(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
2
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
3
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
|
4
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
|
5
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
6
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
7
|
Cc1ccc(cc1)C2=Nc3ccccc3NC(=N2)c4ccncc4
|
|
|
8
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
9
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
|
10
|
CCCCN1c2cccnc2-c3c(cccn3)N=C1c4ccccc4
|
|
|
11
|
Cc1cc(c(c(c1)O)c2c(c[nH]n2)c3nc(cs3)C)O
|
|
|
12
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
|
13
|
COc1ccc(cc1)n2c3ccccc3nc2Cn4cnc(n4)C#N
|
|
|
14
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
15
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
|
16
|
c1ccc(cc1)Nc2nc(nc3n2ncc3C#N)Nc4cccnc4
|
|
|
17
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
|
18
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
19
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
20
|
|
|
|
21
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
|
22
|
Cc1c(cnc(c1C#N)N)Cc2cc(ccc2OC)OC
|
|
|
23
|
Cc1c(oc2c1cc(c(c2)OC)/C(=C/C(=N/c3[nH]ncn3)/[O-])/C)C
|
|
|
24
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
|
25
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
|
26
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
|
27
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
|
28
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
|
29
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
30
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
31
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
|
32
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
33
|
|
|
|
34
|
c1cc(ccc1c2ccc(o2)/C=C/c3ccc(cn3)C#N)F
|
|
|
35
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
36
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
37
|
c1[nH]c2c(n1)c(ncn2)Nc3c(c4c(s3)CCCC4)C(=O)N
|
|
|
38
|
CC(C)[C@@H]1[C@@H](N=C(O1)c2ccccc2)n3c4ccccc4nn3
|
|
|
39
|
c1cc(ccc1C(F)(F)F)Nc2c3ccncc3on2
|
|
|
40
|
c1cnc(cn1)c2cnoc2C3CCN(CC3)C(=O)C4CC4
|
|
|
41
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
42
|
c1ccc(cc1)[C@@H]2C=C(N=C3C2=C(NC(=O)N3)[O-])c4ccccc4
|
|
|
43
|
C1CCC(CC1)C2NOC(=O)N2CC3CN4CCSC4N3
|
|
|
44
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
|
45
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
|
46
|
c1ccc2c(c1)C[C@@H]3[C@H]([C@@H]2/C=C/c4ccccn4)COC3=O
|
|
|
47
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
|
48
|
CCc1nnc(c2n1c(nn2)c3ccc(cc3)F)[O-]
|
|
|
49
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
50
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
51
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
|
52
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
53
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
54
|
c1ccc(cc1)/C(=C/c2cccnc2)/N3CCCCC3
|
|
|
55
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
56
|
CCOC(=O)c1c(c(ccc1N(C)C)[C@@H]2C=CNC(=O)N2)C
|
|
|
57
|
c1ccc(cc1)c2nnc(o2)Cn3c4ccccc4sc3=O
|
|
|
58
|
CC1(C=C(c2c1ccc(c2)C#N)n3ccccc3=O)C
|
|
|
59
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
|
60
|
Cc1nc(c(o1)NCCc2nc(no2)c3ccccc3)C#N
|
|
|
61
|
CCc1c(nn2c1N/C(=C/3C=C([NH+]=N3)C4CC4)/C=C2O)C
|
|
|
62
|
COC(=O)c1c2n(cn1)C[C@@H](OC2=O)COc3ccccc3
|
|
|
63
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
64
|
Cc1nc2c3c(ncn2n1)OC4=NN=C([C@H]4[C@H]3c5ccccc5)C
|
|
|
65
|
COc1cccc(c1)C2=CCN(CC2)Cn3cnc(n3)C(=O)OC
|
|
|
66
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
67
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
68
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
69
|
Cc1ccc2nc(cn2c1)Cn3nc(nn3)c4ccccc4
|
|
|
70
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
71
|
