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Virtual screening for IDP 3O6D - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
2
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
3
|
COC1CCCC2C1OC(=C(C2)C(=O)N)NC3CCCCC3
|
|
|
4
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
5
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
6
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
7
|
CCSc1ncc(n1C)c2cc(c3ccccc3n2)C(=O)[O-]
|
|
|
8
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
|
9
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
10
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
11
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
12
|
Cc1cc(=O)n(c(c1C#N)[O-])Nc2ccccc2
|
|
|
13
|
c1ccc(cc1)N2CC(=O)Nc3ccccc3S2(=O)=O
|
|
|
14
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
|
15
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
|
16
|
c1ccc2c(c1)ncc(n2)c3cnc(nc3c4ccncc4)N
|
|
|
17
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
18
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
19
|
CC(=O)Nn1cnc2c1cccc2
|
|
|
20
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
21
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
22
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
|
23
|
CCN1CCN=C2C3CC(CCC3N4CNC5C4C2C1CC5)OC
|
|
|
24
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
|
25
|
Cn1c2c(cn1)[C@@H](CCC2)Nc3c(cccn3)C#N
|
|
|
26
|
c1ccc2c(c1)[C@@H]3C4=C(CCCC4)C(=C3NC2=O)C(=O)N
|
|
|
27
|
c1cc2c3c(c1)[nH]cc3[C@@H](OC2=O)NC(=O)N
|
|
|
28
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
29
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
30
|
Cc1ccc(cc1)/N=C/c3cccc(c3NC2=O)C
|
|
|
31
|
CCCC1C(=C(NC(=C1C(=O)N)C)C)C(=O)N
|
|
|
32
|
CCCc1nncn1NC(=O)OCC
|
|
|
33
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
34
|
Cc1c-2c(n(n1)C)CCc3c2sc(c3)C(=O)[O-]
|
|
|
35
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
36
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
37
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
38
|
Cn1c(ccn1)C(=O)Nn2cnnc2
|
|
|
39
|
|
|
|
40
|
c1ccc(cc1)n2c3c4ccccc4c(=O)oc3nn2
|
|
|
41
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
42
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
43
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
44
|
COc1ccc(cc1)c2cnnn2Cc3ccco3
|
|
|
45
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
|
46
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
47
|
c1c([nH]nn1)SCC(=O)N
|
|
|
48
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
49
|
Cc1c(sc(n1)c2c(cnc(n2)NCC=C)c3ccsc3)C
|
|
|
50
|
|
|
|
51
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
52
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
53
|
c1ccc(cc1)c2nnc3n2-c4ccccc4OC3
|
|
|
54
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
|
55
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
56
|
Cc1cc2c(c(nn2C)C)c(=O)n1Nc3ccccc3
|
|
|
57
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
|
58
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
|
59
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
|
60
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
61
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
62
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
|
63
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
|
64
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
|
65
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
66
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
67
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
68
|
CS(=O)(=O)Nc1cccc2c1cn[nH]2
|
|
|
69
|
c1ccc(cc1)[C@@H]2c3cc4c(cnc5n4ncn5)c(=O)n3C(=O)N2
|
|
|
70
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
71
|
Cc1ccc(o1)[C@@H]2C[C@@H](n3c(ccn3)N2)C(F)(F)F
|
|
|
72
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
|
73
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
74
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
|
75
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
76
|
c1ccc(cc1)n2cnc3c2c4ccccc4c(=O)o3
|
|
|
77
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
78
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
79
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
80
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
81
|
|
|
|
82
|
CNc1cnnc2c1cccc2
