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Virtual screening for IDP 3OZH - surface: 3
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
2
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
3
|
|
|
|
4
|
c1cn2cc(nc2cn1)c3c(non3)N
|
|
|
5
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
6
|
Cc1csc2c1n3c(c(nn3)C#N)[nH]c2=O
|
|
|
7
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
8
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
9
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
10
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
|
11
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
|
12
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
13
|
C[C@@H]1CCC2C(C3C(=O)[NH]C(=O)[NH]C3OC2=O)C1
|
|
|
14
|
CC(=O)Nc1cc2cccnc2sc1=O
|
|
|
15
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
16
|
c1cc(oc1)c2c(cc3c(n2)[nH]c(=O)[nH]3)c4ccncn4
|
|
|
17
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
18
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
19
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
|
20
|
|
|
|
21
|
Cc1[nH]c(=O)c2c3c(c(=O)oc2n1)nns3
|
|
|
22
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
23
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
|
24
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
25
|
c1cc(oc1)c2ccnc3c2c(=O)[nH]c(=O)[nH]3
|
|
|
26
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
27
|
c1cc(cnc1)C(=O)c2c3c(ccs3)nc(n2)C(F)(F)F
|
|
|
28
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
|
29
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
30
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
|
31
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
32
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
|
33
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
34
|
|
|
|
35
|
CSc1nnc(s1)Sc2c(nccn2)C#N
|
|
|
36
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
37
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
|
38
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
39
|
Cn1cc2c(c1c3ccc(cc3)N)c(=O)[nH]nc2[O-]
|
|
|
40
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
41
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
42
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
43
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
|
44
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
|
45
|
c1nc(c2c(n1)[nH]c(n2)[O-])N
|
|
|
46
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
47
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
48
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
|
49
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
50
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
51
|
Cc1c(nccn1)c2ccn[nH]2
|
|
|
52
|
C=c1/c(=c/c(=O)n3c4ccccc4nc3s2)/c5ccccc5[nH]1
|
|
|
53
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
|
54
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
|
55
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
|
56
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
57
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
58
|
c1cc(c(cc1S(=O)(=O)[O-])C(=O)[O-])c2cn[nH]c2[O-]
|
|
|
59
|
Cc1ccc(cc1)NC(=O)c2nnc(s2)Cn3ccnc3
|
|
|
60
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
61
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
|
62
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
63
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
64
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
65
|
|
|
|
66
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
67
|
|
|
|
68
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
69
|
[H]/N=C/N[C@@]2(c3ccccc3C(=O)[C@]2(N1)O)O
|
|
|
70
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
71
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
|
72
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
73
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
74
|
C1CCc2c(c3c(c([nH]c3s2)C#N)N)C1
|
|
|
75
|
c1ccc(c(c1)C(=O)[O-])Sc2c(nccn2)Cl
|
|
|
76
|
c1ccc2c(c1)nc3n2C4(CCCC4)NC(=[NH+]3)N
|
|
|
77
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
78
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
|
79
