(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
|---|---|---|
|
1
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]c(n3)C(=O)c4c[nH]c5c4cccc5
|
|
|
2
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
|
3
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
|
4
|
c1ccc(cc1)c2cnc(o2)Cn3c(=O)n(nn3)c4ccccc4
|
|
|
5
|
CN1CCNC1CN2CC(CN2)C3CCCC(C3)C4C[NH]NC4
|
|
|
6
|
Cc1cc(nc(n1)n2cc(nn2)C(=O)c3ccccn3)C
|
|
|
7
|
COc1ccnc(n1)Sc2[nH]cc(n2)c3ccccc3
|
|
|
8
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
|
9
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
|
10
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
|
11
|
Cc1ccc(cc1C)Sc2c(cccn2)/C(=N/c3[nH]ncn3)/[O-]
|
|
|
12
|
Cn1ccnc1c2cnc(nc2c3ccco3)NCCCO
|
|
|
13
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
|
14
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
|
15
|
CSc1nc(cc(n1)Cl)[C@@H](C#N)c2cc3ccccc3cn2
|
|
|
16
|
Cc1c(c(nc(n1)C)SCc2nnc(s2)SC)C(=O)C
|
|
|
17
|
CCc1cc2c(cc1O)OC=C([C@@H]2O)c3ccc4ccccc4n3
|
|
|
18
|
CCCOCC(=O)/N=c/1[nH]c(n[nH]1)c2ccccn2
|
|
|
19
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
|
20
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
|
21
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
|
22
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
|
23
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
|
24
|
Cc1cc(n2c(n1)ncn2)Oc3c(cn(n3)Cc4ccco4)C
|
|
|
25
|
c1ccc(cc1)n2c(=O)c(nc(n2)C(=O)[O-])N
|
|
|
26
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
|
27
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
|
28
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
|
29
|
Cc1nc(cs1)c2nnc(o2)SCC(=O)c3ccccc3
|
|
|
30
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
|
31
|
CCOC(=O)Cn1nc(nn1)CSc2ccc(cc2)Cl
|
|
|
32
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
|
33
|
c1ccc(cc1)n2cc(nn2)c3nc(on3)c4ccc5cc[nH]c5c4
|
|
|
34
|
c1cnnc(n1)c2nccnn2
|
|
|
35
|
CCOC(=O)c1c(c([nH]c1C)c2cn3ccccc3n2)C
|
|
|
36
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
|
37
|
c1ccc(cc1)[C@@H](CSc2nc-3n(n2)CNc4c3cccc4)O
|
|
|
38
|
Cc1cc(ccc1c2ccc(nn2)c3nnc(o3)COC)F
|
|
|
39
|
Cc1cc(c(n1C2CC2)C)C(=O)COc3nnc4n3cccc4
|
|
|
40
|
Cc1cc(nc(n1)Nn2c3ccccc3[nH]c2=O)C
|
|
|
41
|
c1c(cnc(c1Sc2nc([nH]n2)N)C#N)C(F)(F)F
|
|
|
42
|
c1cc(oc1)c2cc(sc2)Nc3ccc(cc3)S(=O)(=O)N
|
|
|
43
|
c1cc(oc1)c2cn3c(n2)sc(n3)c4ccco4
|
|
|
44
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
|
45
|
Cc1ccccc1OCC(=O)Nn2c(nnn2)Nc3ccccc3
|
|
|
46
|
CN(C)C1NC(SN1)C(=O)C2C[NH]C3C2CCCC3
|
|
|
47
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
|
48
|
CC(C)(C)C(=O)OCn1c(noc1=O)c2cccnc2
|
|
|
49
|
Cc1c(n(c(c1c2[nH]c3ccccc3n2)N)C4CCCC4)C
|
|
|
50
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
|
51
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
|
52
|
|
|
|
53
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3csc(n3)c4ncccn4
|
|
|
54
|
c1ccc(c(c1)N)Sc2cc(nnc2Cl)Cl
|
|
|
55
|
c1ccc(cc1)/C=C/c2cc([nH]n2)CCc3[nH]c4ccccc4n3
|
|
|
56
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
|
57
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
|
58
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
|
59
|
c1ccc(cc1)c2nnc(o2)Sc3nc4ccccc4s3
|
|
|
60
|
COC1=CC2CCNC3C2C(C4CCCCC4C3[O-])C1=O
|
|
|
61
|
CCCCCNS(=O)(=O)c1csc(n1)c2ccc(cc2)F
|
|
|
62
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
|
63
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
|
64
|
|
|
|
65
|
c1ccc(cc1)Oc2c(c3ccccc3[nH]2)c4ccco4
|
|
|
66
|
CCOc1c2c(cc([nH]2)C(=O)OCC)nc(n1)OCC
|
|
|
67
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
|
68
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
|
69
|
Cc1nc(on1)S[C@@H](C)c2nc(nc(n2)N(C)C)N
