]1NC)CC=O
187
+ COC=CC=CC1=CC=C2N=CN(C3=CC=C(C(C)(C)C#N)C=C3Cl)C2=C1C=C
188
+ OC(C12CNC(C3=CC=C(C(F)(F)F)C=C3)=N1)CN(CC4CC4)CC2
189
+ COC=CC1=C(CN2C(C3=CC=C(OC)C=C3)=CC(=O)C=4[NH1]C(C5=CC=CS5)=NC=42)C=C1
190
+ O=C(O)C1=CC=CC(=C12)NC(=O)CC(OC)=CC(O)=C(C(=O)C(C(=O)OC)CC3=C(OC)C=C(O)C=C3CC2)CC
191
+ COC1=CC=CC2=C1C3=CC=C(N)C=C3C(=O)N2C4=CC=CC=C4
192
+ COC(=O)C1=CC=C(NC(=O)CCC2=CC=CC(OC)=C2)C=C1
193
+ CC(C)(C)OC(=O)N[C@H1](C(=O)NC(C1=CC=CC=C1)C2=CC=C(C(F)(F)F)C=C2C)CC(C3CCCCC3)C
194
+ COC1=CC=CC=C1OCCN2CCC(N(CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(F)C=C4)CC2
195
+ COC1=CC=CC(NC(=O)C2=CC=CC(O)=C2C(=O)O)=C1
196
+ CCCCCCCCCCCCCCCC(=O)NCCCC(N)CC(=O)O
197
+ C1CCCC(=O)N[C@H1]C(=O)O[C@H1]1C(=O)NC(CC(N)=O)C(N)=O
198
+ CCCCCCCCCCCCCCCC(=O)OC[C@H1]1O[C@@H1](N2C=NC3=C(N)N=C(OC)N=C32)[C@H1](O)[C@@H1]1O
199
+ COC(=O)C1=CC=C(/C=C/C2=NC3=CC=CC=C3C(=O)[NH1]2)C=C1
200
+ C1C(C)CC(=O)N(CC2=CC=C(C3=CC=CC=C3)C(Cl)=C2)C1
201
+ CCCCCCCCCC[N+1]=C1C=C(C(=O)NCCCCCCCCCN2C=CC(=CCNCN)OC2)C=C1
202
+ CC1OC=CC=C(N(C(=O)C=2SN=NC=2C)SS(=O)(=O)C3=CC=CC4=C(N(C)C)C=CC=C34)C1
203
+ CC1=CC=C(C=C2C(/C=N/C3=N[NH1]C=NC=NC(N)=C3)=CC=N2)O1
204
+ CC(C)(C)NC(=O)CCC1=CC=CC=C1
205
+ CCOC=CC1=C(C(=O)NCCCNC2CC(C(=O)N[C@H1](CC3=CC=C(F)C=C3)C(=O)NCCC4=CC=C(OC)C=C4)C)C2C=C1
206
+ COC1=CC=C(NC(=O)C=2C=C(C3=CC=C(C#N)C=C3)ON=2)C=C1
207
+ CC1=CC=CC(NC(=O)C2CCN(C(=O)C3=CC=CO3)CC2)=C1
208
+ CCOC1=CC=C(C2=CC(C)=C(NC(=O)C3=CC=C(CC#N)C=C3)C(C)=C2)C=C1
209
+ CCCCCC(=O)NC1=NC(C2=CC=CO2)=NN1C
210
+ CCOC(=O)/C(F)=C(/[C@H1])NC(=O)[C@H1]([C@@H1](C)CC)OC(=O)[C@H1]([C@@H1](O)CC(N)=O)NC(=O)[C@H1](CC(C)C)NC(=O)[C@@H1](C)[C@@H1](O)[C@@H1](C)C[C@H1](C)/C=C/C=CC
211
+ O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COP(=O)(O)OCC(OC1OC(CO)C(O)C(O)C1OC2OC(CO)C(O)C(O)C2OCO)COCOCCCCCCCCCCCCCCCC)CCCC
212
+ CCO/C(O)=C\C(C)=NC=C(C(=O)N(C)CC1=CC(F)=C(F)C=C1)F
213
+ CC1(C2=CC(Cl)=CC(Cl)=C2)CCC(=O)N1CC3=CC=C(Cl)C=C3
214
+ N/C(=N\O)C1=CC2=NC=C(NC3CCNCC3)N=C2S1
215
+ O=C1C=C(OCC2=CC=C(F)C=C2)C(C3=CC=C(Br)C=C3)=NN1C
216
+ CN1C(CNC2CCCCC2)=NC3=CC=CN=C31
217
+ COC1=CC=C(C(=O)NCC2=CC=CN=C2C(F)(F)F)C=C1OC
218
+ CC(NC(=O)[C@H1](C)N)C(=O)N[C@@H1](CC1=C[NH1]C=N1)C(=O)O
219
+ C1OC=CC=CC1CN(C(=O)C2=CC=NN2CC3=CC=CC=C3)C4CCCCC4=C
220
+ CC1=CC=C(S(=O)(=O)N2CCN(C(=O)C3CCCO3)CC2)C(C)=C1C
221
+ COC=CC1=C(/C=C/C(=O)C2=CC3=CC=C(OC)C=C3N=C2)C=CC=C1OC(=O)N(C)C
222
+ CC(C)COC1=CC=CC(N2CCCCC2)=C1
223
+ COC1=CC=C(C=2N=C3SC=CN3C=2/C=N/NC4=NC(C5=CC=C(Cl)C(C)=C5)=CS4)C=C1
224
+ C1CO[C@H1]C(=O)NC(C(=O)OC(C)(C)C)=C1C(=O)N/N=C/C=2C=NNC=2N=C(C3=CC=CC=C3)C4=CC=CC=C4
225
+ O=C(OCC1OC(OC2=CC(O)=C3C(=O)C=C(OC3=C2)C=CC(O)=C(O)C(O)=C)C(O)C(O)C1O)C=CC4=CC=C(O)C=C4
226
+ OC(CC1N(CC2=CC=CC=C2)CC(O)C1C3)CCC(C4=CC=CC=C4)CC3
227
+ CC1=CC=CC=C1C2=CC=C(C(=O)NCC3=CC=CC=C3Cl)O2
228
+ CC(C)C1=CC=C(S(=O)(=O)NC=C(CCCC(=O)O)C2=CC=CC([N+1](=O)[O-1])=C2C)OC=C1
229
+ O=C(O)CCC1CN(C(=O)C(N)C(C)CC)CCC1
230
+ CC(C)CC=1N=C(C2=CC=C(F)C(F)=C2)SC=1C(=O)NCCCCCCNC(=O)C3=CC(Br)=C[NH1]3
231
+ C1C(C)CC(=O)C=C1CC2[C@@](C)[C@@H1](CCC)C2(C)CO
232
+ C=CCOC(=O)C(C#N)=CC(=CC1=C2C=C(Cl)C=C1)C(=O)C(=O)C(C#N)=C(N3CCOCC3)C2C
233
+ C1=CC1=CC=CC2=C(OC)C=C(OC)C(OC)=C2
234
+ CC(=O)N[C@@H1](CSCCCNC(=O)/C=C/C1=CC=C(C2=CC=CC=C2)C=C1)C(=O)N[C@@H1](CC(=O)O)C(N)=O
235
+ C=CC/C=C1/C/C=C/CCCCCCCCCCC(=O)/C=C/CC1=O
236
+ O=C1C=C(OC=2C=C(OC)C=C(O)C1=2)C=CC=CC
237
+ COC1=CC=CC(OCC2=NN=C(SCC(=O)NC3CC3)O2)=C1
238
+ CN(C1=CC=C(C2=CC=C(N3CCN(C)CC3)N=N2)C=C1)C(=O)C4=CC=CC(C(=O)N(C5)CCS(=O)(=O)CC5)=C4
239
+ COC(=O)C=C1C=CC(OC=C2C=C(NC(=O)NCC(C)=NN(C)CCC)CC=C2)=C1
240
+ CCOC(=O)/C=C/C(=O)/C=C/C1=CC=C(F)C=C1
241
+ COC=C1C=C(C=C2C=CC(CN3CCC4=CC=CC=C4C3)=C2)C=C1S(=O)(=O)N(C)C
242
+ CCC1N(C(=O)C2=CC=CN=C2NC3=CC=CC(C(F)(F)F)=C3)CC(C)O1
243
+ CC1=CC=CC=C1C(=O)N(C)C
244
+ OC(C1=CC=C(C(F)(F)F)S1)C(F)(F)F
245
+ CCOC(=O)[C@H1][C@H1]1COC2=CC=C(C)C=C2[C@H1]1N3C(=O)C4=CC=CC=C4S3(=O)=O
246
+ O=CC1=C(C)C(C(=C)C)CC(C=C)(C)C1CC=C(C)C2CC=CC(OO)(C)C2
247
+ O=CN1C(C(=O)N(CCO2)CCCC3=CC(OC)=CC=C3C2)CC1(C)C
248
+ O=COC1C(OC(C)C1C(O)C(O)OC2OC(CO)C(O)C(O)C2OCC)CC(C)CC
249
+ CC(C)C1=CC(C(C)C)=C(OC2=CC=C(/C=N/CC3=CC=C(O)C(O)=C3)C=C2)C(O)=C1
250
+ COC=C1C=C(C(=O)NC2=CC=CC(NC3=NC4=CC=CC=C4C(=O)[NH1]3)=C2)C=C1OC
251
+ O=C(OC=CC=1OC(=CC(=O)C=1C(C2=COC3=CC=C(OC)C=C3C2)=O)CC4=CC=C)C=C4Cl