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
80
|
CCCCc1[nH]cc([nH+]1)CO
|
|
|
81
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
82
|
C[C@@H]1NC(=C2C(=N1)NC[NH]2)C(=O)N
|
|
|
83
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
|
84
|
|
|
|
85
|
c1cncc(c1Sc2nnns2)S(=O)(=O)N
|
|
|
86
|
CC1(Cc2c(cc3c(n2)[nH]c(=O)[nH]3)CO1)C
|
|
|
87
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
88
|
c1cocc1c2c(cc3c(n2)CCC3)C(=O)N
|
|
|
89
|
CC1C(C(N[NH]1)C2CCON2)N
|
|
|
90
|
c1cc(oc1)c2c[nH]c(=O)nc2N
|
|
|
91
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
92
|
CCc1[nH]c(c2c(n1)nn3c2nnc(c3=O)C(C)(C)C)[O-]
|
|
|
93
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
94
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
|
95
|
c1ccn(c1)c2c[nH]c(=O)[nH]c2=O
|
|
|
96
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
97
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
98
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
99
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
100
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
101
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
|
102
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
103
|
CC1=N/C(=C/c3ccccc3C(=O)O2)/C(=O)O1
|
|
|
104
|
Cc1cc(nc2c1c(nn2C)n3c(c(nn3)C#N)N)C
|
|
|
105
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
106
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
107
|
Cc1cc(no1)c2c(c(no2)C)c3nc(on3)C
|
|
|
108
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
109
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
|
110
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
|
111
|
|
|
|
112
|
Cc1cc(nc2c1c3c(s2)c(n[nH]3)c4ccccc4)C
|
|
|
113
|
CCOC(=O)Cc1[nH]ncn1
|
|
|
114
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
115
|
Cc1nc(cs1)c2ccc3c(c2)oc(=O)[nH]3
|
|
|
116
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
117
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
118
|
Cc1c2c(oc(c2c(=O)n(n1)CC(=O)[O-])n3cccc3)C
|
|
|
119
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
120
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
121
|
Cn1cc(c(c1[C@@H]2CCCO2)C(=O)[O-])c3ccccc3
|
|
|
122
|
|
|
|
123
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
124
|
CCCCc1c(c(=O)n2c(c(cnc2c1SC)C#N)N)C#N
|
|
|
125
|
c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](O2)CO
|
|
|
126
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
|
127
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
|
128
|
Cn1cnc2c(c(nn2c1=O)C#N)C#N
|
|
|
129
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
|
130
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
|
131
|
Cc1c2c([nH]c(=O)n(c2=O)Nc3ccc(cc3)O)sn1
|
|
|
132
|
c1csc(c1Cl)c2c[nH]c(c2C#N)N
|
|
|
133
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
134
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
135
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
136
|
c1c[nH]c2c1c(=O)[nH]c(n2)N
|
|
|
137
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
138
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
139
|
Cc1[nH]c(=O)c2c(n1)C[NH2+]C2
|
|
|
140
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
|
141
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
142
|
C[C@@H]1C2C(CC(NC2[O-])OC(=O)C)C(=N1)OC(=O)C
|
|
|
143
|
c1ccc2c(c1)-c3c(c(=O)[nH]nc3C2=O)C#N
|
|
|
144
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
145
|
c1(=O)[nH]c(=O)n2c(n1)sc(n2)S(=O)(=O)N
|
|
|
146
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
147
|
c1cc(oc1)c2csc3c2c(=O)[nH]cn3
|
|
|
148
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(ccs2)n3cnnn3
|
|
|
149
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
150
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
151
|
CNC(=O)N/C=C/c1ccco1
|
|
|
152
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
153
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
154
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
|
155
|
c1[nH]c(=O)c2c(n1)CCN(C2)[C@@H]3CCOC3=O
|
|
|
156
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
|
157
|
c1ccc2=NC3=[NH+]CCN3C(=c2c1)[O-]
|
|
|
158
|
Cc1c2c(oc(c2c(=O)[nH]n1)NC(=O)Cn3ccnc3)C
|
|
|
159
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
