(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
CN(C)c1nc(nc(n1)N)CN2CCNC(=O)C2
|
|
2
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
3
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
4
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
5
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
6
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
7
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
8
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
9
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
10
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
11
|
CN(C)c1nc(nc(n1)N)Cn2cc[nH+]c2
|
|
12
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
13
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
14
|
CC(=O)Nc1nnc(s1)Sc2cnccn2
|
|
15
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
16
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
17
|
Cc1cc(c(nn1)[O-])c2nc(cs2)C
|
|
18
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
19
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
20
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
21
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
22
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
23
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
24
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
25
|
CCnccn2c(/c1=Nc3ccccc3)nnn2
|
|
26
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
27
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
28
|
c1ccc(cc1)c2c3c(sn2)[C@@H](CC(=N3)O)c4ccccc4
|
|
29
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
30
|
Cc1c(c(no1)c2ccccc2)c3ccn[nH]3
|
|
31
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
32
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
33
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
34
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
35
|
CCc1nnnn1Cc2nc(nc(n2)N(C)C)N
|
|
36
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
37
|
c1ccc(cc1)[C@H]2C[C@](N=C(N2)N)(C(F)(F)F)O
|
|
38
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
39
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
40
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
41
|
c1cnnc(n1)c2nccnn2
|
|
42
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
43
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
44
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
45
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
46
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
47
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
48
|
c1ccc(cc1)n2c(nnn2)n3ccnc3
|
|
49
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
50
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
51
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
52
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
53
|
|
|
54
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
55
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
56
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
57
|
c1cc(nnc1n2cnnn2)Cl
|
|
58
|
|
|
59
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
60
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
61
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
62
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
63
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
64
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
65
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
66
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
67
|
C1Cc2c(nc(nc2c3c4c(nc(n3)N)CCC4)N)C1
|
|
68
|
Cc1cnc(nc1c2ncnn2C)N
|
|
69
|
Cc1cn2c(nc(nc2n1)c3ccccc3)N
|
|
70
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
71
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
72
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
73
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
74
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
75
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
76
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
77
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
78
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
79
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
80
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
81
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
82
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
83
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
84
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
85
|
CNc1cnnc2c1cccc2
|
|
86
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
87
|
c1ccc(cc1)c2nc(c3n2CCCCC3)C(=O)[O-]
|
|
88
|
Cc1nccn1c2c(cnc(n2)N3CCOCC3)F
|
|
89
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
90
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
91
|
c1ccc2c(c1)-n3cnnc3CCS2
|
|
92
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
93
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
94
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
95
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
96
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
97
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
98
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
99
|
|
|
100
|
c1ccc2c(c1)nnn2c3cnccn3
|
|
101
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
102
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
103
|
C1Cc2c3c(nnc4c3c(nn2)CCC4)C1
|
|
104
|
Cc1n[nH]c(=O)n1Cn2c(n[nH]c2=O)C
|
|
105
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
106
|
C12C(NC(S1)C(=O)[O-])SC(N2)C(=O)[O-]
|
|
107
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
108
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
109
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
110
|
|
|
111
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
112
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
113
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
114
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
115
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
116
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
117
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
118
|
CCOC(=O)c1c2c(c(s1)C)c(nnn2)[O-]
|
|
119
|
c1ccc(cc1)n2c(nnn2)n3c4ccccc4nn3
|
|
120
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
121
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
122
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
123
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
