(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
2
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
3
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2c[nH]n3)O
|
|
4
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
5
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
6
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
7
|
|
|
8
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
9
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
10
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
11
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
12
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
13
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
14
|
|
|
15
|
c1c2c(n[nH]c1=O)CCCC2
|
|
16
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
17
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
18
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
19
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
20
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
21
|
|
|
22
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
23
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
24
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
25
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
26
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
27
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
28
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
29
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
30
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
31
|
Cc1cc(no1)Cn2cnc3ccccc3c2=O
|
|
32
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
33
|
c1ccc(cc1)S(=O)(=O)[N-]c2ncccn2
|
|
34
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
35
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
36
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
37
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
38
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
39
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
40
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
41
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
42
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
43
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
44
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
45
|
c1c2c(n[nH]c1=O)CCOC2
|
|
46
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
47
|
c1c[nH]nc1c2nccs2
|
|
48
|
|
|
49
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
50
|
|
|
51
|
C[S@@](=NCn1c2ccccc2nn1)(=O)c3ccccc3
|
|
52
|
c1ccc2c(c1)nc3n2[C@@H](NC(=[NH+]3)N)c4ccco4
|
|
53
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
54
|
c1ccc(cc1)c2cnns2
|
|
55
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
56
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
57
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
58
|
Cn1c(cnc1Cn2c3ccccc3ncc2=O)Cl
|
|
59
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
60
|
|
|
61
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
62
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
63
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
64
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
65
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
66
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
67
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
68
|
c1ccc(cc1)S(=O)(=O)[N-]c2cccnc2
|
|
69
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
70
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
71
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
72
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
73
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
74
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
75
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
76
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
77
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
78
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
79
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
80
|
Cc1nnc(s1)SCSc2ccccn2
|
|
81
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
82
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
83
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
84
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
85
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
86
|
CC(C)(C)OC(=O)Nc1c[nH]nc1
|
|
87
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
88
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
89
|
|
|
90
|
c1[nH]c2c(n1)c(nnc2N)N
|
|
91
|
c1cc(cnc1)c2cccs2
|
|
92
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
93
|
CCCn1c(n[nH]c1=O)c2cccs2
|
|
94
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
95
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
96
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
97
|
c1ccc2c(c1)-c3ccccc3C45C2(NC(=O)N4)NC(=O)N5
|
|
98
|
c1cocc1c2nc([nH]n2)N
|
|
99
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
100
|
Cc1ccc(c(c1)n2cccn2)c3c4c(nc[nH]4)ncn3
|
|
101
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
102
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
103
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
104
|
c1ccc(cc1)COc2c(nccn2)N
|
|
105
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
106
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
107
|
c1cc(oc1)c2ccc(=O)[nH]n2
|
|
108
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
109
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
110
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
111
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
112
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
113
|
Cc1ccc(n1c2c(ccs2)c3cc([nH]n3)N)C
|
|
114
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
115
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
116
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
117
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
118
|
c1csc(c1Cl)c2c[nH]c(c2C#N)N
|
|
119
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
120
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
121
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
122
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
123
|
CNC1=[NH+][C@@H](N(S1)c2ccccc2)c3ccccc3
|
|
124
|
|
|
125
|
|
|
126