|
|
|
83
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
84
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
85
|
c1cc(sc1)c2[nH]c(nn2)N
|
|
|
86
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
87
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
88
|
c1ccc-2c(c1)-c3cccc4c3c2cnc4
|
|
|
89
|
Cc1c2c([nH]n1)OC(=C([C@@H]2c3ccco3)C(=O)N)N
|
|
|
90
|
c1ccc2c(c1)C(=O)NS(=O)(=O)c3ccccc3S2
|
|
|
91
|
CC(=O)Nn1c2ccccc2nn1
|
|
|
92
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
|
93
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
94
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
95
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
96
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
97
|
CC(=O)C1=C(c2ccccc2S(=O)(=O)N1)[O-]
|
|
|
98
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
99
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
100
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
101
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
102
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
103
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
|
104
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
105
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
106
|
Cc1c(c2nc(c3c(n2n1)OCC3)C(=O)[O-])c4ccccc4
|
|
|
107
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
|
108
|
|
|
|
109
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
110
|
Cc1n[nH]c(=O)n1Nc2ccccc2
|
|
|
111
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
112
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
113
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
114
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
115
|
CCOc1ccc(cc1)N2C(=O)CN=C3C2=NCCC3
|
|
|
116
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
|
117
|
CC1=C([C@@H](N2C(=N1)N=CN2)c3ccccc3)C(=O)N
|
|
|
118
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
119
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
120
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
121
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
122
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
123
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
124
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
|
125
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
|
126
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
127
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
128
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
129
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
130
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
131
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
132
|
C1CCC(CC1)C2=C3CC[C@@H]4[C@@H]3N(CCCC4)C(=O)O2
|
|
|
133
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
134
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
135
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
|
136
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
137
|
CCCc1cc(no1)c2cc(=O)n3c([nH]2)c(c(n3)C)CC
|
|
|
138
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
|
139
|
CC1CC(C2C(C1)NN3C(NNC3S2)C4CCNCC4)C
|
|
|
140
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
141
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
|
142
|
CO[C@@H]1c2cccc3c2c(ccc3)[C@@H]1NS(=O)(=O)C
|
|
|
143
|
Cc1nc(on1)[C@@H](C)Nc2ccc(nc2)OC
|
|
|
144
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
|
145
|
|
|
|
146
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
147
|
CC1(Cc2c(c(c(c(c2C#N)N)C#N)SC)CO1)C
|
|
|
148
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
149
|
CCOC(=O)c1cnc2c3c1onc3CCC2
|
|
|
150
|
C1CCC(CC1)/C=C/2CC-3OC(=O)C4C3C(C2=O)CCC4
|
|
|
151
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
152
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
153
|
CC1=C([C@@H](C(=C(O1)N)C(=O)OC)c2ccc[nH]2)C(=O)N
|
|
|
154
|
C[C@@H]1Cc2ccccc2N1c3c(c(=O)c3=O)c4ccccc4
|
|
|
155
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
|
156
|
C1CCC(CC1)NSC2CCCCC2
|
|
|
157
|
C[C@@]12CCC3=C([C@@H]1CCCC2=O)CSc4c3ccc(c4)OC
|
|
|
158
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
159
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
160
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
161
|
CCc1nnc(c2n1ccc2)N3CCC(CC3)C(=O)[O-]
|
|
|
162
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
