(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
2
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
3
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
4
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
|
5
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
6
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
7
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
8
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
|
9
|
c1cc2c(cc1C3=CNC(=O)CO3)cc([nH]2)c4ccncc4
|
|
|
10
|
Cc1nc2c(n1C)CCN(C2)C[C@@H](c3ccc(cc3)OC)O
|
|
|
11
|
C/C=C/C=C/C1CC2CC3C(C(C2C(=O)[NH]1)O)CCC3
|
|
|
12
|
c1ccc2c(c1)ncn2/C=C/NC(=O)c3ccc(cc3)Cl
|
|
|
13
|
COc1ccc(cc1OC)/C=C/c2nc(on2)c3ccccc3O
|
|
|
14
|
COc1ccc(cc1)C2=COc3ccccc3C(=O)N2
|
|
|
15
|
CC(=O)Nc1ccc(cc1)C2=NC3=Cc4ccccc4O[C@@H]3O2
|
|
|
16
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
17
|
C[C@@H](c1ccc(nn1)Cl)NC(=O)OCc2ccccc2
|
|
|
18
|
C1CCC(CC1)COC(=O)N[C@@H](CC(=O)N)C2[N-]NNN2
|
|
|
19
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
20
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
21
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
22
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
23
|
[H]/N=C/1C2=NC(=NC(=O)C2=NC(=O)N1CCC)c3cccs3
|
|
|
24
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
25
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
26
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
27
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
28
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
29
|
|
|
|
30
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
31
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
32
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
33
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
34
|
CC1CC(N(C(=O)C1C#N)N/C=C/2C=NC3C2CCCC3)C
|
|
|
35
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
36
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
37
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
|
38
|
c1ccc(cc1)CN2Cc3c(=O)c4ccccc4sc3NC2
|
|
|
39
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
|
40
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
41
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
|
42
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
43
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
|
44
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
45
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
46
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
47
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
48
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
49
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
50
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
51
|
c1ccc(cc1)n2cc(cn2)CN3CCSc4c3cccc4
|
|
|
52
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
53
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
|
54
|
c1ccc(cc1)c2ccc(oc2=O)C(=O)c3ccccc3
|
|
|
55
|
c1ccc(cc1)Cn2c(c(nn2)c3[nH]c4ccccc4n3)N
|
|
|
56
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
|
57
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
58
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
59
|
CCCCc1[nH]cc(n1)c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4
|
|
|
60
|
COc1ccccc1c2ncc(s2)c3nnc4n3cccc4
|
|
|
61
|
c1c2c(sc1C(=O)Nc3nc[nH]n3)CCCCCC2
|
|
|
62
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
63
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
64
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
65
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
66
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
|
67
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
68
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
|
69
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
70
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
|
71
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
|
72
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
73
|
c1cc(cnc1)n2c3c(ccc4c3cn[nH]4)c(n2)C(=O)N
|
|
|
74
|
COc1ccc(cc1)C2=NCC(=NC2)c3ccc(cc3)OC
|
|
|
75
|
c1ccc(cc1)C2=CC(=NC(=O)[C@@H]2C#N)c3ccccc3O
|
|
|
76
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
77
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
|
78
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
79
|
Cn1cccc1c2c(c([nH]n2)SCc3ccccc3)C#N
|
|
|
80
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