c1ccc(cc1)n2c(cnn2)Cn3cnc4ccccc4c3=O
|
|
|
72
|
CC1(c2ccccc2N([C@@]13C=Nc4c5cccnc5ccc4O3)C)C
|
|
|
73
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
74
|
CCOC(=O)c1c([nH]c(=O)[nH]1)CSc2ccccn2
|
|
|
75
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
76
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
|
77
|
c1ccc2c(c1)ccc(c2Cn3c4c(nn3)CC=CC4)O
|
|
|
78
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
79
|
c1(nc(nc(n1)N)N)C(=O)[O-]
|
|
|
80
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
81
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
82
|
c1ccc(cc1)c2cc(cc([o+]2)c3ccccc3)c4ccc(cc4)O
|
|
|
83
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
84
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
85
|
CSc1nc(sn1)SCSc2[nH]c3ccccc3n2
|
|
|
86
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3cc4c(s3)CCC4
|
|
|
87
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
|
88
|
|
|
|
89
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
90
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
|
91
|
C1CCCC(C1)C(=C/C2=C/C3CCNCC3)[C@@H](C4CCNCC4)O
|
|
|
92
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
|
93
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
|
94
|
C=CCn1c(=O)n(c(=O)n(c1=O)CC=C)CCn2cccn2
|
|
|
95
|
|
|
|
96
|
Cn1c(c(c(=O)n(c1=O)C)C(=O)c2cc(on2)c3ccco3)[O-]
|
|
|
97
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
98
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
99
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
100
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
101
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
|
102
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
103
|
Cc1c-2c(n(n1)c3ccccn3)CCc4c2onc4
|
|
|
104
|
CCCSc1ncc(cn1)CN2CCCn3c(cc(n3)C#N)C2
|
|
|
105
|
c1ccc2c(c1)/C(=Cc3c(n4c(nc3=O)scn4)N)/C=N2
|
|
|
106
|
Cc1ncc(s1)CN(C)[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
107
|
Cc1cc(n(n1)CCc2nc(on2)c3ccccc3)C
|
|
|
108
|
CCc1nc(on1)Cn2c3ccccc3ncc2=O
|
|
|
109
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
|
110
|
COc1ccc2c(c1)C=C(CO2)CNc3cccnc3
|
|
|
111
|
CCCNC(=O)CSc1c(nccn1)Sc2ccccc2
|
|
|
112
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
|
113
|
c1ccc(cc1)c2ccc(cc2)c3cc(c4c(n3)ocn4)C(=O)[O-]
|
|
|
114
|
c1ccc(cc1)c2nnn(n2)Cn3c(=O)c4ccccc4nn3
|
|
|
115
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
|
116
|
c1ccc(cc1)Oc2ccccc2c3cc4c(nc3)nn[nH]4
|
|
|
117
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
|
118
|
CCNc1c(cc(c2c1nccc2)Cc3cnc(nc3N)N)C
|
|
|
119
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
120
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
|
121
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
122
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
123
|
Cc1c(=O)n2c(nn1)SC[C@@H]2CSc3ccccc3
|
|
|
124
|
COc1cccc(c1)c2nc(on2)Cc3cnc4ncnn4c3
|
|
|
125
|
c1ccc2c(c1)c(c-3c(n2)CSc4c3cc(cc4)Cl)C(=O)[O-]
|
|
|
126
|
c1cc2n(c1)CCN(C2)/C(=N/c3[nH]nc(n3)c4ccco4)/[O-]
|
|
|
127
|
C[C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)c2nc3c(cccn3n2)N)O)O)O
|
|
|
128
|
COC(=O)Nc1cc(c[nH]1)C(=O)c2ccc(cc2Cl)Cl
|
|
|
129
|
Cc1c(=O)nc2n(n1)cnc3n2nc(c3)c4ccccc4
|
|
|
130
|
c1ccc2c(c1)-c3cccn3[C@@H](N2)c4ccc5c(c4)CCO5
|
|
|
131
|
Cn1c(cc(=O)n(c1=O)C)Cn2nc(nn2)c3ccccc3
|
|
|
132
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
133
|
|
|
|
134
|
c1ccc(cc1)COC(=O)Nc2ccc3c(c2)CCCC=C3
|
|
|
135
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
|
136
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
137
|
Cc1cc(nc2c1c(n[nH]2)S(=O)(=O)N3CCC(CC3)C)C
|
|
|
138
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
|
139
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
|
140
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
141
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
142