252
+ COC(=O)C1=CC(Cl)=CC(Cl)=C1OC(=O)C2=CC=CC=C2
253
+ C1=CC(C2=CC=CN=C2)=NC=C1C3=CC=CC=C3CCC
254
+ COC=CC=C(C1=CC(=NO1)C(=O)C2=CC(C3=CC=C(Cl)C(Cl)=C3)=CC=C2)F
255
+ N[C@H1](CO)C(=O)NC1=CC(F)=CC=C1SC2=CC=CC=C2
256
+ CCCCCCC(=O)C1=C(OCC)C(=O)C=C(CCCC)C=C1O
257
+ C1COC=CC=C1[C@H1](NCC(C)(C)C2=CC=C(F)C=C2F)C=O
258
+ CC(C)C(NC(=O)NC[C@H1]1CC[C@H1](C(F)(F)F)CC1)C(=O)NC2=CC=CC=N2
259
+ CC(=O)N1N=C(CC2=CC=CC=C2)CC1C3=CC=CO3
260
+ CC1=CC=C(C(=O)NC(CO)C(O)C2=CC=CC([N+1](=O)[O-1])=C2C)CC=C1
261
+ O=C(O1)C2CC3=C([NH1]C4=CC=CC=C34)C(C5=CCCCC5)N2C1=O
262
+ CCOC(=O)NC1=CC(C(=O)O)=NC=N1
263
+ C=NC[C@H1]NC(=O)CN=C(COC1=CC=C(F)C(C(N)=O)=C1)NCCOC2=CC=CC=C2C(F)F
264
+ CS(=O)(=O)NC1C[C@H1](NC2=NC=C(C(F)(F)F)C(N3C4CCC3COC4)=N2)C1
265
+ O=C(O)C=CC=CCNC=NC(NCCCCC1=CC=CC=C1C)C(C2=CC=CC(C3CC3)=C2)=N
266
+ CC1=CC=C(/C=C(/C#N)C(=O)NC2=CC=C(C#N)C=C2)C=C1
267
+ COC1=CC=C(C(C)=O)C=C1CN2CCO[C@H1](CC3=CC=C(F)C=C3)[C@@H1]2CC4=CC=CC=C4
268
+ C1C=CC=CC1C(=O)NC2=NC3=CC=CN=C3N2CC4=CC=CC(C)=C4C
269
+ COC1=CC=C(CN2CCC(NC(=O)C3=CC=C(F)C=C3)CC2)C=C1OC
270
+ O=C1C2=CC=CC=C2C3=C1C4=CC=C(OC)C(OC)=C4C(=O)N3CC(=O)NC5=CC=C(OC)C(OC)=C5
271
+ CC(C)CCN1C(NC(=O)C2=CC=C(C3=CC=CC(O)=C3)S2)=NC4=CC=CC=C41
272
+ CCCCCNC(=O)NC1=C(CC)C=C(C2=NOC(C(C)C)=N2)C(C)=N1
273
+ O=C(O)C1=CC=CC=C1NS(=O)(=O)C2=CC=CC=C2
274
+ COC=CC(/C=C/C(=O)/C=C/C=C/C=C/C1=CC=CC=C1C)C=COC(=O)C2CCCCC2
275
+ COC=CC=C(CN(CC1=CC=C(NS(=O)(=O)F)C=C1)C2=NC=C(C(C)(C)C)C)N2C=C
276
+ O=C(O)CCCC1=CC=CC=C1
277
+ CN(C[C@@H1](O)CCNC1=NC=C2C(C3=C(C#N)C=NN3C4CCCC4)=NN(C)C2=N1)S(=O)(=O)C5=CC=CC=C5
278
+ COC1=CC(C(=O)NC)=CC(C2=CC=NC=C2)=N1
279
+ CCCN(CCC)C(=O)C1=CC(NC(=O)C2=CC=CN=C2)=CC=C1OC3=CC=CC=C3F
280
+ CCCCCCCCCCCCCCCC(=O)N[C@H1](C(=O)N[C@H1](CC1=CC=C(O)C=C1)C(=O)NCC2=CC=CC=C2F)CCC
281
+ O=C1C2=C(OC=3C=C4OC(CC4=C(OC)C1=3)CC(OC)=C(OC)C2)C=5C=CC=CC=5
282
+ C1C=CC=CC21NC3=C(CN(S(C)(=O)=O)C3N)N2C
283
+ CC(C)CCC1=CC(C(=O)N2CCC[C@H1]2C(=O)NC3=CC=C(N4CCN(C)CC4)C=C3)=NO1
284
+ CCC1C23CC4C(C1)CC(C2)C(C3)(C5CCCCC5)CC4
285
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286
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288
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340
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349
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350
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356
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357
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358
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366
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375
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378
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380
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387
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388
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392
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399
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401
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408
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410
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421
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426
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428
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429
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430
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431
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434
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437
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438
+ C1C=CC=C(C2=CC=CC=C2CN3CC4C(CC3)C=5C(=NN(C)C=5C(F)(F)F)CC4N)C1
439
+ CCOC(=O)CC=C1C=C([C@@H1]2[C@@H1]3C(=O)N(C4CC4)C(=O)[C@H1]3C(=O)N2C5=CC=CC=C5)C=C1
440
+ COC1=CC=CC=C1NC(=O)[C@H1]2O[C@@H1](C=3C=COC=3)N[C@H1]2C4=CC=C(Cl)C=C4
441
+ COC(=O)C=C(C1=CC=CC=C1)C2=CC(Cl)=CC=C2OC=O
442
+ C1C=CC=C(NC(=O)COC(=O)/C=C/C2=CC=CS2C)C1
443
+ CC1=CC=CC(C)=C1N(C)C(=O)C2CCN(C(=O)N(C)CCC)CC2
444
+ C1OC=CC=C1NC(=O)CSC=NC2=CC(NC(=O)C3=CC=CC=C3)=CC=C2C(=O)[NH1]
445
+ COC1=CC(C(=O)NC2=CC=C(NC(C)=O)C=C2)=CC=C1C(=O)NC3CCN(CC4=CC=C(C#N)C=C4)CC3
446
+ O=C1C=COC(O)=C1C(C2=CC=CC(NS(=O)(=O)C3=CC=C(OC)C=C3)=C2)CC
447