163
|
C[C@H]1c2c(c(=O)cc-3n2CCc4c3cccc4)C(=O)O1
|
|
|
164
|
CCOC(=O)C1CN(C2C1C(=O)[C@@H](CC(=O)N2)C(=O)OCC)C
|
|
|
165
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
166
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
|
167
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
|
168
|
Cc1cc(no1)c2nnnn2c3ccc(cc3)F
|
|
|
169
|
c1ccc-2c(c1)CCCc3n2c(nn3)CC#N
|
|
|
170
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
171
|
c1ccc(cc1)c2c3c(c(c(c2C#N)N)C#N)CCC3
|
|
|
172
|
C1CCC(CC1)C2C3C4C(CCCN4C(=O)N2)CCC3
|
|
|
173
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
|
174
|
c1ccc2c(c1)ncn2n3cccc3
|
|
|
175
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
176
|
C#CCn1cnc2c1cccc2
|
|
|
177
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
|
178
|
c1ccc2c(c1)-c3c(cncn3)-c4cccnc4S2
|
|
|
179
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
180
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
|
181
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
|
182
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
183
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
184
|
c1ccc2c(c1)-c3ccccc3S(=O)(=O)N2
|
|
|
185
|
Cc1nc(cs1)c2ccc[nH]2
|
|
|
186
|
c1cc2c(cc1CN3[C@@H]4C=CC=C[C@H]4C(=O)C3=O)OCO2
|
|
|
187
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
|
188
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
189
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
|
190
|
|
|
|
191
|
C1CCC(CC1)NC2C(C(=O)SS2)CL
|
|
|
192
|
c1cc(oc1)c2cnnn2c3ccc(cc3)N
|
|
|
193
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
194
|
COC1=C(C(=O)O[C@@H]2[C@@H]1C=CC=C2)Cc3ccccc3
|
|
|
195
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
196
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
197
|
c1ccc(cc1)N2CCCn3c4ccccc4nc3C2
|
|
|
198
|
c1cocc1c2c(cc3c(n2)CCC3)C(=O)N
|
|
|
199
|
Cc1c2ccccc2[nH]c(=O)c1Sc3nnnn3C
|
|
|
200
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
201
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
202
|
CC1CC([NH]/C(=NC(=O)CC2C(CCCC2CL)F)/C1)C
|
|
|
203
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
|
204
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
|
205
|
c1ccc(cc1)n2c(nnn2)Cn3c(nnn3)C4CCCC4
|
|
|
206
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
207
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
208
|
CC1(Cc2ccccc2/C(=C/C(=O)N)/C1)C
|
|
|
209
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
210
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
211
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
212
|
c1csc2c1cc([nH]2)C(=O)[O-]
|
|
|
213
|
c1ccc2c(c1)CC=N[C@@H]2Cn3c4ccccc4nn3
|
|
|
214
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
|
215
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
|
216
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
217
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
218
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
219
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
220
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
221
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
222
|
CNc1nnc(s1)c2cnccn2
|
|
|
223
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
224
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
225
|
Cc1cc(nc(c1C(=O)N)c2cnn(c2)C)C
|
|
|
226
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
|
227
|
c1ccc(cc1)c2cnc3n2nccc3
|
|
|
228
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
|
229
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
230
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
|
231
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
|
232
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
|
233
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
234
|
CC1C(NNC(C1C#N)SC2CC(CCC2F)F)C
|
|
|
235
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
236
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
237
|
CCNc1nnc(s1)Cn2c3ccccc3nn2
|
|
|
238
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
239
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
240
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
241
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
242
|
CCSc1nncn1Cc2ccco2
|
|
|
243
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
244