160
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
161
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
162
|
c1c([nH]c(=O)[nH]c1=O)c2[n-]nnn2
|
|
|
163
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
164
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
165
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
166
|
CN1CC=NC2C1NC([NH]C2=O)N
|
|
|
167
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
168
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
|
169
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
170
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
171
|
CC1([C@H]([C@@H](c2cc(ccc2C1=O)C#N)Oc3ccccn3)O)C
|
|
|
172
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
173
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
174
|
CC(=O)c1c-2n(n(c1=O)c3ccccc3)C(=O)c4c2nccn4
|
|
|
175
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
176
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
177
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
178
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
179
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
|
180
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
181
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
|
182
|
c1cc(c(nc1)c2ccco2)N
|
|
|
183
|
C[C@@]1(C(=O)N=C2N1C=CC=C2)CC(=O)[O-]
|
|
|
184
|
C(#N)c1c(n2c(c(nnc2n1)C(=O)N)N)C#N
|
|
|
185
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
|
186
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
187
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
188
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
|
189
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
|
190
|
Cc1cc(nc(n1)N2C(=O)CC(=N2)N)C
|
|
|
191
|
CCOc1c(nc(o1)c2ccco2)C(=O)[O-]
|
|
|
192
|
c1ccc(cc1)c2c(c(c[nH]2)c3ccco3)C(=O)[O-]
|
|
|
193
|
C1C2C(C(NC(N2)N)N)[NH]N1
|
|
|
194
|
c1cc(oc1)c2nc(c(o2)N)C#N
|
|
|
195
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
|
196
|
Cc1nc(n(n1)c2ncccn2)Cl
|
|
|
197
|
C1=CC2=NNC(=O)[C@@H]2C=C1C(=O)[O-]
|
|
|
198
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
199
|
c1c(c2nc(=O)[nH]c(=O)n2[nH]1)Br
|
|
|
200
|
c1[nH]c(=O)c2c(n1)c(c3n2CCCC3)C#N
|
|
|
201
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
202
|
c12c(n[nH]n1)Nc3c(non3)N2
|
|
|
203
|
Cc1cc(=O)c(c(o1)Nc2nnns2)C(=O)C
|
|
|
204
|
[H]/N=C/N/C(=C/CCNC(=O)c3c2cc[nH]3)/C(=N1)[O-]
|
|
|
205
|
c1cnn(c1)c2nnn(n2)CC(=O)[O-]
|
|
|
206
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
207
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
|
208
|
c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
|
|
|
209
|
|
|
|
210
|
c1cc2c3c(c1)[nH]cc3[C@@H](OC2=O)NC(=O)N
|
|
|
211
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
212
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
|
213
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
|
214
|
Cc1c(c(=O)[nH]c(n1)[O-])C#N
|
|
|
215
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
216
|
[H]/N=c/[nH]nc(s1)Sc2c(nc(nn2)O)O
|
|
|
217
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
|
218
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
|
219
|
Cc1c(sc(n1)C)c2ccnc(n2)N
|
|
|
220
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
221
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
222
|
Cc1[nH]c2c(n1)C(=O)CCC2
|
|
|
223
|
C[C@@H]1C(=O)N=C(N1c2nc(nc(n2)OC)NC(C)C)N
|
|
|
224
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
|
225
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
226
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
|
227
|
Cc1c2c(sc1C(=O)[O-])S(=O)(=O)N=C2[O-]
|
|
|
228
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
229
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
|
230
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
231
|
c1ccc2c(c1)C[C@@H]3[C@@H](C2)NC3=O
|
|
|
232
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
233
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
|
234
|
c1ccc(cc1)[C@@H]2NC(=[NH2+])Nc3n2c4ccccc4n3
|
|
|
235
|
Cn1cc(cn1)c2c(nco2)C(=O)[O-]
|
|
|
236
|
c1c[nH]c2c1nc(=O)[nH]c2[O-]
|
|
|
237
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
|
238
|
Cc1cc2nnc3c(c(c(nc3n2n1)N)C#N)N
