(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1ccn2cc(c(c2c1)C#N)CSc3[nH]ncn3
|
|
2
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
3
|
c1ccc(cc1)n2cnc(nc2=[NH2+])N
|
|
4
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
5
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
6
|
Cc1cc(cs1)Oc2c[nH]c(=O)nc2
|
|
7
|
c1ccc(cc1)Cn2c(=O)[nH]c(=O)cn2
|
|
8
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
9
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
10
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
11
|
CN([C@@H]1[C@@H]([C@@H]([C@@H]([C@@H](O1)CO)O)O)O)C(=O)c2[nH]ncn2
|
|
12
|
c1ccc2c(c1)c3c(c(=O)s2)nc[nH]3
|
|
13
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
14
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
15
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
16
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
17
|
c1csc(c1C#N)n2cc(c(=O)[nH]c2=O)C#N
|
|
18
|
c1ccc2c(c1)c(=O)n(nn2)Cn3cnc(n3)C#N
|
|
19
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
20
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
21
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
22
|
CC(=O)N1CCC(=CC1)c2c[nH]c3c2cccn3
|
|
23
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
24
|
c1ccc(cc1)N2CCC(=O)NCC2
|
|
25
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
26
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
27
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
28
|
COCc1nnc(s1)NC(=O)c2nc[nH]n2
|
|
29
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
30
|
c1cc(oc1)[C@@H]2CCCN2S(=O)(=O)c3c[nH]cn3
|
|
31
|
CC1C2C(C([NH]1)C3CCCCC3)NC(OC2=O)C
|
|
32
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
33
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
34
|
c1ccc2c(c1)CCN2c3c(=O)[nH]c(=O)[nH]n3
|
|
35
|
c1nc([nH]n1)OC23CC4CC(C2)CC(C4)C3
|
|
36
|
c1cc2c(cc1n3cnnn3)nc[nH]2
|
|
37
|
Cn1c(nc(n1)n2c3ccccc3nn2)N
|
|
38
|
CC1(Cc2c([nH]c3c2c(ncn3)N)CO1)C
|
|
39
|
c1cc(ccc1CCc2c[nH]c3c2nc(nc3[O-])N)C(=O)[O-]
|
|
40
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
41
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
42
|
c1cc(oc(=O)c1)c2cccnc2
|
|
43
|
CC1C2C(NC(NC2C([NH]1)C3CCCCC3)C)C
|
|
44
|
c1ccc2c(c1)nc3n2nnc4c3cn[nH]4
|
|
45
|
Cc1nc-2n(n1)CC(=Nc3c2cccc3)O
|
|
46
|
CC1(OC[C@@H]([C@@H](O1)[C@@H](C2[NH]C(C(N2)C#N)OC)O)O)C
|
|
47
|
C1=CC2=NNC(=O)[C@@H]2C=C1C(=O)[O-]
|
|
48
|
c1ccc2c(c1)C(=O)/C(=N
3cnnc3)/N2
|
|
49
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
50
|
CC1=C([C@@H]2C[C@](N1)(Oc3c2cccc3)C)C(=O)OC
|
|
51
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
52
|
C1CCC(C(C1)NC2[NH+]C(C(N2O)[O-])N)F
|
|
53
|
CC(C)(C)c1nc(on1)Cn2cnc(n2)C#N
|
|
54
|
c1ccc2c(c1)c(ncn2)N3CCNc4c3cccc4
|
|
55
|
c1ccc(cc1)[C@@]2(c3cnncc3C(=O)N2)O
|
|
56
|
Cc1c(cnc2c1c3cc(ccc3o2)O)C(=O)C
|
|
57
|
CCc1nnc(o1)Cn2c(=O)n(nn2)c3ccccc3
|
|
58
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
59
|
c1cnc2cc3c(cc2n1)[C@@H]4C[C@H]3C(=O)NC4
|
|
60
|
CCCCC1CCC(CC1)c2nc(no2)N
|