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
|
143
|
Cc1c(c2ccccc2n1C)c3cc(n[nH]c3=O)c4ccccc4
|
|
|
144
|
Cc1ccn(/c(=N/C(=O)c2ccnn2C)/c1)C(=O)c3ccnn3C
|
|
|
145
|
C1CC(CNC1)C(=O)N2CC3C(N2)C4=C(CCCC4)CC3
|
|
|
146
|
c1c2c(c(=O)[nH]n1)Sc3cn[nH]c(=O)c3S2
|
|
|
147
|
CCCCC1=N[C@@H]2[C@@H](c3c(c(ncn3)OC)S2)C4=C1CCC4
|
|
|
148
|
Cc1cc(n(n1)c2nc3c(c4ccccc4[nH]3)nn2)C
|
|
|
149
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
|
150
|
Cc1ccc(cn1)CC(=O)OCc2ncc(n2C)Cl
|
|
|
151
|
Cc1nc2cnccc2n1c3ccc(cc3)C4=CC(=O)NCCN4
|
|
|
152
|
CCOC(=O)C1=C([C@@H]2C=C(C=C[C@@H]2N=C1)C)OCC#N
|
|
|
153
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
|
154
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
|
155
|
CCOC(=O)N1CCC(CC1)c2c(c(n[nH]2)O)C
|
|
|
156
|
|
|
|
157
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
|
158
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
159
|
CC1(CC(=O)[C@@H]2[C@H](NC3CCCCC3CC2=N1)C4CCCNC4)C
|
|
|
160
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
|
161
|
c1ccc(cc1)c2nc(co2)Cn3nc(nn3)c4ccco4
|
|
|
162
|
c1ccc(cc1)C2=Nc3ccccc3N[C@H]2C(=O)[O-]
|
|
|
163
|
Cc1cc(nc(n1)n2c3c(cn2)C(=O)CCC3)C
|
|
|
164
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
165
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
|
166
|
c1ccc2c(c1)nc3c(n2)OC[C@@H]4N3CCCC4
|
|
|
167
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
|
168
|
CN1c2ccccc2[C@@]3(C1=O)N=C(c4ccccc4N3C)C(=O)[O-]
|
|
|
169
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
170
|
c1cc(ccc1c2c(n[nH]n2)Nc3c(non3)N)Cl
|
|
|
171
|
CC1([C@@](c2ccccc2O1)(c3ccc4ccccc4n3)O)C
|
|
|
172
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
|
173
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
|
174
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
175
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
176
|
|
|
|
177
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
178
|
Cc1c(nc2ccccc2n1)OCc3nc(no3)C4CC4
|
|
|
179
|
CC1=CC(C=C2N1C(=O)C[C@@H](N2)C(=O)Nc3ccccc3)(C)C
|
|
|
180
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
|
181
|
CN1CC[C@@H](c2c1cccc2)n3c4ccccc4nn3
|
|
|
182
|
c1ccc(cc1)c2cc(nc3c2c4c(o3)oc(n4)N)c5ccccc5
|
|
|
183
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
|
184
|
CC(C)(C)c1cc(c2c([o+]1)-c3ccccc3OC2)c4ccccc4
|
|
|
185
|
|
|
|
186
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
|
187
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
|
188
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
|
189
|
c1ccc2c(c1)N3CN(CN=C3N2CO)Cc4ccc(cc4)Cl
|
|
|
190
|
CC(=O)n1c2ccccc2c3c1sc(c3C#N)N4CCCCC4
|
|
|
191
|
CC1C(CC(NN1)C2CCCCC2)N(C)C3CCCCC3
|
|
|
192
|
Cc1ccc(cc1)n2c(nnn2)c3csc(n3)c4ccccc4
|
|
|
193
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
194
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
195
|
c1cc(oc1)c2cn3c4ccc(c(c4n5c3c2CCCC5)F)F
|
|
|
196
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
|
197
|
Cn1c(=O)c(c([nH]1)c2ccncc2)C(=O)c3ccc4c(c3)OCO4
|
|
|
198
|
Cc1cc(c(n1CC=C)C)C(C)(C)c2cc(n(c2C)CC=C)C
|
|
|
199
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
200
|
COC(=O)CC/C(=C/1C(=O)CC(=N1)c2ccccc2)/[O-]
|
|
|
201
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
202
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
203
|
Cc1ccc2c(c1)c(=O)c(co2)c3nnc(s3)N
|
|
|
204
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
205
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
|
206
|
|
|
|
207
|
|
|
|
208
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
|
209
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
|
210
|
CCOC(=O)C1=C(CN(C1)Cc2ccccc2)c3ccccc3
|
|
|
211
|
Cc1c(oc(n1)Sc2cnc3ccccc3n2)C
|
|
|
212
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
213
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
|
214
|
Cc1nnc(s1)Sc2cnc3ccccc3n2
|
|
|
215