81
|
Cc1cc(n(n1)NC(=O)CCc2ccccc2)C
|
|
|
82
|
c1ccc(cc1)/C=C/2CCCC3=C2NC(=O)N[C@@H]3c4ccccc4
|
|
|
83
|
Cc1c(nc(o1)c2ccccc2)C(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
84
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
|
85
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
86
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
87
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=NC(=N2)N3CCOCC3)[O-]
|
|
|
88
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
89
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
90
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
91
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
|
92
|
CCCc1nc(c(s1)C(=O)Nn2cnc3c2cccc3)C
|
|
|
93
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
94
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
95
|
C1CCC(CC1)[C@@H]2CC(=NS(=O)(=O)N2)C3CCCCC3
|
|
|
96
|
c1ccc(cc1)c2ncc(cn2)OC(=O)Cc3ccccc3F
|
|
|
97
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
98
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
99
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
100
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
101
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
|
102
|
c1cc2c(cc1/C=C/c3nnc(o3)c4cnccn4)OCCO2
|
|
|
103
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
104
|
c1ccc(cc1)n2c(c(nn2)c3nc4ccccc4s3)N
|
|
|
105
|
COC(=O)CN1CNC(N1)C2[NH]C(=O)C3C(N2)CCS3
|
|
|
106
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
107
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
108
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
109
|
|
|
|
110
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
|
111
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
|
112
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
113
|
c1cc(ccc1c2ccnc(n2)Cn3cncn3)F
|
|
|
114
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
115
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
116
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
117
|
Cc1c(c2c(c(c1O)C)C[C@@H](O2)CCn3ccc(=O)c(c3C)O)C
|
|
|
118
|
CN(C)C1CCC(CC1)/C=C/C2C3C(NCCN3)NC(N2)N
|
|
|
119
|
Cc1nc(nc(n1)c2ccccc2O)/C=C/c3c[nH]c4c3cccc4
|
|
|
120
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
121
|
c1ccc2c(c1)OC[C@@H](O2)Cn3cc(nn3)C(=O)N4CCCC4
|
|
|
122
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
123
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
|
124
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
125
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
126
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
127
|
CCOC(=O)c1c(c(cn1C)NC(=O)OCc2ccccc2)O
|
|
|
128
|
|
|
|
129
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
130
|
Cc1cs/c(=NC)/n1NC(=O)Nc2ccc(cc2)Cl
|
|
|
131
|
c1ccc2c(c1)[nH]c(n2)c3c(n(nn3)c4cccc(c4)F)N
|
|
|
132
|
Cc1ccc(cc1)NC(=O)COc2cn(nn2)c3ccccc3
|
|
|
133
|
c1ccc2cc(ccc2c1)NC(=O)Sc3[n-]cnn3
|
|
|
134
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
|
135
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
|
136
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
|
137
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
|
138
|
|
|
|
139
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
140
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
|
141
|
Cc1cc(no1)NC(=O)CCn2c(=O)cc3c(n2)CCC3
|
|
|
142
|
COCCN1CNC(=NC1)Nc2nc3ccccc3o2
|
|
|
143
|
|
|
|
144
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
|
145
|
CCn1c(cc(n1)NC(=O)[C@@H]2c3ccccc3OCO2)C
|
|
|
146
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
|
147
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
148
|
Cc1c(sc(=O)n1NC(=O)Cc2ccccc2)c3ccccc3
|
|
|
149
|
c1cc(oc1c2[nH]c3cc4c(cc3n2)[nH]c(=O)[nH]4)[C@@H]5CCCCO5
|
|
|
150
|
CC(C)(C)CNc1c(cnc(n1)C#N)C#CCOc2cccnc2
|
|
|
151
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
152
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
153
|
|
|
|
154
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
|
155
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
156
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
157
|
Cc1ccc(cc1)S/C=C/c3ccccc3C(=O)N2
|
|
|
158
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
159
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
160
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
161
|
c1ccc(cc1)n2cc(nc2)NC(=O)n3ccccc3=O
|
|
|
162
|
