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Virtual screening for IDP 3QZ3 - surface: 1
(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
|
2
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
3
|
CC[C@@H](CCC(=O)/N=c/ccn([nH]1)c2ccccc2)C(=O)[O-]
|
|
|
4
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
5
|
Cc1nc([nH]n1)CNC(=O)Nc2[nH]nc(n2)Cc3ccccc3
|
|
|
6
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
7
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
8
|
CC(=O)N[C@@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
9
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
10
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
11
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
12
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
13
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
14
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
15
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
16
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
17
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
18
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
19
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
20
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
21
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
22
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
23
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
24
|
COC(=O)c1c(sc(n1)N2CCCCC2)C(=O)c3ccco3
|
|
|
25
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
26
|
Cc1nc(n(n1)CCNC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
27
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
28
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
29
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
30
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
31
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
32
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
|
33
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
34
|
COC(=O)Cc1nnn(n1)Cc2nc(no2)Cc3ccccc3
|
|
|
35
|
CC(C)(C)OC(=O)NCCc1cn(nn1)Cc2cscn2
|
|
|
36
|
|
|
|
37
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
38
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
39
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
|
40
|
Cc1c(nnn1Cc2c(oc(n2)c3ccccc3)C)C(=O)[O-]
|
|
|
41
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
42
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
|
43
|
CNC(=O)C=NNS/C1=C/2C(=O)N(N=N2)c3ccccc3
|
|
|
44
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
45
|
c1ccc(cc1)c2cc(on2)[C@@]3(CC[C@H]4CO[C@@H]3O4)O
|
|
|
46
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
47
|
Cn1cc(cn1)c2cc3cc(ccc3nc2)C4=NCCC4
|
|
|
48
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
|
49
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
50
|
|
|
|
51
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
|
52
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
53
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
54
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
55
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
56
|
C[C@@H]1Nc2ccccc2-c3c(nc(nn3)SC)O1
|
|
|
57
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
58
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
59
|
CSc1cc(nn1C(=O)Cc2ccccc2)c3ccc(cc3)F
|
|
|
60
|
c1ccc2c(c1)nc3c(n2)C4=CC=CC5=CC=C[C@@H]3[C@@H]54
|
|
|
61
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
62
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
63
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
64
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
65
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
|
66
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
67
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
|
68
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
69
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
70
|
|
|
|
71
|
Cc1c(sc(n1)c2ccccc2)c3nnc(o3)C4CC4
|
|
|
72
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
73
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
74
|
c1ccc2c(c1)nnn2Cncccc/c3=NC=C4CCCCC4
|
|
|
75
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
76
|
COC(=O)Nc1cc(c[nH]1)C(=O)c2ccc(cc2Cl)Cl
|
|
|
77
|
CC(C)(C)C(=O)OCSc1nc(no1)c2cccnc2
|
|
|
78
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
79
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
80
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
81
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
82
|
|
|
|
83
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
84
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
85
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
|
86
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
87
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
88
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
89
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
90
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
91
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
92
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
93
|
CCOC(=O)N/C=CNC(=O)OCC
|
|
|
94