|
|
|
70
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
|
71
|
c1ccc(cc1)C[C@@H](C(=O)[C@@H](C#N)c2ccccn2)n3cnnn3
|
|
|
72
|
Cc1ccc(cc1)Nc2nc(nc(n2)N)c3ccoc3
|
|
|
73
|
c1ccc(cc1)c2cc(on2)Cn3cnc(n3)C#N
|
|
|
74
|
CCO[C@@H]1C2C(NC3CCCCC3N2)-C4CCCCC4N1C(=O)C
|
|
|
75
|
Cc1ccc(cc1)c2c(sc(n2)C)Cc3nnc(o3)N
|
|
|
76
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
|
77
|
c1cnc(nc1)c2nc(cs2)/C=C/c3ccc(cn3)C#N
|
|
|
78
|
CCOc1nnc(s1)Cn2nc(nn2)c3ccccc3
|
|
|
79
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
|
80
|
c1c(nn[nH]1)SCc2nnc(n2N)CSc3cn[n-]n3
|
|
|
81
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
|
82
|
Cc1ccc(cc1)c2nc(c(nn2)C)Sc3ccc(cc3)F
|
|
|
83
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3c4c([nH]cn4)ncn3)O
|
|
|
84
|
CC1CC2CC3CCCNN3C2NN1
|
|
|
85
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
|
86
|
CC1=C[C@@H](c2c1nc3ccccc3n2)c4cnc5ccccc5n4
|
|
|
87
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
|
88
|
C/[NH+]=c/1c(c2n(c3c(n2c(=O)s1)cccn3)C)C#N
|
|
|
89
|
COc1cccc2c1ncn(c2=O)Cc3c4c([nH]n3)CCC4
|
|
|
90
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
|
91
|
Cc1nn(c(=O)n1N)Cc2nnc(s2)Nc3ccccc3
|
|
|
92
|
CCOC(=O)Cc1nc(no1)c2nnc(o2)N
|
|
|
93
|
c1cn[nH]c1c2c(n(nn2)C3CCCCC3)NC4CCCCC4
|
|
|
94
|
C1CCC2C(C1)NC(C3N2NNN3)CC(=O)NCCO
|
|
|
95
|
c1ccc(cc1)[C@@H]2CC=N[C@@H](N2)Nc3nc4ccccc4o3
|
|
|
96
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
|
97
|
COC(=O)c1c2c(nnc(n2nc1C(=O)OC)[O-])c3ccccc3
|
|
|
98
|
c1ccn(c1)c2c(c3c(s2)CN(CC3)c4cccc(n4)F)C#N
|
|
|
99
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
|
100
|
CCCc1nc(on1)CN2CCc3c(nc[nH]3)[C@@H]2c4ccccn4
|
|
|
101
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
|
102
|
c1ccc2c(c1)c(=O)n(nn2)CSc3nnc(o3)C4CC4
|
|
|
103
|
CCOc1nnc(s1)CN(C)Cc2ccco2
|
|
|
104
|
CC1NC(CN1C)S(=O)(=O)[N-]C2CNN(C2)CC(=O)OC
|
|
|
105
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
|
106
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
|
107
|
c1ccc(c(c1)N)Nc2ccc3c(c2)CCc4c(cccn4)C3=O
|
|
|
108
|
c1ccc2c(c1)-c3c(nc4ccccc4n3)C5=NNNN25
|
|
|
109
|
c1(c(n[nH]n1)Cl)c2[n-]nnn2
|
|
|
110
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
|
111
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
|
112
|
C1CCC2C(C1)[C@@](C(=O)N2)(NC3C(NC(C(N3)C#N)C#N)N)O
|
|
|
113
|
COC(=O)Cc1nnn(n1)CC(=O)c2ccc3c(c2)CCC3
|
|
|
114
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
|
115
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
|
116
|
c1ccc2c(c1)CCN2CCCc3nnc4n3CCCCC4
|
|
|
117
|
c1c[nH]nc1c2nccs2
|
|
|
118
|
Cc1cccc(n1)C#Cc2cccc(c2)c3ccco3
|
|
|
119
|
c1ccc(cc1)c2c3c(ccnc3c4c(n2)non4)[O-]
|
|
|
120
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
|
121
|
Cc1c(c-2c(cn1)COc3c2cccc3)C#N
|
|
|
122
|
C[C@@H](c1ccc(cn1)F)Nc2cncc(n2)Nc3cc(n[nH]3)OC
|
|
|
123
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
|
124
|
[H]/N=c/n(cc(o1)c2ccc(cc2)CC)c3nc(cc(n3)C)C
|
|
|
125
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
|
126
|
|
|
|
127
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
|
128
|
Cc1cc(n[nH]1)C(=O)c2c([nH]n(c2=O)C)c3ccncc3
|
|
|
129
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
|
130
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
|
131
|
Cc1csc(n1)Sc2nnc(n2C)c3ccccc3
|
|
|
132
|
Cc1csc(n1)c2c(c(c(s2)SC)c3cc[nH]n3)C
|
|
|
133
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
|
134
|
CCc1nc([nH]n1)Sc2cnc3ccccc3n2
|
|
|
135
|
c1ccc(cc1)c2c3ccsc3nc4c2COCC4
|
|
|
136
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
|
137
|
[H]/N=C/1NC(C2C(O1)C3CCCCC3N(C2=O)C)C
|
|
|
138
|
Cc1c2c(c(cnc2[nH]n1)n3c4ccccc4nn3)c5ccccc5
|
|
|
139
|
c1ccc(cc1)c2nnc(o2)OCc3nc4ccccc4s3
|
|
|
140
|