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
127
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
128
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
129
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
130
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
131
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
132
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
133
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
134
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
135
|
c1ccc(cc1)C2=C[C@@H](N3C(=[NH+]2)N=NN3)c4ccco4
|
|
136
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
137
|
CC(=O)NCc1ccccn1
|
|
138
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
139
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
140
|
C1CC(OC1)C2C3C(CNNC3OC2C4CCCO4)N
|
|
141
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
142
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
143
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
144
|
Cn1c2ccccc2nc1Nc3c(=O)[nH]c(=O)[nH]n3
|
|
145
|
CC(=O)OC/C=C/c1cccnc1
|
|
146
|
CN1CCC=C1c2cccnc2
|
|
147
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
148
|
C1CNNCC1CCC(=O)[O-]
|
|
149
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
150
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
151
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
152
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
153
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
154
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
155
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
156
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
157
|
c1ccc(cc1)C2=C(NC(=O)CC2)c3ccccc3
|
|
158
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
159
|
c1ccc(cc1)n2c3c(cn2)c(nnn3)[O-]
|
|
160
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
161
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
162
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
163
|
c1ccc(cc1)[C@@H]2CNC3=C2C(=O)Nc4ccccc4N3
|
|
164
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
165
|
c1cc(oc1)c2nc([nH]n2)N
|
|
166
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
167
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
168
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
169
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
170
|
CC(C)c1nc([nH]n1)CC#N
|
|
171
|
|
|
172
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
173
|
|
|
174
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
175
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
176
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
177
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
178
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
179
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
180
|
c1ccc(cc1)S(=O)(=O)Nn2cnnc2
|
|
181
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
182
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
183
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
184
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
185
|
c1csc2c1c(n[nH]c2=O)N
|
|
186
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
187
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
188
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
189
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
190
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
191
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
192
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
193
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
194
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
195
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
196
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
197
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
198
|
|
|
199
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
200
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
201
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
202
|
CCn1cc(cn1)Nc2c(cccn2)C#N
|
|
203
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
204
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
205
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
206
|
|
|
207
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
208
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
209
|
CSC1C2C(CCN1)N[NH]N2
|
|
210
|
|
|
211
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
212
|
c1cc(cnc1)C(=O)c2ccco2
|
|
213
|
c1c(snn1)c2csnn2
|
|
214
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
215
|
C=CCOc1cccnc1N
|
|
216
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
217
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
218
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
219
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
220
|
|
|
221
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
222
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
223
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
224
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
225
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
226
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
227
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
228
|
CC1=NC(NC(=O)N1Cc2ccco2)(C(F)(F)F)C(F)(F)F
|
|
229
|
c1ccc-2c(c1)CSc3c2[nH]nc3O
|
|
230
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
231
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
232
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
233
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
234
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
235
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
236
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
237
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
238
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
239
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
240
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
241
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
242
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
243
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
244
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
245
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
246
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