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
245
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
246
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
247
|
CN1C(=O)C(=C(C12CCC2)N)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
248
|
c1ccc(cc1)c2cnccn2
|
|
|
249
|
CC1C2NNNN2C(=O)N(N1)C3CCCCC3
|
|
|
250
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
|
251
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
252
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
253
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
|
254
|
c1cc(cc(c1)C(F)(F)F)C2=CCNc3n2ncc3C(=O)N
|
|
|
255
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
256
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
257
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
|
258
|
CC1=CC(=O)Nc2cccc3c2n1nc3
|
|
|
259
|
c1cc2cccc3c2c(c1)c(=C(C#N)C#N)[nH]3
|
|
|
260
|
CS(=O)(=O)N[C@@H]1CC(=O)N(C1)c2ccccc2
|
|
|
261
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
262
|
CN1C=NC2C(NCN2[C@@H]3CC[C@@H](O3)CO)[C@@H]1O
|
|
|
263
|
c1ccc(cc1)CNc2cnccn2
|
|
|
264
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
265
|
COc1ccc(cc1)c2nnc3n2NCS3
|
|
|
266
|
COc1ccc(cc1)C2=Nn3c(nnn3)-c4ccccc4C2
|
|
|
267
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
|
268
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
|
269
|
Cn1c(=O)c(nn(c1=O)C)Oc2ccc3c(c2)OCO3
|
|
|
270
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
271
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
272
|
c1cc(c(nc1)Sc2[nH]ncn2)C(=O)[O-]
|
|
|
273
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
274
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
275
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
276
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
277
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
278
|
C1CCC(CC1)CNS(=O)(=O)CC2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
|
279
|
C=CCNC(=O)[C@@H]1c2c(nc3ccccc3n2)NC1=O
|
|
|
280
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
|
281
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
|
282
|
Cc1c(non1)c2ccn[nH]2
|
|
|
283
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
284
|
Cc1cc(ncc1[C@@H](CC(=O)N)n2cccc2)C
|
|
|
285
|
C1CCC2C(C1)[C@@H](CCS2)NC3CNCC(N3)CL
|
|
|
286
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
287
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
288
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
289
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
290
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
291
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
292
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
|
293
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
294
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
|
295
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
296
|
c1ccc(cc1)n2c3c(cn2)c(nnn3)[O-]
|
|
|
297
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
|
298
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
|
299
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
300
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
301
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
302
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
|
303
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
304
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
305
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
306
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
307
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
308
|
C/C(=C/C(=NC(=NC1=O)O)O)/Nc2cccc(c2)C(F)(F)F
|
|
|
309
|
CCc1nnc(c2n1c(nn2)c3ccc(cc3)F)[O-]
|
|
|
310
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
311
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
312
|
c1ccc(cc1)N=c2c(=O)c3ccccc3c2=O
|
|
|
313
|
c1ccc2c(c1)C(=NS2(=O)=O)n3ccnc3
|
|
|
314
|
c1ccc(cc1)C2=NS(=O)(=O)Nc3c2cccc3
|
|
|
315
|
C1=CC=CC(C=C1)NC(=O)N
|
|
|
316
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
317
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
318
|
Cc1c(snn1)c2cc(nc(n2)SC)[O-]
|
|
|
319
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
320
|
Cc1c2ccccc2sc1c3cnc(s3)C
|
|
|
321
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
322
|
c1ccc(cc1)c2c3c(csc3nnc2c4ccccc4)O
|
|
|
323
|
Cc1c/c(=NC(C)(C)C)/nc2n1cc(c3c2cccc3)Cl
