(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
2
|
Cn1c(=O)c(c(cn1)[C@@H](C#N)c2[nH]c3ccccc3n2)Cl
|
|
3
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
4
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
5
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
6
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
7
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
8
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
9
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
10
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
11
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
12
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
13
|
c1ccc(cc1)n2nc3c(n2)-c4c(non4)CC3
|
|
14
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
15
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
16
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
17
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
18
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
19
|
c1ccc2c(c1)[nH]c(n2)Nc3nc(nc(n3)[O-])CC#N
|
|
20
|
|
|
21
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
22
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
23
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
24
|
CN(C)C(=O)n1c(nnn1)Cc2ccc(cc2)c3ccccc3
|
|
25
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
26
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
27
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
28
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
29
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
30
|
CC(=O)c1c(nn(n1)c2ccc(cc2)F)Nc3ccc(nc3)OC
|
|
31
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
32
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
33
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
34
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
35
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
36
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
37
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
38
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
39
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
40
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
41
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
42
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
43
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
44
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
45
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
46
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
47
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
48
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
49
|
c1ccc(cc1)c2nnnn2SCC(=O)c3ccccc3
|
|
50
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
51
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
52
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
53
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
54
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
55
|
C=C1/C(=CNC2CCCCC2)/C(=O)N([NH]1)C3CCCCC3
|
|
56
|
|
|
57
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
58
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
59
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
60
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
61
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
62
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
63
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
64
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
65
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
66
|
|
|
67
|
Cn1cc(nn1)NC(=O)c2ccc(cc2)Cn3cccc3
|
|
68
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
69
|
Cc1cc(c(nc1OC)C)Nc2c(=O)n(nc(n2)C)[C@@H](C)C3CC3
|
|
70
|
c1ccc(cc1)n2nc3ccc4c(c3n2)non4
|
|
71
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
72
|
|
|
73
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
74
|
c1ccc(cc1)c2c3c(c(nn2)c4ccccc4)non3
|
|
75
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
76
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
77
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
78
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
79
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
80
|
c1ccc(cc1)S(=O)(=O)NCc2nccs2
|
|
81
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
82
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
83
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
84
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
85
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
86
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
87
|
CC(C)c1nc(cs1)CNC(=O)c2c(ocn2)C3CC3
|
|
88
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
89
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
90
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
91
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
92
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
93
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
94
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
95
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
96
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
97
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
98
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
99
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
100
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
101
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
102
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
103
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
104
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
105
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
106
|
Cc1ccc(o1)C2=Nc3ccccc3[N-]C(=N2)c4cccs4
|
|
107
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
108
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
109
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
110
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
111
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
112
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
113
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
114
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
115
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
116
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
117
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
118
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
119
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
120