124
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
125
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
126
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
127
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
128
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
129
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
130
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
131
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
132
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
133
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
134
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
135
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
136
|
CCn1cncc1c2nnc3n2cccc3Cl
|
|
137
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
138
|
CC1NC(ON1)C2CNCCN2
|
|
139
|
c1ccc(c(c1)C2=N/C(=Cc3ccco3)/C(=N2)O)Br
|
|
140
|
c1ccc2c(c1)nc3c(c(oc3n2)N4CCCC4)C#N
|
|
141
|
CN(c1ccc(cc1)OC)c2c3c(ccn2)ccs3
|
|
142
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
143
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
144
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
145
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
146
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
147
|
c1cc(oc1C#CC(=O)[O-])Br
|
|
148
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
149
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
150
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
151
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
152
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
153
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
154
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
155
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
156
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4s3
|
|
157
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
158
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
159
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
160
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
161
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
162
|
c1cc(cnc1)C(=O)c2ccco2
|
|
163
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
164
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
165
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
166
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
167
|
c1cc(sc1)C(=O)n2cnnc2N
|
|
168
|
c1cc(cnc1)NCc2csnn2
|
|
169
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
170
|
Cc1c(c(on1)C)COn2c3cc(ccc3nn2)C(F)(F)F
|
|
171
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
172
|
Cc1ccc(c(c1)C)c2cc3n(c2)nc(n3N)C
|
|
173
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
174
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
175
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
176
|
c1ccc2c(c1)-c3nncn3-c4ccccc4S2
|
|
177
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
178
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
179
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
180
|
c1ccc(cc1)c2c(=O)c3c(n4c2OCC4)CCC3
|
|
181
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
182
|
c1cnc(nc1c2nccs2)N
|
|
183
|
c1ccnc(c1)CCSc2nncs2
|
|
184
|
Cc1csc(n1)c2cn[nH]c2N
|
|
185
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
186
|
c1ccn(c1)c2ccnc(n2)c3cccnc3
|
|
187
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
188
|
CN(C)c1nnnn1c2cccnc2
|
|
189
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
190
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
191
|
Cn1ccnc1CSc2nncn2C3CC3
|
|
192
|
CCn1cc2c(n1)c(=O)n(nn2)C3CCCCC3
|
|
193
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
194
|
Cc1c(cn(n1)C)n2cnnn2
|
|
195
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
196
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
197
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
198
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
199
|
Cc1csc(n1)Sc2csc(n2)Cl
|
|
200
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
201
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
202
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
203
|
CCOc1cc(no1)Oc2ccccc2
|
|
204
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
205
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
206
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
207
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
208
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
209
|
c1cc2c(c3c1nncc3)non2
|
|
210
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
211
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
212
|
Cn1c(nnn1)c2ccco2
|
|
213
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
214
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
215
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
216
|
Cc1cc(no1)CSc2nncs2
|
|
217
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
218
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
219
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
220
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
221
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
222
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
223
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
224
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
225
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
226
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
227
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
228
|
Cc1c2cnnc(n2cn1)Nc3cccnc3
|
|
229
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
230
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
231
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
232
|
Cc1nnc(s1)Sc2cc(nc(n2)N)Cl
|
|
233
|
COc1ccccc1/N=c/2cccccc2O
|
|
234
|
c1ccc(cc1)c2c3c(c(=O)[nH]n2)NC(=O)N[C@@H]3c4ccccc4
|
|
235
|
|
|
236
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
237
|
c1csc(n1)S(=O)(=O)Cc2nnnn2C3CC3
|
|
238
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
239
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
240
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
241
|
C1CCC(CC1)C2C(=O)OC(=O)[NH]N2
|
|
242
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
243
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
244
|
c1ccc2c(c1)nc(c3n2nnn3)Nc4ccccc4O
|
|
245
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
246
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3c(noc3C)C