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
95
|
Cn1c(=O)c2ccccc2c(n1)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
96
|
c1ccc(cc1)n2c(=O)c3cnc4c(c3[nH]2)cc(s4)C(=O)[O-]
|
|
|
97
|
CCCCSc1nc(c2nc3ccccc3c(=O)n2n1)[O-]
|
|
|
98
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
99
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
100
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
101
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
102
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
103
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
104
|
CN1C=CC2=C(Cn3c(nc(n3)c4ccccc4)C2=C1)C(=O)OC
|
|
|
105
|
c1ccc2c(c1)c(nnn2)Nc3ccccc3Cl
|
|
|
106
|
|
|
|
107
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
108
|
Cc1cc(on1)c2cnc(nc2[C@@H]3CCCO3)N4CCCC4
|
|
|
109
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
110
|
Cc1ccc(cc1)n2c(c(nn2)C(=O)n3c(cc(n3)C)C)C
|
|
|
111
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
112
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
113
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
|
114
|
CCOC(=O)c1c(c2c(s1)cc(oc2=O)c3cccnc3)N
|
|
|
115
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
116
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
117
|
CNC(=O)c1c2c(ccs2)nc(n1)NCc3cccnc3
|
|
|
118
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
119
|
CC(=O)N[C@@H]1CCC/C(=C/C2CCNC3C2CC(CC3)OC)/C1
|
|
|
120
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
121
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
122
|
|
|
|
123
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
124
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
|
125
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
126
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
127
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
128
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
129
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
130
|
|
|
|
131
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
132
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
133
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
134
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
135
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2ccnc2C
|
|
|
136
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
137
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
138
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
139
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
140
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
141
|
Cc1cc(c(o1)C)c2cnnc(n2)N3CC[C@@H](C3)COC
|
|
|
142
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
143
|
c1ccc(cc1)c2cc3nc(c4c(n3n2)nc(o4)c5ccccc5)N
|
|
|
144
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
145
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
146
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
147
|
CC1=NC2=[NH+]/C(=C/C(=O)c3ccc(cc3)OC)/C(=O)NN2C(=C1)[O-]
|
|
|
148
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
149
|
CCn1c(c(c2c1nc3ccccc3n2)c4[nH]c5ccccc5n4)N
|
|
|
150
|
CC(=O)Nc1nnc(s1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
151
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
152
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
|
153
|
c1ccc(cc1)n2cc(cn2)c3c4cc(ccc4on3)F
|
|
|
154
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
155
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
|
156
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
157
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
158
|
Cc1nc(nc(=O)n1c2ccccc2)Nc3ccccc3
|
|
|
159
|
c1ccc-2c(c1)-c3cccc4c3c2n[nH]c4=O
|
|
|
160
|
|
|
|
161
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
162
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
163
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
164
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
165
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
166
|
|
|
|
167
|
[H]/N=C/N(C2C(S1)C(=O)NC([NH]2)C)C3CCCCC3
|
|
|
168
|
Cc1nnc(o1)CSc2nc([nH]n2)N
|
|
|
169
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
170
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
171
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
172
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
173
|
CSc1nc2n(n1)[C@H](C(=O)N2)CC(=O)Nc3ccccc3
|
|
|
174
|
CC(C)(C)OC(=O)NCCn1c(c(nn1)C#N)N
|
|
|
175
|
c1ccc(cc1)C2=C/C(=C/c4ccccc4NC3=O)/C(=O)O2
|
|
|
176
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
177
|
Cc1ccc(cc1)SCCN(C)Cc2cnc(nc2)OC
|
|
|
178
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
179
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
|
180
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
|
181
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccccc4
|
|
|
182
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
|
183
|
CCC(=O)N1CCC(CC1)(c2c(nc(cn2)OC)OC)O
|
|
|
184
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
185
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
186
|
c1ccc2c(c1)CN(CCN2)c3cnc4ccccc4n3
|
|
|
187
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
188
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