|
|
|
324
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
|
325
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
|
326
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
327
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
|
328
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
329
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
330
|
CCnccn2c(/c1=Nc3ccccc3)nnn2
|
|
|
331
|
CC(=O)NCCc1coc2c1ccnc2
|
|
|
332
|
C1CCC(CC1)S(=O)(=O)C2=CC3CCCC4C3C2CCC4
|
|
|
333
|
|
|
|
334
|
C=CCSc1cc(cc(c1C#N)c2ccccc2)C3CC3
|
|
|
335
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
336
|
c1cc(ccc1c2cncn2N3CCCCC3)Cl
|
|
|
337
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
|
338
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
339
|
c1ccc(cc1)n2cnc(nc2=[NH2+])N
|
|
|
340
|
C1CNC([NH]1)[C@@H]2CCCCN2C(=O)C3CC3
|
|
|
341
|
CN(Cc1nnc(s1)SC)c2ccccc2F
|
|
|
342
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
343
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
344
|
Cc1cc2c(cc1C)n(cn2)c3c(=O)n(c(=O)n(n3)C)C
|
|
|
345
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
346
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
347
|
CN1CN=c2n(c(=O)/c(=Cc3ccccc3)/s2)C1
|
|
|
348
|
Cc1c(c(sn1)C)Nc2c(c(ncn2)SC)C#N
|
|
|
349
|
CCn1c2ccccc2nc1c3csnn3
|
|
|
350
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
351
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
352
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
353
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
354
|
C1CCC2(CC1)[C@@H]([C@@]3(CCCC=C3)NC2=O)O
|
|
|
355
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
356
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
|
357
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
|
358
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
|
359
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
360
|
CC1=C[C@@]2(C(=C(O1)N)C(=O)N)Nc3ccccc3O2
|
|
|
361
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
|
362
|
c1cc2c(nc1)S[C@@H](NC2=O)c3ccco3
|
|
|
363
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
364
|
c1ccc(cc1)c2c(=O)c3cscc3[nH]c2[O-]
|
|
|
365
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
|
366
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
|
367
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
|
368
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
369
|
COc1ccccc1n2c(coc2=O)c3ccc(cc3)F
|
|
|
370
|
Cc1csc(n1)[C@@H](C#N)C2=NS(=O)(=O)c3c2cccc3
|
|
|
371
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
372
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
|
373
|
[H]/N=c/n2c3ccccc3[nH]c(=O)c2c(s1)c4ccccc4
|
|
|
374
|
C1CNNCC1CCC(=O)[O-]
|
|
|
375
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
|
376
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
|
377
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
378
|
c1ccc2c(c1)[nH]c(n2)c3c(c4cccnc4s3)[O-]
|
|
|
379
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
380
|
Cc1cc(nc2c1c(nc(n2)C)C)c3c(nc(nc3N)C)C
|
|
|
381
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
|
382
|
c1ccc2c(c1)ccc3c2c4c(o3)cno4
|
|
|
383
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
384
|
c1ccc(cc1)c2ccc(n2Cc3cccc(n3)N)c4ccccc4
|
|
|
385
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
386
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
387
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
388
|
CC(C)(C)C(=O)CC1=NC(=O)/C(=Cc2csnn2)/S1
|
|
|
389
|
c1ccc(cc1)[C@@H]2c3nnnn3-c4ccccc4C2=O
|
|
|
390
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
391
|
C[C@@H]1COCCN1Cn2c(=O)cc3c(n2)CCC3
|
|
|
392
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
393
|
CC1CC2CC(OC2C3C1C(NNC3CL)CL)C
|
|
|
394
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
395
|
Cc1nnc(s1)Sc2cc(=O)oc3c2cccc3
|
|
|
396
|
c1ccc2c(c1)N[C@@H](O2)c3cccs3
|
|
|
397
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
398
|
c1ccc(cc1)c2nnc3n2CCCS3
|
|
|
399
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
400
|
CC[C@@]1(C(=O)NC(=N1)c2c(cccn2)C(=O)[O-])C
|
|
|
401
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
|
402
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
403
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
|
404
|
Cc1c(c[nH]n1)c2nc(sn2)Nc3ccccc3
|
|
|
405