Cc1ccc(cc1)c2nc(no2)n3c4ccccc4nn3
|
|
|
141
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
|
142
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
|
143
|
c1ccc2c(c1)N=C(C[C@@H](S2)c3cccs3)c4ccco4
|
|
|
144
|
c1ccc(cc1)Nc2nc(nc(n2)N)CN3CCC[C@@H]3C(=O)N
|
|
|
145
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
|
146
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
|
147
|
Cc1ccc(cc1)c2nnc(o2)c3c(cnc(n3)SC)Cl
|
|
|
148
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
|
149
|
CN1C/C(=Cc2sccc2)/C(/C(=C/c3sccc3)/C1)O
|
|
|
150
|
Cc1ccc(cc1)c2nnn(n2)c3c4c(c5ccccc5o4)ncn3
|
|
|
151
|
c1ccc(cc1)c2nccn2c3ccnc(n3)Nc4ccccn4
|
|
|
152
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
|
153
|
COc1ccc(cc1OC2CCCC2)c3ccc(nc3)C(=O)N
|
|
|
154
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
|
155
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
|
156
|
[H]/N=c/1[nH]nc2c(n1)-c3ccccc3C2=O
|
|
|
157
|
c1ccc(cc1)c2nnc(s2)Oc3ccc4ccc(=O)oc4c3
|
|
|
158
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
|
159
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
|
160
|
Cc1c2ccccc2c(nn1)Sc3nccn3C
|
|
|
161
|
CCn1c2c(cc3ccccc3n2)/c(=N/C(=O)CCC(=O)[O-])/[nH]1
|
|
|
162
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
|
163
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
|
164
|
Cc1nc(cn1Cc2c(cccc2Cl)Cl)c3cc[nH]n3
|
|
|
165
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
|
166
|
C1CCC2(CC1)C3=C(CCCC3)n4c(nc(n4)N)N2
|
|
|
167
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
|
168
|
Cc1c(=O)n2c(csc2nn1)c3ccccc3
|
|
|
169
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
|
170
|
CCNc1nnc(s1)Cn2c(cc(n2)C)C
|
|
|
171
|
c1ccc2c(c1)/C(=N/c3[nH]c4ccccc4n3)/NC2=O
|
|
|
172
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
|
173
|
COc1cc(nc(c1)C(=O)Nc2[n-]nnn2)c3ccc(cc3)N
|
|
|
174
|
c1ccc(cc1)c2nnn(n2)c3c4ccsc4ncn3
|
|
|
175
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
|
176
|
Cc1ccc(o1)c2cnnc(n2)NCc3cn4c(n3)SCC4
|
|
|
177
|
Cc1nc2c(s1)c(nnc2[O-])c3ccco3
|
|
|
178
|
COc1ccccc1N2CCN(CC2)[C@@H]3CCc4c(cc[nH]4)C3=O
|
|
|
179
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
|
180
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
|
181
|
c1cc(oc1)c2c3c(c4c(n2)C=C[C@@H]5[C@@H]4C=CC=C5)CCC3
|
|
|
182
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
|
183
|
c1ccc2c(c1)C(=O)c3cccc4c3C2=NNS4(=O)=O
|
|
|
184
|
CCn1c2ccccc2nc(c1=O)[C@H]3c4ccccc4NC3=O
|
|
|
185
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
|
186
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
|
187
|
C=CCSc1nc2c(c(n1)c3cccs3)CCCC2
|
|
|
188
|
c1ccc(cc1)n2nc3ccc4c(c3n2)nc(cn4)N
|
|
|
189
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
|
190
|
COc1ccc(nn1)Sc2[nH]ncn2
|
|
|
191
|
c1ccc(cc1)c2nnn(n2)Cc3ccn(n3)c4ccccc4
|
|
|
192
|
Cc1c(cco1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
193
|
c1ccc(cc1)c2c3ccccn3nc2C(=O)c4ccccc4O
|
|
|
194
|
CC1([C@@H]2CCC(=C)[C@@H](C2)C(=N1)C(=O)C3C[NH]C4C3CCCC4)C
|
|
|
195
|
COc1cnc(nn1)c2cnc(nn2)OC
|
|
|
196
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
|
197
|
c1ccc(cc1)Cn2cnc(n2)NC3=Nc4cccc5c4c3ccc5
|
|
|
198
|
c1ccc-2c(c1)CSc3c2nc(nc3)N
|
|
|
199
|
Cc1nc(cs1)c2nc(nc(n2)OC)N
|
|
|
200
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
|
201
|
CC(=O)O[C@@H](c1ccccc1)C(=O)Nn2c(nnn2)N
|
|
|
202
|
c1ccc(c(c1)/C=c/c(n/c(=C/C(=O)N3CCCC3)/s2)[O-])O
|
|
|
203
|
c1ccc(cc1)c2csc(n2)n3cccn3
|
|
|
204
|
c1cc([nH]c1)c2nnc(nn2)c3ccc[nH]3
|
|
|
205
|
c1c[nH]nc1Nc2c(nc(c(n2)Cl)Cl)Cl
|
|
|
206
|
CCn1c2ccccc2n(c1=O)Cc3nnc(s3)SC
|
|
|
207
|
Cc1cc(c(=O)[nH]n1)Cc2ccco2
|
|
|
208
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
|
209
|