189
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
|
190
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
191
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
192
|
CCCCn1c(nnn1)CN2c3cccc4c3c(ccc4)C2=O
|
|
|
193
|
CCCNC(=O)c1c(sc2c1oc(c2)c3ccccc3)C
|
|
|
194
|
c1ccc(cc1)S(=O)(=O)Nc2cc3cnnn3c(n2)N
|
|
|
195
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
196
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
197
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
|
198
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
|
199
|
Cc1ccc2c(c1)-c3c(nn4c(n3)nnn4)C(O2)(C)C
|
|
|
200
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
201
|
c1ccc2c(c1)[C@@H]3Cc4cccnc4[C@]2(C3)O
|
|
|
202
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
203
|
Cc1ccc(cc1)S(=O)(=O)Nn2c(c(nn2)c3ccccc3)C
|
|
|
204
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
205
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
206
|
CCOC(=O)c1c(c2c(nc(nc2n1C)c3ccccc3)C)N
|
|
|
207
|
Cc1cc(on1)n2c(nc3ccccc3c2=O)C
|
|
|
208
|
c1ccc2c(c1)nc(o2)n3c4ccccc4oc3=O
|
|
|
209
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
210
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
211
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
212
|
|
|
|
213
|
CN(C)c1c2c(ncn1)Sc3c(c(ncn3)OC)C=N2
|
|
|
214
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
215
|
c1ccc(cc1)c2c(c3ccc(nc3[nH]2)C(=O)[O-])C4CCCCC4
|
|
|
216
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
217
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
218
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
219
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
220
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
221
|
C[C@@]1(C(=Nc2ccccc2O1)O)C(=O)Nc3ccon3
|
|
|
222
|
c1ccc(cc1)[C@@H]2C=C(N3C(=N2)N=NN3)c4ccccc4
|
|
|
223
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
224
|
Cc1c(sc(n1)C)c2cc(n3c(n2)c(cn3)c4ccccc4)[O-]
|
|
|
225
|
c1cnn(c1)c2cncc(n2)N3CCCC3
|
|
|
226
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
227
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
228
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
229
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
230
|
c1ccc2c(c1)Cc3nc(=O)c4ccccc4n3C2
|
|
|
231
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
232
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
233
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
234
|
CC(=O)N1CN(Cn2c1nc3c2cccc3)CCc4ccccc4
|
|
|
235
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
236
|
c1ccc2c(c1)ncn2c3c(snn3)C(=O)N
|
|
|
237
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
238
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
|
239
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
240
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
241
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
242
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
243
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
|
244
|
CCOC(=O)Cc1c([nH]c(=O)nn1)[O-]
|
|
|
245
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
246
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
247
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
248
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
249
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
250
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
|
251
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
|
252
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
253
|
Cc1cc(no1)/N=C/Cc2nnnn2c3ccccc3
|
|
|
254
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
255
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
256
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
257
|
CC(=O)c1c(cc(cn1)C(F)(F)F)n2cncn2
|
|
|
258
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
259
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
260
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
261
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
262
|
CS(=O)(=O)NCCOc1cc(ncn1)N2CCCC2
|
|
|
263
|
c1ccc(cc1)[C@@H]2C=C(OC(=N2)N)c3ccccc3
|
|
|
264
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
|
265
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
266
|
c1ccn(c1)c2[n-]c(nn2)C(=O)[O-]
|
|
|
267
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
268
|
Cc1c(c(nn1C)n2cnnc2)NS(=O)(=O)c3c[nH]cn3
|
|
|
269
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
|
270
|
CCc1ccc(cc1)[C@@H]2c3cc(ccc3-c4c2nc(o4)N)N
|
|
|
271
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
272
|
C[C@@H](c1ccccc1)N(C)Cc2nccn2C
|
|
|
273
|
CS(=O)(=O)N1CCC(CC1)n2cc(nn2)c3ccsc3
|
|
|
274
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
|
275
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
|
276
|
CC1(O[C@@H]2[C@@H]3C=C[C@H]([C@@H]2O1)C(=C3C(=O)[O-])C(=O)OC)C
|
|
|
277
|
|
|
|
278
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
279
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
280
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
|
281
|
|
|
|
282
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
283
|
Cc1cc2n3c(cc(n3)C)n4c(n2n1)cc(n4)C
|
|
|
284