|
61
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
62
|
c1ccc2c(c1)N=C(CN2C(=O)NCC(=O)[O-])O
|
|
63
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
64
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
65
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
66
|
CC1=C(C[C@@H](C(=O)N1)C#N)c2ccc(cc2)n3ccnc3
|
|
67
|
c1cc(ccc1/N=C(/Nc2[n-]nnn2)O)Cl
|
|
68
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2nc(s3)C
|
|
69
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
70
|
c1ccc2c(c1)-c3c(cn[nH]3)CC(=O)N2
|
|
71
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
72
|
C1[C@@H]([C@H](O[C@H]1[C@@H]2C=CC=NC2=O)CO)O
|
|
73
|
c1cc(cnc1)c2ccnn2CN3CCOCC3
|
|
74
|
|
|
75
|
c1ccc2c(c1)CC[C@@H](C(=N2)O)Sc3[nH]ncn3
|
|
76
|
CCOC(=O)Cc1nnc2n1c3ccccc3[nH]2
|
|
77
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
78
|
c1ccc(cc1)c2cccnn2
|
|
79
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
80
|
C1NC(C2N1[C@@H]3[C@H]([C@@H]([C@@H](O3)CN2)O)O)C(=O)N
|
|
81
|
c1cc(oc1)c2nnc3n2CCCCC3
|
|
82
|
COCCn1c(=O)c2c(nn1)scn2
|
|
83
|
c1ccc-2c(c1)CCc3c2nns3
|
|
84
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
85
|
CC(C)Oc1cc(on1)c2[n-]nnn2
|
|
86
|
c1cc(oc1)c2nnc(o2)CN3CCOCC3
|
|
87
|
Cc1nc(on1)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)n5cncn5
|
|
88
|
c1cc(cc(c1)n2cccn2)c3[n-]nnn3
|
|
89
|
c1cc(cnc1)C2=C[C@](C[C@H]([C@@H]2O)O)(C(=O)[O-])O
|
|
90
|
|
|
91
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
92
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
93
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
94
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
95
|
CC1NC2C(S1)NC(NN2)C3CCCCC3
|
|
96
|
c1cc2c(cc1F)c(=O)n(cn2)Cc3[nH]ncn3
|
|
97
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
98
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
99
|
Cc1c(sc(n1)C)c2cc[nH]n2
|
|
100
|
|
|
101
|
Cc1c(oc(n1)Cn2nc(nn2)c3ccccc3)C
|
|
102
|
c1ccc2c(c1)CCCN2c3c(cno3)C#N
|
|
103
|
CCc1nnc(o1)Cn2c(noc2=O)c3ccccc3
|
|
104
|
C1CC2C(NC1)SC3CNNCC3N2
|
|
105
|
|
|
106
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)N2C(=O)[NH]C(=O)O2)O)O)O
|
|
107
|
c1c(cc(c2c1C=C(OC2)CO)O)O
|
|
108
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
109
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
110
|
c1ccc2c(c1)c3n(c(=O)n2)CC(=O)N3
|
|
111
|
C1CC([NH]C1)C(=O)OCC#N
|
|
112
|
c1ccc2c(c1)c3cc(ccc3o2)S(=O)(=O)[O-]
|
|
113
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
114
|
CC1=N/C(=C/c3ccccc3C(=O)O2)/C(=O)O1
|
|
115
|
c1c(cncn1)n2cc(nc2)N
|
|
116
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
117
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
118
|
C[C@@H]1CSc2c1ncc(c2)C(=O)OC
|
|
119
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
120
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
121
|
Cc1c(cnn1c2ccccc2)c3nnc(o3)[O-]
|
|
122
|
CC1(Nc2c(nnc(n2)SCC(=O)[O-])-c3ccccc3O1)C
|
|
123
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
124