+ C1(=C(C=C2C(=C1)OC(=C(C2=O)O)C3=CC=C(C(=C3)OO)CC4=C(C)C(C(=C4)O)O)OO[C@H1]5[C@@H1][C@H1]([C@H1]([C@@H1](O5)CO)O)O)O
448
+ CC(=O)NC(C1=CC=CS1)CCN(CCCCC2=CC(C(C)C)=NN2C)CCC
449
+ COC1=CC(/C=C\C2=CC(O)=C(O)C(O)=C2N)=CC=C1OC[C@@H1](O)[C@H1](O)[C@H1]CO
450
+ C1OC=CC=C(NC(=O)C(=O)C2=C[NH1]C3=CC=C(OC)C=C23)C1OC
451
+ O=C1C=CC=CN1CCC2N(C(=O)CN3N=C(C=C3C)CC(C)(C)C)CC2
452
+ CC=C1C=CC=2N=C(O)N(CC(=O)N3CCCC3)C(=O)C1=2
453
+ CN(C/C=C/C1=CC=C(C2CCCCC2)C=C1)C3=NC4=C(C=NN4C5=CC=C(F)C=C5)C(=O)[NH1]3
454
+ C1COC=CC=C1S(=O)(=O)NC=C(C2=CC=C(OCC(=O)O)C=C2)C=N
455
+ COC1=CC=C(/C=C/C(=O)N/N=C/C2=CC=C(O)C(O)=C2)C(OC)=C1
456
+ C1OC=CC=C(CN2C(CN3CCN(C(C)C)CC3)=NC(C(F)(F)F)=C2C#N)C1
457
+ CCN(CC)C1=CC=C(C(F)(F)F)C=C1NC(=O)C=CC2=C(N3CCN(C)CC3)C(NC4=NC=CC(C5=CC=CN=C5)=N4)=C2
458
+ COC1=CC=C(CCN(C(=O)COC2=CC=C(Cl)C=C2)CC)C=C1OC
459
+ CC(=N)NC1=CC=CC=C1
460
+ CCCN(CC1CC1)C2=CC=C(F)C=C2NC3=NC=NC4=CN=C(N5CCCC5)N=C34
461
+ C=CCOC1=C(Br)C=C(C(=O)O)C=C1S(=O)(=O)O
462
+ COC1=CC=CC=C1C(=O)NCC(CC2=CC=C(O)C=C2)N3CCCCC3
463
+ CCOC(=O)C=1[NH1]C2=CC(Cl)=CC=C2C=1C(NC3=CC=CC(Cl)=C3)=N
464
+ CC[C@@]1(O)O[C@H1](COCC(=O)O)[C@@H1]1[C@@H1]C=C[C@H1]2OC(=O)C=CC2
465
+ C=CCSC(=O)NC1=CC=C(C(=O)NC2=CC=C(NC(=O)CCCCCC(=O)O)C=C2)C=C1
466
+ COC1=CC=CC=C1C(=O)N2CCC[C@H1]2C3=NN=CN3C
467
+ COC1=CC=C(/C=C2\OC(=O)C(C3=CC=C(O)C(O)=C3)=C2C4=CC=CC=C4F)C=C1
468
+ CC=C1C=CC(C(=O)NC2=CC(C(F)(F)F)=CC=C2N3CCCC3)=N1
469
+ COC1=CC=C(C(=O)NC2=CC=C(C)C=C2)C=C1NC(=O)CC3=CC=C(C)N=C3
470
+ CC(C)C=CC=CCNC=1C=C(C(=O)N2CCNCC2)N(C3=CC=C(N4CCOCC4)C=C3)N=1
471
+ OC1=CC(Cl)=CC(C2=CC=C(F)C=C2F)=C1O
472
+ C1C(=O)N[C@@H1](C)C=CC=C1N[C@@H1](C)C(=O)N[C@H1](C(=O)NC(C)(C)C)C(C)CC=C
473
+ C[Si](C)(C)CC(CC(F)C(C)(C)O)CCC1OC1(C)C
474
+ CCN(CC)C(=O)C(C#N)=NN1C(C2=CC=C(C)C=C2)=CN=C1S
475
+ O=C(O)/C=C/C1=CC=CC=C1CC2=CC=CC=C2
476
+ COC1=CC=CC=C1C(=O)NC2=CC=C3C(=C2)N(CC(=O)NC4CCCC4)C(=O)C5=CC=CC=C5[S+1]3[O-1]
477
+ COC1=CC2=C(C=C1OS(N)(=O)=O)CC[C@@H1]3[C@@H1]2CC[C@]4(C)[C@@H1](C(C)=O)CC[C@@H1]34
478
+ CC(=O)N(O)/C(=N/C=C(N)N)NC(=O)[C@@H1]1OC(OP(=O)(O)O)[C@@H1](O)C(O)[C@@H1]1O
479
+ C1OC(=O)C=CC=CC1CNC(=O)CC2=CN=C3C=CC(N4CCC(C)CC4)=NN23
480
+ COC=C1C=C([C@H1][C@H1](O2)[C@H1](C3=CC(C)=CC(C)=C3)N(C(=O)C(C)OC4=CC=CC=C4)C2)C=C1OC
481
+ COC=CC=C(C=C(C1=CC=C(NS(C)(=O)=O)C=C1)CCCC(F)F)F
482
+ COC1=CC=CC2=C1C(=O)C3=C(C2)NC(N)=C(C#N)C3C=C(C(=O)N(C)C(=O)N(C)C=O)NC
483
+ O=COCCC1C(O2)(CCCCC3(OCOC(C)C(OC4OC(C)C(OC5OC(CO)C(O)C(O)C5O)C(O)C4OC)(O)COC6OC(C)C(O)C(O)C6)OCCC23CC7(O)CCCO)C(=O)CC17CC
484
+ C1OC=CC=C1/C=C2\S/C(=N\NC(=O)C3=CC=CN=C3)N(C4=CC=C(F)C=C4)C2=O
485
+ COC(=O)C1=CC(C2=CC=C(OCF)C=N2)=CC(C(=O)OC)=C1
486
+ CC1=CC=CC=C1C(=O)O[C@@H1]2CC[C@@]3(O)[C@H1]4CC5=CC=C(O)C6=C5[C@@]3(CCN4CC7CC7)[C@H1]2O6
487
+ O=C1C2=CC=CC=C2N=C(SCC3=CC=C([N+1](=O)[O-1])C=C3)N1CC4=CC=CC=C4
488
+ CCCCCCCN(CCC1=CC=CC=C1)CC2=CC=C(OCC3=CC=CC(F)=C3)C=C2
489
+ CC1=CC=CC=C1NC(=O)C2=CC(S(=O)(=O)N3CCN(C4=CC=CC=C4)CC3)=CC=C2F
490
+ COC1=CC=CC(C(=O)NC2=NC=CC=C2C)=C1
491
+ CCCCC1(C(=O)NCC(CO)CC)N(C2=CC=C(F)C=C2)CC1
492
+ CC(C)CC1NCC(=O)N(CCCCCCNS(=O)(=O)C2=CC=CC3=CC=CC=C23)C1CCC4=CC=C(Cl)C(Cl)=C4
493
+ CCCN(C(=O)[C@H1]1CNCCN1S(=O)(=O)C2=CC=C3C(=C2)OCCO3)C4CCS(=O)(=O)C4
494
+ COC=C1C=C(N/C=C2\C(=N)NN=C2C3=CC(Cl)=C(OC)C=C3O)CC=C1
495
+ CO[C@](C1=CC=CC=C1)CC(=O)C(CC2=CC=C(C3=CC=C(F)C=C3)C=C2)C=O
496
+ CC1=CC=C(C(=O)N(C)[C@@H1](C)C2=CC=C(NC(=N)NCC3=CC=CC=C3C#N)C=C2Cl)C1
497
+ CN(C(=O)C1=CC=CC(N2N=CC(C(=O)O)=C2C3=NC4=CC=CC=C4S3)=C1)C5=CC=NC=C5
498
+ CC(C)CC=NC1=C(C(C(=O)N[C@@H1]2CCN(C#N)C2)=N)CCC3=CC=CC=C31
499
+ O=C(NC=CC=C1C=C(C2=CN3C=CC=CC3=N2)N=C(SCC4=CC=C([N+1](=O)[O-1])C=C4)[NH1]C=C1C5C)CN(CC6=CC=CC(OC7=CC=CC=C7)=C6)CC5
500
+ CCOC(=O)/C=C1\SC(NC2=CC=CC3=CC=CN=C23)=NC1=O
501
+ CC=C1C=C(NC(=O)COC(=O)CN2C(=O)OC3=CC=CC=C32)C=C1
502
+ C=NC(=O)CNC(=O)C=NN(C1=CC=C(F)C=C1)C(=O)CC
503
+ O=C(O)CCCN=CC(NCC1=CC=CC=C1)=CC2=CN=CC=C2
504
+ C=CC=1SC(N)=NC=1C=2C(=CNC=2C)CC(NC(=N)N)CC
505
+ CC1=CC=CC=C1N2N=CC3=C2CC(C)(C)CC3(C)C
506
+ CCN(CC)CC(=O)NCC1=C(NC2=CC=C([N+1](=O)[O-1])C=C2OC[NH1])N1
507
+ COC1=CC=CC=C1/C=C/C(=O)N[C@H1]2C[C@H1]2C3=CC(C(=O)C4=CC=CC=C4)=CC(C(=O)OC)=C3
508
+ O=C(O)C1CCCN(S(=O)(=O)C2=CN=C(C3CC3)C=C2F)C1
509
+ CCCCCCCCCC1C(N)C(=O)NC(C2=CC=CC=C2)C(C(C)=O)CC1=O
510
+ COC(=O)C1=CC=C(NC(=O)CC2C(=O)N(C3=CC=CC=C3)C(=O)N2C4=CC=C(Cl)C=C4)C=C1
511