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
|
216
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
217
|
Cc1cc(=O)n2c(n1)sc(n2)Sc3ncnn3N
|
|
|
218
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
|
219
|
CC1=NC(=NC(=CC1)C)Nc2[nH]c3ccccc3n2
|
|
|
220
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
|
221
|
c1cnccc1C2c3c(c(n[nH]c3=O)[O-])Nc4c2c(=O)[nH]nc4[O-]
|
|
|
222
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
|
223
|
Cc1cs/c(=N/c2c(nc[nH]2)C(=O)N)/n1c3ccccc3
|
|
|
224
|
Cc1ccc2c(c1)c(cc(=O)o2)N3C[C@H]4C[C@@H]3c5n4c(=O)ccc5
|
|
|
225
|
c1cnc(nc1)N2CCC[C@H]2c3nc(no3)c4cncnc4N
|
|
|
226
|
c1ccc(cc1)N2CCC(=CC2)c3nc(on3)CCC(=O)[O-]
|
|
|
227
|
c1ccc(c(c1)c2nnc3n2N=C(CS3)c4ccc(cc4)F)O
|
|
|
228
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
|
229
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
230
|
CC(C)(C)C[C@@](Cn1ccnc1)(c2ccccn2)O
|
|
|
231
|
Cc1nc2cc(ccc2s1)/[NH+]=c/ccc4ccccc4n3C
|
|
|
232
|
C=C1/C(=C/C2=CC3CCCCC3OC2)/C(=O)N([NH]1)C4CCCCC4
|
|
|
233
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
|
234
|
c1ccc(cc1)c2c(oc3n2c(=O)ccc(=O)n3)c4ccccc4
|
|
|
235
|
Cc1cc(c(cc1Cl)C)SC(=O)N/C=C/c2ccco2
|
|
|
236
|
c1ccc2c(c1)C3=NC(=N[C@H]3C2=O)C(=O)c4ccccc4C(=O)[O-]
|
|
|
237
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
238
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
239
|
Cn1c(=O)ccn(c1=O)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
240
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
241
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
|
242
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
|
243
|
c1ccc(cc1)c2c([nH]nc2c3[nH]c4ccccc4n3)c5ccco5
|
|
|
244
|
c1cc(sc1)c2cnnc(n2)[O-]
|
|
|
245
|
CN(C)C1CCC(CC1)/C=C/C2C3C(NCCN3)NC(N2)N
|
|
|
246
|
c1c2c(sc1Cn3cc(c(nc3=O)[O-])C#N)CCCC2
|
|
|
247
|
COc1ccc(cc1)/C=C/C(=O)N=C(S2)CC(=O)C3CC3
|
|
|
248
|
CCc1nc([nH]n1)NC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
249
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
250
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
|
251
|
C[C@@H]1c2nc3ccccc3n2CN(CO1)c4ccc(cc4)F
|
|
|
252
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
|
253
|
CC(C)NC(=O)OCC[S@@](=O)C1C(C(NN1C)CL)CL
|
|
|
254
|
C[C@@]1(C(=O)Nc2ccccc2O1)c3nc(no3)c4ccncc4
|
|
|
255
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
|
256
|
c1cc(ccc1c2ncc3c(n2)-c4ccsc4SC3)C(=O)N
|
|
|
257
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
|
258
|
C[C@@H]1c2nc3ccccc3n2[C@@H](O1)c4ccccc4
|
|
|
259
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
260
|
C1CCc2nn3c(n2CC1)c(c(nc3=O)SCC(=O)N)C#N
|
|
|
261
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
|
262
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
263
|
C1CCC(CC1)C(=O)C2C3CCCCC3C4N2C(=O)[NH]C(=O)[NH]4
|
|
|
264
|
C1CCC2C(C1)C3C(O2)C(=O)C(CS3)C(=O)[O-]
|
|
|
265
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
|
266
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
267
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
|
268
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
269
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
|
270
|
|
|
|
271
|
C1CCC(CC1)C2C(C3N(N2)-C4CCCCC4[C@@H]3CO)O
|
|
|
272
|
|
|
|
273
|
c1cc([nH]c1)c2nnc(o2)Sc3ccc(cn3)C#N
|
|
|
274
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
275
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
|
276
|
CC(=O)N[C@@H](CS/N=N/c1ccccc1)C(=O)[O-]
|
|
|
277
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
|
278
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
279
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
|
280
|
CN(C)c1ccc(cc1)/C=C/C2=NC(=O)N[C@@H](C2)C(F)(F)F
|
|
|
281
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
282
|
Cc1cn2c3c1CCCCn3c(n2)CN4CCCc5c4cccc5
|
|
|
283
|
Cc1c(sc(c1C#N)Nc2c(nc3ccccc3n2)Cl)C
|