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
125
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
126
|
Cc1nc(no1)Cn2c(=O)n(nn2)c3ccccc3
|
|
127
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
128
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
129
|
c1ccc(cc1)S(=O)(=O)CCn2cnc(n2)C#N
|
|
130
|
C1CCC-2C(C1)-C3CCCC4C3C2CC(N4)CL
|
|
131
|
c1ccc(cc1)C(=O)c2c(non2)N
|
|
132
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
133
|
CCOC(=O)CCc1c2c([nH]c1C(=O)OCC)CNC(=O)C2
|
|
134
|
Cc1cc2c(nc(nc2o1)C)c3cnoc3
|
|
135
|
c1ccc(cc1)CS(=O)(=O)n2cnc3c2[nH]c(=O)[nH]c3=O
|
|
136
|
Cc1c(cnc(n1)N)c2ccccn2
|
|
137
|
COC(=O)c1c(cn2c(nnc2n1)N)C(=O)c3ccco3
|
|
138
|
CCOc1cc(c(o1)C)c2ccccc2
|
|
139
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
140
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
141
|
c1cc2c(csc2nc1)N3CCCC3
|
|
142
|
c1ccc(cc1)c2nncnn2
|
|
143
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
144
|
|
|
145
|
CCc1nc(cs1)CNCc2nc(no2)C
|
|
146
|
CC1=NC2CCCCC2N[C@@H](C1)C3CCOC3
|
|
147
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
148
|
Cc1cc(on1)n2c(nc3ccccc3c2=O)C
|
|
149
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
150
|
Cc1cc2[nH]nc(n2n1)c3ccccc3
|
|
151
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
152
|
c1ccc-2c(c1)CCCn3c2nnn3
|
|
153
|
c1ccc2c(c1)cc(c(=O)o2)/C(=N/c3n[nH]nn3)/[O-]
|
|
154
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
155
|
CC1=C(C(=O)NC2=NNC(=O)[C@@H]12)CCC(=O)[O-]
|
|
156
|
c1ccc2c(c1)[C@@H](OC2=O)Nn3cnnc3
|
|
157
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
158
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
159
|
Cn1cc(c2c1[nH]ccc2=O)c3ccnc(n3)N
|
|
160
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
161
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
162
|
Cc1cc2cccc(c2o1)n3cnnn3
|
|
163
|
CCCNC(=O)Cc1nc[nH]n1
|
|
164
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
165
|
c1ccc-2c(c1)Cc3c2nncc3
|
|
166
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
167
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
168
|
c1ccc(cc1)COc2cnc(nc2)C#N
|
|
169
|
|
|
170
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
171
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
172
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
173
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
174
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
175
|
c1ccc2c(c1)c(co2)c3c([nH]c(=O)[nH]c3=O)[O-]
|
|
176
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
177
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
178
|
c1ccc2c(c1)[C@@H](CC(=O)N2)C(=O)N3CCn4c(ncn4)C3
|
|
179
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
180
|
c1ccc(cc1)Oc2cncc3c2cc(s3)c4[n-]nnn4
|
|
181
|
c1ccc2c(c1)c(=O)[nH]n(c2=O)C(=O)c3c(non3)N
|
|
182
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
183
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
184
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
185
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