+ N#C[C@H1]CCN(C1CCN(C(=O)C2CC2)CC1)CC
512
+ O=C1NC(C(=O)N1CC2=CC=C3OCOC3=C2)CC(=O)N4CC5=CC(OC)=C(OC)C=C5CC4
513
+ CC1=CC2=CC(=C1)N=C(NC3=CC=CC(Cl)=C3)CS2(=O)=O
514
+ N1[C@H1]CN(C(=O)N2CCC3=CC=CC=C32)[C@@H1]CCC[C@H1]1
515
+ CC(=O)N(C(=O)NC1=CC=C(F)C(Cl)=C1)C2=NC=CC=C2C(F)(F)F
516
+ COC1=CC=CC(=C1)CC(C2=CC=CS2)CC(=O)NCC3=CC=CC=C3
517
+ CC(C1)CC2=CC=C(N3CCCC3)C=C2[C@H1](F)CCCN1
518
+ CON[C@H1](C)C1=CC=CC(C2=CC3=C([NH1]2)C4(CCOCC4)CNC3=O)=C1
519
+ CC=C1C=C(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2C4=CC=C(F)C=C4)C=C1
520
+ O=[N+1]([O-1])C=CN=C(NC1CC(C(=NN(C2CC2)C3CC3)C)C1C)N
521
+ CC1CCCN(C2=CC=C(C3=NC=NC=4[NH1]C=CC3=4)C(OC)=C2F)C1
522
+ NS(=O)(=O)C1=CC=C(C2=CC(NCC3=NC4=CC=CC=C4N3C)=N[NH1]2)C=C1
523
+ CC(=O)N(C(=O)O)CC(C(N)=O)C1=CC=CO1
524
+ CC(C)C=NN=C(CN(CC1=CC=C2N=CC=CC2=C1)S(=O)(=O)C3=CC=C(F)C(F)=C3)O
525
+ CC=C1C=C([C@H1]C2N(C3=NC(C4CC4)=NC5=C3N=C6N5CCCC6)CCO2)C=C1
526
+ O=C(OCC12C(=CC3OC(=O)C(=C)C3C1)C(OC(=O)CCC4)C(=C)CCCC24C)COCCCC
527
+ CS(=O)(=O)NCCN(C1=NC(N[C@H1]2CCCCO2)=NC3=CC=CC=C13)C
528
+ CC1=CC=C(C(=O)NC2=CC=C(OC(=O)NCC3CCNCC3)C=C2)O1
529
+ COC1=CC=C(C2=CC(C)=CC=C2[N+1](=O)[O-1])C=C1
530
+ CC(OC(C)(C)C)C(=O)NC1CCN(CC2=CC=CC=C2)CC1
531
+ O=C(O)C1=CC=C(N/C(=N\O)C2=CC=CC=C2)C=CC=C1[NH1]
532
+ CO[C@@H1]1COCC[C@@H1]1NC(=O)C2=CC=C3N=C(C4=CC=CC5=CC=CC=C45)[NH1]C3=C2
533
+ COC=C1C=C(N2N=CC3=C(OCCN4CCCCCC4)N=CN=C32)C=C1OC
534
+ NS(=O)(=O)C=CC=C(NC(=O)C=CC=C(NC1=NC2=C(S1)C3=CC=C(Cl)C=C3CC2C)NC)C
535
+ NS(=O)(=O)C1=CC(C2=NN=C(S)S2)=CC=C1N3CCC(OC4=CC=C(C#N)C(Cl)=C4)CC3
536
+ COC1=CC=C(S(=O)(=O)N2CC[C@H1]2C(=O)NC3=CC=C(Cl)C(Cl)=C3)C=C1
537
+ CCCCCCC=C1C=C(N(C)C(=O)C(=O)C=C(C)[NH1]C(C)=C)CC(C)=C1
538
+ CC(C)CC1=NC(O)=C2C(C)=C[NH1]C2=N1
539
+ CN(C(=O)NCC(=O)NCC(=O)N(C)[C@H1](CC1=CC=CC=C12)C=O)C(Cl)C(Cl)=C2
540
+ CCCCCCCCC(=O)NCC1=CC=C(C(C)C)C=C1
541
+ CO[C@@H1]1COCC[C@@H1]1NC(=O)CC2=CC=CC=C2F
542
+ CC1=CC=C(S(=O)(=O)N(CCCN2CCOCC2)CC3=CC=CO3)C=C1
543
+ C1C=CC=CNC(=O)[C@@H1]2CCCCN2C(=O)[C@H1](NC(=O)OC(C)(C)C)C(C)(C)CC=C1
544
+ CCCCCCCCCCC(=O)N[C@@H1](CC1=CC=C(C(=O)OC)C=C1)[C@H1](O)CC(=O)NCC2=CC=CC(OC(C)C)=C2
545
+ CC(O)=NC1=C(N=CC(=C1C)C2=CC=C(OS(=O)(=O)[O-1])C=C2[N+1]=O)[O-1]
546
+ O=C1C=C(OC)C(=O)C=C1OC(C(=O)CCC=C)(C(=O)O)C
547
+ C1C=CC=C(S(=O)(=O)NCCN(C2=CC(C(=O)NC3CC3)=NC=N2)CC)C1
548
+ CCOC(=O)CN1C(=O)N(C2=CC=C(Cl)C=C2)C(=O)C1CC(=O)NC3=CC=C(C(=O)OCC)C=C3
549
+ O=C1C=C(C2=CC=C(Cl)C=C2)N(S(=O)(=O)C3=CC=CC=C3)C1=O
550
+ CC(C)C1=CC2=C(C=C1O)CC[C@@H1]3[C@@H1]2CC[C@]4(C)[C@@H1](C5=CC(=O)OC5)CC[C@]34O
551
+ C1OC=CC=CC2=CC=NC(C)=C2N1CCNC3=NC=CC4=C3C(=O)N(C)C4C
552
+ COC=C1C=C(C2=NN(C3=CC=C(Cl)C=C3)C=C2/C=C\C(=O)NC4=CC=C(Cl)CC(F)(F)F)C4C=C1
553
+ COC=CC(OC)=CCC(=O)NCC1=C(C=C(NCC2=CC=C(C(=O)O)C=C2)C=C1CO)C
554
+ COC1=CC=C2C(=C1)CC3[C@@H1][C@@H1]2CC[C@]4(C)[C@@H1](NC(=O)C=C(C)C)CC[C@]34O
555
+ CC(C)(C)OC(=O)[C@H1](CC1=CC=CC=C1)NC(=O)C(=O)C2=C[NH1]C3=CC=CC=C23
556
+ CC1=CC=C(S(=O)(=O)N2CCSC2C3=CC=C(Cl)C=C3)C=C1
557
+ COC1=CC(C(=O)NCC2=CC=C(Cl)C=C2Cl)=CC=C1N3C=C(C4=CC=C(Cl)C(C=5N=N[NH1]N=5)=C4)C=N3
558
+ COC=CC=C(N1N=CC(Cl)=C1NC(=O)C2=CC=C(Cl)C=C2C)C
559
+ CC1=CC=C(C2=CN3C=C(NC(C)=O)C=CC3=N2)C=C1
560
+ CCOC(=O)C1CCN(S(=O)(=O)C2=CC=CC=C2Br)CC1
561
+ COC1=CC=C([C@H1]2CC(=O)N(C3=CC(Cl)=CC(Cl)=C3)C2=O)C(Cl)=C1
562
+ OC1=NC=NC2=C1N=C(/C=C/C3=CC=C(F)C=C3)N2C(F)(F)F
563
+ CC1=CC=CC(/N=N/C2=CC=CC(O)=C2)=C1
564
+ CCN(CC)CCN(C1=CC=C(NC(=O)C2=CC=C3C(=C2)OCO3)C=C1)C4=CC=CC=C4F
565
+ COC1=CC=C(/C=C/C(=O)OCCNC(C)C)C=C1OC
566
+ O=CC1=CC=CC(C2=CC=CC3=CC=CC=C23)=C1
567
+ CC(=O)N(C=C(C(=O)O)NC(=O)[C@H1](CCCCN)NC(=O)[C@@H1](CC1=CC=CC=C1)NC=O)CC=CC=C
568
+ COC(=O)C1=CC=C(NC(=O)NC2=CC=C(S(=O)(=O)N3CCCC3)C=C2)C=C1
569
+ CCCN(CCC1)CCC2=CC(/C=C/C3=CC=CC=C3)=CC=C2C1
570
+ O=C(O)C1=CC=CN=C1
571
+ COC1=CC=C(CN2CCN(CC3=CC=CC=C3Cl)CC2)C=C1
572
+ COC1=CC=C(CN(CC2=CC=CC=C2)C(=O)C3=CC=C(OCCCN4CCOCC4)C(C(F)(F)F)=C3)C=C1
573
+ COC=C1C=CC(NC(=O)C2CCN(C(=O)C3=CC=C(C4=CC5=CC=CC=C5C=C4C)O3)CC2)=C1
574
+ C1OC=CC=CCNC(=O)C=2SC(=S)N(C3=CC=CC=C3)C=2C=C1
575
+ C1C=CC=C(C(C(=O)NC2CCCC2)N3CCN(CC4=CC=CC=C4F)CC3C)C1
576
+ C1C=CC=C1C(=O)N(C2=CC(F)=CC=C2)C3=NN=C(C)O3
577
+ C=CCOC1=CC=C2C=CC=C3C2=C1C=C(OCC=C4N(C=CC5=CN(C)C6=CC=CC=C56)N=N4)C=CC7=CC=CC=C7N=C3
578
+ COC1=CC=CC=C1NC(=O)C2NN=C(C3=C(N4CCN(CCO)CC4)C(=O)NC3)OC5=CC=CC=C52
579