247
|
Cc1c2c(n(n1)c3ccccc3)S[C@@H]2c4ccco4
|
|
248
|
Cc1ccc(cc1)S(=O)(=O)Cn2cnnn2
|
|
249
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
250
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
251
|
c1ccc2c(c1)Nc3c(cccn3)S2
|
|
252
|
c1ccc(cc1)c2cccnn2
|
|
253
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
254
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
255
|
|
|
256
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
257
|
c1ccc(cc1)OCCn2ccnc2
|
|
258
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
259
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
260
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
261
|
c1cc2c(=O)[nH]nc(n2c1)[O-]
|
|
262
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
263
|
c1ccc(cc1)C2=Nc3nnnn3[C@@H](C2)c4ccccc4Cl
|
|
264
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
265
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
266
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
267
|
C1CCC(CC1)C2=CC3CCCN3-C4CCCCC4S2(=O)=O
|
|
268
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
269
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
270
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
271
|
|
|
272
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
273
|
c1cc(ccc1C2=C(CCC2)c3ccncc3)F
|
|
274
|
CNC1CNC2CCCCC2N1
|
|
275
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
276
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
277
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
278
|
CN1C=C[C@@H]2c3ccccc3[C@@H](C2=C1)c4ccccc4
|
|
279
|
c1cc(oc(=O)c1)c2cccnc2
|
|
280
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
281
|
C=c1/c(=C/c2ccccc2O)/c(=O)o[nH]1
|
|
282
|
CCSc1[nH]c(c(n1)C)CC(C)C
|
|
283
|
CN(Cc1c(snn1)Cl)S(=O)(=O)c2ccc(cc2)F
|
|
284
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
285
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
286
|
C=CCNC1CCNC(N1)N
|
|
287
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
288
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
289
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
290
|
c1c[nH]nc1C(=O)NC2CC2
|
|
291
|
CS(=O)(=O)NCc1ccccn1
|
|
292
|
|
|
293
|
CN1c2ccccc2N[C@@H]3[C@@H]1[C@@H](C(=N3)OC)c4ccccc4
|
|
294
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
295
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
296
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
297
|
Cc1nnc(o1)CSc2nccn2C
|
|
298
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
299
|
C1CCN(C1)c2c(nns2)CO
|
|
300
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
301
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
302
|
c1cc(oc1)CNn2cnnc2
|
|
303
|
Cc1c(c[nH]n1)c2nc(sn2)Nc3ccccc3
|
|
304
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
305
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
306
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
307
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
308
|
C#Cc1cc2ccccc2nc1
|
|
309
|
|
|
310
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
311
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
312
|
Cn1cnnc1Cc2ccccc2
|
|
313
|
C=C1/C(=C/C2CCCS2)/C(=O)N([NH]1)C3CCCCC3
|
|
314
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
315
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
316
|
|
|
317
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
318
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
319
|
Cc1c2c(n[nH]1)CC(C=C2)(C)C
|
|
320
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
321
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
322
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
323
|
CC1(c2cccnc2NC1=O)C
|
|
324
|
CSc1cnc2ccccc2n1
|
|
325
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
326
|
Cc1c(c(on1)N)C2=CCN(CC2)C(=O)C
|
|
327
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
328
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
329
|
[H]/N=C/N(C2C(S1)C(=O)NC([NH]2)C)C3CCCCC3
|
|
330
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
331
|
CCCCCCC1CN[NH]N1
|
|
332
|
CC(C)N1C(NNN1)SC2CNN(C(=O)C2CL)C
|
|
333
|
c1cc(sc1)c2c[nH]nc2
|
|
334
|
C=CCSc1nccn1c2ccccc2
|
|
335
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
336
|
c1cc(cnc1)CNCCc2ccco2
|
|
337
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
338
|
CCSC1C2C(CN[NH]2)NCN1
|
|
339
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
340
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
341
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
342
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
343
|
c1ccc2c(c1)c3c(c(=O)o2)n[nH]n3
|
|
344
|
CCCNC(=O)Cc1nc[nH]n1
|
|
345
|
|
|
346
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
347
|
CCOC(=O)C1=C(NC(=O)N[C@@H]1C)c2cccs2
|
|
348
|
Cc1c2c(onc2c(=O)[nH]n1)C
|
|
349
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
350
|
c1cc(sc1)c2cncnc2
|
|
351
|
c1cnn(c1)CCSc2nncs2
|
|
352
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
353
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
354
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
355
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
356
|
c1ccc2c(c1)c(n[nH]2)n3cccc3
|
|
357
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
358
|
CCCOn1c(nnn1)c2ccccc2
|
|
359
|
CC1=C[C@@](NC(=O)N1)(C)[C@@]2(C=C(NC(=O)N2)C)C
|
|
360
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
361
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
362
|
CCC(=O)Nc1ncccn1
|
|
363
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
364
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
365
|
Cn1c(nnn1)Sc2cccc(c2C#N)F
|
|
366
|
c1cc(cnc1)[C@@H]2c3cccn3CCN2
|
|
367
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
368
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
369
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
370
|
[H]/N=C/N/C(=C/CCNC(=O)c3c2cc[nH]3)/C(=N1)[O-]
|
|
371
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
372
|
CC(C)c1nc(on1)[C@@H]2Cc3c([nH]c[nH+]3)CN2C(=O)C
|
|
373
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
374
|
Cc1c2c(n(n1)c3ccccc3)-c4ccccc4NC(=O)C2
|
|
375
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
376
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/Nc2nccs2)[O-]
|
|
377
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