|
|
247
|
c1ccc(cc1)C(=O)NC2=NC(=O)C[C@@H]3N2CCNC3=O
|
|
248
|
CCC1=C([C@@H](C(=O)N=C1C)N)OC2C[C@@H](C[C@@H](C2)C)C
|
|
249
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
250
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
251
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
252
|
C[C@@]12CCC(=O)N1C3CNCNC3N2
|
|
253
|
|
|
254
|
c1cc2c(cc1Cl)ncn3c2nn(c3=O)CC(=O)N
|
|
255
|
c1ccc(cc1)Oc2nc3ccc(nn3c(=O)n2)Cl
|
|
256
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
257
|
C=CCSc1nccn1c2ccccc2
|
|
258
|
CSc1nccc(n1)c2cnoc2
|
|
259
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
260
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
261
|
|
|
262
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
263
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
264
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
265
|
c1cc(oc1)c2ccnc3n2ncc3
|
|
266
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
267
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
268
|
Cc1cc2c(o1)ccc3c2non3
|
|
269
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
270
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
271
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
272
|
c1cc2nnc(n2cc1C(F)(F)F)c3nccs3
|
|
273
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
274
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2ncn3c4ccccc4)O
|
|
275
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
276
|
CCCc1nncn1NC(=O)OCC
|
|
277
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
278
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
279
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
280
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
281
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
282
|
Cc1cccc2c1Oc3c(c(nn3c4ccccc4)N)C2
|
|
283
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
284
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
285
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
286
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
287
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
288
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
289
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
290
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
291
|
CC(=O)c1csc(n1)c2ccno2
|
|
292
|
CNc1nnc(s1)Sc2nnc(s2)NC
|
|
293
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
294
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
295
|
C/C=C/c1nnnn1[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
296
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
297
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
298
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
299
|
Cc1csc(n1)C[C@@](c2nccn2C)(C(F)(F)F)O
|
|
300
|
c1ccc2c(c1)nc3=c4ccc(cc4=c3n2)Cl
|
|
301
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
302
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
303
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
304
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
305
|
Cc1c2c(on1)CCOC(=O)N2
|
|
306
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
307
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
308
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
309
|
c1cc(c(cc1n2c(=O)cc3n(c2=O)CCNC3=O)Cl)Cl
|
|
310
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
311
|
Cc1c(nnn1c2ccccc2)S(=O)(=O)c3ccccc3
|
|
312
|
CN1C2CCCCC2S(=O)(=O)N3C1NNC3CC4CCCCC4
|
|
313
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
314
|
Cc1nc(nn1c2[n-]cnn2)C(=O)[O-]
|
|
315
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
316
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
317
|
c1cnn(c1)c2cncc(n2)Cl
|
|
318
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
319
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
320
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
321
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
322
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
323
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
324
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
325
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
326
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
327
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
328
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
329
|
C[S@@](=O)c1ccc(nn1)n2cccc2
|
|
330
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
331
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
332
|
CCC(=O)OC1=C[C@@H]2[C@@H](C=C1)N(C(=C2C(=O)OCC)C)C
|
|
333
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
334
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
335
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
336
|
c1ccc(cc1)Oc2nc3ccccn3c(=O)n2
|
|
337
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
338
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
339
|
CC1(Cc2cc(ccc2CO1)S(=O)(=O)Nc3ccccc3)C
|
|
340
|
C1c2nnnn2Cc3n1nnn3
|
|
341
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
342
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
343
|
c1cc(ccc1N)Sc2nncs2
|
|
344
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
345
|
c1cc(ccc1[C@@H](c2c(nc3nnc(n3n2)N)[O-])C(=O)[O-])Cl
|
|
346
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
347
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
348
|
Cc1c(c(=O)[nH]c(n1)[O-])S(=O)(=O)CCC(=O)[O-]
|
|
349
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
350
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
351
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
352
|
CC(=O)OCc1c2n(nn1)CCC2
|
|
353
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
354
|
c1ccc2c(c1)nc(c3n2cnn3)Nc4cc(ccc4O)Cl
|
|
355
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
356
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
357
|
CCCCc1c2c(n[nH]1)CC(CC2=O)(C)C
|
|
358
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
359
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
360
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
361
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
362
|
Cc1c(c-2c(cn1)COc3c2cccc3)C#N
|
|
363
|
c1ccc2c(c1)nnn2c3nc4ccccc4s3
|
|
364
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
365
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
366
|
|
|
367
|
COC(=O)CC1=C(NC(=NC1)N2CCCC2)O
|
|
368
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
369