c1ccc2c(c1)C(=CS2(=O)=O)Sc3nc[n-]n3
|
|
|
210
|
Cn1c(=O)c(nn(c1=O)c2ccc(cc2F)F)c3ccn[nH]3
|
|
|
211
|
Cc1ccnc(c1)Nc2ccc(nn2)NCCNC(=O)C
|
|
|
212
|
Cc1c(c(on1)C)c2nc(no2)CN3CCOCC3
|
|
|
213
|
Cc1nc(cs1)c2nc(no2)c3ccc(cc3)CO
|
|
|
214
|
Cc1cc(n2c(n1)nnn2)c3ccccc3
|
|
|
215
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
|
216
|
c1ccc(cc1)c2nc(on2)c3c(=O)ccn(n3)c4ccccc4
|
|
|
217
|
CCCCn1c(c(c2c1ncn(c2=[NH2+])c3nccs3)C)C
|
|
|
218
|
Cc1ccn(n1)CCNC(=O)c2c(n[nH]n2)c3ccccc3
|
|
|
219
|
CCC1NNC(S1)C2C3CCCCC3SN2
|
|
|
220
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
|
221
|
Cc1c(s/c(=NC(=O)NCc2ccccc2)/o1)C(=O)C
|
|
|
222
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
|
223
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
|
224
|
COC(=O)Cn1c(c([nH]c1=O)/C=C/2C=Nc3c2cccc3)O
|
|
|
225
|
c1cc(ccc1Nc2nnc(nn2)NCCCO)Br
|
|
|
226
|
C1NC2C(S1)C(=O)[NH]C(N2)N
|
|
|
227
|
c1ccc(cc1)Nc2nc(nc(n2)N)Cc3cc(n[nH]3)O
|
|
|
228
|
CC1CC2CC3N(C2NN1)N=CCC3
|
|
|
229
|
c1ccnc(c1)CN2c3c(nc[nH]3)C(=O)N4C2=NCC4
|
|
|
230
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
|
231
|
c1ccc2c(c1)c(=O)n(s2)c3nccs3
|
|
|
232
|
c1ccc(cc1)[S@](=O)CCSc2nncs2
|
|
|
233
|
c1ccnc(c1)c2cn(nn2)C3CCN(CC3)C(=O)C4CC4
|
|
|
234
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
|
235
|
COCc1nnc(o1)NC(=O)CSc2[nH]ncn2
|
|
|
236
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
|
237
|
c1ccc(cc1)c2nc(on2)c3c(n(nn3)c4ccccc4)N
|
|
|
238
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
|
239
|
Cc1conc1n2c(=O)nc3ccccc3n2
|
|
|
240
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
|
241
|
C1CCC2C(C1)-C3C(CNCN3)S(=O)(=O)CO2
|
|
|
242
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
|
243
|
Cc1nc(cn1Cc2ccc(cc2)F)c3ccc4ccccc4n3
|
|
|
244
|
c1ccc(cc1)c2nnc(o2)Cc3cn4ccsc4n3
|
|
|
245
|
Cc1cs/c(=Nc2ccccc2F)/n1Cc3cccnc3
|
|
|
246
|
CC(C)(C)c1csc(n1)c2ccc(nc2)n3cncn3
|
|
|
247
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
|
248
|
c1ccc(cc1)n2c(nnn2)Sc3nc4ccccc4o3
|
|
|
249
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
|
250
|
CCOC(=O)c1c([nH]cn1)SC[C@@H](C(=O)[O-])NC(=O)C
|
|
|
251
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
|
252
|
c1ccc2c(c1)nnn2CC(=O)/N=c/3[nH]nc4n3cccc4
|
|
|
253
|
c1cc(ccc1N2CCC(=C2[O-])C(=O)/N=c/3[nH]ccs3)F
|
|
|
254
|
CCCNC(=O)Cc1nc[nH]n1
|
|
|
255
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
|
256
|
Cc1c(c-2c(cn1)CCc3c2cccc3)C#N
|
|
|
257
|
CC1C(C(NC(N1)C)CC2C3CCCCC3NCN2)CL
|
|
|
258
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
|
259
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
|
260
|
CNC(=O)c1c([nH]cn1)Nc2nc3ccccc3s2
|
|
|
261
|
c1cnc(c(n1)C(=O)Nc2[n-]ncn2)C(=O)[O-]
|
|
|
262
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
|
263
|
c1ccc2c(c1)ccc(n2)C3=CNc4ccccc4C3
|
|
|
264
|
c1cc2c(cc1F)c3cnnc(c3[nH]2)SCC(=O)N
|
|
|
265
|
c1ccc2c(c1)nc3n2CN=C4N3CN(CN4)CCO
|
|
|
266
|
CC1C(NC(C(N1)C(=O)NC)OCC2CCCCC2)C
|
|
|
267
|
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
|
|
|
268
|
c1ccc(cc1)c2nnn(n2)Cc3c(snn3)Cl
|
|
|
269
|
CCS(=O)(=O)c1ccc(s1)c2cccc(c2)c3cc[nH]n3
|
|
|
270
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
|
271
|
Cc1ccc(c(=O)[nH]1)C(=O)O/C2=CC3=NC=CC3
|
|
|
272
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
|
273
|
Cc1ccc(cc1)C(=O)Nc2cc(c(n(c2=O)N)C)c3cc[nH]n3
|
|
|
274
|
COc1ccnc(n1)N2CCn3c4ccccc4cc3C2
|
|
|
275
|
C[C@@H]1c2c[nH]nc2-c3ccccc3N1S(=O)(=O)c4ccccn4
|
|
|
276
|
c1cocc1c2ncc(c(n2)NCCO)F
|
|
|
277
|
Cc1cc(n(n1)c2c3c(c(n(c3ncn2)CC(C)C)C)C)C
|
|
|
278
|
CN(C)c1nc(nc(n1)Oc2ccc(=O)[nH]n2)N
|
|
|
279
|
CC1(c2nnnn2-c3cc(ccc3C(=O)N1)C(=O)OC)C
|
|
|
280
|
C1CCC2C(C1)-C3CNCNC3N=C(N2)N4CCCCC4
|
|
|
281
|
Cc1ccc(cc1)n2c(nnn2)c3nc4ccccc4s3
|
|
|