186
|
Cc1cn2c(n1)sc(n2)n3ccnc3
|
|
187
|
c1cnc(nc1C(F)(F)F)OCn2ccc(n2)C(=O)[O-]
|
|
188
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
189
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
190
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
191
|
|
|
192
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
193
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
194
|
Cc1cc(c(s1)C)[C@@H]2C=CN=CN2
|
|
195
|
c1nc([nH]n1)/N=C(/[C@@H]2CCCO2)[O-]
|
|
196
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
197
|
c1ccc2c(c1)nnn2c3ccco3
|
|
198
|
Cc1c2ccccc2sc1c3cnc(s3)C
|
|
199
|
Cc1nnc(o1)CN(Cc2nccn2C(F)F)C3CC3
|
|
200
|
c1ccc(cc1)COc2c(non2)N
|
|
201
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
202
|
c1ccc(cc1)N2C=NC=NCC2=O
|
|
203
|
c1cc(oc1)c2c(nns2)C(=O)N
|
|
204
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
205
|
Cc1ccc(c(c1)n2c(c(cn2)n3cncn3)O)C
|
|
206
|
COC1=COC(=C(O1)O)C2CCC(CC2)F
|
|
207
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
208
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
209
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
210
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
211
|
C1CC2C3C(C(NNN3)[O-])SC2NC1
|
|
212
|
c1ccc2c(c1)c(=O)c(=Nc3[n-]nnn3)c2=O
|
|
213
|
c1c([nH]cn1)c2nc(cs2)C(=O)[O-]
|
|
214
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
215
|
c1cc(c(cc1S(=O)(=O)[O-])C(=O)[O-])c2cn[nH]c2[O-]
|
|
216
|
c1ccc2c(c1)nnn2C3=NCCCC3
|
|
217
|
Cc1cc(nc(n1)Nc2[nH]ncn2)C
|
|
218
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
219
|
Cc1nnc(o1)CN2CCCc3c2cccc3
|
|
220
|
COC(=O)Nc1cn2c(n1)ccc(n2)C(=O)N
|
|
221
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
222
|
Cc1ccc2c(c1)nnc(n2)N
|
|
223
|
c1ccc(cc1)c2cn(nn2)CC(=O)[O-]
|
|
224
|
c1c(c(=O)[nH]c(=O)n1O[C@@H]2[C@@H]([C@@H]([C@@H](O2)CO)O)O)F
|
|
225
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
226
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
227
|
Cc1ccccc1C=C2C(=O)NC(=O)NC2=O
|
|
228
|
CSc1nc(c(n1Cc2ccco2)C#N)N
|
|
229
|
c1ccc2c(c1)N[C@@H]3CC(=N2)[C@@H]4OC[C@H]3O4
|
|
230
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
231
|
c1cc2c(cc1F)N=C3[C@H](N2)C(=O)C3=O
|
|
232
|
|
|
233
|
Cc1c(non1)[C@@H]2CCCN2C(=O)c3ccnc(c3)NC
|
|
234
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
235
|
CCn1cc(c(n1)C)c2nnc(n2C)SC
|
|
236
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
237
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
238
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
239
|
Cc1[nH]c2c3ccccc3sc2n1
|
|
240
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
241
|
Cc1c(c(=O)[nH]c(=O)[nH]1)c2cccc(c2)n3cccn3
|
|
242
|
c1c2c(cc(c1N3CCCC3)F)nc(c(n2)N)C#N
|
|
243
|
c1cc(nn2c1nnn2)n3cnc(n3)C#N
|
|
244
|
c1ccc(cc1)CSc2[n-]nnn2
|
|
245
|
C=C1c2ccccc2C=Cc3c1cccc3
|
|
246
|
c1cc(oc1)c2nnn(n2)CC(=O)[O-]
|
|
247
|
c1ccc(cc1)N2Cc3nc(=O)[nH]n3C2=O
|
|
248
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
249
|
C1C2=C[C@@H]3C=C[C@H]2[C@@H](C=C3)NC1=O