378
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
379
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
380
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
381
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
382
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
383
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
384
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
385
|
Cc1c(con1)c2ccccc2
|
|
386
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
387
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
388
|
|
|
389
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
390
|
Cc1nn(c(=O)c2n1c3c(c2)ccs3)CCCC#N
|
|
391
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
392
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
393
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
394
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
395
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
396
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
397
|
c1ccc(cc1)CCOn2ccnc2
|
|
398
|
Cc1c(=O)nc([nH]n1)c2cccs2
|
|
399
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
400
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
401
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
402
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
403
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
404
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
405
|
c1ccc(cc1)CCc2cnccn2
|
|
406
|
c1cc(nc2c1Nc3c(c(ncn3)N)S2)Cl
|
|
407
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2n4cnc(n4)C#N
|
|
408
|
C1CCC(CC1)Nc2nnns2
|
|
409
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
410
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
411
|
C[C@@H]1C[C@@H](n2c(ncn2)N1)c3ccccc3
|
|
412
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
413
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
414
|
c1c(c(n[nH]c1=O)[O-])CC(=O)[O-]
|
|
415
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
416
|
|
|
417
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
418
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
419
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
420
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
421
|
c1c2cc(oc2ncc1F)CO
|
|
422
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
423
|
Cc1c(oc(n1)NS(=O)(=O)c2ccc(cc2)N)C
|
|
424
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
425
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
426
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
427
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
428
|
c1ccc(cc1)c2cncnc2
|
|
429
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
430
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
431
|
CS(=O)(=O)Nc1cccn2c1ncn2
|
|
432
|
Cc1nnc(n1C)Sc2c(c3ccccc3[nH]c2=O)NC4CC4
|
|
433
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
434
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
435
|
c1cc2c(nc1)S[C@@H]3c4cccnc4S[C@H]2O3
|
|
436
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
437
|
CN(C)C(=O)Sc1cccnc1
|
|
438
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
439
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
440
|
c1ccc(cc1)N(CCC#N)c2c(c3ccccc3s2)Cl
|
|
441
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
442
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
443
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
444
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
445
|
CCc1n[n-]/c(=N/C(=O)c2c(c(c(c(c2F)F)F)F)F)/s1
|
|
446
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
447
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
448
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
449
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
450
|
Cc1cc(=O)c(c(o1)Nc2nnns2)C(=O)C
|
|
451
|
Cc1cc([nH]n1)OCCC#N
|
|
452
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
453
|
|
|
454
|
Cc1nnc(n1N)Sc2nccc(n2)OC
|
|
455
|
c1ccc2c(c1)Nc3cc(=O)[nH]nc3N2
|
|
456
|
C1CCC(CC1)C2C(C3C([NH]C2=O)SNN3)[O-]
|
|
457
|
COc1ccccc1C/C=C/c2cccs2
|
|
458
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
459
|
Cn1c(nnn1)c2ccco2
|
|
460
|
c1ccc(cc1)S(=O)(=O)Oc2ccccc2c3nnco3
|
|
461
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
462
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
463
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
464
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
465
|
c1ccc(cc1)c2c3c(csc3nnc2c4ccccc4)O
|
|
466
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
467
|
CC(=O)N(C)c1cccnc1
|
|
468
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
469
|
Cc1nnnn1C2CCCCC2
|
|
470
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
471
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
472
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
473
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
474
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
475
|
Cc1c2c(n[nH]1)Oc3c(c(c(c(=O)[nH]3)C#N)N)[C@@H]2c4ccccc4
|
|
476
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
477
|
CC(=O)c1ccc2c(c1)SCc3ccccc3O2
|
|
478
|
CC(C)CC(=O)C[C@@]1(CC[C@@H](O1)C2CCOC2)C
|
|
479
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
480
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
481
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
482
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
483
|
c1cc(cnc1)CCNCc2cscn2
|
|
484
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
485
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
486
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
487
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
488
|
C1CC2C3=C4[C@@H](C=C3C1)NC(=O)[C@]45CCCC[C@@H]5C2
|
|
489
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
490
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
491
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
492
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
493
|
CCCc1c(ccc2c1oc(=O)cc2C)SC(=O)N(C)C
|
|
494
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
495
|
|
|
496
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
497
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
498
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
499
|
CN1CNC(=O)c2c1n[nH]n2
|
|
500