|
|
|
239
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
|
240
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
241
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
242
|
Cc1cc(n(n1)c2c(nc[nH]2)C(=O)NC)C
|
|
|
243
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
244
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
|
245
|
CC(=O)Nc1ccc(c2c1n(cn2)C(=O)C)OC(=O)C
|
|
|
246
|
c1cnn2c1c(=O)n(nc2)CC(=O)[O-]
|
|
|
247
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
248
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
|
249
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
250
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
251
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
252
|
Cc1cc(=O)n2c(n1)nc(c(n2)C)[O-]
|
|
|
253
|
|
|
|
254
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
255
|
COC(=O)c1c(snn1)[N-]S(=O)(=O)c2ccccc2
|
|
|
256
|
c1ccc2c(c1)ncc3n2c(=O)on3
|
|
|
257
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
258
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
|
259
|
CC1(Cc2c(cc3c4c([nH]c(=O)[nH]4)sc3n2)CO1)C
|
|
|
260
|
Cc1c2ccc3c(c2oc(=O)c1Br)[nH]c(=O)o3
|
|
|
261
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
|
262
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
263
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
264
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
|
265
|
C1CCC2C(C1)NC3C(N2)NSN3
|
|
|
266
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2ccno2
|
|
|
267
|
Cc1[nH]cc(n1)c2ccccc2
|
|
|
268
|
|
|
|
269
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
270
|
Cc1c2c(c3ccccc3[nH]2)c4c([o+]1)CCCC4=O
|
|
|
271
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
272
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
|
273
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3cnn(c3)C
|
|
|
274
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
|
275
|
Cc1c(c2c3nnc(n3cnc2o1)C)C(=O)[O-]
|
|
|
276
|
Cn1c2ccccc2n(c(=O)c1=O)Cc3ccon3
|
|
|
277
|
c1cc(oc1)c2nc([nH]n2)N
|
|
|
278
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
279
|
CC[C@@H]1C2=C(CN(C2=O)CC(=O)[O-])NC(=O)N1
|
|
|
280
|
C/C(=Nc1ccccc1)/c2c([nH]c(=O)[nH]c2=O)[O-]
|
|
|
281
|
|
|
|
282
|
COC(=O)c1c([nH]c(c1C(=O)OC)c2ccsc2)C#N
|
|
|
283
|
Cc1c(c([nH]n1)n2cccc2)C(=O)[O-]
|
|
|
284
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
|
285
|
C1CC(OC1)C2NC(=O)[NH]C(=O)S2
|
|
|
286
|
Cc1c(nnc(c1c2[n-]nnn2)[O-])C
|
|
|
287
|
Cc1c(c(no1)C(=O)OC)c2cc[nH]n2
|
|
|
288
|
C1[NH]C2C(N1)NCNC2SC3=NCCN3
|
|
|
289
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
290
|
CN1CCOc2c1cnn(c2=O)CCO
|
|
|
291
|
CS(=O)(=O)c1ccc2c(c1CCC(=O)[O-])O2
|
|
|
292
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
|
293
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
294
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
|
295
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
|
296
|
Cc1[nH]c(=O)c2c(n1)CCC2
|
|
|
297
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
298
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
|
299
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
300
|
Cc1cc(=O)oc2c1c(=O)[nH]nc2c3ccccc3
|
|
|
301
|
c1ccc-2c(c1)CCc3c2n[nH]c3
|
|
|
302
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
|
303
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
304
|
c1ccc(cc1)C2=CSc3nc(nc(=[NH2+])n3N2)N
|
|
|
305
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
306
|
CNc1nc(nc(n1)n2cnc(n2)SC)NC
|
|
|
307
|
c1conc1c2c(nco2)C(=O)[O-]
|
|
|
308
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
|
309
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
310
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
311
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
312
|
CNC(=O)N=c1c(=O)c2ccccc2c1=O
|
|
|
313
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
|
314
|
c1(n[nH]c(=O)o1)c2nnc(o2)[O-]
|
|
|
315
|
Cn1c(cc(=O)n(c1=O)C)c2nnc(o2)N
|
|
|
316
|
COc1c2c(ncn1)SCC(=O)N2
|
|
|
317
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
318
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
319
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
|
320
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