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
406
|
Cc1ccc(s1)Nc2ccccc2
|
|
|
407
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
|
408
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
|
409
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
410
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
411
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
412
|
CC1C2C(ON1)C[C@@H](CC(=N2)C)C3CCCCC3O
|
|
|
413
|
c1ccc2c(c1)N(CCO2)c3ccc(s3)C(=O)[O-]
|
|
|
414
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
415
|
Cc1c(c[nH]n1)c2nc(no2)c3ccc(cc3)Cl
|
|
|
416
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
417
|
c1ccc2c(c1)nnn2CN3CSc4c3cccc4
|
|
|
418
|
Cc1c2ccccc2nc(c1C(=O)[O-])Cn3cccn3
|
|
|
419
|
COc1ccc2c(c1)CC[C@@H]3[C@@H]2O[C@@H](O3)c4cccnc4
|
|
|
420
|
CC(=O)O[C@@H]1C=Cc2ccc3c4c2c1ccc4CC=C3OC(=O)C
|
|
|
421
|
CC1=C([C@@H](n2c(ncn2)N1)c3ccoc3)C(=O)N
|
|
|
422
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
423
|
Cc1cc(=O)c(c(o1)Nc2ccccc2)C(=O)C
|
|
|
424
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
425
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
426
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
|
427
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
428
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
429
|
C1CCC2C(C1)CC3C(N2)-C4CCCC5C4N(C3)CCC5
|
|
|
430
|
C1CCC(CC1)C(=O)/C(=C/2NN=C3N2CCCCC3)/C#N
|
|
|
431
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
|
432
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|
|
|
433
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
434
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
|
435
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
436
|
c1ccc2cc(ccc2c1)n3c(nnn3)c4c[nH]c5c4cccc5
|
|
|
437
|
c1ccc2c(c1)CO[C@@]3(N2)c4ccccc4NC3=O
|
|
|
438
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
|
439
|
Cc1ccc(c(c1)C)C2=CSc3ccccc3N2
|
|
|
440
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
441
|
CCOC1C-2C(NC(N1)N)CCC3C2CCCC3
|
|
|
442
|
c1ccc(cc1)[C@@H]2c3cc(ccc3[S@@](=O)O2)Cl
|
|
|
443
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
444
|
CC1=C([C@@H](N2C(=N1)NC=N2)c3ccccn3)C(=O)N
|
|
|
445
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
|
446
|
c1cc(ccc1C2=C/C(=C/3C=C(C=CC3=O)Cl)/ON2)F
|
|
|
447
|
c1ccc(cc1)CNc2cnoc2
|
|
|
448
|
c1cc(nc(c1)F)c2cnc3n2ccnc3
|
|
|
449
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
450
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
451
|
|
|
|
452
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
453
|
c1cc(oc1)c2c3c(c(c(c2C#N)N)C#N)CCCC3
|
|
|
454
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
455
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
456
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)no2
|
|
|
457
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
458
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
459
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
|
460
|
CC(C)(C)OC(=O)N1CCC(CC1)Cc2cnc[nH]2
|
|
|
461
|
Cc1nn(c(=O)c2n1ccn2)CC(=O)OC
|
|
|
462
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
463
|
C1CC(CCC1CC2CC(=O)C3C(S2)CCS3)F
|
|
|
464
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
465
|
Cn1c(c(c(=O)[nH]c1=O)Oc2ccc(cc2Cl)F)N
|
|
|
466
|
Cc1c(n(c(c1C#N)NC(=O)c2cccs2)CC3CC3)C
|
|
|
467
|
Cc1nc2ccccc2c(=O)n1c3nc[nH]n3
|
|
|
468
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
|
469
|
|
|
|
470
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
471
|
Cc1cc(c(s1)C)[C@@H]2C=CN=CN2
|
|
|
472
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
473
|
CCOC(=O)C1=C([C@@H]2C=C(C=C[C@@H]2N=C1)C)OCC#N
|
|
|
474
|
CNc1c2c(c3c(n1)sc(n3)NC)n(cn2)C
|
|
|
475
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
|
476
|
[H]/N=C/NC(=C2[C@@H]([C@@H](C(=O)N=C2N1)C#N)c3ccccc3)[O-]
|
|
|
477
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
|
478
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
|
479
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
480
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
481
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
482
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
483
|
Cc1cnc(s1)Nc2cnc(nc2)SC
|
|
|
484
|
c1ccc-2c(c1)CN[C@@H](c3n2ccc3)c4ccc(cc4)F
|
|
|
485
|
CN1C2CCC(CC2OC1=O)[C@@H]3CCC(=O)N3C
|
|
|
486