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
121
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
122
|
Cc1nc(c(o1)C(F)(F)F)c2nc(on2)c3ccccc3
|
|
123
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
124
|
CCOC(=O)Nc1cc2c(c(n1)N)N=C(CO2)c3ccccc3
|
|
125
|
Cc1cc(n2c(n1)nnn2)c3ccccc3
|
|
126
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
127
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
128
|
|
|
129
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
130
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
131
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
132
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
133
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
134
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
135
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
136
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
137
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
138
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
139
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
140
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
141
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
142
|
c1cc(cc(c1)Cl)c2nnn(n2)c3ccc4nnnn4n3
|
|
143
|
|
|
144
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
145
|
Cc1c(c(on1)C)c2[nH]c3ccc(cc3n2)S(=O)(=O)N
|
|
146
|
Cc1c2c(nc(n1)n3cc(nn3)c4ccccc4)CCCC2
|
|
147
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
148
|
Cc1cc(no1)Cn2c(=O)oc(n2)c3ccco3
|
|
149
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
150
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
151
|
CS(=O)(=O)c1ccc(cc1)c2nnc(s2)[C@@H]3CCC=CC3
|
|
152
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
153
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
154
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
155
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
156
|
c1ccc2c(c1)nc(o2)n3cnc(n3)C#N
|
|
157
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
158
|
CCn1/c(=N/C(=O)C)/sc(n1)SCc2ccccc2
|
|
159
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
160
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
161
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
162
|
|
|
163
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
164
|
c1(c(non1)N)c2nnc(o2)N
|
|
165
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
166
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
167
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
168
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
169
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
170
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
171
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
172
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
173
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
174
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
175
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
176
|
c1[nH]nc(n1)NC(=O)NC2CCCC2
|
|
177
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
178
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
179
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
180
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
181
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
182
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
183
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
184
|
CNc1c2c(c3c(n1)oc(n3)c4ccccc4)n(cn2)C
|
|
185
|
Cc1nccn1c2c(cnc(n2)N3CCOCC3)F
|
|
186
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
187
|
CC(=O)Nc1nc(cs1)Cn2c(noc2=O)c3ccccc3
|
|
188
|
Cc1cc(no1)n2cnc(n2)c3cnoc3C
|
|
189
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
190
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
191
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
192
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
193
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
194
|
c1ccc(cc1)Cn2c(c(nn2)C3=NCCO3)N
|
|
195
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
196
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
197
|
c1ccnc(c1)/C(=N/c2n[nH]nn2)/[O-]
|
|
198
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
199
|
Cc1cc(ccc1/N=C/Cc2cccs2)OCC(=O)[O-]
|
|
200
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
201
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
202
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
203
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
204
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
205
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
206
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
207
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
208
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
209
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
210
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
211
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
212
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
213
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
214
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
215
|
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
|
|
216
|
COc1ccc(cc1)C2=NCSc3n2ncn3
|
|
217
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
218
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
219
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
220
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
221
|
c1ccc(cc1)c2nc(cc(=O)o2)[O-]
|
|
222
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
223
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
224
|
Cc1cc(n(n1)c2nc(cc3n2ncn3)N)C
|
|
225
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
226
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
227
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
228
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
229
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
230
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
231
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
232
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
233
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
234
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
235
|
CCOC(=O)c1cc(no1)c2c(non2)N3CCOCC3
|
|
236
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
237
|
|
|
238
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
239
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
240
|
c1ccc(cc1)S(=O)(=O)C2=Cc3ccccc3C2
|
|
241