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
501
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
502
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
503
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
504
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
505
|
CC1(c2c(c3ccccc3[nH]2)-c4c(ccc5c4oc(=O)cc5)O1)C
|
|
506
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
507
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
508
|
c1ccc(cc1)NC(=O)NC23CC4CC(C2)CC(C4)C3
|
|
509
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
510
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
511
|
c1ccc(cc1)c2c(c(sc2SCC#N)C#N)N
|
|
512
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
513
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
514
|
c1ccc2c(c1)ncc(n2)c3cc(c(nc3c4ccncc4)O)C#N
|
|
515
|
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
|
|
516
|
CCOC(=O)c1ccc(=O)c2cccc3c2c1C=C3
|
|
517
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
518
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
519
|
Cc1ccccc1CN(C)Cn2cnnc2C#N
|
|
520
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
521
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
522
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
523
|
c1cc2c(c(cs2)N)nc1
|
|
524
|
Cn1cnnc1[C@@H]2CCCN(C2)S(=O)(=O)C
|
|
525
|
|
|
526
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
527
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
528
|
Cc1ccc(n1c2cnccn2)C
|
|
529
|
Cc1n[nH]c(=O)n1Nc2ccccc2
|
|
530
|
c1ccc2c(c1)C=CN3[C@@H]2C([C@@H]([C@H]3C(=O)N)c4ccco4)(C#N)C#N
|
|
531
|
C[C@@H]1C(=C(Nc2n1c3ccccc3n2)C)C(=O)OC
|
|
532
|
CCSc1ccc(nn1)N
|
|
533
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
534
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
535
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
536
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
537
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
538
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
539
|
C1CCC(CC1)[C@@H]/2CC3CCCCC3C(=O)O/C=C2
|
|
540
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
541
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
542
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
543
|
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
|
|
544
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
545
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
546
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
547
|
C1CCC2C(C1)[C@@H]3C4CCNCC4[C@H]2O3
|
|
548
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
549
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
550
|
|
|
551
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
552
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
553
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
554
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
555
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
556
|
CSc1nnc2n1[nH]cn2
|
|
557
|
Cn1cnnc1SCC#C
|
|
558
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
559
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
560
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
561
|
Cc1ccc2c(c1)-c3cc(nn3[C@H](N2)c4ccccc4)C
|
|
562
|
COC(=O)N1C2CCCCC2C(=N[C@@H]1C#N)C3CCCCC3
|
|
563
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
564
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
565
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
566
|
CCc1cc2c(s1)S[C@@H](NC2=O)c3ccccc3
|
|
567
|
c1c[nH]c2c1ncc(n2)Cl
|
|
568
|
CCCC1=C([C@@H](n2c(ncn2)N1)C)C(=O)OCC
|
|
569
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
570
|
C1CN2C3C(C(=O)[NH]C2N1)SCCN3
|
|
571
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
572
|
Cc1ccc(n1c2ccc3c(c2)nns3)C
|
|
573
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
574
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
575
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
576
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
577
|
CCCc1nncn1NC(=O)OCC
|
|
578
|
Cc1ncc(c(n1)c2ccccc2O)c3cccnc3
|
|
579
|
C1CCC(CC1)C2C(N3N(C2=O)[C@@H]4C[C@H]3C=C4)C5CCCCC5
|
|
580
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
581
|
CN(C)C(=O)Nc1cnns1
|
|
582
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
583
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
584
|
Cc1c2cnnc(c2c([nH]1)C)[O-]
|
|
585
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
586
|
CN(C)C1=[NH+]C=CC(=CC1)c2ccccc2
|
|
587
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
588
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
589
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
590
|
C=CC[C@@H]1CC=C[C@H](N1C(=O)c2[nH]ccn2)c3ccccc3
|
|
591
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
592
|
Cc1nc(co1)C#Cc2cccnc2
|
|
593
|
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
|
|
594
|
Cc1c2c([nH]n1)OC(=C([C@@H]2c3ccco3)C(=O)N)N
|
|
595
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
596
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
597
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
598
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
599
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
600
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
601
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
602
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
603
|
CC1(/C(=C(Nc2ccccn2)/O)/C(=O)c3ccccc3S1)C
|
|
604
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
605
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
606
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
607
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
608
|
C1C[C@@H](OC1)c2nc([nH]n2)N
|
|
609
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
610
|
CN(C)c1[nH]nc(n1)N(C)C
|
|
611
|
Cc1ccccc1SCCN2CCOC2=O
|
|
612
|
CC1=NN=C2[C@H]1C(=c3ccccc3=[NH+]2)Oc4ccc(cc4)OC
|
|
613
|
c1ccc2c(c1)CSc3ccccc3N2
|
|
614
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
615
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
616
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
617
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
618
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
619
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
620
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