+ O=COCCCC1(C)C(CCC2(C)C1CCC3C4C(C(=C)C)CCC4(C)CCC32)CC
580
+ CC1=CC=C(NC(=O)/C(CC2=CC=CC=C2)=N/OC3=CC=CC=C3)C=C1
581
+ OC[C@H1]1O[C@@H1](N2C=NC3=C(N)N=C(F)N=C32)[C@H1](O)[C@@H1]1O
582
+ CCOC=C1C=C(C=NN=C(NC(=O)C2=CC3=C(S2)CCC3)S)C=C1OC
583
+ CCOC=CC=C(CNC(=O)C1=CN=C(NC(C)=O)S1C)C
584
+ CO[C@H1]OC1[C@]23CC[C@](O)(/C1=C)[C@H1]2C(=O)O[C@@H1](C)C[C@H1](OC(=O)/C(C)=C/C)[C@H1]3
585
+ CCN(CC)CC1OC=C2C=CC=3[NH1]C4=C(OC)C=C(OC)C=C4C=3C2=C1
586
+ COC1=CC=C(OC)C(CN(C2=CC=CC=C2)S(=O)(=O)C3=CC=C4C(=C3)CCN4C(C)=O)=C1
587
+ O=C1C=C(NCCC2=CC=CC=C2)CC(C)C13OC=4C(Cl)=C(OC)C=C(OC)C=4C3=O
588
+ O=C1C2=CC=CC=C2OCC1NC(C(=O)N)CCC3=CNC=4C=CC(O)=CC=43
589
+ C1C=CC=CN2N=C(C=3C=N[NH1]C=3)C=C2C(CC4=CC=CC=C4)NC(=O)CCNCCC=C1
590
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728
+ CCO[C@]1(C(F)(F)F)CCN(C(=O)C=C2SC(CN3CCN(CCCCOC4=NC=NC(N)=C4C#CC5=CC=C(C(F)(F)F)C=C5)CC3)=N2)CC1
729
+ COC1=CC(NC2CCN(CCO)CC2)=CC=C1NC3=NC4=CC(C)=C(C)C=C4S3
730
+ CCOC(=O)CC(N1CCOCC1)=C2C(=O)NC(=O)NC2=O
731
+ COC=C1C=C(/C=C\S2C(=S)N(CC(=O)N(C)C3=CC=CC=C3)C2)OC=C1
732
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733
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734
+ C=CC(C)(SC(=S)NCC1=CC=CN=C1)C(C)C
735
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736
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737
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738
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739
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740
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741
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742
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743
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744
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745
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746
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747
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748
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749
+ COC=CC=C([C@H1]1CC(=O)N(CC2=CC=CO2)C1C)COC
750
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751
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752
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753
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754
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755
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756
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757
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758
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759
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760
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761
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762
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763
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764
+ C1=CC(CN2CCCCC2)=CC=C1CCCC3=NC4=CC=CC=C4N3
765
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766
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767
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768
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769
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770
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771
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772
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773
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774
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775
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776
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777
+ CC(C)(C)OC(=O)NCCCC(=O)NNC(=O)NC1=CC=C(N2CCOCC2)C=C1
778
+ CCN(CC)C1=CC=C(C(=O)O)C2=C1C(=O)C=CC2=O
779
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780
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781
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782
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783
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784
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785
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786
+ C1C=CC=C(OCC2=NN=C3SC(C4=CC=C(/C=N/O)C=C4)=NN23)C=C1C
787
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788