282
|
c1cc(sc1)C2=COC3(C2)CCN(CC3)C(=O)c4cnccn4
|
|
|
283
|
CCn1c(nnc1SC)c2c(=O)ccn(n2)c3ccccc3
|
|
|
284
|
c1cc2c([nH]nc2Cl)nc1
|
|
|
285
|
Cc1nc([nH]n1)SCc2c(snn2)Cl
|
|
|
286
|
COCCN1C2C(C(NC(N2)N)N)N=C3C1=CCCC3
|
|
|
287
|
c1ccc2c(c1)c(=O)c(c(s2)N)c3[nH]c4ccccc4n3
|
|
|
288
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
|
289
|
c1ccnc(c1)[C@@H](C#N)C(=O)c2c(cnc(n2)N3CCCC3)Cl
|
|
|
290
|
c1[nH]c(=O)c2c(n1)Oc3c(c(=O)[nH]cn3)C2
|
|
|
291
|
c1c[nH]nc1c2nn3cnnc3s2
|
|
|
292
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
|
293
|
|
|
|
294
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
|
295
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
|
296
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
|
297
|
CCSc1nnc(n1C)CSc2c([nH]c3c2cccc3)C
|
|
|
298
|
Cc1cc(nc(n1)OC)Oc2ccc(nn2)[O-]
|
|
|
299
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
|
300
|
|
|
|
301
|
Cc1c(nnc(n1)c2c(non2)N)C
|
|
|
302
|
c1cc(c2c(c1)sc(n2)Nc3nnc(o3)c4ccco4)F
|
|
|
303
|
CN1CC2CCCCC2C1C3NC(NC(N3)F)N
|
|
|
304
|
C1CCC2C(C1)C(=O)N3C(S2)NC(N3)N
|
|
|
305
|
c1cc(ccc1SCc2ccsc2c3ncns3)Cl
|
|
|
306
|
Cc1cc(no1)Cn2nc(nn2)c3ccccc3
|
|
|
307
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
|
308
|
CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3[C@@H]1O
|
|
|
309
|
c1ccc2c(c1)c(sn2)N3CCCCCC3
|
|
|
310
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
|
311
|
Cc1nc2c(s1)-c3c(cnc(n3)Nc4ccc(nc4)OC)CC2
|
|
|
312
|
CCOC(=O)N1CN(Cc2c1oc3ccccc3c2=O)CCO
|
|
|
313
|
C1C2C(CC3C1OCO3)N/C(=C/4C=CC=[NH+]4)/C=C2O
|
|
|
314
|
CC(=C)c1nc(nc(n1)Oc2ccccc2)Oc3ccccc3
|
|
|
315
|
Cc1nc([nH]n1)/N=C(/N(C)Cc2ccco2)[O-]
|
|
|
316
|
Cc1cc(nc(=O)[nH]1)Oc2ccc(=O)n(n2)c3ccccc3
|
|
|
317
|
Cn1c(ccn1)CNC(=O)Cn2cccnc2=O
|
|
|
318
|
|
|
|
319
|
c1cc(cnc1)C2=C(N3[C@@H](C2)CC3=O)C(=O)[O-]
|
|
|
320
|
Cc1ccc(cc1)c2nnn(n2)CCn3c4ccccc4oc3=O
|
|
|
321
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
|
322
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
|
323
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
|
324
|
c1ccc2c(c1)C[C@@H]3C(=O)N=C(N3C2)Nc4ccccc4F
|
|
|
325
|
C=CCNc1nc(nc(n1)n2ccnc2)c3ccccc3
|
|
|
326
|
c1ccc-2c(c1)CCc3c2nnn3c4ccc(cc4)Br
|
|
|
327
|
c1ccc2c(c1)-c3c4c(cc5c3OCO5)CCN[C@@H]4[C@H]2O
|
|
|
328
|
Cc1ccc(cc1)[C@@H](COC2=NCNc3c2ccc(c3)Cl)O
|
|
|
329
|
Cc1c(c2c(=O)[nH]cnc2s1)S(=O)(=O)N3CCCCC3
|
|
|
330
|
CC1(C(=N[C@@H](C(=O)N1)c2ccccc2)c3ccccc3)C
|
|
|
331
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
|
332
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
|
333
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
|
334
|
c1cc(sc1)c2cc(nc3c2c(c(o3)C(=O)[O-])N)C(F)(F)F
|
|
|
335
|
c1ccc(cc1)S(=NC(=O)c2ccco2)c3ccccc3
|
|
|
336
|
CCN(CC)c1nc(nc(n1)N)c2nc(on2)C
|
|
|
337
|
c1ccc2c(c1)nc3c(n2)Oc4ccccc4N3
|
|
|
338
|
c1ccc(cc1)n2c(nnn2)Sc3nnc4n3cccc4
|
|
|
339
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
|
340
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
|
341
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
|
342
|
CN(C/C(=N/c1[nH]ncn1)/[O-])S(=O)(=O)c2ccccc2
|
|
|
343
|
CCC(=O)NCc1ccccc1c2cncnc2
|
|
|
344
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
|
345
|
c1ccnc(c1)c2c(c3n(n2)CCC3)c4ccc(cc4)F
|
|
|
346
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
|
347
|
C[C@@H]1CCc2c(c(on2)[C@@H]3CCCN(C3)C(=O)c4ccco4)C1
|
|
|
348
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
|
349
|
CCCC(=O)/[NH+]=c/cc(c-2c(oc3ccccc3c2n1)O)C
|
|
|
350
|
c1ccc(cc1)c2nc(nc(n2)n3cccc3)N
|
|
|
351
|
COC(=O)c1cc(nc2c1c(=O)n3cc[nH]c3n2)C4CC4
|
|
|
352
|
Cn1cc(c(n1)C(=O)Nc2[nH]ncn2)C(=O)[O-]
|
|
|
353
|
CCOC(=O)c1c2n(c3c1ncnc3SC)CCC2
|
|
|
354
|
C1CCC2C(C1)C(=O)N(O2)C3C4C([NH]CN4)NCN3
|
|
|
355
|