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
|
285
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
286
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
|
287
|
CC/C=C(C)/C=C/C/C(=C/[C@@H](C(=O)N1CC[C@@H]([C@@H]1OC)O)O)/C
|
|
|
288
|
Cc1cc(=O)n2c([nH]1)c(c(n2)NC)c3nc(no3)c4ccccc4
|
|
|
289
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
290
|
CCC(=O)Nc1cnn(c1)Cc2nnnn2CCOC
|
|
|
291
|
Cc1cc(n(n1)C)NS(=O)(=O)c2c(n(cn2)C)Cl
|
|
|
292
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
293
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
|
294
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
295
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
|
296
|
Cn1c(ccn1)c2cc(on2)C(=O)[O-]
|
|
|
297
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
298
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
299
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
300
|
CC(=O)Nc1nnc(s1)Cc2[nH]c3ccccc3n2
|
|
|
301
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
302
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
303
|
c1ccc(cc1)C(=O)C=c2sc(=CC(=O)c3ccccc3)s2
|
|
|
304
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
305
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
|
306
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
307
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
308
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
309
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
310
|
COCCn1c(=O)ccc(n1)C(=O)n2c3ccccc3c(n2)N
|
|
|
311
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
312
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
313
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
314
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
315
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
316
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
|
317
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
318
|
Cc1ccnn1CC/N=c/c(=N/CCCOC)/c(c2O)O
|
|
|
319
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
320
|
Cc1cc(n(n1)c2nc(nc(n2)OC)n3c(cc(n3)C)C)C
|
|
|
321
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
322
|
CC(=O)C1C2C(NC(N1)C(=O)C)N(CN2)C(=O)C
|
|
|
323
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
324
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
|
325
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
326
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
327
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
|
328
|
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
|
|
|
329
|
CN1C2C(C(=O)N(C1=O)C)NC3C4CCCCC4OC3N2
|
|
|
330
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
331
|
Cc1c(oc(n1)SCc2nc(nc(n2)N)N)C
|
|
|
332
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
|
333
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
334
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
335
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
336
|
|
|
|
337
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
|
338
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
339
|
CCOc1ccc2c(nc(nc2c1)/N=C/NCCC(=N3)[O-])C
|
|
|
340
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
341
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
342
|
|
|
|
343
|
CCOC(=O)C1=C(C(=O)N(C1)c2ccccc2)N
|
|
|
344
|
CN(C)c1ccc(cc1)[C@@H]2NC[C@@H](O2)CSc3ccccn3
|
|
|
345
|
Cc1cc(nc2c1c(=O)nc3n2ncs3)C
|
|
|
346
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
|
347
|
CCOC(=O)c1nc(on1)Oc2ccc(cc2Cl)Cl
|
|
|
348
|
c1ccc2c(c1)c(=O)n-3c(n2)C(=O)c4c3cccc4
|
|
|
349
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
|
350
|
c1cc(oc1)CN2Cc3cc(=O)n4c(=N[C@@H]5[C@@H]4C=CC=C5)c3=C2N
|
|
|
351
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
352
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
|
353
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
354
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
|
355
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
356
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
357
|
c1ccc2c(c1)ncc(n2)n3cnc(n3)C#N
|
|
|
358
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
359
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
360
|
Cc1cc([nH]c(=O)c1C2=CC(=NCCN2)C(F)F)C
|
|
|
361
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
|
362
|
CCOCc1cn(c(nc1=[NH2+])C)CC(=O)c2ccccc2
|
|
|
363
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
364
|
CCc1cccc2c1[nH]cc2C=C3C(=O)N(C(=O)N(C3=O)C)C
|
|
|
365
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
366
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2c(cc(n2)C)C
|
|
|
367
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
|
368
|
CC(C)(C)C1=CC(=O)/C(=c/2cccc3c2=NNN3)/C=C1
|
|
|
369
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
370
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
371
|
CC1(c2nnnn2-c3cc(ccc3C(=O)N1)C(=O)OC)C
|
|
|
372
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
|
373
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
374
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
|
375
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
376
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