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789
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790
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791
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792
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793
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794
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795
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796
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797
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798
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799
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800
+ CC1/C(=N\NC2=NC3=CC=CC=C3S2)CC(C4=CC=CC=C4)NC1=O
801
+ CCCN(CCC)CCNC(=O)C1=CC(C2=CC=CN=C2)=NC3=CC=CC=C13
802
+ N#C/C(=C\C1=CC=C(F)C=C1)C2=CC(F)=CC=C2OCC3=CC=C(F)C=C3
803
+ O=C(O)CCC(NC(=O)NC1=NC2=CC=CC=C2[NH1]1)C=O
804
+ CC1=CC(C(=O)C2=C(C(=O)O)C=CC=C2C#N)=CC(C)=C1O
805
+ CC(=O)NC1=CC=C(NC(=O)C2=C(C3=CC=CS3)CCC2)C=C1
806
+ CCOC(=O)NCCN(C(=O)CNC(=O)NC1=CC=C2N=NN(C(=O)C2=C1)CCCCCC)C
807
+ O=C(OC1CCC2C=C(CCC2C1(C)C)C3(C)CC4CCCC(OC(=O)C)(C)C34C)CC
808
+ COC1=CC(C(=O)N[C@@H1](C)C2=NN=C[NH1]2)=CC=C1N(CC3=CC=C(C)C=C3)C(C)=O
809
+ C1OC=CC=C(CN2CC=CN(C(C3=CC=C(F)C=C3)C4=CC5=CC=CC=C5N=C4Cl)N2C)C1
810
+ O=C(O)CC1CCN(C(=O)C=2OC=CC=2)CC1CCN3CCN(C4=NC=CC=C4)CC3
811
+ COC=CC1=CC=C(C2=CC(O)=C(OC)C(C(=O)O)=C2)C=CC1=C
812
+ COC1=CC=C(C=2N=C3SC=CN3C=2NC4=NN=C(C5=CC=C(OC)C(F)=C5)S4)C=C1
813
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814
+ COC1=CC=CC=C1CNC(=O)CC(=O)N(CC2=CC=CC=C2)CC3=CC=C(Cl)C=C3
815
+ C(=C(C)C)CCC
816
+ COC1=CC=CC=C1CNC(=O)C(=O)N2CCC(C3=NC(C4=CC=C(OC5=CC=CC=C5)C=C4)=NO3)CC2
817
+ NS(=O)(=O)C1=CC=C(NC(=O)N/N=C/C2=CC=C([N+1](=O)[O-1])C=C2Cl)C=C1
818
+ O=[N+1]([O-1])C1=CC=CC=C1N(CCCCCCCCCCCCN2C3=CC(=NC4=CC=CC=C34)/C=N/C5=CC=C(Cl)C=C5)CC2CC6=CC=CC=C6
819
+ CC1=CC=CC=C1CN2C(=O)C3=CC=CC=C3C2(O)C4=C[NH1]C5=CC=CC=C45
820
+ CCCCCCN(CCC(=O)O)C1=CC=C(NC2=NN=C(C(=O)NC3=C(C)C=CC=C3Cl)S2)C=C1
821
+ O=C1C2=CC=C(OCC=C(C)C3CC(C)C4(OC(=O)CC4C)C(C)C3CCC2)C=C1
822
+ COC=C1C=CC(N(C)CCC(=O)NCCC2=CC=C(S(C)(=O)=O)C=C2)=C1
823
+ CCOC(=O)C(=C\C1=CC=C(Br)C=C1)/C(=N/NC(=O)C2=CC=CC=C2[N+1](=O)[O-1])N(C)C
824
+ O=C1C2=CC=CC=C2NC=C1C(=O)C=3C(O)=C(C(=O)OC=3C)CC=CC(N)=CC=C
825
+ CC1=CC=C(OCC(=O)NC2=CC=C(NC3=NC4=CC=CC=C4N=C3OC)C=C2)C=C1C
826
+ CCN(CC)CCN1C2=CC=CC3=CC=CC(=C23)C14CCN(CC5CC5)CC4
827
+ COC=CC=C(CC(=O)N(C)CC1=NN=CN1CC)COC
828
+ O=P(O)(O)OCCCC
829
+ CC(C1=CC=CC=C1)N(C(=O)C(=O)NC2=NC3=C(C(F)(F)F)C=CC=C3S2C4)CC=CC=C4C(F)(F)F
830
+ CCCCCCCC(=O)O[C@H1]CC[C@@](C1)C=CC[C@H1]2C[C@H1]1CC3[C@](C)[C@@H1]([C@@H1](C)C4CC4C)C[C@@H1]23
831
+ CC(C)C1=CC=C(/C=C/C(=O)NC2=CC=C(C(C)C)C=C2)C=C1
832
+ COC1=CC=C(NC(=O)COC(=O)/C=C/C2=CC=C(O)C(O)=C2)C=C1
833
+ CCON1C(C2=CC=C([N+1](=O)[O-1])C=C2)=CC(C3=CC=CC=C3)=CC1=O
834
+ CC#C[C@]1(O)CC[C@H1]2[C@@H1]3CCC4=CC(O)=CC=C4[C@H1]3CC[C@@]21O
835
+ CC(=O)N[C@H1][C@H1]1O[C@H1]CC2[C@](C)[C@H1]C(=O)C3=C[C@@H1]C[C@@](C)(CNCC[C@@](C)[C@]3(F)[C@@H1](O)C[C@]C)[C@]2(C)CC[C@@H1]1CC
836
+ CC(C)C=1C=C(C(=O)N/N=C\C2=CC=CC=C2)N(C3=CC=CC=C3)N=1
837
+ CC1=CC=CC=C1NS(=O)(=O)C2=CC(C(=O)NC3=CC=CC(Cl)=C3)=CC=C2N(C)CC(F)(F)F
838
+ C1C=CC=C(C(=O)NCC2=CC(Cl)=CC=C2OC)C1
839
+ COC=CC=CC(C=C(/C=C/C1=CC=C([N+1](=O)[O-1])C=C1)SC(S(=O)(=O)C2=CC=CC=C2)=CC)=NC
840
+ O=C(O1)C2=CC(OC)=C(OC)C=C2C3=C(OC)C(O)=CC=C3CC1
841
+ CC1=CC=CC=C1CNC(=O)[C@@H1]2CCCN2C(=O)C3=CC=C(O)C(S(=O)(=O)NC4=CC=CC=C4Cl)=C3
842
+ CCO/N=C\C[C@H1]1[C@](C)(CCO)C[C@H1](CN1)[C@H1]C/C=C\C2=C3C=C(C(OC)=C2)CC[C@]3C
843
+ C1OC=CC=C(N2C=C(CN3CCCC4=CC=CC=C43)N=N2)C1
844
+ COC=C1C(NC(C)CCCNC(=O)[C@@H1](N)CCC2=CC=CC=C2)=C3N=CC=CC3=C1
845
+ O=CC=C(OC)C(=O)CC(=O)C(=C(O)CC)CC
846
+ CCOP(=O)(CC1=CC=CC=C1OC(CF)(F)F)CCC
847
+ O=C1C=C(C2=CC=CC=C2)OC3=CC(OCCN4CCC(N5CCCCC5)CC4)=CC=C13
848
+ CC(=O)NC1=CC=C(NC(=O)N2C=C(C(=O)NCC3=CC=C(C(=O)O)C=C3)C4=CC=CC=C42)C(C(=O)O)=C1
849
+ CC(C)CC1=CN=CC(CC2=CC=C(C(F)(F)F)C=C2)=C1
850
+ COC1=CC=C(C(=O)OCC(=O)NC2=CC=C(C(=O)O)C=C2)C=C1
851
+ CC(C)(C1)C=CC=C(N2N=C(C(C)(C)C)C=C2C3=CN=CN=C3C)N1
852
+ CC=CC1=CC(CNC(=O)C=C2C1(NC(=O)C3CC4CC(CC(C4)C3)C)NC=C2)F
853
+ COC1=CC2=C(C=C1N3C=NC=C(F)C(=O)C(C(=O)O)=CNC=C3C4=CC=C(OC)C=C4)N5C[C@H1](F)C[C@@H1]25