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
242
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
243
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
244
|
CCOc1nnc(s1)Cn2c(noc2=O)c3ccccc3
|
|
245
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
246
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
247
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
248
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
249
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
250
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
251
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
252
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
253
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
254
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
255
|
CC1=NC(=O)[C@@H](C=C1c2ccc3nccn3c2)C#N
|
|
256
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
257
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
258
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
259
|
Cc1cnc(o1)COc2ccccc2
|
|
260
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
261
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
262
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
263
|
c1ccc(cc1)C2=N[C@@H]3CCCC[C@@H]3NC=C2
|
|
264
|
|
|
265
|
c1ccc(cc1)Cn2ccc-3c(c(=O)oc3c2)c4ccccc4
|
|
266
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
267
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
268
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
269
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
270
|
C([C@@H](CO)O)N1C(=O)SC(N1)N
|
|
271
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
272
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
273
|
C(c1nnc(o1)N)c2nnc(o2)N
|
|
274
|
C(CC#CC#CCCCO)CO
|
|
275
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
276
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
277
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
278
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
279
|
Cc1c(c2nnnn2c(n1)c3ccccn3)Cl
|
|
280
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
281
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
282
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
283
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
284
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
285
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
286
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
287
|
|
|
288
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
289
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
290
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
291
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
292
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
293
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
294
|
CCN(CC)c1nc(nc(n1)N(CC)CC)c2[n-]nnn2
|
|
295
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
296
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
297
|
|
|
298
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
299
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
300
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
301
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
302
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
303
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
304
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
305
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
306
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
307
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
308
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
309
|
CCCC(=O)NC1CCC(C2C1[C@@H]3[C@@H]2CCCCC3)O
|
|
310
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
311
|
|
|
312
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
313
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
314
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
315
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
316
|
Cn1cccc1CNc2[n-]nnn2
|
|
317
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
318
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
319
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
320
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
321
|
CN1C=CC2=C(Cn3c(nc(n3)c4ccccc4)C2=C1)C(=O)OC
|
|
322
|
c1ccc2c(c1)CCN(C2)Cn3c(ncn3)c4ccccc4Cl
|
|
323
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
324
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
325
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
326
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
327
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
328
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
329
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
330
|
c1cc(cc(c1)n2c(c(n(c2=O)C3CC3)[O-])[O-])N
|
|
331
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
332
|
Cc1ccc(c(c1)c2cc(n[nH]2)C(=O)Nc3nnc(s3)C)O
|
|
333
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
334
|
c1c(n(nn1)c2cncc(n2)Cl)CO
|
|
335
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
336
|
C[C@@H](c1nc(no1)Cc2cccs2)n3cccn3
|
|
337
|
C=CCNc1nc(nc(n1)n2ccnc2)c3ccccc3
|
|
338
|
c1ccc(c(c1)C2=N/C(=C/c3ccco3)/C(=O)N2)Cl
|
|
339
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
340
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
341
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
342
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
343
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
344
|
CCCCNC(=O)C1=C(NSN1)c2ccccc2O
|
|
345
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
346
|
COC1=CC=C2[C@@H](N1)Sc3c(=O)[nH]c(nc3N2)N
|
|
347
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
348
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
349
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
350
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
351
|
Cc1cc(nc(n1)n2c(c(c(=O)c(n2)C)c3ccccc3)N)C
|
|
352
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
353
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
354
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
355
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
356
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
357
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
358
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
359
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
360
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
361
|
|
|
362