Cc1ccc(c(c1C)O)c2cc(n[nH]2)C(=O)NCc3ccncc3
|
|
|
356
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
|
357
|
COc1cc(nc(n1)Oc2ccccc2c3ccno3)OC
|
|
|
358
|
COCC(=O)N1CCC[C@@H](C1)c2c3c([nH]n2)nccn3
|
|
|
359
|
CC1C2C(NC(NN2)N3CCOCC3)N(N1)C4CCCCC4
|
|
|
360
|
Cn1c(c(nnc1=O)c2ccsc2)c3ccsc3
|
|
|
361
|
|
|
|
362
|
Cc1[nH]n2c(n1)c(c3c2nc4ccccc4n3)C(=O)NCCOC
|
|
|
363
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
|
364
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
|
365
|
C[C@@]1(C[C@@H](NN2C3CCCCC3C4C2C1CCC4)CO)CO
|
|
|
366
|
CCNc1nc(nc(n1)Cl)Sc2nnc(s2)SC
|
|
|
367
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
|
368
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
|
369
|
CCS(=O)(=O)N1CCC[C@@H](C1)/C(=N/C2[NH]NCN2)/[O-]
|
|
|
370
|
CSc1nnc(n1c2ccccc2)c3cc4c([nH]3)cco4
|
|
|
371
|
Cc1c(c(=O)[nH]c(=O)[nH]1)Cc2nnc(o2)SCC#N
|
|
|
372
|
Cc1ccc(cc1)NC(=O)COc2nc(cs2)C
|
|
|
373
|
c1ccc(cc1)C(=O)C2=Nc3ccccc3/C(=Cc4ccccn4)/N2
|
|
|
374
|
CCOc1nnc(o1)[N-]S(=O)(=O)c2ccc(cc2)N
|
|
|
375
|
c1ccc2c(c1)c(=O)n(nn2)Cn3c(=O)oc(n3)c4cccs4
|
|
|
376
|
C1CCC2C(C1)C3CCNC4C3N2CCCC4=O
|
|
|
377
|
|
|
|
378
|
C1CCC2C(C1)[NH]C(=O)C(N2)C(=O)[C@@H](C3CCCO3)O
|
|
|
379
|
Cc1csc2n1c-3nc4ccccc4c3nn2
|
|
|
380
|
C[C@@H]1c2nnc(n2N[C@@H](O1)c3ccccc3Cl)[C@@H](C)O
|
|
|
381
|
c1cc([nH]c1)c2c3c(c(s2)c4ccc[nH]4)OCCO3
|
|
|
382
|
Cc1c(c(c([nH]1)C)C(=O)OC)c2cc[nH]n2
|
|
|
383
|
CCSc1ccc(c2c1C(=O)CCC2)c3ccccn3
|
|
|
384
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
|
385
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
|
386
|
c1ccc(cc1)[S@](=O)[C@H]2[C@H]3C[C@@H]([C@@H]2O)[C@H]4[C@H]3C=CC4
|
|
|
387
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
|
388
|
Cc1nc2cccc(c2o1)c3cc(n[nH]3)c4cc(ccc4O)Cl
|
|
|
389
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
|
390
|
Cc1nnc(s1)SC2=C(Nc3ccccc3NC2=O)C
|
|
|
391
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
|
392
|
c1ccnc(c1)[C@@H]2Nc3c(c4c(s3)CCCC4)C(=O)N2
|
|
|
393
|
CC1CCN(CC1)c2ncc3c(n2)-c4cn(nc4NCC3)C
|
|
|
394
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
|
395
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
|
396
|
Cc1c(=O)n2c(nn1)SC[C@@H]2CSc3ccccc3
|
|
|
397
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
|
398
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
|
399
|
Cc1ccc(cc1)Sc2c(c([nH]n2)N)NC(=O)C
|
|
|
400
|
c1ccc(c(c1)Nc2c(c(c(c3n2nnn3)C#N)Cl)Cl)F
|
|
|
401
|
Cc1c(ccnc1COc2nc3ccccc3o2)OCC(C)C
|
|
|
402
|
CCC(=O)n1c2ccccc2c3c1Nc4ccccc4N3
|
|
|
403
|
Cc1cc(nc(n1)SCc2nnc(s2)NC)C
|
|
|
404
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
|
405
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
|
406
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
|
407
|
Cn1c(nnc1Sc2cnccn2)c3ccc(cc3)F
|
|
|
408
|
c1ccc2c(c1)ccn2Cc3nnc(s3)Cc4cccs4
|
|
|
409
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
|
410
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
|
411
|
c1ccc(cc1)c2cc([nH]c(=O)n2)Cc3ccc4ccccc4n3
|
|
|
412
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
|
413
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
|
414
|
c1ccc2c(c1)C(=NS2(=O)=O)Nc3ccccn3
|
|
|
415
|
Cc1ccc(nc1)C[S@@](=O)C2=NC3=CS[C@H](C3=N2)C(=O)C
|
|
|
416
|
CC1C2C(C(CN1)CO)C=C3CCCC=C3O2
|
|
|
417
|
c1ccc2c(c1)nc(o2)/C=C/c3csc(n3)c4ccccn4
|
|
|
418
|
COC(=O)NS(=O)(=O)/C=C/N1C2CCCCC2C3C1CCCC3
|
|
|
419
|
c1ccc2c(c1)OC[C@@H](O2)c3ncc(c(n3)N)C#N
|
|
|
420
|
Cc1ccc2c(c1)c(=O)c(c3n2C(=O)CS3)C(=O)OC
|
|
|
421
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
|
422
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)n3cnc4ccccc4c3=O
|
|
|
423
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
424
|
COC(=O)C1=C(Oc2c(=O)cc(oc2[C@@H]1c3ccccc3)CO)N