377
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
378
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
379
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
380
|
Cc1c2c([nH]n1)C(=O)N([C@H]2c3ccccc3)c4ccccn4
|
|
|
381
|
Cn1cc(nc1)S(=O)(=O)Oc2ccsc2C(=O)OC
|
|
|
382
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
383
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
|
384
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
385
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
386
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3c(=O)ccc(n3)c4ccco4
|
|
|
387
|
Cc1c(non1)OCCNC(=O)C23CC4CC(C2)CC(C4)C3
|
|
|
388
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
389
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
|
390
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
391
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
|
392
|
C1CCC2C(C1)[C@@H](N3C4CCCCC4C(=O)C3=N2)O
|
|
|
393
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
394
|
Cc1cc(=O)n2ccc3c(c2n1)oc(n3)C
|
|
|
395
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
396
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
397
|
|
|
|
398
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
399
|
C1CCC(CC1)C2=CC[C@@]3(CC=C(N=C3N2)C4CCCCC4)C#N
|
|
|
400
|
c1cc(sc1)c2cc(c(nn2)O)NC(=O)C3CCC3
|
|
|
401
|
Cc1nc(on1)[C@@H]2CC(=O)N(C2)c3ccccc3
|
|
|
402
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
403
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
|
404
|
|
|
|
405
|
CCN(CC)C1=Nc2ccccc2-n3ccnc3C1
|
|
|
406
|
c1ccc(cc1)[C@@H]2C=C(n3c(ncn3)N2)c4ccccc4
|
|
|
407
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
408
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
|
409
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
410
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
411
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
412
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
|
413
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
414
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
|
415
|
C1CCC2C(C1)CC3C(N2)-C4C(C5COCC5C(=O)N4C3)O
|
|
|
416
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
417
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
418
|
Cc1nc(no1)c2cc(sc2)S(=O)(=O)NC3CC3
|
|
|
419
|
Cc1cc(nc(n1)SCc2ccon2)O
|
|
|
420
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
421
|
c1ccc2c(c1)cc(c(=O)o2)C3=Nc4ccccc4S(=O)(=O)N3
|
|
|
422
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
423
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
424
|
c1ccc(cc1)n2c(nnn2)Cn3c4ccccc4oc3=O
|
|
|
425
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/c2cccn2C)[O-]
|
|
|
426
|
c1ccc2c(c1)ncn2c3c(nc4nccn4n3)C(F)(F)F
|
|
|
427
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
428
|
Cc1c(cno1)c2cnc(s2)c3ccccn3
|
|
|
429
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
430
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
431
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
|
432
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
|
433
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
|
434
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
435
|
Cc1cccc(n1)c2nnc(o2)c3csc(n3)N4CCOCC4
|
|
|
436
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
437
|
|
|
|
438
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
|
439
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
440
|
Cc1c2c(nnc(c2[nH]n1)Cc3ccco3)C
|
|
|
441
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
442
|
c1c(n(nn1)c2cncc(n2)Cl)CO
|
|
|
443
|
Cc1ccc(cc1)SC(=O)N/C=C/c2ccsc2
|
|
|
444
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
445
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
|
446
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
447
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
|
448
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
449
|
Cc1c(cnc2c1c3cc(ccc3o2)O)C(=O)C
|
|
|
450
|
C1CCC(C(C1)C2=C/C(=C/3C=CC=CC3=O)/C=NN2)O
|
|
|
451
|
c1cc(ccc1OC=CNN/C2=C/3C=CC(=O)C=C3[O-])F
|
|
|
452
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
|
453
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
|
454
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
455
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
456
|
CCCCn1c(c(c2c1ncn(c2=[NH2+])c3nccs3)C)C
|
|
|
457
|
c1ccc2c(c1)CO[C@@]3(N2)c4ccccc4NC3=O
|
|
|
458
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
|
459
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
460
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
461
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
462
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
463
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
|
464
|
CCn1c2ccccc2nc1c3cnn(n3)c4ccccc4
|
|
|
465
|
COC1CCC(CC1)C2NNC3N2SC4C3CCCC4
|
|
|
466
|
C1CCC2CC3C(CC2C1)[C@@]4(C5CCCCC5C(=O)[C@@]4(O3)O)O
|
|
|
467
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
468
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
469
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
|
470
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
471