Cncc([nH]/c1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
|
163
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
164
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
165
|
c1ccc(cc1)c2ncc(o2)COC(=O)n3ccc(=O)[nH]c3=O
|
|
|
166
|
C[C@@H](c1ccco1)/N=c/2ccccn2C(=O)Nc3ccccc3
|
|
|
167
|
CC1(COC(=N1)CCCOc2ccc(cc2Cl)Cl)C
|
|
|
168
|
|
|
|
169
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
170
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
|
171
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
|
172
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
173
|
c1cc(ccc1n2c(c(nn2)c3nnc4n3CCCCC4)N)Cl
|
|
|
174
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
|
175
|
COc1ccc(cc1)OCc2nc(ns2)Nc3ccccc3
|
|
|
176
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
177
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
|
178
|
COc1ccc(cc1)/N=C/Cc2nc(c(s2)C#N)C(F)(F)F
|
|
|
179
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
180
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
181
|
c1ccc(cc1)c2cc(no2)Cn3cnc4c3cccc4
|
|
|
182
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
|
183
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
184
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
185
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
186
|
|
|
|
187
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
188
|
c1ccc(cc1)[C@@]2(c3cnncc3C(=O)N2)O
|
|
|
189
|
c1ccc2cc(ccc2c1)Nc3ccc(cc3)O
|
|
|
190
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
191
|
|
|
|
192
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
193
|
C1CCC(CC1)C(=O)C#CC2C[NH]C(=O)[NH]C2=O
|
|
|
194
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
|
195
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
196
|
|
|
|
197
|
C1CCC(CC1)[C@@H]2CC/C(=C/3C=CC(=N3)C4CCCCC4)/[NH2+]2
|
|
|
198
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
|
199
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
200
|
|
|
|
201
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
202
|
CC1C(N(C(C1C#C)C)C)/C=C/C(=C/C(=O)OC)/C
|
|
|
203
|
C1COCCN1CCCN2C[C@@]34C[C@@H](O3)CC(=C4C2=O)C(=O)[O-]
|
|
|
204
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
|
205
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
206
|
c1cc(cnc1)c2cc3c(ncnc3o2)NC(=O)C4CC4
|
|
|
207
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
|
208
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
209
|
c1ccc(cc1)OC(=O)N2CC=C(C=C2)n3c4ccccc4nn3
|
|
|
210
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
|
211
|
|
|
|
212
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
|
213
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
214
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
|
215
|
|
|
|
216
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
217
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
|
218
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
|
219
|
Cc1csc(n1)CNc2nc(cnn2)c3ccc(cc3)F
|
|
|
220
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
221
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
|
222
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
223
|
C#CCCCNc1c(=O)n(cc(n1)Cl)c2ccccc2
|
|
|
224
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
225
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
|
226
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
227
|
CCc1nnc(s1)Nc2ccn(n2)Cc3ccccc3Cl
|
|
|
228
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
229
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
230
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
231
|
|
|
|
232
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
233
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
|
234
|
Cc1cc(nc(n1)Nc2c(nn[nH]2)C(=O)C)C
|
|
|
235
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
236
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
|
237
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
238
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
239
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
240
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
241
|
c1ccc(cc1)c2cc([nH]c(=O)n2)c3ccccc3O
|
|
|
242
|
CN1C(=[NH2+])[C@H]([NH+]=C1C2CCCC2)c3cccc(c3)Cl
|
|
|
243
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
244
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
245
|
COc1ccccc1O[C@@H]2C(=O)NC(=NC2=O)c3ncccn3
|
|
|
246
|
c1ccc(cc1)NC(=O)N/C=C/c2cccs2