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
370
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
371
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
372
|
CC1(Oc2cc(oc(=O)c2C(=O)O1)N3CCOCC3)C
|
|
373
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
374
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
375
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
376
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
377
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
378
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
379
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
380
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
381
|
CC1=[NH+][C@](C[C@H](N1)c2ccccc2)(C(F)(F)F)O
|
|
382
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
383
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
384
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
385
|
c1ccc2c(c1)nnn2c3ccco3
|
|
386
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
387
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
388
|
CC(=O)N1C[C@@H]2CC[C@@]([C@@H]2C1)(c3cccc(c3)OC)O
|
|
389
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
390
|
Cn1c2ccccc2n(c(=O)c1=O)Cc3ccon3
|
|
391
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
392
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
393
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
394
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
395
|
c1ccc(cc1)[N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O
|
|
396
|
Cc1csc(n1)c2nnc(o2)N
|
|
397
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
398
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
399
|
CC1CCCC(N1)C2[N-]NNN2
|
|
400
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
401
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
402
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
403
|
c1ccc(cc1)[C@@H]2Cn3c(nnn3)-c4ccccc4O2
|
|
404
|
c1c[nH]nc1c2nccs2
|
|
405
|
c1cc2cn[nH]c2c(c1)S(=O)(=O)[O-]
|
|
406
|
c1ccc2c(c1)c(=O)c(=N[C@@H]3[C@@H](c4ccccc4C3=O)O)c2=O
|
|
407
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
408
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
409
|
c1cc(sc1)[C@@H]2CC(=O)Nc3c2cn[nH]3
|
|
410
|
Cc1c(non1)c2[n-]nnn2
|
|
411
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
412
|
CCn1c2ccccc2n3c1nnc3c4cc(nn4C)C
|
|
413
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
414
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
415
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
416
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
417
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
418
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
419
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
420
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
421
|
Cc1c(non1)COc2ccc(cc2)C(=O)[O-]
|
|
422
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
423
|
CC1=C(C(=O)NC2=NNC(=O)[C@@H]12)CCC(=O)[O-]
|
|
424
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
425
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
426
|
c1cnn(c1)CCSc2nncs2
|
|
427
|
Cc1cc(nc2c1c(on2)N)C
|
|
428
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
429
|
|
|
430
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
431
|
|
|
432
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
433
|
Cc1csc(n1)c2c(non2)N
|
|
434
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(o3)Br
|
|
435
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
436
|
CCn1c2c(c(n1)C)NC(=O)CNC2=O
|
|
437
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
438
|
Cc1cc(nc(n1)Sc2c(c(nc(c2F)F)F)F)C
|
|
439
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
440
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
441
|
c1ccc2c(c1)/C(=N/c3ccccn3)/C(=O)N2
|
|
442
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
443
|
Cc1c(nn(n1)c2ccccc2)c3nnc(o3)[O-]
|
|
444
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
445
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
446
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
447
|
CC1CC(N(N1)C2C3CCCCC3SN2)C
|
|
448
|
Cc1cc(no1)c2c(c(no2)C)c3nc(on3)C
|
|
449
|
C1CCC(CC1)n2c(=O)c3c([nH]c2=O)C=CC3
|
|
450
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
451
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
452
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
453
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
454
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
455
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
456
|
C1=C/C/2=C/C(=O)NC=CC=C/C3=C/C(=O)N2C=C1
|
|
457
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
458
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
459
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
460
|
CC(C)Oc1c(c(=O)c1=O)c2ccco2
|
|
461
|
Cc1cc(nc(n1)C)n2c3ccccc3nn2
|
|
462
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
463
|
c1ccc(cc1)N=c2c(=O)c3ccccc3c2=O
|
|
464
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
465
|
[H]/N=c/n(c(c(s1)C2=c3ccccc3=NC2=O)O)C
|
|
466
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
467
|
c1cc(ncc1C#N)Sc2nnc(o2)C3CC3
|
|
468
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
469
|
COC1CCC(CC1)/C=C/2C(=C)[NH]N(C2=O)CC3CCCCC3
|
|
470
|
c1ccc-2c(c1)Cn3c2nnn3
|
|
471
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
472
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
473
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
474
|
Cc1cc-2n(n1)C(C(=O)Nc3c2cc(cc3)Cl)(C)C
|
|
475
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
476
|
COc1ccc(cc1)c2nc(c(=O)[nH]n2)Cc3ccco3
|
|
477
|
CCn1cc(c(n1)C)c2nnc(n2C)SC
|
|
478
|
c1ccc(cc1)N[C@@H](c2ccco2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
479
|
Cc1c(c2c(o1)c(c(c(c2F)F)F)F)c3nc(on3)C(C)(C)C
|
|
480
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
481
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
482
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
483
|
Cc1ccc(c(c1)C)C(=O)Cc2c(=O)sc3ccccc3n2
|
|
484
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
485
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
486
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
487
|
CS(=O)(=O)Oc1nnc2n1nc(s2)OS(=O)(=O)C
|
|
488
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
489
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
490
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
491
|