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
363
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
364
|
C[C@@H]1CC2=C(CNc3ccccc3N2)C(=O)O1
|
|
365
|
C=CCNC(=O)Cn1c(cc2c1nccc2)[C@@H]3CCCO3
|
|
366
|
c1ccn2c(c1)n/c(=NC(=O)c3ccco3)/s2
|
|
367
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
368
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
369
|
CC(C)(C)OC(=O)N1CCC(CC1)Oc2ccc(=O)[nH]n2
|
|
370
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
371
|
c1nc(nn1Cc2nc(nc(n2)N)N)C#N
|
|
372
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
373
|
|
|
374
|
CCc1c(nco1)C(=O)N2CCC(CC2)c3cc(=O)[nH]c(n3)C
|
|
375
|
C1CCC(CC1)C2NNC(O2)C3C4CCCCC4SN3
|
|
376
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
377
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
378
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
379
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
380
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
381
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
382
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
383
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
384
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
385
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
386
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
387
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
388
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
389
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
390
|
c1cc(oc1)c2nc3c(cc(cn3n2)C(=O)N4CCCC4)N
|
|
391
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
392
|
c1cc(c(nc1)n2cncn2)N
|
|
393
|
|
|
394
|
c1ccc(cc1)NCCn2cccc2
|
|
395
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
396
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
397
|
c1(c(non1)C(=O)[O-])c2c(non2)C(=O)[O-]
|
|
398
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
399
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
400
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
401
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
402
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
403
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
404
|
c1cc(oc1)c2csc(n2)CC#N
|
|
405
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
406
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
407
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
408
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
409
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
410
|
c1ccc(cc1)CNc2ncco2
|
|
411
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
412
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
413
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
414
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
415
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
416
|
COC(=O)C1=NC(=CC(=O)C1)C(=O)OC
|
|
417
|
c1ccc2c(c1)NC(N2)[C@@H]3CCC=CO3
|
|
418
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
419
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
420
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
421
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
422
|
c1ccc(cc1)[C@@H]2C[C@@H](n3c(cnn3)N2)c4ccco4
|
|
423
|
Cc1cc(n(n1)CCc2nnco2)C
|
|
424
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
425
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
426
|
c1ccc(cc1)n2nc3c(n2)C(=O)CCC3
|
|
427
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
428
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
429
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
430
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
431
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
432
|
|
|
433
|
|
|
434
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
435
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
436
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
437
|
CCC(=O)n1c(nc(n1)[C@@H](C)OC)[C@@H](C)OC
|
|
438
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
439
|
CC[C@@H](C(=O)N1CCC=CC1)Nc2cccc(c2)OC
|
|
440
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
441
|
Cn1ccnc1COc2ccc(cc2)N
|
|
442
|
|
|
443
|
c1cc(ncc1C#N)NCc2nccs2
|
|
444
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
445
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
446
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
447
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
448
|
Cc1cc2c(nc(nc2o1)C)c3cnoc3
|
|
449
|
c1ccc(cc1)n2nc(c(n2)N3CCCCC3)C#N
|
|
450
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
451
|
CN1[C@@H]([C@H](CC1=O)c2ccccc2)[C@H](C#Cc3ccccn3)O
|
|
452
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
453
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
454
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
455
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
456
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
457
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
458
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
459
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
460
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
461
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
462
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
463
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
464
|
CC(C)CN1N(O1)CCOC(=O)NC2CCCCC2
|
|
465
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
466
|
c1ccc(cc1)c2cn3c(n2)SCC(=O)N3
|
|
467
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
468
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
469
|
CCOC(=O)NC1[NH]N(C(=O)N1)C2CCCCN2
|
|
470
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
471
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
472
|
c1ccc2c(c1)nn(n2)C3=CC(=O)N=[NH+]3
|
|
473
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
474
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
475
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
476
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
477
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
478
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
479
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
480
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
481
|
CCOC(=O)c1nc(nc(n1)C(=O)OCC)C(=O)OCC
|
|
482
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
483
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
484
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
485
|
|
|
486
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