|
|
250
|
c1ccc2c(c1)CCC(=C2)S(=O)(=O)N
|
|
251
|
CCC1=C(OS(=O)(=O)NC1=O)C2CCCCC2
|
|
252
|
c1ccc2c(c1)C[C@@H]3[C@@H](C2)NC3=O
|
|
253
|
c1ccc2c(c1)[C@@H]3c4c([nH]c(=O)s4)SC=C3CO2
|
|
254
|
c1ccc(cc1)/C=C/[C@@H](O)S(=O)(=O)[O-]
|
|
255
|
c1ccc(cc1)[C@H]2[C@@H]3CCCO[C@@H]3NC(=O)N2
|
|
256
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
257
|
c1cocc1c2c3c([nH]cn3)nc(n2)N
|
|
258
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
259
|
c1ccc(cc1)CNc2cnccn2
|
|
260
|
c1cnccc1c2nnc3n2CCC3
|
|
261
|
|
|
262
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
263
|
C#Cc1cc2ccccc2nc1
|
|
264
|
CCOC(=O)C1=C(C(=O)NCC1)[O-]
|
|
265
|
c1ccc(cc1)Sc2c[nH]cn2
|
|
266
|
C1CC2C(CC1C3NNC(O3)N)SCN2
|
|
267
|
C/C=C/[C@@H]1OCC[C@@](O1)(C)C(=O)C2CCCCC2
|
|
268
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
269
|
Cc1c(c(c([nH]1)C)C(=O)[O-])c2nnc(o2)C
|
|
270
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
271
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
272
|
CCc1nc([nH]n1)Sc2nc3ccccc3o2
|
|
273
|
c1ccc(cc1)COc2c(nccn2)N
|
|
274
|
C1C2C(NNNC2[O-])N(N1)[C@@H]3CCCO3
|
|
275
|
COC(=O)CC1=Nc2nncn2C1=O
|
|
276
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
277
|
c1ccc(cc1)C(=O)c2ccc(=O)oc2
|
|
278
|
c1ccc(cc1)Oc2c(non2)N
|
|
279
|
c1ccc2c(c1)c(cc(=O)[nH]2)N
|
|
280
|
C[C@@H]1Cc2c(cn[nH]2)C(=O)C1
|
|
281
|
c1cc(oc1)c2ccnc(n2)N
|
|
282
|
Cc1cc(c(c(=O)o1)SC([C@@H](C(F)(F)F)F)(F)F)[O-]
|
|
283
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
284
|
Cc1nc(no1)Cn2cccc(c2=O)C(F)(F)F
|
|
285
|
Cc1cc(no1)Cn2cnc(n2)C#N
|
|
286
|
c1cc(oc1)c2cnnn2c3ccc(cc3)N
|
|
287
|
Cn1cc(cn1)c2cc(on2)CO
|
|
288
|
c1c2c(c(=O)[nH]n1)Sc3cn[nH]c(=O)c3S2
|
|
289
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
290
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
291
|
c1cc2c(c(c1)S(=O)(=O)[O-])nn[nH]2
|
|
292
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
293
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
294
|
c1cc(c(nc1)Sc2cn[nH]n2)C(F)(F)F
|
|
295
|
c1ccc(cc1)c2nc(no2)c3nnc(o3)N
|
|
296
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
297
|
c1ccc2c(c1)nc3c(n2)nc[n-]3
|
|
298
|
c1csc(n1)n2cc(c(=O)[nH]c2=O)C#N
|
|
299
|
c1nc(nn1Cc2c(snn2)Cl)C#N
|
|
300
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
301
|
c1c2c(nc(n1)N)SCC2
|
|
302
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
303
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
304
|
|
|
305
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
306
|
COC(=O)[C@@H]1CC2CNCN2C(=O)N1
|
|
307
|
c1cc2c(cc1Cn3cnnc3)OCO2
|
|
308
|
C1CCC2C(C1)CC3=NC(=O)N=C23
|
|
309
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
310
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
311
|
c1cc2c(c(c1)F)c(nc3n2nnc3C#N)N
|
|
312
|
|
|
313
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
314
|
CCOC(=O)c1cnc(nc1Cn2cccn2)NC
|
|
315
|
Cc1c(c([nH]n1)[O-])Oc2ccccc2
|
|
316
|
c1ccc2c(c1)c(=O)cc(o2)n3ccc(n3)C(F)(F)F
|
|
317
|
Cc1nc(cs1)c2c[nH]c(=O)[nH]c2=O