c1cc2c(nc1)S[C@@H]3c4cccnc4S[C@H]2O3
|
|
492
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
493
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
494
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
495
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
496
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
497
|
c1nnc2n1nc3c(c2[O-])CCC3
|
|
498
|
c1cc(cnc1)c2cc3c([nH]nc3NC(=O)C4CC4)nn2
|
|
499
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
500
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
501
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
502
|
c1cc(sc1)C(=O)c2ccc(nn2)Cl
|
|
503
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
504
|
Cc1c(nnn1c2cc(cnc2C#N)C(F)(F)F)C(=O)C
|
|
505
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
506
|
CCOC1CNNN1C2CCN(CC2)C(=O)OCC
|
|
507
|
CC1NC2C(NCNC2NN1)N
|
|
508
|
CCc1ccc(s1)Nc2ncnc(n2)Cl
|
|
509
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
510
|
c1ccnc(c1)SCCn2cccn2
|
|
511
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
512
|
|
|
513
|
CC(=O)NC1CCC2C(C1)NCNN2
|
|
514
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
515
|
[H]/[O+]=C(/C)N=c/ccc(nn1[O-])Cl
|
|
516
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
517
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
518
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
519
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
520
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
521
|
|
|
522
|
CCCNC(=O)Cc1nc[nH]n1
|
|
523
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
524
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
525
|
c1ccc(cc1)c2c3c(n[nH]2)CC[NH2+]C3
|
|
526
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
527
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
528
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
529
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
530
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
531
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
532
|
|
|
533
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
534
|
Cc1coc2n1cc(n2)c3ccc(cc3)Cl
|
|
535
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
536
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
537
|
CN(C)c1nc(=O)n2c(n1)SCC2
|
|
538
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
539
|
C1CCC2C(C1)C(NO2)C[S@@](=N)(=O)[O-]
|
|
540
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
541
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
542
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
543
|
CC(=O)c1ccc2nnnn2c1
|
|
544
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
545
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
546
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
547
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
548
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
549
|
|
|
550
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
551
|
c1cnccc1[C@@H]2CCC=CC2
|
|
552
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
553
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
554
|
CC1(CC2C(OC(NC2=O)N(C)C)C1)C
|
|
555
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
556
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
557
|
|
|
558
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
559
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
560
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
561
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
562
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
563
|
C[C@@H](C(=O)C1=N[C@@H]2C(=[NH+]C1)NC(=NC2=O)[NH-])[O-]
|
|
564
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
565
|
COC(=O)c1c(non1)n2cccc2
|
|
566
|
CC(C)(C)C1NNNN1CN2CCN(CC2)S(=O)(=O)C
|
|
567
|
CC1=NN(C(=O)C1)C(=O)c2ccc(cc2)O
|
|
568
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
569
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
570
|
COc1ccccc1C/C=C/c2cccs2
|
|
571
|
CCNC(=O)Oc1c2ccccc2on1
|
|
572
|
Cc1c(non1)c2ccnc3n2c(nn3)N
|
|
573
|
c1cn(c(n1)CN(Cc2nnnn2C3CC3)C4CC4)C(F)F
|
|
574
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
575
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
576
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
577
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
578
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
579
|
c1ccc(cc1)Oc2nc3cnccn3c(=O)n2
|
|
580
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
581
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
582
|
c1c(c(n2c(n1)ncn2)[O-])n3cncn3
|
|
583
|
Cc1c2c(c(nn1)[O-])n[nH]n2
|
|
584
|
Cc1ccsc1/C(=N/c2n[nH]nn2)/[O-]
|
|
585
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
586
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
587
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
588
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
589
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
590
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
591
|
C1NC2C(C(N1)N)NCNC2N
|
|
592
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
593
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
594
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
595
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
596
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
597
|
Cc1c(cno1)c2csc(n2)C
|
|
598
|
c1ccc(cc1)COc2c(nccn2)N
|
|
599
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
600
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
601
|
|
|
602
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
603
|
Cc1cc(no1)c2nn3cnnc3s2
|
|
604
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
605
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
606
|
CSc1c(=O)nc(sn1)Nc2ccccc2
|
|
607
|
Cc1ncc(s1)CN(C)Cc2nnnn2C3CC3
|
|
608
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
609
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
610
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
611
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
612
|
|
|
613
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
614
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
615
|
|
|
616
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
617
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
618
|
Cc1c2c(nc(oc2=O)c3ccccc3Cl)on1
|
|
619
|
Cc1cc(n(n1)c2c(nc[nH]2)C(=O)NC)C
|
|
620
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
621
|