|
|
|
247
|
COC(=O)Cc1nnn(n1)Cc2nnnn2c3ccccc3
|
|
|
248
|
c1ccc2c(c1)nc(o2)C3=CNc4ccccc4N=C3
|
|
|
249
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
250
|
COc1ccc(cc1)c2c(c3c(ncnc3[nH]2)N)C#N
|
|
|
251
|
Cc1c(nc([nH]1)c2[nH]c(c(n2)C)C)C
|
|
|
252
|
CC(C)/N=c/1ccccn1C(=O)COc2ccc(cc2)Cl
|
|
|
253
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
254
|
CC(=O)Nc1cn(c(n1)C(=O)Nc2cn(c(n2)C(=O)[O-])C)C
|
|
|
255
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
|
256
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
257
|
Cc1ccsc1C(=O)N[C@@H]2CCc3c(cnc(n3)C)C2
|
|
|
258
|
COC(=O)c1c(cc(s1)c2cc(no2)c3ccccc3)N
|
|
|
259
|
|
|
|
260
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
261
|
c1ccc(cc1)[C@@H]2Nc3c(cnn3c4ccccc4)C(=O)N2
|
|
|
262
|
CC(C)(C)c1cc(cc([o+]1)C(C)(C)C)c2cn(c3c2cccc3)C
|
|
|
263
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
264
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
265
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
266
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
267
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
|
268
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
269
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
270
|
COc1cc(ccc1O)C#CC#CCN2CCCCC2
|
|
|
271
|
c1ccnc(c1)NC(=O)Nc2cccc3c2[C@@H]4CCCN4C3=O
|
|
|
272
|
CCOC(=O)C1=C(C[C@@H](N[C@@H]1c2ccccc2)c3ccccc3)N
|
|
|
273
|
CCc1ccn2cc(nc2c1)Nc3ccccc3Cl
|
|
|
274
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
275
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
|
276
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
277
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
|
278
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
279
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
280
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
281
|
c1ccc2c(c1)C(=NS2(=O)=O)Sc3nc4ccccc4o3
|
|
|
282
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
283
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
284
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
285
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
|
286
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
|
287
|
c1ccc(cc1)c2nc(c3n2[nH]c(=O)c4c3cccc4)[O-]
|
|
|
288
|
CSc1nnc(o1)c2cc3c(s2)-c4ccccc4CC3
|
|
|
289
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
|
290
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
|
291
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
292
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
293
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
294
|
CCOC(=O)CCc1cn2cc(nc(c2n1)OC)Br
|
|
|
295
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
296
|
c1c(nc2n1CCS2)CNC(=O)[C@@H]3CC(=O)OC34CCCC4
|
|
|
297
|
CCCc1nc(c2n1nc([nH]c2=O)c3ccccc3OCC)C
|
|
|
298
|
CCCNC(=O)Nc1c(c(c(o1)C)C)C#N
|
|
|
299
|
|
|
|
300
|
Cc1cnc(c(c1OC)C)C[C@@H]2Nc3ccccc3S2
|
|
|
301
|
|
|
|
302
|
c1ccnc(c1)c2cn(cn2)c3cccc(c3)C#N
|
|
|
303
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
304
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
305
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
306
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
|
307
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
308
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
309
|
c1ccc2c(c1)ccc(n2)n3c4ccc5c(c4nn3)sc(n5)C#N
|
|
|
310
|
C(#N)c1c([nH]c(n1)N)C(=O)N
|
|
|
311
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
312
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
313
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
314
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
315
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
316
|
c1ccc(cc1)n2ccc(n2)Nc3nccc(n3)C(F)(F)F
|
|
|
317
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
|
318
|
CC(C)(C)OC(=O)N1CCC(=CC1)C#Cc2ccccn2
|
|
|
319
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
320
|
CCc1cc2c(cnc(c2o1)OC)C(=O)Nc3c(cncn3)C#N
|
|
|
321
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
322
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
|
323
|
COCCOC(=O)NCN1CC(NN1)C2CCCCC2
|
|
|
324
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
|
325
|
Cc1cc2n(n1)[C@@H](CC(=N2)O)C(=O)Nc3ccccc3F
|
|
|
326
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
|
327
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
328
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