|
|
318
|
c1c2cc(nc(c2c(nc1O)O)O)O
|
|
319
|
c1ccc2c(c1)CO[C@@]3(N2)c4ccccc4NC3=O
|
|
320
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
321
|
C1CC2C(C(C1)N[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O)[NH]CNC2=O
|
|
322
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
323
|
CSc1nnc(s1)CSc2[nH]ncn2
|
|
324
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
325
|
C[C@@H]1CCC2C(C(=O)[NH]C(N2)N)N1
|
|
326
|
c1cc2c(cc1F)-c3c(cno3)CS2
|
|
327
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
328
|
CCOC(=O)c1c([nH]c(=O)s1)c2ccco2
|
|
329
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
330
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
331
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
332
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
333
|
c1ccc-2c(c1)CCNc3c2cccc3
|
|
334
|
Cc1nc(cs1)c2nnc(o2)N
|
|
335
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
336
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
337
|
c1ccc(cc1)c2c3c(on2)CCNC3
|
|
338
|
C1CCC2C(C1)C3C([NH]2)NCNN3
|
|
339
|
C1CCN(C(=O)C1)[C@@H]2C[C@@H]([C@@H](O2)CO)O
|
|
340
|
CCn1c2c(c(=O)n3c1c(cn3)C(=O)[O-])CN(CC2)C
|
|
341
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
342
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
343
|
c1ccc(cc1)CNc2c(non2)O
|
|
344
|
CC1(c2cccnc2NC1=O)C
|
|
345
|
c1nc(c2n1CC(=O)NC2)C(=O)N
|
|
346
|
c1cnn(c1)c2ccc(cc2c3nnc4n3ccnc4)F
|
|
347
|
c1ccc(cc1)c2cnn3c(n2)nnn3
|
|
348
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
349
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
350
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
351
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
352
|
c1cc(ccc1C2=CCn3c(nnn3)N2)F
|
|
353
|
Cc1c(nnn1c2ccccc2)c3nnc(o3)c4ccco4
|
|
354
|
c1ccnc(c1)c2c[nH]nc2N3CCOCC3
|
|
355
|
C1CCC(CC1)CC2CCC[NH]2
|
|
356
|
CCOC1=CC(=O)N(C1)c2ccc(cc2)C
|
|
357
|
CN(C)c1nc(nc(n1)N)COn2c3ccccc3nn2
|
|
358
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
359
|
c1ccc2c(c1)-c3c(c(on3)Cl)CCS2
|
|
360
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
361
|
Cc1nnc(o1)[C@H]2CCN(C2)C(=O)C
|
|
362
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
363
|
c1cc([nH]c1)c2ccnc3n2cnn3
|
|
364
|
CN1[C@@H]2C=C[C@H](C1=O)C3C2CCCC3
|
|
365
|
c1ccc2c(c1)-c3cccnc3C2=O
|
|
366
|
CCOc1c(c(=O)c1=O)Nc2ccccc2
|
|
367
|
Cc1cc2n(c(c(s2)C(=O)C)[O-])c(=[NH2+])n1
|
|
368
|
Cc1nc(cs1)c2cc(no2)CO
|
|
369
|
c1ccnc(c1)NC(=O)c2[n-]nnn2
|
|
370
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
371
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
372
|
Cc1cc(n(n1)C(=O)c2cc(on2)C)C
|
|
373
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
374
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
375
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
376
|
c1ccc2c(c1)Nc3cc(=O)[nH]nc3N2
|
|
377
|
c1ccc2c(c1)nc(o2)NC3=N[C@@H](C(=N3)O)CC(=O)[O-]
|
|
378
|
C1CCc2c(nc(nn2)N)C1
|
|
379
|
c1cc2cccc3c2c(c1)C(=O)N3
|
|
380
|
CNC(=O)N/C=C/c1ccco1
|
|
381