487
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
488
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
489
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
490
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
491
|
Cc1c(nn(n1)c2ccccc2)C(=O)n3cccc3
|
|
492
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
493
|
c1cc(cnc1)c2cc([nH]n2)NC(=O)c3cnns3
|
|
494
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
495
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
496
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
497
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
498
|
[H]/N=c/n(nc(s1)C)Cc2ccccc2
|
|
499
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
500
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
501
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
502
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
503
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
504
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
505
|
Cc1nnc(o1)Nc2ccccc2
|
|
506
|
CC(C)(C)OC(=O)N1CCC[C@H]1Cn2c(nnn2)NC3CC3
|
|
507
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
508
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
509
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
510
|
CCOC(=O)Nc1c2c(ccn2C)n/c(=[NH+]C(=O)OCC)/s1
|
|
511
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
512
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
513
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
514
|
CC(C)([C@@H](Cc1ccc2c(c1O)COC2)O)O
|
|
515
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
516
|
c1cc(sc1)c2c(nc([nH]2)[C@@H]3CCC=CC3)c4cccs4
|
|
517
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
518
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
519
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
520
|
C1CCC(CC1)C2NC3CCCCN3N2
|
|
521
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
522
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
523
|
CNc1c2c(nc(n1)N)non2
|
|
524
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
525
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
526
|
|
|
527
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
528
|
CC(C)Cc1nc(on1)CNc2ccn(n2)CC(=O)N
|
|
529
|
Cn1c(nnc1SC)CSc2ncccn2
|
|
530
|
|
|
531
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
532
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
533
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
534
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
535
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
536
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
537
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
538
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
539
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
540
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
541
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
542
|
|
|
543
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
544
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
545
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
546
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
547
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
548
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
549
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
550
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
551
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
552
|
CCOc1cc(no1)Oc2ccccc2
|
|
553
|
CNC1NNNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
554
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
555
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
556
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
557
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
558
|
c1ccc(cc1)C2=N/C(=C/Nc4ccccc4S3)/C(=O)N2
|
|
559
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
560
|
COCCC/N=C/[C@@H](C(=O)C1=O)NCCO
|
|
561
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
562
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
563
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
564
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
565
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
566
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
567
|
Cc1nc(no1)c2c(nns2)c3ccccc3
|
|
568
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
569
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
570
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
571
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
572
|
|
|
573
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
574
|
Cc1cc(=O)n([nH]1)c2cc(nc(n2)c3ccccc3O)C
|
|
575
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
576
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
577
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
578
|
|
|
579
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
580
|
CCOC(=O)c1ns/c(=NCCCC#N)/n1C
|
|
581
|
Cc1cc2c([nH]1)ccc3c2non3
|
|
582
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
583
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
584
|
COc1cc(=O)nc(o1)c2ccco2
|
|
585
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
586
|
Cn1c(=O)c(nn(c1=O)c2ccccc2)c3nc(on3)[O-]
|
|
587
|
Cc1cc(nc(n1)C)n2cnc(n2)C#N
|
|
588
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
589
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
590
|
Cc1nc(cs1)[C@@H]2COc3ccccc3O2
|
|
591
|
c1ccc2c(c1)nc(s2)Cc3cn4ccccc4n3
|
|
592
|
Cc1[nH]nc(n1)c2ccccc2
|
|
593
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
594
|
Cc1csc(n1)[C@@H](C#N)C(=O)Cn2cnc(n2)C#N
|
|
595
|
c1cc(cc(c1)Cl)n2ccc(n2)c3cnccn3
|
|
596
|
CC1(Cc2cccc(c2O1)Oc3ccc(cn3)C#N)C
|
|
597
|
c1ccc(cc1)/C=C/c2ccncn2
|
|
598
|
c1cc(oc1)c2nc(on2)CO
|
|
599
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
600
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
601
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
602
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
603
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
604
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
605
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
606
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
607
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
608
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
609
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
610
|
CCc1cccc([o+]1)c2ccccc2
|
|
611
|
Cc1cc(no1)CNc2nccc(n2)OC
|
|
612
|