|
329
|
CC(C)/C=C/C1=CC2=C(C1)Cc3c2cccc3
|
|
|
330
|
CCc1nc(cn1/C(=C/C(=O)n2cc(nc2CC)C)/[O-])C
|
|
|
331
|
Cc1cc([nH]c1/C=C/2C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
332
|
c1ccnc(c1)n[nH]/c2=NC(=O)COCC3CC3
|
|
|
333
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
334
|
CC(C)(C)OC(=O)N1CCC=C(C1)c2coc3ccccc3c2=O
|
|
|
335
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
|
336
|
c1ccc2c(c1)c(no2)/C=C/c3ccncc3
|
|
|
337
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
338
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
|
339
|
CCNC(=O)Nc1nc2cc(ccn2n1)c3cccnc3
|
|
|
340
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Nc3ccc4c(c3)OCO4
|
|
|
341
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
|
342
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
343
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
|
344
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
345
|
COc1ccc(cc1)C(=O)Oc2cc(n(n2)S(=O)(=O)C)N
|
|
|
346
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
|
347
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
|
348
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
349
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
350
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
351
|
c1ccc2=[NH+]C(=O)C(=c2c1)NNS(=O)(=O)[C@@H]3CC=CC=C3
|
|
|
352
|
Cn1cc(c(=O)n(c1=O)C)n2c(=O)n(c(=O)[nH]2)c3ccccc3
|
|
|
353
|
Cc1c(c(on1)N)c2nc(cs2)c3ccc(cc3)OC
|
|
|
354
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
|
355
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
|
356
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
|
357
|
Cc1ccc2c(c1)C(=O)C[C@@H](O2)c3ncc(n3C)Cl
|
|
|
358
|
Cc1cc(ccc1F)C2=C[C@H]3C(=N2)CC(CC3=O)(C)C
|
|
|
359
|
COc1ccccc1NC(=O)c2c(cc(s2)C(=O)OC)[O-]
|
|
|
360
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
361
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
362
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
363
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
364
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
|
365
|
Cc1csc(=O)n1CCn2nc(nn2)c3ccccc3
|
|
|
366
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
|
367
|
Cc1cc(n(n1)c2ccccc2)Nc3nc4ccccc4s3
|
|
|
368
|
Cc1cc(nc(n1)Nc2nc(on2)COc3ccccc3)C
|
|
|
369
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
|
370
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
|
371
|
Cc1c(oc(c1C#N)NC(=O)CN2CCOCC2)C
|
|
|
372
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
|
373
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
374
|
CC(C)(C)OC(=O)N[C@H](Cc1ccn[nH]1)C(=O)[O-]
|
|
|
375
|
CC1(OC(=O)C(=c2c3cccc4c3c([nH]2)ccc4)C(=O)O1)C
|
|
|
376
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
|
377
|
CC1CSC(=O)N1CCN2C(=O)C3CCCCC3NN2
|
|
|
378
|
Cc1cc([nH]n1)NC(=O)c2cccc(c2)Cl
|
|
|
379
|
CCc1nnc(s1)NC(=O)c2c(ocn2)c3cccs3
|
|
|
380
|
Cc1c(cco1)c2nc3n(n2)C[C@@H]4[C@@H]3C=CC=C4
|
|
|
381
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
382
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
383
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
384
|
[H]/N=C/N[C@H](N/C(=N/c2ccc(cc2)C)/N1)c3ccccc3
|
|
|
385
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
386
|
Cc1cc(c(nc1OC)C)Nc2c(=O)n(nc(n2)C)[C@@H](C)C3CC3
|
|
|
387
|
CCO[C@@H](C)C(=O)/N=c/1[nH]c(n[nH]1)c2ccc(s2)C
|
|
|
388
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
389
|
CCc1c(nc(oc1=O)/C=C/c2ccccc2)[O-]
|
|
|
390
|
CCOC(=O)C1=C2C(=C(C(=N2)O)C(=O)OCC)N=C1O
|
|
|
391
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
|
392
|
Cn1c(nnc1SCC=C)Cn2cnc3c2cccc3
|
|
|
393
|
CCc1cc(c(=O)[nH]c1C)CCC2=N[C@@H]3CCCC[C@@H]3O2
|
|
|
394
|
Cc1ccc(cc1)S(=O)(=O)NC[C@@]23CC(=O)C[C@@H](O2)C=C3
|
|
|
395
|
CCOC(=O)CN1CCC(=CC1)C
|
|
|
396
|
c1cc(oc1)C(=O)c2cn(nn2)c3ccc(c(c3)Cl)Cl
|
|
|
397
|
Cn1cc(cn1)NC(=O)c2cncn2c3ccccc3
|
|
|
398
|
CC1(OC(=O)C(C(=O)O1)CN/C=C/C2=CCCCC2)C
|
|
|
399
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
|
400
|
c1ccc(cc1)c2cn3c(=O)c4ccccc4sc3c2C#N
|
|
|
401
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
402
|
Cc1c2ccccc2nc(n1)NC3=N[C@@H](C=C(N3)COC)O
|
|
|
403
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
|
404
|
c1ccc2c(c1)nc(o2)Nc3nc4ccccc4s3
|
|
|
405
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
406
|
c1nnc(s1)NC(=O)[C@H]2C(=C3CCCCC3=NC2=O)[O-]
|
|
|
407
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