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
382
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
383
|
CCOC(=O)/C=C(/c1cnc2n1cccc2)C(F)(F)F
|
|
384
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
385
|
CCOC(=O)Cn1c(nnn1)c2c(non2)N
|
|
386
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
387
|
CC1=C(CSN(C1)C2CCCCC2)C
|
|
388
|
c1ccc(c(c1)C(=O)C2=C[C@H](C(=O)N=C2)C#N)O
|
|
389
|
c1ccnc(c1)Cc2ccc(=O)[nH]n2
|
|
390
|
C1CCC2C(C1)NC3N2C(NS3)N4CCNC4
|
|
391
|
Cc1nnc(s1)[C@@H]2CCCN(C2)C(=O)C
|
|
392
|
Cc1c2c(nc(n1)C)Oc3ccc4ccccc4c3C2
|
|
393
|
c1ccc2c(c1)CC(=O)NC=C2
|
|
394
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
395
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
396
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
397
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
398
|
c1ccc2c(c1)ccc3c2[C@@H]4CC[C@H](O3)O4
|
|
399
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
400
|
Cc1c2ccccc2nc(n1)C
|
|
401
|
Cc1c(nc(nc1c2c[nH]nc2)C(F)(F)F)C
|
|
402
|
c1ccc(cc1)CNc2cnoc2
|
|
403
|
CCc1nnc(o1)Cn2cnc3ccccc3c2=O
|
|
404
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
405
|
COc1ccc(nc1c2cnc[nH]2)C(=O)[O-]
|
|
406
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
407
|
CCOC(=O)C1=C(O[C@@]2(C[C@H]1[C@H]3CO[C@@H]2O3)O)C
|
|
408
|
C1CC(OC1)C2CNC3C(N2)C(NC(N3)N)N
|
|
409
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
410
|
|
|
411
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2ccnc2
|
|
412
|
Cc1nc(cs1)c2ccc3c(c2)CCN3
|
|
413
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
414
|
c1cn(c(=O)nc1N)[C@@H]2CO[C@@H](O2)CO
|
|
415
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
416
|
c1ccc2c(c1)n3c(=O)c(=O)[nH]nc3s2
|
|
417
|
C[C@@]12C=C3[C@](O1)(CCCC34OCCO4)C5C2CCCC5
|
|
418
|
c1ccc(cc1)CC2=CC(=O)[C@H](C=N2)[O-]
|
|
419
|
c1ccc2c(c1)-c3ccccc3NC(=O)N2
|
|
420
|
c1ccc2c(c1)nn(n2)CC#N
|
|
421
|
Cc1ccn(n1)Cc2nc([nH]n2)N
|
|
422
|
|
|
423
|
[H]/N=c/[nH]c-2c(s1)-c3cccc4c3c2ccc4
|
|
424
|
c1c[nH]c2c1cc3c(c2)OCO3
|
|
425
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
426
|
CCN1CCc2c(c([nH]c(=O)c2C#N)[O-])C1
|
|
427
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
428
|
c1cc(oc1)c2c(oc(=O)o2)c3ccco3
|
|
429
|
CC1NC(ON1)C2CCC3C(C2)SCN3
|
|
430
|
c1ccc2c(c1)c(ccn2)c3cocn3
|
|
431
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
432
|
CC1NC(ON1)C2CNCCN2
|
|
433
|
CC1=CC[C@@H]2C[C@@H]3C(=N[C@@H]2O1)CC(CC3=O)(C)C
|
|
434
|
CC1NC(ON1)CC2CCCS2
|
|
435
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
436
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
437
|
Cc1cn(cn1)c2cccnc2
|
|
438
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
439
|
Cc1c(non1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)O[C@@H]3CO
|
|
440
|
COC(=O)Oc1c(c2c(s1)nc3ccccc3n2)N
|
|
441
|
CSc1nc(sn1)NC(=O)c2nc[nH]n2
|
|
442
|
Cc1c2c(nc3ccccc3n2)n(n1)c4nccs4
|
|
443
|
CCCC(=O)[C@@H](CC)Sc1ccoc1C
|
|
444
|
|
|
445
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
446