621
|
COC1=C(C(=O)O[C@@H]2[C@@H]1C=CC=C2)Cc3ccccc3
|
|
622
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
623
|
CCOC(=O)N1CCC(=CC1)c2c(nn(c2N)C)C
|
|
624
|
c1ccc(cc1)c2c-3n(c(=O)s2)C(=O)c4c3cccc4
|
|
625
|
c1cnc2c(n1)c(cs2)N
|
|
626
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
627
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
628
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
629
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
630
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
631
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
632
|
CC1=C(c2ccccc2C1)Sc3ccccc3
|
|
633
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
634
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
635
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
636
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
637
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
638
|
Cn1c(nnn1)Sc2ccncc2S(=O)(=O)N
|
|
639
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
640
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
641
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
642
|
CCc1nc(c2n1c(ccc2)C)N3CCCC3=O
|
|
643
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
644
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
645
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
646
|
CC(=O)NC[C@@H](c1ccco1)S(=O)(=O)c2ccccc2
|
|
647
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
648
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
649
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
650
|
c1ccc(c(c1)n2ccnc2)S(=O)(=O)C(F)(F)F
|
|
651
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
652
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
653
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
654
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
655
|
Cc1[nH]c(=O)c(c(n1)Sc2cccn2C)C(F)(F)F
|
|
656
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
657
|
c1cc(oc1)c2c(n[n-]n2)C#N
|
|
658
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
659
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
660
|
c1ccc2c(c1)c(sn2)N3CCCCCC3
|
|
661
|
Cc1cn(cn1)c2cccnc2
|
|
662
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
663
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
664
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
665
|
CC(C)(C)c1cc([nH]n1)SC
|
|
666
|
Cc1nc(on1)CN2CCSc3c2cccc3
|
|
667
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
668
|
c1cc2=CC=CNc2c3c1=CC=CN3
|
|
669
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
670
|
C1CCC(CC1)CC2CCC[NH]2
|
|
671
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
672
|
CCOC(=O)c1cccnn1
|
|
673
|
c1cc(cnc1)Nc2nsc(=O)n2c3cccnc3
|
|
674
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
675
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
676
|
CC1=CC(=O)Nc2cncnc2N1
|
|
677
|
CCOC(=O)CNC1=c2ccccc2=[S@@](=O)(N=N1)O
|
|
678
|
c1ccc2c(c1)C[C@@H]3CNCc4c3c(ccc4)S2
|
|
679
|
C1CC2C(C(N[NH]C2=O)[O-])C1
|
|
680
|
CC1C(CNO1)/C=C/C2CCON2
|
|
681
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
682
|
Cn1c2ccccc2n(c(=O)c1=O)Cc3ccon3
|
|
683
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
684
|
CS(=O)(=O)N1CCCN(CC1)Cc2nnnn2C3CC3
|
|
685
|
C=CCc1nc(c2n1cccc2)N3CCOC3=O
|
|
686
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
687
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
688
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
689
|
c1ccc(cc1)n2cccc2c3ccsc3
|
|
690
|
c1cc(oc1)c2nnc(s2)N
|
|
691
|
C[C@@H]1CCCC2=C1[C@@H](C3C(CCCC3N)[C@@H]2O)O
|
|
692
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
693
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
694
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
695
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
696
|
CC(C)c1nc2n(n1)C3(CCCCC3)[C@@H]4CCCC[C@@H]4N2
|
|
697
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
698
|
CC(C)[C@@H]1NC(=O)C2CCCCC2S1
|
|
699
|
CC1=C(CCO1)C(=O)NCCO
|
|
700
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
701
|
CC(=O)c1cc2c(cco2)nc1
|
|
702
|
c1ccc2c(c1)CCc3c(cc(cc3O2)N)N
|
|
703
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
704
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
705
|
|
|
706
|
Cc1nc(c(c(n1)Cl)NC2=NCCN2C(=O)C)Cl
|
|
707
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
708
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
709
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
710
|
c1cc2c(nc1)Sc3cccnc3S2
|
|
711
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
712
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
713
|
Cc1ccc(cc1)N(CC2=NCNC2)c3cccc(c3)O
|
|
714
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
715
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
716
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
717
|
C[C@@]12C(c3ccccc3N1Cc4cc(ccc4O2)N)(C)C
|
|
718
|
CC1CC2C(CC1C)N(C3C(C(=O)[NH]C(N3)N)C2(C)C)C
|
|
719
|
CNC(=O)N[C@@H]1[C@H]([C@@H]([C@@H](O1)CO)O)O
|
|
720
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
721
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
722
|
c1c(c2c(nc[nH]2)nn1)Cl
|
|
723
|
C=CCN(Cc1ccc2c(c1)non2)Cc3ccco3
|
|
724
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
725
|
c1ccc-2c(c1)CCNc3c2cccc3
|
|
726
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
727
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
728
|
CCN1c2cscc2S(=O)(=O)N(C1=O)Cc3ccccn3
|
|
729
|
c1cc2c(nc1)nc(o2)N3CCCC3
|
|
730
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
731
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
732
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
733
|
COC1NC2CCCCC2NN1
|
|
734
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
735
|
c1cc(cnc1)Br
|
|
736
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
737
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
738
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
739
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3=O)NC4=C2C(=O)OC4
|
|
740
|
c1ccc2c(c1)CN(C(=C2)N)C3CCCCC3
|
|
741
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
742
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
743
|
[H]/N=c/n2c(c(s1)c3ccccc3)NCC2
|
|
744
|
CN(C)C(=O)Nc1[n-]nnn1
|
|
745