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
|
487
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
488
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
|
489
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
490
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
|
491
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
492
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
|
493
|
c1ccc(cc1)c2c(c-3c(oc2=O)CCc4c3cccc4)[O-]
|
|
|
494
|
Cc1nnnn1c2cc3c(s2)CCCC3
|
|
|
495
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
|
496
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
|
497
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
|
498
|
CC1=Nc2ccccc2Nc3c1c(=O)[nH]c4c3cccc4
|
|
|
499
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
500
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
|
501
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
|
502
|
c1ccc(cc1)n2c(nnn2)n3c4ccccc4nn3
|
|
|
503
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
504
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
|
505
|
c1cc2c(cc1C3CCCCC3)c4c([nH]2)C(=O)CC=C4
|
|
|
506
|
c1cc(ccc1Cn2c(=O)oc(n2)c3ccoc3)C#N
|
|
|
507
|
CC(=O)Nc1cc(n[nH]1)c2ccc(cc2)F
|
|
|
508
|
[H]/N=C/1NC(C2C(O1)C3CCCCC3N(C2=O)C)C
|
|
|
509
|
CC1=CCC(=O)Nc2c1cnn2c3ccc(cc3)Cl
|
|
|
510
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
511
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
512
|
CC1=CC(=O)O[C@@H](C1)c2ccccc2
|
|
|
513
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
514
|
CCOC(=O)[C@@H]1c2c(c(c([nH]2)C)C)S[C@@H]1C
|
|
|
515
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
|
516
|
c1ccc(cc1)c2c(=O)c3c(n4c2OCC4)CCC3
|
|
|
517
|
Cc1c(c(sn1)c2ccc(cc2O)OC)c3csc(n3)C
|
|
|
518
|
c1ccc(cc1)CCOn2ccnc2
|
|
|
519
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
|
520
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
|
521
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
|
522
|
C1=C([C@H]2C(=NC1=O)C(=C(S2)SCC#N)C#N)[O-]
|
|
|
523
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
524
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
525
|
Cc1c2cnc3ccccc3n2nn1
|
|
|
526
|
c1ccc(cc1)NCc2cscn2
|
|
|
527
|
CC1C2C(N(N1)C3CCCCC3)[C@@H](NC2=O)CC4CCCCC4
|
|
|
528
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
|
529
|
Cc1nc2n(n1)[C@H](CC(=N2)C(=O)[O-])[C@@H]3CCC=CC3
|
|
|
530
|
c1cc2c(cc/3c(c2)/C=Nc4c(cccc4)/N=C3)cc1
|
|
|
531
|
CCCOn1c(nnn1)c2ccccc2
|
|
|
532
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
533
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
534
|
COC(=O)[C@@H](Cc1cncn1Cc2cc(cc(c2)Cl)Cl)N
|
|
|
535
|
c1ccc2c(c1)C(c3ccccc3O2)c4nnc(o4)[O-]
|
|
|
536
|
c1ccc2c(c1)CCC3=C(CC2=O)C(=O)OC3
|
|
|
537
|
c1ccc(cc1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)[C@@H]4OC[C@H]3O4
|
|
|
538
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
539
|
c1cn[nH]c1c2ccsc2
|
|
|
540
|
Cc1csc(n1)Sc2nnc(s2)c3ccccc3
|
|
|
541
|
|
|
|
542
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)C(=O)O2
|
|
|
543
|
Cc1c2c(nc(s2)N(C)CC(=O)[O-])n(n1)c3ccccc3
|
|
|
544
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
545
|
CN1C=CC=C2C1=C(Cn3c2nnc3c4ccccc4)C(=O)OC
|
|
|
546
|
c1ccc(cc1)NCc2cccs2
|
|
|
547
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
|
548
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
549
|
CC1C(CC2C(N1)-C3CCCCC3OS2(=O)=O)C(=O)OC
|
|
|
550
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
|
551
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
|
552
|
c1ccc2c(c1)nnn2n3c4ccccc4nn3
|
|
|
553
|
c1ccc(c(c1)C(F)(F)F)N2Cc3cnc4ncnn4c3C=C2
|
|
|
554
|
c1cc(ccc1C2=CC=NS(=O)(=O)N2)Cl
|
|
|
555
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
556
|
COC1=C2CCCC(=C2OC1=O)C3CCCCC3
|
|
|
557
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
|
558
|
CC1(C=Nc2c(cc(=O)c-3c(c4ccccc4n(c23)C)O)O1)C
|
|
|
559
|
CC[C@@H]1C2CC-3N(C(=O)C2COC1=O)CC4C3CCCC4
|
|
|
560
|
CN1C2C(C(=O)N(C1=O)C)N[C@@]3(N2)C4CCCCC4NC3=O
|
|
|
561
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
562
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
|
563
|
Cc1cc(no1)c2c(c(no2)C)c3nc(on3)C
|
|
|
564
|
C=c1cc(n-2/c(=Cc3ccncc3)/c(=O)nc2[nH]1)[O-]
|
|
|
565
|
c1cc2c(c3c1nncc3)non2
|
|
|
566
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
567
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|