854
+ CC1=CC=CC(C)=C1NC(=O)C=2SC3=NC=C(C=C3C=2C)NC(=O)CCC
855
+ C1C(=O)N[C@@H1](C)C=CC=C1O[C@@H1]CCN(C=NC2=NC(OCC(C)C)=CC=C2)Cl
856
+ COC=CC=C(S(=O)(=O)N(CCC(=O)NCC1=CC=CC=C1F)C2=CC=CC=C2)F
857
+ C=C1N=CN=CC2(C=CN(C[C@H1]3CNC[C@H1]3NN)N2C)[NH1]C=C1
858
+ CN(C(=O)CCC1=CC=CC=C1)C2=CC=C(OCCN3C(=O)CCC3=O)C(OCC4=CC=CC=C4)=C2
859
+ CC1=CC=C(OC(=O)C2=CC=C(C3=CC=CC=C3)N=C2)C(C)=C1
860
+ O=CN1C2(OC)COC(C=CCC3C1)C=C(O)C(OC)=C2C3
861
+ O=C(O)C1=CC=CC(NC=2C=CC(=O)N(C3=CC=CC=C3F)C=2Cl)=C1
862
+ C1C=CC=C1NC(=O)C2=C(NC=O)C=CC=C2OC=C
863
+ CCOC(=O)C1=CC(NC(=O)CC2=CC=C(F)C=C2)=C[NH1]1
864
+ C1C=CC=C(NC=C(C=C(C(=O)O)C(C)C)N=C[NH1]C=O)C1C
865
+ CC(C)(C)C(=O)NCCC(=O)NC=C1C=CC(S(=O)(=O)N(C)C2=CC=CN=C2C)C=C1
866
+ COC1=CC=C(C2=CC=CC(C(F)(F)F)=C2)C=C1OCCNCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
867
+ CC1=CC(/C=C/C2=CC=C(N=N2)OC=C3C(=O)C(C(=O)O)=CN(C4CC4)C3=C5OC5)=CC=C1OC(=O)C6=CC=CN=C6
868
+ CCCC1CCC(=O)C(C)C(CC)O1
869
+ C=CC[C@H1](O[C@@H1]1O[C@H1](C2O)[C@@H1](O)[C@H1](OC)[C@H1]1O[C@@H1]C)[C@H1](O[C@@H1]3O[C@H1](CO)[C@@H1](O)[C@H1](O)[C@H1]3O)[C@H1](O[C@@H1]4O[C@H1](C)[C@@H1](O)[C@H1](O)[C@H1]4O)[C@@H1](CC5=CC=C(O)C=C5)O2
870
+ CC(C)(C)N(CC1=CC=CN=C1)C(=O)C2=CC=CC(=C2)C3=CC=NC(=N3)NC4=CC=CC(=C4)C
871
+ CC(O)(C=C1C=CC(NC(=O)CN(C#N)CC)=C1)C(F)(F)F
872
+ O=CN1C(=O)C2(CCCCC2)C(=O)N1C3=CC=C(Cl)C(Cl)=C3
873
+ O=CC1=C(O)C=CC=C1C(O)(C2=CC=C(O)C=C2)C
874
+ C1C=CC=C(NC(=O)[C@H1](NC2=CC=C(I)C=C2Cl)C(=O)OC)C1
875
+ CC(=O)NC1=CC=C(F)C(F)=C1
876
+ COC1=CC=C2C=C(C3=CC(OC)=C(OC)C=C3C(=O)C2=O)C=CC=C1
877
+ CCCCCCCC/C=C/CCCCCCCC(=O)OCC(CO[C@H1]1O[C@H1](CO)[C@H1](O)[C@H1](O)[C@@H1]1O)OC(=O)CCCCCCCCCCCCCC(=O)O
878
+ COC=C1C=C(C2=NN(CC(=O)NC3=CC=CC(F)=C3)C(=O)N2CC(=O)NCC4=CC=C(F)C=C4)C=C1
879
+ C1OC=CC2=CC1(C(=O)NC=CC=CC(C(=O)NCCN(CC)CC)C=C)C2
880
+ COC1=CC=CC=C1CNC2[C@@H1](NCCC3=CC=C4C(=C3)OCO4)[C@@H1](O)C2
881
+ COC1=CC2=C(C(OC)=C1OC)C(C(C)=O)=C[C@@H1](C3=CC=C(O)C(OC)=C3)O2
882
+ CCCCCCCCCCCCCC(=O)OCC(CO[C@H1]1O[C@H1](CO)[C@H1](O)[C@H1](O)[C@H1]1O)OC(=O)CCCCC
883
+ O=CC1=C(O)C=CCOC(=O)C2=C(OC)C3=CC(OC)=CC(O)=C3C(=O)C1(O)CC2
884
+ COC=C1C(C(=O)NCC(=O)NCCC2=CC(OC)=CC(OC)=C2)=CC(OC)=C1OC
885
+ NS(=O)(=O)C1=CC=C(NC(=O)NNC2=NC=NC=C2SC3=CC(Cl)=CC=C3)C=C1
886
+ O=[N+1]([O-1])C1=CC=C2[NH1]C(NC3=CC=C(S(=O)(=O)N4CCOCC4)C=C3)=NC2=C1
887
+ CC(C)C1=CC=C(NC2=NSC(N3C=NC4=CC=CC=C43)=N2)C=C1
888
+ CCCCCCCCCCCCCCCCOC1=NC(N)=C(S(=O)(=O)F)C=C1F
889
+ C1COC=C2C=C1C=CC=NC2(N3C=CC(OCC4=CC=CC(F)=C4)=CC3=O)C=C
890
+ C1OC=CC=C(NC(=O)N(NC(=O)CC2CCCC2)C(=O)C3=CC=CC=C3)C1OC
891
+ CC=C1C=CC(CNC2=CC(C(F)(F)F)=NC(NC3=NC4=C(Cl)C=CC=C4N=C3CC)=N2)=N1
892
+ CN1C(N2CCN(C3=CC(C(F)(F)F)=CC=N3)CC2)=NC(C4=CC=NC=C4Cl)=CC1=O
893
+ COC=CC=C(NC1=NC=CC=C1C(=O)NC2=CC=C(C3=CC=C[NH1]3)C=C2C)C
894
+ O=C(O)C=CC1=C(C(=O)NCC=C2C=C(NC(=O)[C@H1]CCC3=C(O)C=CC=C3)C=C2)C=C1
895
+ O=C(O)C=CC1=COC1(C2=CC(O)=C(O)C(=C2C)C(C)CC)O
896
+ O=COCC1C2C(O)(CC=C3CC(OC4OC(C)C(OCOC(C)C(OC5OC(C)C(OC6OCC(O)(CO)C6O)C(OC)C5)OC(OC)C)C(OC)C4)CCC32CC7(O)CCCC(=O)C)C17CC=CC=8C=CC=CC=8
897
+ CC[C@]1(O)CCCN1C(=O)NC(=O)NCC=CC2=CN=C3C=CC(NC4CCN(C)CC4)=CC3=C2
898
+ O=CNC(=O)N(CC1=CC=C2O1)CN=C(C3=CC=C([N+1](=O)[O-1])C=C3)[NH1]C(=O)C2
899
+ O=C1NC(C(=O)N1CC2=CC=C3OCOC3=C2)CCC(=O)NCC4=CC=C(OC)C=C4
900
+ C1COC=CC=C1CNC(=O)C(C2=NS(=O)(=O)C3=CC(C(F)(F)F)=CC=C3N2C)(O)OCCC=C
901
+ O=C1C=C(OC(=C1)C2=CC=CC=3C=CC=CC=32)CNC=4C=CC=CC=4OC
902
+ CC1CCCCC1NC(=O)CNC(=O)NNC(=O)C2=CC=C(OCC3=CC=CC=C3)C=C2
903
+ COC=C1C=C(C(CC(=O)NCC2=CC=C(C(=N)N)C=C2)OC(=O)C3=NOC(C(N)=O)=C3)C(OC)=C1OC
904
+ CCCCC1=NN(CCC)C(=O)N1CC=C2C=C(C3=CC=CC=C3CN4CCC(O)CC4)C=C2
905
+ COC1=CC2=C(NC3CCN(C)CC3)C=CN=C2C=C1OCC
906
+ CCCCCC1=CC(O)=C2C(=C1)OC(C3=CC=C(C)C=C3)CC2=O
907
+ CC1=CC=C(S(=O)(=O)N(CC2=CC=CC=C2Cl)C3CCN(C(C)=O)CC3)C=C1
908
+ C1OC=CC=CC1C(=O)N[C@H1]CC[C@@H1](N2C=NC3=C(C#CC(C)(C)O)N=CN=C32)C=C
909
+ COC1=CC=C(S(=O)(=O)N2CCC(C(=O)NNC(=O)CC3=CC=C(F)C=C3)CC2)C=C1
910
+ CC(C)C1CC(C)(C)C2=CC(OC(=O)NC3=CC=C4C=CC(=O)[NH1]C4=C3)=C(C)C=C21
911
+ C1C(C)C=NOC1CN(C)CCNS(=O)(=O)C2=CC=CC=C2N
912
+ CC1=CC=C(C2=NN=C(N/N=C/C3=CC=CN=C3)O2)C(Cl)=C1
913
+ CC1=CC=C(C(=O)NC2=CC=C(C(=O)NCC3=CC=C(N(C)C)C=C3)C=C2)C(Cl)=C1
914
+ C1OC=CC(/C=N/NC2=NN=CC=N2)C(Br)=C1OCC3=CN([C@@H1]4O[C@H1](CO)[C@@H1](O)[C@H1](O)[C@H1]4O)N=N3
915
+ CC=CC=CC=1N=C2N=CC(NCCC3=CC=NC=C3)=NN2N=1