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
746
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
747
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
748
|
c1ccnc(c1)SCCn2cccn2
|
|
749
|
c1cc(sc1)C(=O)/C=C/2C(=O)NCCN2
|
|
750
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
751
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
752
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
753
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
754
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
755
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
756
|
c1ccc(cc1)S[C@@H]2CC(=O)[C@@H]3OC[C@H]2O3
|
|
757
|
Cc1c(c(n[nH]1)C)Sc2ccccc2
|
|
758
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
759
|
Cc1c(non1)c2ccnc3n2c(nn3)N
|
|
760
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
761
|
c1cnnc2c1c(c(s2)C(=O)N)N
|
|
762
|
c1cc(oc1)C2=NN3C(=N[C@H]4CCCC[C@H]4C35CCCCC5)N2
|
|
763
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
764
|
Cc1nc([nH]n1)Br
|
|
765
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
766
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
767
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
768
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
769
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
770
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
771
|
c1ccc(cc1)C2=C(OCCO2)c3ccccc3
|
|
772
|
CCSc1nncn1Cc2ccco2
|
|
773
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
774
|
CC1(CC2=N[C@@H](N=C2C(=O)C1)c3ccccc3)C
|
|
775
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
776
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
777
|
c1ccc2c(c1)c(=O)n(cn2)Cc3c(snn3)Cl
|
|
778
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
779
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
780
|
CC1CCC(CC1)S(=O)(=O)C2CN[NH]N2
|
|
781
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
782
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
783
|
c1ccc2c(c1)nn(n2)Cc3nc4ccccc4s3
|
|
784
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
785
|
CCOC(=O)Cc1[nH]ncn1
|
|
786
|
c1c2cn[nH]c2cnc1Cl
|
|
787
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
788
|
CSc1nnc(o1)Cn2cnc(c2Cl)Cl
|
|
789
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
790
|
CCCc1nc2c(o1)cccn2
|
|
791
|
c1ccc2c(c1)Cc3c[nH]cc3C2
|
|
792
|
C[C@@H]1C=C(N(C=N1)c2ccccc2)C
|
|
793
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
794
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
795
|
Cc1c(cno1)c2csc(n2)C
|
|
796
|
C1CCC(CC1)N2C3CCCCC3S(=O)(=O)N4C2NCC4
|
|
797
|
Cc1c(c2n(n1)C(CC(=N2)C)(C)C)c3ccccc3
|
|
798
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
799
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
800
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
801
|
c1ccc(cc1)Nn2cncn2
|
|
802
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
803
|
c1ccc2c(c1)C(=O)C(C2=O)(c3c([nH]c(=O)[nH]c3=O)[O-])O
|
|
804
|
CCCCO[C@@H](C)n1cnnc1
|
|
805
|
CC(C)(C)[C@@H]1COC(=N1)C(C)(C)C(=O)N[C@@H](CO)C(C)(C)C
|
|
806
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
807
|
c1nncn1NC(=O)CC#N
|
|
808
|
c1csc2c1ncnc2n3ccnc3
|
|
809
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
810
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
811
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@@H]4C=C[C@H]3[C@@H]5[C@@H]4C=C5
|
|
812
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
813
|
c1ccc(cc1)C(=O)/N=c/c(c(ss2)Cl)Cl
|
|
814
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
815
|
COc1cc(c(n1c2ccccc2)Oc3ccccc3)C#N
|
|
816
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
817
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
818
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
819
|
C1CCC2C(C1)C=CC23C(=O)C4CCCCC4C3=O
|
|
820
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
821
|
c1ccc(cc1)Cn2ccnn2
|
|
822
|
c1ccc2c(c1)Cc3cccnc3O2
|
|
823
|
Cc1c2cnc3ccccc3n2nn1
|
|
824
|
c1cc(ccc1C(=O)c2nnc(s2)Cl)Cl
|
|
825
|
c1ccc(cc1)[S@](=O)[C@H]2[C@H]3C[C@@H]([C@@H]2O)[C@H]4[C@H]3C=CC4
|
|
826
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
827
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
828
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
829
|
Cn1c2c(cnc(n2)c3cccnc3)c(=O)nc1[O-]
|
|
830
|
C1CCc2c(nc(nn2)N)C1
|
|
831
|
|
|
832
|
CCOC(=O)C1=C(Nn2cnnc2S1)C
|
|
833
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
834
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
835
|
CN(C)c1nnnn1c2cccnc2
|
|
836
|
c1ccc(cc1)C2=NC23c4ccccc4-c5c3cccc5
|
|
837
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
838
|
Cc1c(oc2c1c3nc(nn3cn2)c4cccnc4)C
|
|
839
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
840
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
841
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
842
|
CC1(Cc2c(c(sc2c3cc[nH]n3)SC)C(=O)C1)C
|
|
843
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
844
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
845
|
CCn1c(ccn1)[C@@H]2CCCN2C(=O)NCC(=O)OC
|
|
846
|
CNc1nc2c(s1)[C@@H](CC(=N2)O)c3ccccc3
|
|
847
|
C1Cc2c(n[nH]c2C(=O)[O-])C1
|
|
848
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
849
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
850
|
Cc1c2cc(ccc2[nH]n1)F
|
|
851
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
852
|
c1ccc(cc1)/C/2=[NH+]/CCNC(=O)c3c2cccc3
|
|
853
|
CCC1=C(C(=Nc2ccccc2N1)N)C(=O)OCC
|
|
854
|
Cc1c(c(on1)N)Sc2ccc(cc2)Br
|
|
855
|
Cc1c(c[nH]n1)c2ccccc2
|
|
856
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
857
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)NC2CC2)C#N
|
|
858
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
859
|
COC(=O)CCc1c[nH]cn1
|
|
860
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
861
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
862
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
863
|
c1ccc(cc1)S[C@@H]2CCc3c2cccc3
|
|
864
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
865
|
|
|
866
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
867
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
868
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
869
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
870
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
871