Cc1nnc(o1)CSc2nccn2C
|
|
613
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
614
|
COC1C2C(CC(OC2=O)C3CCCCC3)NC(N1)OC
|
|
615
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
616
|
c1cc(cnc1)C(=O)c2ccco2
|
|
617
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
618
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
619
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
620
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
621
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
622
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
623
|
COC(=O)CC1=Nc2nncn2C1=O
|
|
624
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
625
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
626
|
C1CCC2C(C1)OC[C@@H](O2)C(=O)C3NCCCN3
|
|
627
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
628
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
629
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
630
|
Cc1ccc(cc1)S(=O)(=O)n2c(cnn2)C
|
|
631
|
COc1ccc2c(n1)cc([nH]2)C=C
|
|
632
|
Cc1cccnc1NC(=O)NC2(CCC2)c3nc(on3)C
|
|
633
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
634
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
635
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
636
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
637
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
638
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
639
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
640
|
|
|
641
|
COc1ccccc1Cc2c(nccn2)Cl
|
|
642
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
643
|
Cc1c(oc2c1c3nc(nn3cn2)c4cccnc4)C
|
|
644
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
645
|
c1ccc2c(c1)nc(c3n2nnn3)N
|
|
646
|
c1cc(oc1)C2=CC(=O)Nc3c(non3)N2
|
|
647
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
648
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
649
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
650
|
c1ccc(cc1)c2nc(sn2)n3ccc(n3)C(F)(F)F
|
|
651
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
652
|
CS(=O)(=O)NCc1ccco1
|
|
653
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
654
|
c1ccc(cc1)c2nc3ccnn3c(n2)[O-]
|
|
655
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
656
|
Cc1c(non1)c2c3c(non3)n(n2)C(=O)C
|
|
657
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
658
|
CC(=O)OC/C=C/c1cccnc1
|
|
659
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
660
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
661
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
662
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
663
|
CC(=O)Nn1cnc2c1cccc2
|
|
664
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
665
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
666
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
667
|
c1ccc(cc1)c2cs/c(=N/C(=O)c3ccc(cc3)F)/o2
|
|
668
|
CC(=O)c1csc(n1)c2ccno2
|
|
669
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
670
|
CC1NC(CC(=O)O1)C2CCCCC2
|
|
671
|
Cc1cc(=O)c(c(o1)[O-])C2=NCCCCC2
|
|
672
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
673
|
c1ccc(cc1)c2nnnn2c3ccn(n3)c4ccccc4
|
|
674
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
675
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
676
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
677
|
Cc1cc(n(n1)[C@H]2CC(=O)O[C@@H]2COC(=O)c3ccccc3)C
|
|
678
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
679
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
680
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
681
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
682
|
CNC=CN/C1=CC(=O)c2ccccc2
|
|
683
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
684
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
685
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
686
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
687
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
688
|
c1ccc(cc1)C2=NC(=O)N=C2NC(=O)Nc3ccc(cc3)Cl
|
|
689
|
Cc1cc(=O)[nH]c(n1)C2CC2
|
|
690
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
691
|
c1cc(cnc1)CNCCc2ccco2
|
|
692
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
693
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
694
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
695
|
Cc1c(oc(n1)Cn2c(=O)c3ccccc3nn2)C
|
|
696
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
697
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
698
|
c1cc(cnc1)C#Cc2c3c(nccn3c(n2)C4CCC4)N
|
|
699
|
Cc1c(non1)OCCOc2c(non2)C
|
|
700
|
|
|
701
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
702
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
703
|
CCOC(=O)C1=NC(=O)N=C1Cn2ccnc2
|
|
704
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
705
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
706
|
Cc1nc2cc([nH]c2s1)C(=O)[O-]
|
|
707
|
c1ccnc(c1)CCSc2nncs2
|
|
708
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
709
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
710
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
711
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
712
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
713
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
714
|
Cc1nc(cs1)C#Cc2ccccn2
|
|
715
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
716
|
|
|
717
|
c1ccc(cc1)c2ccccn2
|
|
718
|
c1c(non1)c2c(non2)N
|
|
719
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
720
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
721
|
CC1(CO[C@@]2([C@@H]1O)OC[C@@H](O2)COC3CCCCC3)C
|
|
722
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
723
|
c1ccc2c(c1)-c3nc(nn3CN2)c4ccsc4
|
|
724
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
725
|
Cc1cc2[nH]c(cc(=O)n2n1)N(c3cc(nn3C(=O)C)C)C(=O)C
|
|
726
|
c1ccc-2c(c1)-c3c2nc4ccccc4n3
|
|
727
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
728
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
729
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
730
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
731
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
732
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
733
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
734
|
|
|
735
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
736
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
737
|
c1nnc(s1)NC(=O)[C@H]2C(=C3CCCCC3=NC2=O)[O-]
|
|
738
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
739
|
C(CCCOS(=O)(=O)N)CCCOS(=O)(=O)N
|
|
740