|
408
|
CC(C)(C)CN1C[C@@H](CC1=O)NC(=O)CCc2cnccn2
|
|
|
409
|
c1ccc(cc1)[C@@H]2c3cc4c(cnc5n4ncn5)c(=O)n3C(=O)N2
|
|
|
410
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
411
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
412
|
c1ccc(cc1)S(=O)(=O)Nc2[n-]cnn2
|
|
|
413
|
c1ccc(cc1)c2nnn(n2)n3nc(nn3)c4ccccc4
|
|
|
414
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
|
415
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
416
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
417
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
|
418
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
|
419
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
420
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
|
421
|
c1ccc(cc1)/C=C/Cn2c(=O)c3c(cccn3)oc2=O
|
|
|
422
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
|
423
|
|
|
|
424
|
c1cc(c(cc1c2cn(nn2)C3CCCCC3)Cl)Cl
|
|
|
425
|
c1ccc(cc1)NC(=O)N[C@@H]2[C@@H](N=NS2)C(=O)[O-]
|
|
|
426
|
c1ccc2c(c1)C(=C(CS2)C(=O)Nc3ccccn3)[O-]
|
|
|
427
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
428
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
|
429
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
430
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
|
431
|
COc1ccccc1C/C=C/c2cccs2
|
|
|
432
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
433
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
434
|
c1ccc(cc1)c2cc3nnc(c(n3n2)c4ccco4)C#N
|
|
|
435
|
CN[S@@](=O)NC1CC[NH]C(=O)N1
|
|
|
436
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
|
437
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
|
438
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
|
439
|
|
|
|
440
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
441
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
|
442
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
443
|
c1ccc2c(c1)c(=O)c(c3n2CC(=O)N3)c4[nH]c5ccccc5n4
|
|
|
444
|
COC(=O)NS(=O)(=O)C1=Cc2cccc3c2c1ccc3
|
|
|
445
|
c1ccc(cc1)c2nnc(o2)c3cc4ccccc4oc3=O
|
|
|
446
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
447
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
|
448
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
|
449
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
450
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
|
451
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
|
452
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
453
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
454
|
Cc1cc(nc2c1c3c(o2)C(=O)N(CC(=O)N3)c4ccccc4)C
|
|
|
455
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
|
456
|
Cc1nc(nn1c2ccc(cc2)F)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
457
|
CC1(Cc2c(c(n[nH]2)/C=C/c3ccccc3)C(=O)C1)C
|
|
|
458
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
|
459
|
|
|
|
460
|
c1ccc2c(c1)[nH]/c(=N/C3=NC(=O)C[C@@H](N3)C(=O)[O-])/s2
|
|
|
461
|
CC1CCC(CC1)N2C=C(CC2=O)C3CCCCC3
|
|
|
462
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
463
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
464
|
Cc1c(c(n(n1)c2ccccc2)C)c3nc(no3)c4ccccc4
|
|
|
465
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
466
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
|
467
|
CCCn1c(nnn1)COn2c3cc(ccc3nn2)Cl
|
|
|
468
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
|
469
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
|
470
|
c1ccc(c(c1)[C@H]2[C@@H](CCC(=O)N2)NCC3=COCCO3)F
|
|
|
471
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
|
472
|
c1ccc(cc1)Cc2c(on(c2=O)C(=O)c3ccccc3)N
|
|
|
473
|
Cc1cc2ccccc2n1Cc3nnc(s3)c4ccccc4
|
|
|
474
|
Cc1c(sc(n1)CCn2cccc(c2=O)C(F)(F)F)C(=O)C
|
|
|
475
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
476
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
477
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
478
|
Cc1c(c2n(c(=O)n1)CCN2)C(=O)Nc3ccc(cc3)Cl
|
|
|
479
|
c1ccc2c(c1)C(=O)N[C@@]2(c3[nH]ccn3)O
|
|
|
480
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
481
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
482
|
COc1ccc(cc1OC)[C@@H]2C(=O)[C@@H]3C(=Nc4ccccc4N3)O2
|
|
|
483
|
Cc1cc(nc(n1)SNc2ccccc2OC)C
|
|
|
484
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
485
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
|
486
|
CC(C)CC(=O)N1CCN(CC1)C[C@@H]2C=N[C@@H]3[C@@H]2C=CC=C3
|
|
|
487
|
c1cc2cccc-3c2c(c1)-c4c3sc(c4)CCCC(=O)[O-]
|
|
|
488