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
|
472
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
473
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
474
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
|
475
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
476
|
Cn1c(nnn1)Sc2nccc(n2)OC
|
|
|
477
|
Cc1ncc(n1c2nc(cs2)c3ccccc3)NC(=O)C
|
|
|
478
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
479
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
480
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
|
481
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
482
|
c1ccc2c(c1)c3c(o2)c(c4c(n3)CCS4)c5ccco5
|
|
|
483
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
484
|
Cc1cc(=O)n2c(n1)sc(n2)n3cnc(n3)C#N
|
|
|
485
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
486
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1c3ccccc3)c4ccco4
|
|
|
487
|
CC1CCCC(C1)N2C3NC4CCCCC4N3C(N2)C(=O)C
|
|
|
488
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
489
|
C1CCC2C(C1)C(=O)C3C(O2)CC4(CCCCC4)OC3=O
|
|
|
490
|
COCCSc1nnc(n1C2CC2)c3c[nH]c4c3cccc4
|
|
|
491
|
CCOc1ccccc1N[C@@]2(CSc3n2c(=O)cc(n3)C)O
|
|
|
492
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
|
493
|
C=Cc1c(c(c2n1cccc2)c3c4ccccc4c(=O)[nH]n3)N
|
|
|
494
|
Cc1cc(n(n1)c2ccccn2)Nc3c(=O)[nH]c4ccccc4n3
|
|
|
495
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
496
|
|
|
|
497
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
|
498
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
499
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
500
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
501
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
502
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
|
503
|
Cc1nc([nH]n1)c2c[nH]nc2N
|
|
|
504
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
|
505
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
|
506
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
507
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
508
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
509
|
c1ccc(c(c1)NC(=O)[C@@H]2CC(=O)N=C3[C@@H]2C(=O)CCC3)F
|
|
|
510
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
511
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
|
512
|
|
|
|
513
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
|
514
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
515
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
516
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
|
517
|
CC[C@@H]1C2CC-3N(C(=O)C2COC1=O)CC4C3CCCC4
|
|
|
518
|
Cc1cnnn1c2c(nn(c2C)C)C
|
|
|
519
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
|
520
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
521
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
522
|
CCOC(=O)c1ns/c(=NCCCC#N)/n1C
|
|
|
523
|
CCOC(=O)c1cnn2c1nnn(c2=O)c3ccccc3
|
|
|
524
|
|
|
|
525
|
Cc1nnc(n1c2ccc(cc2)OC)Sc3ccccn3
|
|
|
526
|
CSc1nc(cc(n1)n2cnc3c2cccc3)c4ccccc4
|
|
|
527
|
CC1=[NH+]c2ccc(cc2-c3c(c4ccccc4[nH]3)N1)Cl
|
|
|
528
|
[H]/N=c/nc(ss1)SCc2ccc(cc2)C(=O)OC
|
|
|
529
|
c1cocc1c2nc(no2)C(=O)[O-]
|
|
|
530
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
|
531
|
CCCc1nncn1NC(=O)OCC
|
|
|
532
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
533
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
534
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
|
535
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
|
536
|
c1ccc(cc1)C(=O)[C@@]2([C@@H](c3ccccc3O2)O)Cn4cncn4
|
|
|
537
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
|
538
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
539
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
540
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
541
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
542
|
Cc1ccn(n1)CCc2nc(no2)Cc3ccsc3
|
|
|
543
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
544
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
545
|
CCCCc1ncc(n1C(=O)C)COC(=O)C
|
|
|
546
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
547
|
CCNC(=O)Oc1c2ccccc2on1
|
|
|
548
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
549
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
550
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
551
|
c1ccc(cc1)C2=C(NNC(=[NH2+])N2)c3ccccc3
|
|
|
552
|
CC(=O)N[C@H]1c2nc(cn2[C@@H]([C@H]([C@@H]1O)O)CO)CC(=O)[O-]
|
|
|
553
|
CC(C)C(=O)/N=c/1[nH]cnc2n1ncn2
|
|
|
554
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
555
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
|
556
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
557
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
|
558
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
|
559
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
560
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
|
561
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
|
562
|
Cc1ccn(n1)CC/N=C/[C@@H](C(=O)C2=O)NCCCOC
|
|
|
563
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
|
564
|
CC1NNC2N1-C3CCCCC3-C4C(C5CCCCC5[NH]4)C2
|
|
|
565
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
566
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|