|
|
|
425
|
Cc1nnc(o1)[C@@H]2Cc3ccccc3CN2
|
|
|
426
|
c1ccc(cc1)/C=C/C=C/c2cc[nH]n2
|
|
|
427
|
CCOc1nnc(s1)CN2CCc3ccccc3C2
|
|
|
428
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
|
429
|
CSc1nc(c(nn1)c2ccco2)c3ccco3
|
|
|
430
|
CC1CC(NC(N1)N)SC2NCCS2
|
|
|
431
|
Cc1ccc2c3c1noc3-c4ccccc4C2=O
|
|
|
432
|
Cc1c(c(n(n1)c2ccccc2)Cn3c4ccccc4oc3=O)C#N
|
|
|
433
|
Cn1c2ccccc2nc1Cn3nc(nn3)c4ccccc4
|
|
|
434
|
CCCn1cnc(n1)NC(=O)c2cc(=O)n(c(n2)[O-])C
|
|
|
435
|
CC1NCC2C(N1)N=C(NC2)C3CCC(CC3)CL
|
|
|
436
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
|
437
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
|
438
|
CCNc1nc2c(s1)c(c(c(n2)N)C#N)c3ccccc3
|
|
|
439
|
C[C@@H](c1cccc(c1)F)Oc2cccc3n2c(nn3)c4c[nH]cn4
|
|
|
440
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
|
441
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
|
442
|
c1ccc(cc1)C2=CC(=N[C@@]2(c3ccccc3)O)c4ccccc4
|
|
|
443
|
CN(C)C(=O)c1cc(c[nH]1)c2c(cnc(n2)N)c3ccccc3
|
|
|
444
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
|
445
|
c1ccc(cc1)c2c3c(nccn3)n[nH]2
|
|
|
446
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
|
447
|
COc1ccc(cn1)c2cccc(c2)c3nc(nc(n3)SC)N
|
|
|
448
|
c1ccc(cc1)c2cc(nc(n2)C(=O)Nc3[n-]nnn3)O
|
|
|
449
|
CC(=O)c1ccc(cc1)Oc2nc(on2)c3ccccc3F
|
|
|
450
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
|
451
|
c1cc2c(nc1)Nc3c(cccn3)O2
|
|
|
452
|
C1CCC(CC1)C2CCNN2S(=O)(=O)C3=CC=CCC=C3
|
|
|
453
|
Cc1cc(on1)n2c(=O)c3ccccc3nn2
|
|
|
454
|
c1ccc(cc1)n2c(nnn2)SCn3c4ccccc4nn3
|
|
|
455
|
|
|
|
456
|
c1cc2c3c(c(ncn3)n4cccn4)sc2nc1
|
|
|
457
|
c1ccc-2c(c1)CCc3n2c(nn3)c4cccnc4
|
|
|
458
|
CC1NC(CS1)CN(C)CN2CNC(N2)C(=O)OC
|
|
|
459
|
C[C@@H](c1ccncn1)N(C)Cc2ccc(o2)Sc3ncccn3
|
|
|
460
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
|
461
|
Cc1nc(c(n1C)O[C@@H]2CCCCO2)SCc3ccccc3
|
|
|
462
|
Cc1cc(=O)n2c(n1)sc(n2)Cn3nc(nn3)c4ccccc4
|
|
|
463
|
c1ccc(cc1)NC(=O)Nc2csc(n2)c3ccncc3
|
|
|
464
|
C1CCC(CC1)C2C3CCSC3NC4C2SCC4
|
|
|
465
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
|
466
|
CCOC(=O)c1c(c2c(cccc2s1)F)Cn3cnc(n3)C#N
|
|
|
467
|
Cc1cc(nc(n1)N)Nn2cnnc2
|
|
|
468
|
CSc1nnc(s1)Cn2c(=O)oc(n2)c3ccco3
|
|
|
469
|
c1ccc(cc1)C(=O)n2c(=[NH2+])c(nnc2N)Nc3ccc(cc3)F
|
|
|
470
|
c1ccc(cc1)c2ncnn2c3c(c4c(s3)CCCC4)C#N
|
|
|
471
|
CCOC(=O)Cc1coc(n1)NC(=O)CSc2ccccn2
|
|
|
472
|
c1cc(ccc1C#N)c2ccc(o2)/C=C/C(=O)N=C(N3)[O-]
|
|
|
473
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
|
474
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
|
475
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
|
476
|
c1c2c(c(=O)[nH]n1)Sc3cn[nH]c(=O)c3S2
|
|
|
477
|
c1ccc2c(c1)c(=O)c(c([nH]2)[O-])C(=O)Nc3nccs3
|
|
|
478
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
|
479
|
c1cc(oc1)c2cc(n3cnc(c3n2)C(=O)N)C(=O)[O-]
|
|
|
480
|
COc1ccc(cc1)c2nnc(o2)Sc3ccc4nnnn4n3
|
|
|
481
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
|
482
|
C1CC([NH]C1)C(=O)OCC#N
|
|
|
483
|
c1csc(n1)/N=C(/CN2CCOCC2)[O-]
|
|
|
484
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
|
485
|
|
|
|
486
|
c1cc2c(nc1)n(nn2)[O+]=C(N)N
|
|
|
487
|
Cc1cc(nc2c1c([nH]n2)n3cccc3)C
|
|
|
488
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
|
489
|
Cc1ccc(cc1)S(=O)(=O)Nn2nc(nn2)c3ccccc3
|
|
|
490
|
CCN1C(NN2C(C1=O)NC3CCCCC3C2=O)C
|
|
|
491
|
CN(C)c1nc(nc(n1)OC)n2cc(nn2)c3ccccc3
|
|
|
492
|
Cc1ccc(cc1)S(=O)(=O)/N=C(/n2cnc3c2cccc3)[O-]
|
|
|
493
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
|
494
|
c1ccc(cc1)[C@@H]2NC(=[NH+]C(=N2)c3ccccc3)c4ccccc4
|
|
|
495
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
|
496
|
CNC(=O)NCCCn1c(=O)n2c(n1)CCCC2
|
|
|
497
|
Cc1c(n(c(=O)c(n1)C(=O)[O-])OCc2ccccc2)C
|
|
|
498
|
c1cc(cnc1)/C=C/c2cn[nH]c2C3=NCC(=N3)C#N