321
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
|
322
|
Cc1[nH]c2c(n1)c(nnn2)N
|
|
|
323
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
324
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
325
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
326
|
COC(=O)/C=c/1c(=O)n2c(=NCC2)s1
|
|
|
327
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
328
|
COC(=O)c1c2c(n3cnnc3n1)OCC2
|
|
|
329
|
c1cc2cccc3c2c(c1)C4=NS(=O)(=O)N=C34
|
|
|
330
|
Cc1c(c2c(=O)[nH]cnc2s1)S(=O)(=O)N3CCCCC3
|
|
|
331
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
|
332
|
C=c1cc(n-2/c(=Cc3ccncc3)/c(=O)nc2[nH]1)[O-]
|
|
|
333
|
C1C=Nc2c1c(=O)[nH]c(=O)[nH]2
|
|
|
334
|
Cc1c2c(ccc(n2)NC(=O)C)n(n1)C
|
|
|
335
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
|
336
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
337
|
COc1nc(cnn1)c2cnnc(n2)OC
|
|
|
338
|
C1=N[C@@H]2[C@@H](C(=O)N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
339
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
340
|
c1cscc1c2c[nH]cc2C(=O)[O-]
|
|
|
341
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
342
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
343
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
|
344
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
|
345
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
|
346
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
347
|
CNc1c2c(nc(n1)N)non2
|
|
|
348
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
349
|
CC(=O)N[C@H]1c2nc(cn2[C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)[O-]
|
|
|
350
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
351
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
|
352
|
c1c(cnc2c1oc(=O)[nH]2)Br
|
|
|
353
|
c1cc2c(cc1S(=O)(=O)[O-])nc[nH]2
|
|
|
354
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
355
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
|
356
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
357
|
CCOC(=O)C1=C(NC(=O)N[C@@H]1C)c2cccs2
|
|
|
358
|
|
|
|
359
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
|
360
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
|
361
|
|
|
|
362
|
c1cocc1c2nc([nH]n2)N
|
|
|
363
|
|
|
|
364
|
CC(C)(C)OC(=O)N1Cc2c(nc[nH]2)C1
|
|
|
365
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
|
366
|
Cc1[nH]c2cc(ccc2n1)F
|
|
|
367
|
c1ccc2c(c1)n3c(o2)[nH+]c(nc3=O)N
|
|
|
368
|
Cc1c2c(n(n1)c3ccccc3)N[S@@](=O)N2
|
|
|
369
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
|
370
|
c1cc2cccc3c2c(c1)C4=NCCN=C34
|
|
|
371
|
Cc1nc(c2n1ccnc2Cl)[C@@H]3CCOC3
|
|
|
372
|
CC(=O)C1=C(c2ccccc2S(=O)(=O)N1)[O-]
|
|
|
373
|
C1C[C@@H]2N=Cc3c(c(sc3N2C1)C(=O)N)N
|
|
|
374
|
Cc1cc2c(c(n1)C)c(=O)[nH]n2C(=O)C
|
|
|
375
|
Cc1cc(nc(c1C(=O)N)c2cnn(c2)C)C
|
|
|
376
|
Cc1cc(no1)CSc2nncs2
|
|
|
377
|
C1C2C(NCN1)SC=C(N2)O
|
|
|
378
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
|
379
|
CC(=O)C1C2C(NC(N1)C(=O)C)N(CN2)C(=O)C
|
|
|
380
|
c1cnc(nc1c2cnccn2)N
|
|
|
381
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
|
382
|
CSc1c(c(c(s1)c2cc[nH]n2)c3ccco3)C#N
|
|
|
383
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
384
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
|
385
|
Cc1c2c(on1)CCOC(=O)N2
|
|
|
386
|
CCOC(=O)Nc1c2c(ccn2C)n/c(=[NH+]C(=O)OCC)/s1
|
|
|
387
|
CC1(NC(=O)C(=N1)c2ccccc2)C
|
|
|
388
|
C1=N[C@@H]2[C@@H](N1)NC(=NC2=O)[NH-]
|
|
|
389
|
CC1(Nc2cc(=C(C#N)C#N)ccc2=N1)C
|
|
|
390
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
|
391
|
|
|
|
392
|
Cc1cc(n(n1)c2ncccn2)C
|
|
|
393
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
394
|
c1cc(c2c(c1)[nH]c(=O)o2)N
|
|
|
395
|
c1cc(cnc1)c2cc(c3c(n2)nc(nc3[O-])N)C(F)(F)F
|
|
|
396
|
C(C#N)C1C(NN(N1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
397
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
398
|
Cn1c(ccn1)c2c(snn2)C(=O)[O-]
|
|
|
399
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
|
400
|
C1C[C@@H](Cc2c1snn2)C(=O)[O-]
|
|
|
401
|
Cn1c2c(c(=O)[nH]c1=O)non2
|
|
|
402
|
Cc1cc(=O)oc2c1c(nc(n2)C)[O-]
|
|
|
403
|
Cc1c(c(n(n1)C)C)Nc2nc([nH]n2)N
|
|
|
404
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
405
|
c1cc(oc1)c2c(snn2)C(=O)[O-]