|
|
284
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
|
285
|
COc1ccccc1n2ccnc(c2=O)N
|
|
|
286
|
CCCC(=O)/[NH+]=c/cc(c-2c(oc3ccccc3c2n1)O)C
|
|
|
287
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
|
288
|
c1ccc(cc1)c2cc(c(nn2)c3ccccc3)c4ccco4
|
|
|
289
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
290
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
291
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
292
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
|
293
|
|
|
|
294
|
|
|
|
295
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
296
|
CN1CCc2c(c(nc3c2c(n[nH]3)N)Nc4ccc(cc4)OC)C1
|
|
|
297
|
CC1(Cc2ccccc2-c3n1c4c(c3)nc5ccccc5n4)C
|
|
|
298
|
c1ccc2c(c1)cc(c(=O)o2)C3=CSC(=C4C=CC(=O)C=C4)[N-]3
|
|
|
299
|
|
|
|
300
|
COc1ccc(nn1)[C@@H](C#N)c2nc3ccccc3s2
|
|
|
301
|
|
|
|
302
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
303
|
CCOC(=O)c1cccnc1SNC(=O)Nc2ncccn2
|
|
|
304
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
305
|
Cc1cc(on1)c2cncnc2c3ccc(nc3)N4CCOCC4
|
|
|
306
|
c1cc(ccc1NC(=O)c2cc(=O)[nH+]c(s2)N)F
|
|
|
307
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
|
308
|
Cn1c(ccn1)c2c(cnc(n2)NCc3[nH]ncn3)OC
|
|
|
309
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
310
|
CC(=O)N1CCC(CC1)c2c(cnc(n2)C3CC3)c4ccncc4
|
|
|
311
|
Cc1c(sc(n1)c2ccccc2)c3nnc(n3C)SC
|
|
|
312
|
c1ccc(cc1)c2cc(sc(=[N+]3CCCC3)c2)c4ccccc4
|
|
|
313
|
CCc1cc(c(cc1OC)O)c2c(cn[nH]2)c3nc(cs3)C
|
|
|
314
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
315
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
|
316
|
c1ccc(cc1)C2=COc3ccccc3O[C@@H]2C(=O)c4ccccc4
|
|
|
317
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
|
318
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
|
319
|
CC1=CC=CN2C1=[NH+]C(=C3C2=NC(=O)C[C@@H]3c4ccc(cc4)F)[O-]
|
|
|
320
|
Cc1nn2cc(nc2s1)Cn3cnc4c(c3=O)cccc4OC
|
|
|
321
|
Cc1ccc2c(c1)C(=O)[C@@]3(CCN(C3=N2)c4ccccc4)O
|
|
|
322
|
Cc1c(nc(c(c1C#N)C#N)OC)/C=C/c2ccco2
|
|
|
323
|
Cc1c(c(c(o1)C)C(=O)[O-])c2ccc3c(c2)[nH]/c(=NC(=O)OC)/[nH]3
|
|
|
324
|
Cc1ccc(cc1)S(=O)(=O)Oc2nc(cc(n2)C)C
|
|
|
325
|
c1ccnc(c1)c2cc3cccc4c3n2CCNC4=O
|
|
|
326
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
|
327
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
|
328
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
|
329
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
|
330
|
c1ccc2c(c1)c(=O)c(co2)/C=C/c3[nH]c4ccccc4n3
|
|
|
331
|
CSc1nc(c(n1Cc2ccco2)C#N)N
|
|
|
332
|
|
|
|
333
|
c1ccc(cc1)[C@@H]2C3=C(c4ccccc4OC3)N=C5N2N=CN5
|
|
|
334
|
CCn1c(c(c(nc1=O)O)NC)NC(=O)c2c(ncs2)C
|
|
|
335
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
336
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
337
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
|
338
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
339
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
340
|
CCCn1c(nnn1)Cn2cnc3ccccc3c2=O
|
|
|
341
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
342
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
343
|
Cc1c(c([nH]c1/C=C/2C(=C(C(=O)N2)C)C=C)OC)CCC(=O)[O-]
|
|
|
344
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
|
345
|
CCOC(=O)c1nn(c2n1c(=O)cc(n2)N)c3ccccc3
|
|
|
346
|
c1ccc(cc1)[C@@H]2C[C@@H](Nc3n2ncn3)c4ccccc4O
|
|
|
347
|
Cn1c(cnc1Cn2c3ccccc3ncc2=O)Cl
|
|
|
348
|
Cn1c(c(c(=O)n1C)c2ccccn2)c3ccc4c(c3)nccn4
|
|
|
349
|
CCnc(=O)/c(=C/Nc2ccccc2)/s/c1=C(C#N)/C(=O)[O-]
|
|
|
350
|
c1cc(c2c(c1C3=CCCc4c3non4)non2)N
|
|
|
351
|
c1cc(cc(c1)N/C=c/2ccc3c4c2cccc4c(=O)n3)C(=O)[O-]
|
|
|
352
|
c1ccc2c(c1)[C@@H]3[C@H]4C(=Nc5ccccc5N3C2=O)CCCC4=O
|
|
|
353
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
|
354
|
C[C@@]12C(c3ccccc3N1Cc4cc(ccc4O2)N)(C)C
|
|
|
355
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
|
356
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