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
741
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
742
|
Cc1csc(n1)c2c(non2)N
|
|
743
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
744
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
745
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
746
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
747
|
c1cc(ccc1C(=O)COC(=O)CCn2cnnn2)F
|
|
748
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
749
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
750
|
|
|
751
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
752
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
753
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
754
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
755
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
756
|
Cc1c(c2n(c(=O)c1C#N)NC3(N2)CCCC3)C#N
|
|
757
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
758
|
Cc1ccc-2nc(nc2c3c1[nH]c(=O)[nH]3)N(C)C
|
|
759
|
c1cc[nH]/c(=NS(=O)(=O)c2cccs2)/c1
|
|
760
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
761
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
762
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
763
|
C1CC([NH]C1)C(=O)OCC#N
|
|
764
|
|
|
765
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
766
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
767
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
768
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
769
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
770
|
c1cc(cnc1)CCNCc2cscn2
|
|
771
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
772
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
773
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
774
|
Cc1nc(c2c(n1)oc(n2)C)n3cc(c(=O)[nH]c3=O)F
|
|
775
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
776
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
777
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
778
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
779
|
Cc1csc(n1)N2CCc3c2cccc3
|
|
780
|
c1csc2c1c(ncn2)n3c(c(cn3)C#N)N
|
|
781
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
782
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
783
|
CC1NNC(O1)NC(=O)C2CCC(CC2)C#N
|
|
784
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
785
|
Cc1cc(n(n1)CCc2nnc(n2C)SC)C
|
|
786
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
787
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
788
|
c1cnccc1c2cnc(c(n2)N3CCN(CC3)CCO)N
|
|
789
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
790
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
791
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
792
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
793
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
794
|
c1c2c(c(nc1N)O)n[nH]n2
|
|
795
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
796
|
CCS(=O)(=O)NCCn1cccn1
|
|
797
|
Cc1c(non1)NCNc2c(non2)C
|
|
798
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
799
|
CC(C)Oc1c(c(=O)c1=O)c2cccs2
|
|
800
|
c1ccc(cc1)N2CCN(CC2)Cc3nnnn3Cc4ccco4
|
|
801
|
CC1=CC(N=c2n1c(=O)/c(=C/C(=O)OC)/[nH]2)(C)C
|
|
802
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
803
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
804
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
805
|
Cc1c(oc(n1)C)c2ccnc(n2)N
|
|
806
|
Cn1c(ccn1)C(=O)Nn2cnnc2
|
|
807
|
c1ccc(cc1)NCc2ccco2
|
|
808
|
c1ccc(cc1)[C@H]2[C@H]([C@H]3[C@@H](O2)CC(=O)O3)O
|
|
809
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
810
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
811
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
812
|
c1cc([nH]c1)c2nnc(nn2)c3ccc[nH]3
|
|
813
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
814
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
815
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
816
|
CCSc1nnc2n1CCN2c3ccccc3
|
|
817
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
818
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
819
|
Cn1ccnc1NCc2ccco2
|
|
820
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
821
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
822
|
|
|
823
|
c1ccc(cc1)c2cc(cc(=O)o2)[O-]
|
|
824
|
Cc1nc(no1)c2cccc(c2)S(=O)(=O)NCC(=O)[O-]
|
|
825
|
CC1=C(OCCO1)C(=O)N2CCO[C@@H](C2)CC3CCCCC3
|
|
826
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
827
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
828
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
829
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
830
|
c1nc(nn1CC(=O)N)C#N
|
|
831
|
Cc1nc(c(nn1)[O-])Cc2ccccc2
|
|
832
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
833
|
c1ccc(cc1)NCc2cccs2
|
|
834
|
|
|
835
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
836
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
837
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
838
|
CCCCCCC1CN[NH]N1
|
|
839
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
840
|
Cn1ccc(n1)C#CCN2CCOCC2
|
|
841
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
842
|
CC(C)c1nc([nH]n1)CC#N
|
|
843
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
844
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
845
|
Cc1cc(n(n1)C(=O)c2c(nc(s2)Nc3ccccc3)C)C
|
|
846
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
847
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
848
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
849
|
c1ccnc(c1)SCCn2cccn2
|
|
850
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
851
|
Cc1ccc2c(c1)oc(n2)c3ccc(cc3)O
|
|
852
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
853
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
854
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
855
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
856
|
Cn1cc(cn1)NCc2ccco2
|
|
857
|
c1ccc(cc1)Nc2nc(ns2)N
|
|
858
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
859
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
860
|
CCNC(=O)Oc1c2ccccc2on1
|
|
861
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
862
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
863
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
864
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
865
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
866
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
867
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
868
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
869
|