|
|
|
406
|
c1ccc2c(c1)nc3c(n2)Sc4c(cccn4)O3
|
|
|
407
|
Cc1cc(on1)c2cnc(nc2CCNC(=O)C3CC3)C
|
|
|
408
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
409
|
C1=CN2[C@@H](N=C1)N=C3[C@@H](C2=O)NC=N3
|
|
|
410
|
Cc1c(sc(c1C(=O)[O-])n2cnnn2)C
|
|
|
411
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
412
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
413
|
Cc1[nH]c(=O)c2c(n1)[nH]cn2
|
|
|
414
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
|
415
|
Cc1c(non1)c2ccnc3n2c(nn3)N
|
|
|
416
|
Cc1ncc2c(n1)NC(=O)NC2
|
|
|
417
|
Cc1c2c(c(nnn2)[O-])n[nH]1
|
|
|
418
|
c1ccc(cc1)c2c3c(n[nH]c3nnc2c4ccccc4)N
|
|
|
419
|
CCOC(=O)c1c([nH]n2c1nnc2C(F)F)C(F)(F)F
|
|
|
420
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
|
421
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
|
422
|
Cn1c(=O)c2c3c(c[nH]n3)oc2n(c1=O)C
|
|
|
423
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
424
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
425
|
c1cc(oc1)c2c(ncs2)C(=O)[O-]
|
|
|
426
|
c1ccc(cc1)c2nc(sn2)c3ccc(nn3)Cl
|
|
|
427
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
428
|
c1ccc2c(c1)c3c(=O)[nH]ncn3n2
|
|
|
429
|
COc1cc(c(s1)C(=O)OC)OC(=O)c2ccco2
|
|
|
430
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
|
431
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
432
|
Cc1c(c(n[nH]1)C)SCC(=O)[O-]
|
|
|
433
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
434
|
C1c2c(c(c(nc2O[C@@H]1CO)N)C#N)N
|
|
|
435
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
|
436
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
437
|
c1ccc(cc1)[C@@H]2CC(=O)Nc3c2snc3C(=O)[O-]
|
|
|
438
|
C[C@@]1([C@@H](c2cc(ccc2OC1(C)C)C#N)Oc3ccccn3)O
|
|
|
439
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
|
440
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
441
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
|
442
|
c1c(c([nH]n1)C(=O)[O-])n2cnnc2
|
|
|
443
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
444
|
|
|
|
445
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
446
|
c1ccc(cc1)C2=CC(=Nn3c(nnn3)N2)c4ccccc4
|
|
|
447
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
448
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
449
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
450
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
451
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
|
452
|
C1CCC(CC1)C2C(C3C([NH]C2=O)SNN3)[O-]
|
|
|
453
|
CCn1c(c(nn1)C(=O)N)N
|
|
|
454
|
Cc1c(cc(o1)c2ccno2)S(=O)(=O)NC
|
|
|
455
|
c1nc-2c3nc(on3cnc2n1)[O-]
|
|
|
456
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
|
457
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
458
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
459
|
c1ccc2c(c1)c3c(cn2)c(n[nH]3)N
|
|
|
460
|
Cc1c(c2c(s1)c(=O)[nH]nn2)C(=O)[O-]
|
|
|
461
|
|
|
|
462
|
Cc1cc(on1)c2c(nco2)C(=O)[O-]
|
|
|
463
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
464
|
c1ccc(c(c1)c2c(c(ns2)Cl)c3[nH]ncn3)Cl
|
|
|
465
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
|
466
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
|
467
|
Cc1ccc(cc1)S(=O)(=O)/N=c/cc([nH]c(=O)[nH]2)[O-]
|
|
|
468
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
469
|
c1c2c(co1)[nH]c(=O)c(=O)[nH]2
|
|
|
470
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
|
471
|
Cn1c2c(cn1)nc[nH]c2=O
|
|
|
472
|
COc1c2c(ncn1)SCC(=N2)N
|
|
|
473
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
474
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
|
475
|
CNc1c(ncnn1)C(=O)[O-]
|
|
|
476
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
477
|
Cc1c2c(n(n1)C)SCC(=O)N2
|
|
|
478
|
c1cnccc1c2n[nH]c(=O)s2
|
|
|
479
|
CC1=C/C(=C/2C=CC=CC2=O)/N=C(N1)N
|
|
|
480
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
481
|
c12c(non1)N[C@@H]3[C@@H](N2)NC(=O)N3
|
|
|
482
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
483
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
|
484
|
COC(=O)N1CNC2C1[NH]NCC2=O
|
|
|
485
|
COC(=O)c1cc(nc2c1c(=O)n3cc[nH]c3n2)C4CC4
|
|
|
486
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
|
487
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
488