c1ccc2c(c1)[C@@H](OC2=O)c3c(c(=O)cc(o3)CO)O
|
|
622
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
623
|
|
|
624
|
Cc1csc(n1)c2c(nc3n2ccs3)C
|
|
625
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
626
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
627
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
628
|
Cc1c(c2c(o1)[C@@H]3CCCC[C@@H]3OC2=O)c4ccccc4
|
|
629
|
Cc1c2c(oc(c2c(nn1)C)C)C
|
|
630
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
631
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
632
|
CCOc1cc2c(cc1F)nnc(n2)C
|
|
633
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
634
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
635
|
CC(=O)/N=c/c(nn(s1)C(=O)C)C(=O)N
|
|
636
|
Cc1nnc(s1)[C@@H]2CCCN(C2)C(=O)C
|
|
637
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
638
|
Cc1ncc(s1)CN(C)Cn2c(=O)oc(n2)c3ccccc3
|
|
639
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
640
|
CCSc1ncnc(n1)N
|
|
641
|
CS(=O)(=O)/N=C(/c1ccc(nc1)C(=O)[O-])[O-]
|
|
642
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
643
|
c1cc(oc1)c2cnnn2c3ccc(cc3)N
|
|
644
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
645
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
646
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
647
|
CCCn1c(n[nH]c1=O)c2cccs2
|
|
648
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
649
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
650
|
Cc1cc(nc(n1)Nn2c(cc(c(c2=O)C(=O)C)[O-])C)C
|
|
651
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
652
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
653
|
Cc1cc(nc2c1c(c(o2)C(=O)C)N)C
|
|
654
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
655
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
656
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
657
|
Cc1cc(c2nncn2n1)n3cc(c(=O)[nH]c3=O)F
|
|
658
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
659
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
660
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
661
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
662
|
|
|
663
|
|
|
664
|
c1ccn(c1)c2ccc(nn2)Cl
|
|
665
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
666
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
667
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
668
|
Cc1csc(n1)c2cn(c(=O)[nH]c2=O)C
|
|
669
|
CC1C2C(NNC1NC(=O)C)C[C@@H](C2)C(=C)C
|
|
670
|
c1cc(nnc1n2cncn2)[O-]
|
|
671
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
672
|
c1ccc(cc1)Cn2c(nnc2Cl)C3CC3
|
|
673
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
674
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
675
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
676
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
677
|
C(#N)c1c(n2c(c(nnc2n1)C(=O)N)N)C#N
|
|
678
|
c1conc1c2c(nco2)C(=O)[O-]
|
|
679
|
c1cnnc2c1-c3c(non3)CC2
|
|
680
|
CC(=O)C1C2C(NC(N1)C(=O)C)N(CN2)C(=O)C
|
|
681
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
682
|
c1ccc(cc1)COc2c(non2)N
|
|
683
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
684
|
CCOC(=O)c1c2n(cn1)C(OC2=O)(C)C
|
|
685
|
Cc1c(nnc2c1c(n[nH]2)N)C
|
|
686
|
c1ccc(cc1)c2cn(c(=O)o2)c3ccccc3
|
|
687
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
688
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
689
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
690
|
Cc1c(c(on1)C)Cn2nc(nn2)c3ccco3
|
|
691
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
692
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
693
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
694
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
695
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
696
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
697
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
698
|
Cc1[nH]cc(n1)c2ccccc2
|
|
699
|
c1csc(c1Cl)c2c[nH]c(c2C#N)N
|
|
700
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
701
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
702
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
703
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
704
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
705
|
|
|
706
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
707
|
c1ccc2c(c1)[C@@]3(C(=O)N2)N=C(NC(=N3)N4CCOCC4)N
|
|
708
|
Cc1cc2ncc(cn2n1)C#N
|
|
709
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
710
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
711
|
CSC1NC2C(S1)NC(OC2=O)C3CCCCC3
|
|
712
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
713
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
714
|
C[C@@H]1C=C([C@H]2C(=N[NH+]=C2N1)c3ccccc3)C
|
|
715
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
716
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
717
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
718
|
CCOc1nnc(o1)[N-]S(=O)(=O)c2ccc(cc2)N
|
|
719
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
720
|
Cc1c(c2nnc3c(n2n1)csc3NC(=O)C)c4ccccc4
|
|
721
|
Cc1nc(c(o1)Sc2ccc(cc2)Cl)C#N
|
|
722
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
723
|
|
|
724
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
725
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
726
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
727
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
728
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
729
|
c1ccc(cc1)n2c(=O)c-3c4n(nnc3n2)CCC4
|
|
730
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
731
|
CC1=C(NC(=O)[C@@H](NC1=O)c2ccccc2)C
|
|
732
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
733
|
c1cnc(cn1)NC2=NCCN2
|
|
734
|
CNc1c(ncnn1)C(=O)[O-]
|
|
735
|
c1c(nc(cn1)Cl)n2cncn2
|
|
736
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
737
|
CC(=O)Nc1c2c(cs1)c(c(nc2SC)O)C#N
|
|
738
|
Cc1c(c(on1)C)Cn2ccccc2=O
|
|
739
|
CCOC(=O)c1c(c2c(snc2s1)C)N
|
|
740
|
CN(C)/C=C/C(=O)N=C(S1)/C=C(/c2cccs2)[O-]
|
|
741
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
742
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
743
|
|
|
744
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
745
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
746
|
CCOC1CCCC2N1CNN2
|
|
747
|
c1cc(oc1)c2ccc(nc2)C#N
|
|
748
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
749
|
CC(=O)NC1=N[C@@]2([C@@H](c3ccccc3[C@@]2(N1)O)O)O
|
|
750
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
751
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