916
+ CNC[C@@H1]CN1C[C@H1](C=C2C=C(N3C(=O)S/C(=C\C4=CC=C([S+1](C)[O-1])C=C4O)CC3)OC=C2)C1
917
+ CCCN1N=NC(C2=NC=CC=N2)=N1
918
+ O=COC1CC2OC2CC3(OC(=O)C4=CC5=CC6=C(N=CC=C6N=C5C=C4C7=CC=CC8=CC=C(OC)C=C78)C9=CC=C(C(=C9)C)CC=%10[NH1]C%11=CC=CC=C%11C=%10)CC1C3(C)CC
919
+ CC1=CC=C2C(=C1)S(=O)(=O)C3=CC(C4=CC(O)=CC=C4O)=CC=C32
920
+ O=C(O)CCC1=C(N=CN1C=CC2=CC=CC3=C2OCC3)[NH1]C(=CC=4C=CC=CC=4)C
921
+ C1C=CC(N2CCCN(CCC(=O)C3=CC=C(F)C=C3)CC2)=NC1N4CCN(CC5=CC=C(C#N)C=C5)CC4=N
922
+ CCCCCCCCCCCCC1=CC(O)=CC(OC)=C1O
923
+ COC1=CC(NC(=O)C2(NC(C)=O)CCCCC2)=CC(OC)=C1OC
924
+ CCCN(CCC)CCCOC1=CC=C(C2=NN=C(S)O2)C=C1
925
+ CCCCCCCCCC(CCO)N1C=NC(N(C)C)=N1
926
+ CCN(CC)C1=NC=C(OC2=CC=C(C)C=C2C(F)(F)F)C=C1NC3CCCCC3
927
+ CCCCCC1=CC(OC)=C(CC(C=O)=C(N)OCC=C(C)CC)C(OC)=C1
928
+ COC1=CC(CCC(=O)NNC(=O)C2=CC=CC(C(F)(F)F)=C2)=CC=C1OCC3=CC=CC=C3
929
+ C1C=CC=C(C2=CC3=C(C=C2S(=O)(=O)NC4CCN(CC5=CC=C(F)C=C5F)C4=O)CO3)C=C1
930
+ O=CC1=CC=CC=C1N=C(C=CN)CNC(C)C
931
+ CC1=CC=C(S(=O)(=O)C2=CN(OC)C(=O)C=C2OC3=CC(F)=C(Cl)C=C3)C=C1
932
+ NS(=O)(=O)O[C@H1]1CN(CC2CCCCC2)C[C@@H1]1C(=O)NC3=CC=C(N4CCCCC4)C=C3
933
+ CNC[C@H1](NC1=NC=NC=2[NH1]N=CC1=2)[C@@H1](C3=C(F)C(F)=C(F)C(F)=C3)F
934
+ CC(=O)N(CC1NC(C)=C(C(=O)NCC2=CC=C(Cl)C=C2)C3=CC(Cl)=CC=C31)CC4=CC=CO4
935
+ CONC(=O)CC(C1=C[NH1]C2=CC=CC=C12)[NH1]CC
936
+ COC1=CC=C(N2N=C3C(=O)N(CC(=O)NC4=CC=CC(F)=C4)N=C(C)C3=C2C(N)=O)C=C1
937
+ C1OC=CC(/C=C/C(=O)OCC(=O)NC2=C(F)C=C(F)C=C2Cl)=C1O
938
+ CCN(CC)C1=CC=CC(=C12)C(=O)N(C[C@@]3(C#CC4=CC(C5=CC=CC=C5OC(F)(F)F)=CS4N)C(=O)N(C6CC6)C3)C2=O
939
+ C1COC=CC=C1NC(=O)CNC(=O)C(C2=CC(Cl)=CC=C2Cl)=CC=C3N=C(C4CC4)[NH1]C3=C
940
+ COC(=O)C=CC=C(NC(=O)C1=CC=C(OC)C=C1OC)C
941
+ COC=CC=C(C1(C#N)CC(CN2CCCCC2)C1C)COC
942
+ OC1=CC(=CC=C1OC)CCNCC
943
+ COC(=O)C1=CC=CN=C1O[C@@H1]2O[C@H1](CO)[C@H1](O)[C@H1](O)[C@H1]2O
944
+ CCOC(=O)[C@H1](C)NP(=O)(OC[C@H1]1O[C@@H1](N2C=CC(=O)[NH1]C2=O)[C@](C)(F)[C@@H1]1O)OC3=CC=CC4=CC=CC=C34
945
+ CCCCC1CNC=C(CN2CCC(C3C2)NC(=O)C=CC4=CC(Cl)=CC=C4O3)N1
946
+ CCCN(CCC)[C@@H1]1CCC2=C(C3=CC=C(F)C=C3)C(C)=NN2C1
947
+ O=C(O)CCCCNCC=C(O)C=C(O)C=1C(=O)C(O)=C(O)OC=1
948
+ O=C(O)C1=CC=CC=C1N2N=NC=C2C3=CC=C(OC)C(OC)=C3
949
+ CC(C)(C)OC(=O)N1CC2=CC(CN3C(=O)C(=O)C4=CC(Cl)=CC=C43)=CC=C2C1
950
+ CCOC(=O)C=1C=CSC=1NC(=O)C2=CC(C3=CC=NC=C3)=NC4=CC=CC=C24
951
+ CN(C(=O)C1NN=NC1=O)C(C2=CC=CC=C2)C3=CC=CC=C3
952
+ CN(C(=O)COC(=O)CC1=CC=C([N+1](=O)[O-1])C=C1)C2CCS(=O)(=O)C2
953
+ C1C(C)CC[C@](C(=O)O)CCC[C@]2(C)C1=CC[C@@H1]3[C@@]4(C)CC[C@H1](OC(=O)/C=C/C5=CC=C(C6=NN=N[NH1]6)C=C5)C(C)(C)[C@@H1]4CC[C@]32C[C@@H1]
954
+ CC1=CC=CC=C1CNC(=O)C=2C=C(NC(=O)C3=CC(C4=CC=CC=N4)=C(Cl)C=C3Cl)N(C5=CC=CC=C5)N=2
955
+ COC1=CC(CNC(=O)CC(=O)N2CCOCC2)=CC=C1OCC(=O)N(C)CCC3=CC=CC=N3
956
+ O=C1C2=CC=CC=C2CN1C3=CC=CC(Cl)=C3C(=O)N(C4=CC=C(C=C4)C5)COCC5NCC6=CC=CC=C6CC
957
+ CCOC(=O)N1CCN(C(=O)CC(C)NC(=O)C2=CC=CC=C2F)CC1
958
+ CCOC(=O)C=C(N(C)C1=CC=CC2=C1)C(C3=CC=CC=C3)=NN(C4=CC=CC=C4)C2C
959
+ CCOC(=O)C=C(N1C(=O)CNC(=O)CNC(=O)N2N=C(C)C3=CC=CC=C32)SC(C)=C1C
960
+ C1C(C)CCCN1CCC(CC2=CC=CC=C2)C3=CC(OCCN4CCOCC4)=CS3C
961
+ O=C(O)CCCCCNC(=O)CC(OC1=CC=CC=C1C(=O)NC2=CC=C3C(=C2)OCCO3)C4=CC=C(F)C=C4
962
+ C1C(C)C(=O)NC=CC=CC1C=2C=C(C3=CC=CC(NC(=O)C4=CC=CS4)=C3)[NH1]C(=O)C=2C#N
963
+ CC1CN(S(=O)(=O)C2=CC=C(C(=O)NC3=CC=CC=C3)C=C2)CC(C)O1
964
+ CC=1[NH1]C(=O)[NH1]C(=O)C=1NC(=O)COC2=CC=CC=C2
965
+ C1OC=CC=C1C=C2C=CN(C3=CC=C(OC)C=C3)C(=O)C2(C)C4=CC=CC=C4C=C
966
+ O=C(O)CCC(NC(=O)C=1N=C(SC=1)C=2SC=CC=2CCC)C(=C)CC(=O)N3CC4C5=CC=CC(=O)N5CC(C3)C4
967
+ O=COC1=CCOC(C)(C1)C(CC(=O)OC)C=C(O)C2C3=CC=C(O)C=C3CCC2(O)OCOC
968
+ COC1=CC=C(C2NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)NO)C=C1
969
+ C1=CC(COC2=CC=CC=C2)=CC([N+1](=O)[O-1])=C1
970
+ COC(=O)C1=CC(/C=C/C2=CC=C(OC)C(O)=C2)=CC=C1NC(=O)C3=CC=C(C4=CC=C(C)C=C4)O3
971
+ C1C=CC=C1[C@H1]2C3=CC=CC=C3C[C@@H1]2NC(=O)C4=CN=CC=N4
972
+ COC1=CC=C(NN=NC(C2CCN(S(=O)(=O)C3=CC=C(F)C(C)=C3)CC2)=NC=O)C=C1
973
+ CC(=O)N(CC1=CC=C2C(=C1)OCO2)CC3=CC=CO3
974
+ C1=CN=CC(CNC2=NC(N3C=CC4=CC(C#N)=CN=C43)=C(Cl)C=C2Cl)=N1
975
+ O=C(OC1CC(OC(=O)C)C2(C)C(OC(=O)C)C3OC3C2(O)C(OC(=O)C)C(OC(=O)C)(C)CC(OC(=O)C(C)C)C14OC4CCC)C
976
+ COC=CC=C(NC(=O)CN1N=C2C(C3=CC=CO3)=NC=CN2C1=O)[N+1](=O)[O-1]
model_eval.ipynb ADDED
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