|
|
|
499
|
CCOC(=O)C1C(C2C(S1)N(C(=O)S2)C3CCCCC3)[O-]
|
|
|
500
|
CC1=Nc2c(c(nc(n2)N3CCCCC3)N)C1=O
|
|
|
501
|
c1cc(oc1)c2cc3nc4c(c(n3n2)[O-])SCC4
|
|
|
502
|
Cc1nnc(o1)C(=O)c2c(c3ccccc3n(c2=O)C)OC(=O)C
|
|
|
503
|
CC1(CC2=C(c3c1c[nH]n3)Sc4ccccc4N2)C
|
|
|
504
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
|
505
|
CSc1c(c([nH]n1)N)C#N
|
|
|
506
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
|
507
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
|
508
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
|
509
|
c1ccc(cc1)CCC2=N[C@H](C=C2)C(=O)c3ccc4c(c3)OCO4
|
|
|
510
|
CCOC(=O)/C=C/1C2NNNN2-C3CCCCC3N1
|
|
|
511
|
COc1ccnc(n1)Sc2nnc(s2)SC
|
|
|
512
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
|
513
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
|
514
|
c1cn(cn1)c2cc(=O)[nH]c(n2)N
|
|
|
515
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
|
516
|
Cn1cc(c(n1)C(F)(F)F)COC(=O)Nc2ccccc2
|
|
|
517
|
|
|
|
518
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
|
519
|
Cc1cc(=O)n2c(n1)nc(c(n2)C)[O-]
|
|
|
520
|
c1ccc(cc1)n2c(noc2=O)c3cccnc3
|
|
|
521
|
c1ccc(cc1)c2cc(c3nnnn3c2)CNc4cccnc4
|
|
|
522
|
c1cc(cnc1)C#CCCN2CCC(=CC2)c3cccs3
|
|
|
523
|
c1ccc2c(c1)c(=O)c(=Nc3ccccn3)c2=O
|
|
|
524
|
c1ccc2c(c1)CN(c3cccnc3O2)c4ccc(s4)C(=O)[O-]
|
|
|
525
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
|
526
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
|
527
|
Cc1c(sc(n1)c2c(n(nn2)c3ccccc3)C)C(=O)[O-]
|
|
|
528
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
|
529
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
|
530
|
CC(C)CNS(=O)(=O)/N=C(/c1c[nH]c2c1cccc2)[O-]
|
|
|
531
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
|
532
|
Cc1c(c(no1)c2ccccc2)c3nnc(o3)COC(=O)C
|
|
|
533
|
c1ccc(cc1)Nc2c(nnn2c3ccccc3)c4ccn[nH]4
|
|
|
534
|
Cc1c2cnnc(c2c(n1C)C)Sc3ccc(cc3)Cl
|
|
|
535
|
c1ccc(cc1)C2=N/C(=Cc3ccc4c(c3)OCO4)/C(=N2)O
|
|
|
536
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
|
537
|
Cn1c2c(cn1)c(ncn2)n3cccn3
|
|
|
538
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
|
539
|
C[C@@]1(CC(=NN2C3CCCCC3C4C2C1CCC4)C(=O)[O-])C(=O)[O-]
|
|
|
540
|
Cn1cnc2c(c1=O)n(nc2C(=O)[O-])c3ccc(cc3)F
|
|
|
541
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
|
542
|
c1ccc(c(c1)N)Nc2c(cn(c(=O)n2)Cc3cccs3)C#N
|
|
|
543
|
C1CCNC(C1)[C@@H](C#N)C(=O)C2CNN3C2NCCC3
|
|
|
544
|
CSc1c2c3c(c(cc(=O)[nH]3)[O-])sc2nc(n1)N
|
|
|
545
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
|
546
|
CCN1c2ccccc2N[C@@H]3[C@@H]1OC(=C3C(=O)OCC)C
|
|
|
547
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
|
548
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
|
549
|
Cc1cc(sn1)[C@@H](c2ccc(cc2)C(C)C)Nc3cccnc3
|
|
|
550
|
c1cc(nnc1n2cnnn2)Cl
|
|
|
551
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
|
552
|
CCOc1nnc(s1)CN2CCOCC2
|
|
|
553
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
|
554
|
Cc1ccc(cc1)S(=O)(=O)[C@@H](C#N)c2c(nccn2)Cl
|
|
|
555
|
CCn1cc(cn1)c2cc[nH]n2
|
|
|
556
|
c1ccc(cc1)c2c3ccccc3[nH]c(=O)c2Sc4[nH]cnn4
|
|
|
557
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
|
558
|
c1ccc2c(c1)nc3c(n2)C(=O)C(=C(C3=O)O)[O-]
|
|
|
559
|
Cn1c(=O)[nH]c(=O)n2c1ncc2CC(=O)Nc3ccccc3
|
|
|
560
|
c1ccc2c(c1)[C@@H](C(=O)N2)c3c(cc(cn3)C(F)(F)F)Cl
|
|
|
561
|
CCC(=O)N1CCC(CC1)(c2c(nc(cn2)OC)OC)O
|
|
|
562
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
|
563
|
Cc1cc(nc(c1C(=O)N)c2cnn(c2)C)C
|
|
|
564
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
|
565
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
|
566
|
COc1nc(nc(n1)OC)Nc2nccs2
|
|
|
567
|
Cc1c2c(con2)c(nn1)c3ccccn3
|
|
|
568
|
CCCCCCC1CN[NH]N1
|
|
|
569
|
c1cc2c(nc1)C(=O)c3ccc(cc3CC2)Cl
|