752
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
753
|
CCc1ccc(cc1)N2C(=O)CC(=O)N=C2O
|
|
754
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
755
|
CSC1C2C(CCN1)N[NH]N2
|
|
756
|
Cc1nnc2n1nc(n2c3ccccc3)[O-]
|
|
757
|
Cc1csc(n1)c2c(nns2)C
|
|
758
|
c1cc(sc1)c2c(n[n-]n2)C#N
|
|
759
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
760
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
761
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
762
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
763
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
764
|
Cc1csc(n1)Sc2nc(ns2)Cl
|
|
765
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
766
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
767
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
768
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
769
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
770
|
CC(=O)Nc1cc2cccnc2sc1=O
|
|
771
|
Cc1cc(no1)c2nnc(o2)N
|
|
772
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
773
|
c1ccc(cc1)n2c(=O)n3n(c2=O)[C@H]4[C@H]5[C@@H]3[C@@H](O4)c6c5cccc6
|
|
774
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
775
|
COc1ccc(cc1)n2c(=O)c(c3c(n2)NC(=O)C3)C#N
|
|
776
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
777
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
778
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
779
|
Cc1/c(=N/S(=O)(=O)c2ccccc2)/ssc1Cl
|
|
780
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
781
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
782
|
CCn1c2c(con2)c(=O)[nH]c1=O
|
|
783
|
c1ccc(cc1)c2cc3c(nccn3n2)Cl
|
|
784
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
785
|
CCc1c2cc3c(cc2no1)OCCO3
|
|
786
|
c1cc(sc1)c2c(c(oc2c3cccs3)N)C#N
|
|
787
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
788
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
789
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
790
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
791
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
792
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
793
|
Cc1cc(n(n1)c2nc(c(nn2)C)[O-])C
|
|
794
|
c1ccc(cc1)c2cc(=O)on2S(=O)(=O)c3ccccc3
|
|
795
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
796
|
CN1CCOc2c1cnn(c2=O)CCO
|
|
797
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
798
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
799
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
800
|
C1=C([NH2+]c2nnc(n2N=C1C(F)(F)F)N)[O-]
|
|
801
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
802
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
803
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
804
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
805
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
806
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
807
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
808
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
809
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
810
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
811
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
812
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
813
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
814
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
815
|
CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
|
|
816
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
817
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
818
|
|
|
819
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
820
|
c1c(c(on1)C2CC2)C(=O)[O-]
|
|
821
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
822
|
C1CCC(CC1)C(=O)[C@@H]2C=C[C@@](O2)(C#N)C3CCCCC3
|
|
823
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
824
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
825
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
826
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
827
|
|
|
828
|
c1ccc(cc1)n2c(noc2=O)c3cccnc3
|
|
829
|
C1CCN(C1)c2c(nns2)CO
|
|
830
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
831
|
c1csc(c1n2cnnn2)C(=O)[O-]
|
|
832
|
Cc1c(cc(o1)c2ccno2)S(=O)(=O)NC
|
|
833
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
834
|
Cc1ccc(cc1)S(=O)(=O)n2c(cnn2)C
|
|
835
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
836
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
837
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
838
|
CC1NC(ON1)CC2CCCS2
|
|
839
|
c1ccc(cc1)c2nn3c(=O)c4ccccc4nc3o2
|
|
840
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
841
|
CNC(=O)N(c1ccccc1)C2=NCCCCC2
|
|
842
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
843
|
c1ccc(cc1)[C@@H]2CC(=Nc3c2sc(n3)N4CCCCC4)O
|
|
844
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
845
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
846
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
847
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
848
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
849
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
850
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
851
|
c1ccc(cc1)c2cc3n(c2)c4ccccc4n3N
|
|
852
|
Cn1cnc2c(c1=O)noc2C(=O)c3ccccc3
|
|
853
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
854
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
855
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
856
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
857
|
C=CCN(Cc1nccn1C(F)F)C2CC2
|
|
858
|
CCCOn1c(nnn1)c2ccccc2
|
|
859
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
860
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
861
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
862
|
Cc1cc(n(n1)c2nc(nc(n2)N)C)C
|
|
863
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
864
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
865
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
866
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
867
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
868
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
869
|
C1CSCC1CC2=NCCC3C2SCC3
|
|
870
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
871
|
COc1ccccc1Oc2c(=O)[nH]c(nc2[O-])c3ncccn3
|
|
872
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
873
|
COC(=O)c1csc2c1nns2
|
|
874
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
875
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