|
357
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
358
|
c1ccc2c(c1)ncc(n2)Sc3nccs3
|
|
|
359
|
CC1C(N2C(NCN2)NN1)N(C)C3CCCCC3
|
|
|
360
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
361
|
|
|
|
362
|
CC1C(C(=O)NC([NH]1)N)N2C(=O)C3CCCCC3NN2
|
|
|
363
|
c1ccc2c(c1)N3CCCN2c4c3cc(nn4)Cl
|
|
|
364
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
365
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
|
366
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
367
|
C=CCN1C2CCCCC2C(C1O)C3=C4CCCCC4=NC3=O
|
|
|
368
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
|
369
|
CCNC(=O)n1cc(c(n1)c2ccccc2)c3ccncn3
|
|
|
370
|
|
|
|
371
|
C1C2N3C(CC(NC3SC2)N)NC1=O
|
|
|
372
|
Cc1c(c(n(n1)c2ccccc2)[O-])/C=C/C=Nc4c3cccc4
|
|
|
373
|
c1cc(ccc1c2c(ocn2)c3ccc4nncn4c3)F
|
|
|
374
|
Cc1c(cnn1c2ccccc2)c3ccnn3C(=O)c4ccco4
|
|
|
375
|
Cc1cc(nc(n1)N)n2c(cc(n2)c3ccco3)C(F)(F)F
|
|
|
376
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
377
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
|
378
|
C=CCc1cccc(c1O)CN2CCn3c(nnc3CO)C2
|
|
|
379
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
380
|
C1CCC2C(C1)[C@H](CO2)NC3NCCCN3
|
|
|
381
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
|
382
|
CN1C(=O)C(=C(C12CCC2)N)S(=O)(=O)c3ccc(cc3)Cl
|
|
|
383
|
C[C@@H](C(=O)c1cn(nn1)c2ccc(cc2)C(=O)C)n3cncn3
|
|
|
384
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
385
|
c1cnccc1c2cnc3c(cnn3c2)C4=CCCC4
|
|
|
386
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
387
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
|
388
|
Cn1cc(c(n1)c2ccncc2)c3ccc4c(c3)C(=O)NC4
|
|
|
389
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
|
390
|
C1C(C(=O)[NH]C(=O)O1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
|
391
|
c1ccc(cc1)[C@@]2(CCn3c4c2cccc4nn3)O
|
|
|
392
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
|
393
|
c1cc(ccc1[C@@H]2C=Cc3cc(cnc3O2)Cl)Cl
|
|
|
394
|
c1ccc(cc1)c2c(c(=O)c3ccccc3[nH]2)C(=O)c4ccccc4
|
|
|
395
|
Cc1ccc(cc1)S(=O)(=O)N2CCN=C(C=C2)C(F)(F)F
|
|
|
396
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
397
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
398
|
|
|
|
399
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
|
400
|
c1cc(cnc1)CNc2cc3c(cn2)ncc(c3NC4CC4)C#N
|
|
|
401
|
C[C@@]12CCC(=O)N1CCN2C(=O)c3ccc(o3)COC
|
|
|
402
|
c1cnc(cn1)NC23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
403
|
c1ccnc(c1)c2ccc(s2)NC(=O)N3CCOCC3
|
|
|
404
|
CCN([C@H]1CC(=NC1=O)[O-])C(=O)c2ccc(cc2)F
|
|
|
405
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
406
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
407
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
|
408
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
|
409
|
Cc1c2cc(c(=O)c(cc2c([nH]1)C)c3ccccc3)c4ccccc4
|
|
|
410
|
CCCSc1ncc(cn1)CN[C@@H](CC)c2ncnn2C
|
|
|
411
|
Cc1ccc(cc1)[C@@H]2N=C(C(=N2)c3ccccc3OC)C
|
|
|
412
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
|
413
|
c1cc(ccc1c2c(c[nH]n2)N3C=CCCC3=O)Cl
|
|
|
414
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
|
415
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
|
416
|
Cc1c(cn(n1)CC=C)CNCc2c(nns2)C
|
|
|
417
|
c1ccc2c(c1)NC3=C([C@@H](S2)c4ccc(cc4)F)C(=O)OC3
|
|
|
418
|
C[C@@H](c1ccc(c(c1)F)c2ccccc2)c3cc(on3)N
|
|
|
419
|
Cc1cc(c(c(=O)o1)Cc2cc(c3cccnc3c2O)Cl)O
|
|
|
420
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
|
421
|
CC(=O)N1C[C@@H](C=C1c2ccccc2)c3ccccc3
|
|
|
422
|
c1cc2c(c(c(o2)c3ccncc3)c4ccc(cc4)F)nc1
|
|
|
423
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
|
424
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
425
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
426
|
c1cc(ccc1c2c(nn3c2OCCC3)c4ccncc4)F
|
|
|
427
|
CN(C)C(=O)c1coc2c1nc3ccccc3n2
|
|
|
428
|
CC(C)CN(Cc1cnc(nc1)COC)Cc2cnn(c2)C
|
|
|
429
|