[H]/N=c/n(c(c(s1)C#N)N)c2ccccc2
|
|
870
|
CS(=O)(=O)NCCOc1ccccc1
|
|
871
|
|
|
872
|
CC#CC#C/C=C/1C=C[C@@]2(O1)CC=CO2
|
|
873
|
CC(C)(C)NC(=O)c1ccc(cc1)Cl
|
|
874
|
c1c([nH]nn1)SCC(=O)N
|
|
875
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
876
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
877
|
CC1(OC(=CC(=O)O1)c2ccccc2)C
|
|
878
|
|
|
879
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
880
|
C1(=NS(=O)(=O)N=C1C(=O)[O-])C(=O)[O-]
|
|
881
|
C1C2C(NC(=O)[NH]1)OCCN2
|
|
882
|
CCOC(=O)c1[nH]nc(n1)N
|
|
883
|
Cc1nc(cs1)c2ccc[nH]2
|
|
884
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
885
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
886
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
887
|
c1ccnc(c1)/C=C/c2ccco2
|
|
888
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
889
|
Cc1c([nH]n(c1=O)C2=NCCN2)c3ccccc3
|
|
890
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
891
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
892
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
893
|
COC1=COC(=C(O1)O)C2CCC(CC2)F
|
|
894
|
c1cn(c(=O)c(=O)[nH]1)CCC(=O)[O-]
|
|
895
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
896
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
897
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
898
|
Cc1cccc(c1)NC2=NCCO2
|
|
899
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
900
|
c1cn(cn1)c2nc(nc(n2)Cl)N3CCCCC3
|
|
901
|
c1ccc(cc1)CCOn2ccnc2
|
|
902
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
903
|
c1ccc(cc1)c2nc3c(o2)c(nc(n3)N)[O-]
|
|
904
|
CC(C)(C)c1ncc(s1)c2nc3c(cccn3)c(n2)[O-]
|
|
905
|
Cc1nnc(o1)CSc2ccccn2
|
|
906
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
907
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
908
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
909
|
CC(=O)N[C@H]1c2nc(cn2[C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)[O-]
|
|
910
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
911
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
912
|
c1cc(oc1)c2ccc(nc2)C#N
|
|
913
|
c1ccc(cc1)[C@@]2(c3cnncc3C(=O)N2)O
|
|
914
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
915
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
916
|
c1ccc(cc1)[C@@H]2C(=N2)c3ccccc3
|
|
917
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
918
|
c1ccnc(c1)c2nnc(s2)c3ccc(cc3O)O
|
|
919
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
920
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
921
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
922
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
923
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
924
|
Cc1c(nnc(c1C#N)NCc2ccoc2)C
|
|
925
|
C1CCC(CC1)CC2=NCOC2=O
|
|
926
|
c1cc(oc1)CNc2[n-]nnn2
|
|
927
|
C1C(=O)CC2NN[NH]N2C1N
|
|
928
|
Cc1nc(sn1)c2ccc(nn2)OC
|
|
929
|
Cc1cc(nc2c1c(c(o2)C(=O)C)N)C
|
|
930
|
c1c(cc(c2c1[nH]nc2)O)O
|
|
931
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
932
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
933
|
c1ccc(c(c1)C(=O)[C@@H]2C(=NN=N2)C(F)(F)F)O
|
|
934
|
Cc1c(cn(n1)C)S(=O)(=O)n2cccn2
|
|
935
|
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
|
|
936
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
937
|
c1ccc(cc1)CC2=CC(=O)[C@H](C=N2)[O-]
|
|
938
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
939
|
c1ccc2c(c1)nnn2CC#C[C@@H](c3ccco3)O
|
|
940
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
941
|
CC(=O)NCCc1coc2c1ccnc2
|
|
942
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
943
|
c1ccc(cc1)c2nc3n(n2)CCS3
|
|
944
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
945
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
946
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
947
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
948
|
c1cc(cnc1)c2nc3c4c(ncn3n2)CCC4
|
|
949
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
950
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
951
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
952
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
953
|
Cc1ccc(cc1)Nc2nc(=[NH2+])ss2
|
|
954
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
955
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
956
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
957
|
CC(=O)Nc1coc2c1cccc2
|
|
958
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
959
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
960
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
961
|
Cc1c(c(n(n1)c2ccccc2)C)C(=O)n3c(ncn3)N
|
|
962
|
COC(CNC1=Nc2c(cccn2)OC1)OC
|
|
963
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
964
|
COC1=NS(=O)(=O)C=C(O1)C2CCCCC2
|
|
965
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
966
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
967
|
c1nncn1NC(=O)CC#N
|
|
968
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
969
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
970
|
Cc1nnc(s1)SCSc2ccccn2
|
|
971
|
Cc1cc(n(n1)c2[n-]nnn2)C
|
|
972
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
973
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
974
|
c1cc(cnc1)NCc2csnn2
|
|
975
|
CC[C@H]1[C@H](C(=O)N1)NC(=O)OC
|
|
976
|
|
|
977
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
978
|
Cc1cc(no1)CSc2nncs2
|
|
979
|
Cn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
980
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
981
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
982
|
CCO[C@@H]1C(C(=NC(=O)N1)[O-])(F)F
|
|
983
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
984
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
985
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
986
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
987
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
988
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
989
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
990
|
c1cnc(cn1)c2nnc(o2)N
|
|
991
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
992
|
CC1C(NC2C(N1)C(NNC2C3CCCCC3)C4CCCCC4)C
|
|
993
|
|
|
994
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
995
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
996
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
997
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
998
|
c1c(nc(cn1)Cl)n2cncn2
|
|
999
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
1000
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
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