876
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
877
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
878
|
C=CCNC1CCNC(N1)N
|
|
879
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
880
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
881
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
882
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
883
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
884
|
C1CCN(C1)S(=O)(=O)c2c(nc(nn2)[O-])[O-]
|
|
885
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
886
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
887
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
888
|
c1ccc2c(c1)[C@@H](C(=O)N2)[C@@H]3C(=O)Nc4ccccc4S3
|
|
889
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
890
|
Cc1nnnn1C2CCCCC2
|
|
891
|
c1ccc(cc1)C2=C(C(=O)N3[C@@H]2CCC3)O
|
|
892
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
893
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
894
|
C[C@@H]1Cc2c3c(cccc3N1)ncn2
|
|
895
|
c1nc(c2c(n1)scn2)N
|
|
896
|
CN(Cc1ccc(cc1)C#N)Cn2cc(cn2)Cl
|
|
897
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
898
|
Cc1c2c([nH]n1)NC3=C([C@@H]2C)C(=O)OC3
|
|
899
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
900
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
901
|
Cc1cc(no1)n2c(c[nH]c2=O)C
|
|
902
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
903
|
CSc1/c(=CN)/n2cnnc2n1
|
|
904
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
905
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
906
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
907
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
908
|
C1COCCN1c2nnc(o2)N
|
|
909
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
910
|
CCSc1nncn1Cc2ccco2
|
|
911
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
912
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
913
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
914
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
915
|
CC(C)n1c2c(nn1)CCCC2
|
|
916
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
917
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
918
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
919
|
CCCC1=C([C@@H](n2c(ncn2)N1)C)C(=O)OCC
|
|
920
|
c1cc(oc1)c2nnc3n2nc(cc3)Cl
|
|
921
|
COc1cc(=O)nc(o1)c2ccco2
|
|
922
|
CN1c2cnc(nc2-c3c(ccs3)S1(=O)=O)N
|
|
923
|
CCc1[nH]c(c2c(n1)nn3c2nnc(c3=O)C(C)(C)C)[O-]
|
|
924
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
925
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
926
|
CCOC(=O)/C=C/1C2NNNN2-C3CCCCC3N1
|
|
927
|
c1ccc(cc1)c2nnnn2C3(CCCCC3)n4cccn4
|
|
928
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
929
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
930
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
931
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
932
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
933
|
c1cc(c(cc1F)c2c(nc3n(c2=O)CCCC3)[O-])F
|
|
934
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
935
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
936
|
CC(=O)OC1C2C(C(NN1)[O-])SCCS2
|
|
937
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
938
|
c1cc(oc1)Cn2c(ccn2)N
|
|
939
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
940
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
941
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
942
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
943
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
944
|
|
|
945
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
946
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
947
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
948
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
949
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
950
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
951
|
Cc1ccc(cc1)S(=O)(=O)Cn2cnnn2
|
|
952
|
c1coc2c1-c3c(cnc(n3)N)CC2
|
|
953
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
954
|
CCSc1cc(ncn1)N
|
|
955
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
956
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
957
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
958
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
959
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
960
|
c1c(c([nH]n1)N)C2=CCCCC2
|
|
961
|
c1ccc(cc1)c2nncnn2
|
|
962
|
Cc1nccc(n1)Sc2ccccc2
|
|
963
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
964
|
CCC1NN2C(=O)NC(NC2S1)SC
|
|
965
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2cccn2C)[O-]
|
|
966
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
967
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
968
|
CCOC(=O)/N=c/1ccccn1[O-]
|
|
969
|
CC1=CC(NC(=O)N1c2ccccc2)(C)C
|
|
970
|
COc1cccc(c1)S(=O)(=O)[C@@H]2CC=NC2
|
|
971
|
Cc1cc(no1)CSc2ccccn2
|
|
972
|
c1ccc2c(c1)nnn2CF
|
|
973
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
974
|
Cc1c2c([nH]n1)CCOC(=O)N2
|
|
975
|
COc1ccc(cc1)C2=NNC(=C3C(=NN=C3N)N)O2
|
|
976
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
977
|
CCCCc1ncc(n1C(=O)C)COC(=O)C
|
|
978
|
c1ccc(cc1)c2ccncn2
|
|
979
|
CCCCCCC1CN[NH]N1
|
|
980
|
Cc1cc(n(n1)c2nc(cc3n2ncn3)N)C
|
|
981
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
982
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
983
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
984
|
Cc1nc(nc(n1)N)c2ccccc2
|
|
985
|
Cc1c(c(on1)N)Sc2ccc(cc2)Br
|
|
986
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
987
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
988
|
CCN1CCC2C1NCNC2N
|
|
989
|
Cc1c2c(cc(c(=O)o2)NC(=O)C)c(cn1)CO
|
|
990
|
CC1=CC(=NC2=NNC(=O)[C@@H]12)C(=O)[O-]
|
|
991
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
992
|
CCCCc1[nH]cc([nH+]1)CO
|
|
993
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
994
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
995
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
996
|
c1cc(ccc1N)Oc2nccs2
|
|
997
|
Cn1c(nnn1)SCC#C
|
|
998
|
c1ccc(cc1)S(=O)(=O)[N-]c2c3ccccc3oc2C#N
|
|
999
|
Cc1c2cc(ccc2[nH]n1)F
|
|
1000
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
Mouse click action: | Basic controls: | |||||||
---|---|---|---|---|---|---|---|---|
Left-Click to rotate Shift-Left-Click up & down to zoom Right-Click for Jmol's context menu | ||||||||
Jmol: an open-source Java viewer for chemical structures in 3D.http://www.jmol.org/ | ||||||||