c1ccc(c(c1)C(F)(F)F)/N=c/2[nH]cnc(n2)N
|
|
|
430
|
Cc1[nH]c(=O)c2c(n1)N=C(C[C@@H]2c3ccccc3)O
|
|
|
431
|
CC1=NC2=NC(=NC(=O)C2=C1Sc3ccccn3)[NH-]
|
|
|
432
|
C[C@@H]1[C@@H]2[C@@H](N(C(=[NH+][C@@H]2N(C(=O)N1)C)O)C)/C=C/c3ccccc3
|
|
|
433
|
CC1(C=C(c2cc(ccc2C1=O)F)n3ccccc3=O)C
|
|
|
434
|
c1(nnc(nn1)C(=O)[O-])C(=O)[O-]
|
|
|
435
|
COc1ccccc1Cc2c(nccn2)Cl
|
|
|
436
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
|
437
|
c1ccc2c(c1)C(=N[C@@]3(N2C(=O)CC3)C(=O)Nc4nccs4)O
|
|
|
438
|
c1ccc2c(c1)-c3ccccc3C2n4c5ccccc5nn4
|
|
|
439
|
c1ccn2c(c1)nn(c2=O)CCn3c(noc3=O)c4cccs4
|
|
|
440
|
CC(=O)NC1=C(c2ccccc2C1)C3=Cc4ccccc4C3
|
|
|
441
|
c1ccnc(c1)NC(=O)Nc2cccc3c2-c4cccn4C3=O
|
|
|
442
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
|
443
|
c1ccc2c(c1)[nH]c(=O)n2c3csc(n3)c4ccncc4
|
|
|
444
|
c1ccc(cc1)C#CNCCOc2ccccn2
|
|
|
445
|
c1ccc(cc1)C2=CC(NC=N2)(c3ccccc3)c4ccccc4
|
|
|
446
|
c1ccc(cc1)n2cncc2c3nnc(o3)c4cccc(c4)Cl
|
|
|
447
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
|
448
|
c1cc(oc1)c2nnn(n2)Cc3nnnn3C4CC4
|
|
|
449
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
|
450
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
|
451
|
Cc1cc(=O)nc2n1n(c(c2)[O-])c3ccccc3
|
|
|
452
|
Cc1c(c-2c(cn1)CCc3c2cccc3)C#N
|
|
|
453
|
Cc1ncc(o1)Sc2cnc(s2)c3ccccc3
|
|
|
454
|
COC(=O)c1ccc(cc1)NC(=O)/C=c/2[nH]s[nH]c(=C)n2N
|
|
|
455
|
Cc1c(oc(n1)Cn2c(=O)oc(n2)c3ccco3)C
|
|
|
456
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
457
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
|
458
|
c1ccc(cc1)[C@H]2c3ccc(nc3NC2=O)c4ccsc4
|
|
|
459
|
CCCCc1cn(nn1)CC2CCN(CC2)C(=O)C
|
|
|
460
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
|
461
|
Cc1c(nc(nn1)N)/C=C/c2cc(cc3c2cccc3)O
|
|
|
462
|
c1ccc(cc1)c2c3c(cc(cn3)C(F)(F)F)[nH]n2
|
|
|
463
|
c1cc(ccc1C#N)OC(=O)Cc2ccsc2
|
|
|
464
|
Cc1c2cc(sc2nc3c1[nH]c(cc3=O)[O-])c4cccs4
|
|
|
465
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
|
466
|
c1ccc(cc1)n2cccc2c3nc(nc(n3)Cl)Cl
|
|
|
467
|
Cc1nc2cc([nH]c2c(n1)N3CCC=CC3)c4ccccc4
|
|
|
468
|
c1cc(sc1)c2nn(c(=O)n2c3ccncc3)CCC#N
|
|
|
469
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
470
|
c1ccc(cc1)c2noc(=O)n2Cc3nc4ccccc4o3
|
|
|
471
|
c1cc(ccc1SCCCCn2cncn2)Cl
|
|
|
472
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
473
|
Cnccs/c1=NC(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
474
|
Cn1cnnc1c2cccc(c2)[N-]S(=O)(=O)c3cccnc3
|
|
|
475
|
c1ccc(cc1)[C@H]2C(=C(OC2=O)c3ccc(cc3)O)c4ccccc4
|
|
|
476
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
|
477
|
CCOc1ccc(cc1)NC(=O)CN/C2=Nc3ccccc3F
|
|
|
478
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
|
479
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
480
|
c1ccc2c(c1)c-3c4c(nc(=[NH2+])c3c(o2)O)CCCCC4
|
|
|
481
|
C1CC(C(=O)N(C1)CC2NNC(O2)C3CC3)C(F)(F)F
|
|
|
482
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
|
483
|
c1cc(cnc1)CCNCc2cscn2
|
|
|
484
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
|
485
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
|
486
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
487
|
Cc1cc(n(n1)CN2CCN(CC2)Cc3ccccc3)C
|
|
|
488
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
489
|
|
|
|
490
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
491
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
|
492
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
|
493
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
|
494
|
c1ccc(cc1)[C@@]2(CCN(C2)Cc3ccnn3[C@@H]4CCCCO4)O
|
|
|
495
|
c1ccc2c(c1)nc3c(n2)-c4c(non4)CC3
|
|
|
496
|
C1CCC(CC1)NN2CNC3C2C4CCCCC4CC3
|
|
|
497
|
CC(C)(C)OC(=O)N1CCC(=CC1)c2cn(nn2)c3ccccc3
|
|
|
498
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
499
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
500
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
501