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
|
489
|
Cn1ccnc1COc2ccc(cc2)N
|
|
|
490
|
Cc1c(nnc(c1C#N)NCc2ccoc2)C
|
|
|
491
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
|
492
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
|
493
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
|
494
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
|
495
|
C1CCC(CC1)NC2=NC(=O)C(=NC2=O)NC3CCCCC3
|
|
|
496
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
497
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
498
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
499
|
|
|
|
500
|
c1cc(oc1)CNc2[n-]nnn2
|
|
|
501
|
Cc1ccc(cc1)C#Cc2ccco2
|
|
|
502
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
|
503
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
504
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
505
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
|
506
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
|
507
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
|
508
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
509
|
c1cc2c3c(c1)[nH]cc3[C@@H](OC2=O)NC(=O)N
|
|
|
510
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
|
511
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
|
512
|
COc1ccc(cc1)c2cc-3n(n2)C(=O)c4c3cccc4
|
|
|
513
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
514
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
|
515
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
|
516
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
|
517
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
518
|
Cc1ccc(cc1)S(=O)(=O)Nn2c3ccccc3nn2
|
|
|
519
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
520
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
521
|
Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
|
|
|
522
|
CC1(CC(=O)C2(C(=O)C1)OC(=NS2)c3ccc(cc3)Cl)C
|
|
|
523
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
524
|
c1ccc-2c(c1)Cc3c2ccc(c3)n4cccc4
|
|
|
525
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
526
|
Cc1cc(c(c(c1)C)Nc2nc(nc(n2)N3CCC=CC3)C)C
|
|
|
527
|
CC1(C/C(=C/2C=Nc3c2cccc3)/C=C4[C@@]1(c5ccccc5N4)O)C
|
|
|
528
|
c1cc2c(cc1c3ccc(s3)C(=O)N)NCCO2
|
|
|
529
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
530
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
531
|
Cc1c(c([nH]c1C)/C=C/C(=C(C=N2)C)C)C
|
|
|
532
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
|
533
|
|
|
|
534
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
535
|
C1CCC(CC1)C2=CC(=C(C2)C(=O)[O-])C3CCCCC3
|
|
|
536
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
|
537
|
Cn1c(c(c2c1nccc2)[O-])c3[nH]c(=O)c4ccccc4n3
|
|
|
538
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
|
539
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
|
540
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
|
541
|
Cc1c(c[nH]n1)c2nc(no2)c3ccc(cc3)Cl
|
|
|
542
|
Cc1[nH]c(c(n1)[C@@H](c2ccc(cc2)F)C(C#N)C#N)[O-]
|
|
|
543
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
|
544
|
CC1=C([C@@H](CC1)C(=C)C)COC[C@@H](COc2ccccc2)O
|
|
|
545
|
COC(=O)[C@@H](Cc1ccccc1)NC(=O)n2ccccc2=O
|
|
|
546
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
|
547
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4CC3)NC(=O)N2
|
|
|
548
|
Cc1c(n(c(=O)n1c2ccccc2)C)NC(=O)NC3CCCC3
|
|
|
549
|
c1ccc2c(c1)c-3nc4ccc(cc4[nH]n3c2=O)N
|
|
|
550
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
|
551
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
552
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
553
|
CC1(C=C(c2cc(ccc2C1=O)C#N)NC(=O)c3ccccn3)C
|
|
|
554
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
555
|
CCOC(=O)C1CC(CN1C)N2C3CCCCC3NN2
|
|
|
556
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
557
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
|
558
|
CC1=C(Oc2ccccc2N1)C(=O)Nc3ccccc3
|
|
|
559
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
|
560
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
|
561
|
[H]/N=c/n(cc(s1)c2ccccc2)c3ccccc3C
|
|
|
562
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
|
563
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
564
|
Cc1c(sc2c1/c(=[NH+]/Cc3cn4ccccc4n3)/nc[nH]2)C
|
|
|
565
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
566
|
Cc1cccc(c1NC(=O)/N=C/CCCN2C)C
|
|
|
567
|
Cc1c(n[nH]c(=O)c1C#N)/C=C/c2cccs2
|
|
|
568
|
c1ccc(cc1)C#CC#CC#N
|
|
|
569
|