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
872
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
873
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
874
|
c1c(n(nn1)c2cncc(n2)Cl)CO
|
|
875
|
Cc1c(cco1)c2nnc(o2)N
|
|
876
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
877
|
Cc1ccoc1NC(=O)OC
|
|
878
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
879
|
Cc1cc(c(nn1)N)C(=O)N
|
|
880
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
881
|
CCOc1c(c([nH]n1)N)C#N
|
|
882
|
CCOC(=O)C1=C(Sc2ccccc2C1)NC(=O)C
|
|
883
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
884
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
885
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
886
|
c1ccc2c(c1)CCc3ccccc3NC2
|
|
887
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
888
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
889
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
890
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
891
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
892
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
893
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
894
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
895
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
896
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
897
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
898
|
Cc1c(c(nc(c1Cl)C)S(=O)(=O)n2ccnc2)C#N
|
|
899
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
900
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
901
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
902
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
903
|
CC1(C=C(c2cnccc2O1)N3CCCC3=O)C
|
|
904
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/Nc2cc(no2)C)[O-]
|
|
905
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
906
|
C1CCC2(CC1)CNC(=O)O2
|
|
907
|
c1ccc(cc1)CS(=O)(=O)n2ccnc2
|
|
908
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
909
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
910
|
CS(=O)(=O)Nn1cnnc1
|
|
911
|
CC(=CC[C@@H]1[C@@H](CCC1=O)c2cc(on2)Cc3ccccc3)C
|
|
912
|
C1NC([NH]N1)NC2=NCCO2
|
|
913
|
c1cc2c3ccnn3nnc2cc1Cl
|
|
914
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
915
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
916
|
c1c(snn1)N2CCOCC2
|
|
917
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(nnn3)N2)c4ccccc4
|
|
918
|
c1ccc-2c(c1)CCCn3c2nnn3
|
|
919
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
920
|
C1CC([NH]C1)C(=O)OCC#N
|
|
921
|
CN1CCCc2c1n(c3ccccc3c2=O)Cc4ccccc4
|
|
922
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
923
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
924
|
c1csc2c1c(ncn2)n3ccnc3
|
|
925
|
CCOC(=O)c1ns/c(=NCCCC#N)/n1C
|
|
926
|
COC(=O)c1c(c2c([nH]c1=O)scn2)[O-]
|
|
927
|
C=CCOC1CCNC(N1)N
|
|
928
|
|
|
929
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
930
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
931
|
COC(=O)Cc1cccnn1
|
|
932
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
933
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
934
|
CCC(=O)N1CCC(CC1)(c2c(nc(cn2)OC)OC)O
|
|
935
|
c1ccc(cc1)C2=C3[C@@H](CCC2)C(=O)C(=O)O3
|
|
936
|
c1cc(sc1)C2=C(C(=O)OC2)c3cccs3
|
|
937
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
938
|
Cn1c(c(c(=O)n1c2ccccc2)C3=NCCC3)N
|
|
939
|
c1ccc(cc1)[C@@]2(C=C(C(=O)O2)O)O
|
|
940
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
941
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
942
|
Cn1cc(cn1)c2cnccn2
|
|
943
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
944
|
CS(=O)(=O)NCc1cccs1
|
|
945
|
Cn1c(ccn1)C(=O)Nn2cnnc2
|
|
946
|
C1CCC(CC1)N2C3CCCCC3S(=O)(=O)N4C2=NCC4
|
|
947
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
948
|
CSc1c-2c(cs1)CCc3c2n[nH]c3
|
|
949
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
950
|
CC1(COC2CC(CC3C2N1NN3)N)C
|
|
951
|
c1cnc(cn1)c2nnc(o2)N
|
|
952
|
C[C@@]12CCC(=O)N1C3CNCNC3N2
|
|
953
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
954
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
955
|
C#Cc1ccc2c(c1)nccn2
|
|
956
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
957
|
C1CCC(CC1)C[C@@H]2C(=O)OCC(=N2)C3CCCS3
|
|
958
|
c1ccc(cc1)C2(NCCCO2)c3ccccc3
|
|
959
|
CC(=O)N1C[C@@H](C=C1c2ccccc2)c3ccccc3
|
|
960
|
Cn1c(=O)c(c(n(c1=O)C)Oc2cccnc2)C#N
|
|
961
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
962
|
Cc1cc(no1)CSc2nncs2
|
|
963
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
964
|
c1ccc2c(c1)Cc3ccccc3NC2
|
|
965
|
CC1=NC(NC(=O)N1C(C)C)(C(F)(F)F)C(F)(F)F
|
|
966
|
C1CCC(C1)c2nnc(o2)N
|
|
967
|
c1ccc(cc1)NC(=O)[C@@H]2Cc3c2cccc3
|
|
968
|
c1ccc2c(c1)C=C[C@H]3N2C[C@@H]4[C@@H]3[C@H]5CO[C@@H](C4=O)O5
|
|
969
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
970
|
c1ccc(cc1)NCCn2cccc2
|
|
971
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
972
|
Cn1c(=O)c2ccccc2nn1
|
|
973
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
974
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
975
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
976
|
c1cc(sc1)c2ccn[nH]2
|
|
977
|
CCN(c1ccccc1)C2=CC(=O)N[C@@H]3N2CCCC3
|
|
978
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
979
|
c1ccc2c(c1)Cc3cnc4ccccc4c3N2
|
|
980
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
981
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
982
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
983
|
|
|
984
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
985
|
c1ccc(cc1)S[C@@H]2[C@@H]3C=CC[C@@H]3C2=O
|
|
986
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
987
|
c1ccc(cc1)c2c([n+]3c4ccccc4sc3s2)O
|
|
988
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
989
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
990
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
991
|
c1cc(ccc1[C@@]2(CSc3n2c(=O)cc(c3)N)O)Cl
|
|
992
|
Cc1c2c(on1)COc3ccccc3C(=O)C2
|
|
993
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
994
|
CCNC(=O)Oc1c2ccccc2on1
|
|
995
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
996
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
997
|
c1ccc2c(c1)nc(c(=O)o2)N
|
|
998
|
c1ccc(cc1)SCn2cncn2
|
|
999
|
c1csc2c1C(=O)N[C@@H]3CCCCN3C2
|
|
1000
|
c1cc(cnc1)NCc2csnn2
|
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