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
|
502
|
Cc1cnc(cn1)C(=O)N2CCC[C@@H](C2)c3cc(=O)[nH]c(n3)C
|
|
|
503
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
|
504
|
CC(=O)NC1C=CC(C=C1)CC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
505
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
|
506
|
c1ccc(cc1)c2c(c(sc2SCC#N)C#N)N
|
|
|
507
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
|
508
|
CCOc1ccc(cc1)N2C(=O)CN=C3C2=NCCC3
|
|
|
509
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
|
510
|
CCOC(=O)c1c(cn2c1SCC2=O)c3ccc(cc3)F
|
|
|
511
|
CN1c2ccccc2[C@@](C1=O)(c3nnc(o3)c4ccccc4)O
|
|
|
512
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
|
513
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
514
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
|
515
|
c1ccc2c(c1)c3c(cc(nc3[nH]c2=O)C(F)(F)F)c4ccco4
|
|
|
516
|
c1ccc2c(c1)[C@@H](OC2=O)NS(=O)(=O)c3ccc(cc3)Cl
|
|
|
517
|
c1cc(cnc1)Cc2c3[nH]c4c(c(=O)n3[nH]c2=O)CCC4
|
|
|
518
|
CN1C(CCC1C2=N[C@@H](C=C2)C3CCCCC3)C4CCCCC4
|
|
|
519
|
c1ccc(cc1)n2c(cc(n2)C(F)(F)F)c3ccccc3O
|
|
|
520
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
|
521
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
522
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
|
523
|
c1cc(ccc1C(=C2C=CC(=N)C=C2)c3ccc(cc3)N)N
|
|
|
524
|
c1cc(nc(c1)C(=O)N)[C@@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
|
|
|
525
|
Cc1c(non1)NCn2cnc3c2c(=O)n(c(=O)n3C)C
|
|
|
526
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
527
|
C1CCC2C(C1)C(N3C2SCC3)C4NC(NC(N4)F)F
|
|
|
528
|
CC(C)(C)c1c2c(no1)-c3ccccc3C2=O
|
|
|
529
|
c1ccc2c(c1)ccc3c2[C@@]4(CCO3)c5ccccc5C=C[C@@H]4O
|
|
|
530
|
c1ccc2c(c1)c3n(n2)C(=O)c4ccccc4C3=O
|
|
|
531
|
c1ccc(cc1)CN2CCc3c(c4cccc5c4n3CC(=O)N5)C2
|
|
|
532
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
|
533
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
|
534
|
c1ccc(cc1)CN2CCc3c(c(n4c(n3)ncn4)[O-])C2
|
|
|
535
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
536
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
537
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
|
538
|
Cc1cc(nc(n1)Sc2nc(nc(n2)Cl)NC)C
|
|
|
539
|
CC(C)C1C(C2CC3C(CC2NN1)C4CCCCC4O3)N
|
|
|
540
|
CCOC(=O)Nc1c2c(ccn2C)n/c(=[NH+]C(=O)OCC)/s1
|
|
|
541
|
c1ccc(cc1)CN2C[C@@H](c3c2ncc(n3)c4ccccc4)C#N
|
|
|
542
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
|
543
|
c1ccc(cc1)c2nc3n(n2)Cc4ccccc4C35CCOCC5
|
|
|
544
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
545
|
c1ccc2c(c1)nnn2[C@H]3CCC[C@@H]4N3CCn5c4ccc5
|
|
|
546
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
547
|
c1c(c(c(=O)n(n1)Cc2c(snn2)Cl)Cl)Cl
|
|
|
548
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
|
549
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
|
550
|
CC(=O)NCn1cc(c(=O)o1)c2ccc(cc2)c3ccccn3
|
|
|
551
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
552
|
CN(Cc1ccc(s1)Cl)Cn2cc(nn2)C(=O)OC
|
|
|
553
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
|
554
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
|
555
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
556
|
CSc1nc2nnc(c(n2n1)N)c3[nH]c4ccccc4n3
|
|
|
557
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
|
558
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
|
559
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
|
560
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
|
561
|
C1CCC(CC1)/C=C/2[C@@H]3CCCC[C@@H]3C(=O)O2
|
|
|
562
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
563
|
Cc1ccc(cc1OS(=O)(=O)c2c([nH]c(=O)s2)C)C(C)C
|
|
|
564
|
Cc1nc([nH]n1)/N=C(/N2CCc3cc(c(cc3C2)OC)OC)[O-]
|
|
|
565
|
C[C@H]1C=C[C@H]2CCCC[C@H]2[C@@H]1C3CC(C(C(=O)O3)CO)OC
|
|
|
566
|
COC(=O)N1CCc2c(s[nH]c2=O)C1
|
|
|
567
|
c1ccc(cc1)c2c(scn2)Cn3cnc4cnccc4c3=O
|
|
|
568
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|