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
|
489
|
c1cnn(c1)c2cncc(n2)Cl
|
|
|
490
|
Cc1cc(c(c(=O)o1)c2ccn[nH]2)[O-]
|
|
|
491
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
|
492
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
493
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
494
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
495
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
|
496
|
|
|
|
497
|
CC1C(NN2C(NC(C2N1)C(=O)N)C)C
|
|
|
498
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
499
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
|
500
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
501
|
CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
|
|
|
502
|
Cc1c(cccn1)c2cc3cccnc3n2CCC(=O)[O-]
|
|
|
503
|
|
|
|
504
|
c1nc(c(n1CCO)N)C#N
|
|
|
505
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
|
506
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
507
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
508
|
c1ccc(c(c1)C(=O)[O-])[n+]2cc(on2)[O-]
|
|
|
509
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
510
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
511
|
CCOc1c(c([nH]n1)N)C#N
|
|
|
512
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
|
513
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
514
|
CCc1cnnn1c2c(non2)N
|
|
|
515
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
516
|
CC1(OC[C@H]([C@H](O1)c2cccnc2)C/C=CCCC(=O)[O-])C
|
|
|
517
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
518
|
c1cc(cnc1)c2cn3c(c(n2)N)nc(n3)c4ccco4
|
|
|
519
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
520
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
521
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
|
522
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
|
523
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
|
524
|
Cc1cc(n(n1)C2=NCCN2)C
|
|
|
525
|
CCCC1=C([C@@H](n2c(ncn2)N1)C)C(=O)OCC
|
|
|
526
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
527
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
528
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
|
529
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
530
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
531
|
C/C(=N/c1nc(nn1C(=O)N)N)/O
|
|
|
532
|
CC(=O)NC1=C(c2ccccc2C1)S(=O)(=O)[O-]
|
|
|
533
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
|
534
|
CCOc1ccc(cc1)n2c3c4ccccc4[nH]c3cc(c2=O)N
|
|
|
535
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
536
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
|
537
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
538
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
539
|
C1C2N3C(CC(NC3SC2)N)NC1=O
|
|
|
540
|
Cc1cc([nH]n1)OCCC#N
|
|
|
541
|
C[C@@H](C(=O)C1=N[C@@H]2C(=[NH+]C1)NC(=NC2=O)[NH-])[O-]
|
|
|
542
|
Cc1[nH]c(cn1)C(F)(F)F
|
|
|
543
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
544
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
|
545
|
Cc1c(cn(n1)C)c2nnc(s2)NC
|
|
|
546
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
547
|
CC1(C=C(c2cnccc2O1)N3CCCC3=O)C
|
|
|
548
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
|
549
|
c1cc2c(ccc3c2nno3)c(c1)S(=O)(=O)[O-]
|
|
|
550
|
Cc1cc(no1)c2nnc(n2C)SC
|
|
|
551
|
c1ccc2c(c1)c3noc(=O)n3cn2
|
|
|
552
|
C1CCC2C(C1)CC=N[C@@H]2CC(=O)[O-]
|
|
|
553
|
Cc1nc2c(nc(=O)n(c2s1)CC(=O)N)c3cccs3
|
|
|
554
|
c1nc([nH]n1)c2c(non2)N
|
|
|
555
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
556
|
C(CS(=O)(=O)c1c(c(nc(c1Cl)F)F)F)O
|
|
|
557
|
c1c(c(n[nH]1)n2cnnc2)C(=O)[O-]
|
|
|
558
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
|
559
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
560
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
|
561
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
|
562
|
Cc1c(c2c(o1)CCC2=O)C(=O)[O-]
|
|
|
563
|
c1ccc(cc1)c2c3c([nH]n2)OC(=O)C[C@@H]3c4ccccc4
|
|
|
564
|
Cc1c(c(n(n1)C)n2cncn2)N
|
|
|
565
|
C=CCNC1CCNC(N1)N
|
|
|
566
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
567
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
|
568
|
[H]/N=C/1NC(=C2C(=Nc3ccc(nc3S2)OC)[N-]1)N
|
|
|
569
|
c1cc2c(cc1C(F)(F)F)nc(s2)c3csnn3
|
|
|
570
|
|