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
447
|
CN(CC(=O)[O-])c1ncc2c(n1)C=CCC2
|
|
448
|
c1cn(nc1n2cnnn2)C34CC5CC(C3)CC(C5)C4
|
|
449
|
CCOC(=O)N1CCNC(=O)C1
|
|
450
|
c1c(c(sc1Cl)Cl)C2=NCCNC2=O
|
|
451
|
c1ccc(cc1)OCc2nnco2
|
|
452
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
453
|
c1ccc(cc1)C2=NCCNC(=O)C2
|
|
454
|
Cc1c(nnn1C)c2csnn2
|
|
455
|
CC1=NN(C(=O)C1)C(=O)c2ccc(cc2)O
|
|
456
|
Cc1cc2ncn3c4ccccc4nc3n2n1
|
|
457
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
458
|
COc1ccc(cc1)/N=c/c3ccccc3[nH]c(=O)cn2
|
|
459
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
460
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
461
|
c1ccc(cc1)[C@@H]2[C@@H]3C(=NC(=O)N2)NC(=O)N3
|
|
462
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
463
|
c1c(cn[nH]1)C23CC4CC(C2)CC(C4)C3
|
|
464
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
465
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
466
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
467
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
468
|
Cc1c2c(n3c(n1)c(cn3)C#N)SCC2
|
|
469
|
Cc1cc(no1)Cn2c3ccccc3nn2
|
|
470
|
C1CN2C(NC1=[NH2+])O[C@@H]3[C@H]2C[C@@H]([C@H]3O)CO
|
|
471
|
C1N=C(N=C2N1[C@H]3[C@@H](O2)[C@@H]([C@@H](O3)CO)O)N
|
|
472
|
CC1C2C(C(CN1)CO)C=C3CCCC=C3O2
|
|
473
|
c1cccc(c1)CC/C2=CC(=O)[O-]
|
|
474
|
c1ccc(cc1)[C@@H]2C(=N[C@@H](C(=N2)C#N)C(=O)N)c3ccccc3
|
|
475
|
c1ccc(cc1)c2cnc3c(n2)non3
|
|
476
|
c1ccnc(c1)SCc2[n-]nnn2
|
|
477
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
478
|
CC(=O)Nc1nccc(n1)c2cc(no2)c3ccccc3
|
|
479
|
c1ccc(cc1)/C=C/2NC(=O)C(=O)O2
|
|
480
|
Cc1nc2cccc3c2n1CCN3
|
|
481
|
c1cc2c(cc1F)c3c(cn2)nco3
|
|
482
|
Cc1c2c(ccc(n2)NC(=O)C)n(n1)C
|
|
483
|
CCCCc1[nH]cc([nH+]1)CO
|
|
484
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
485
|
c1c[nH]c(=O)nc1NC(=O)c2nc[nH]n2
|
|
486
|
C/1C[C@H]2[C@@H](CC/C=C1)NC2=O
|
|
487
|
Cn1cccc1/C=C(/c2ccccc2)OC
|
|
488
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
489
|
c1cc(sc1)CC(=O)n2cnnc2
|
|
490
|
CC1C(CN2C1C(=O)[NH]CN2)[O-]
|
|
491
|
C1CCC2C(C1)C(=O)N3C(S2)NC(N3)N
|
|
492
|
CCOC(=O)C1=NCc2c1cccc2
|
|
493
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
494
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
495
|
Cn1cc(cn1)c2ccncc2
|
|
496
|
c1ccc(cc1)c2nccnn2
|
|
497
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
498
|
CCOC(=O)C1=CNc2ccccc2N=C1N
|
|
499
|
CC1CC2N(N1)C(=O)C3CC4CCCCC4CC3O2
|
|
500
|
C[C@@H]1CN=C(c2c1cccc2)C
|
|
501
|
CCOC(=O)[C@@H](c1ccccc1)Sc2cn[nH]n2
|
|
502
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
503
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
504
|
CN1C=CC(=CC2CCCCC2)C=C1
|
|
505
|
c1ccc(cc1)[C@H]2[C@H]([C@H]3[C@@H](O2)CC(=O)O3)O
|
|
506
|
c1cc(sc1)c2c(cn[nH]2)c3ccnc(n3)N4CCOCC4
|
|
507
|
C[C@@H](C(=O)C1=N[C@@H]2C(=[NH+]C1)NC(=NC2=O)[NH-])[O-]
|
|
508
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
509
|
[H]/N=C/1NC(=C2C(=Nc3ccc(nc3S2)OC)[N-]1)N
|
|
510
|
CC(=O)n1c2c(c(c1N)C#N)CC(OC2)(C)C
|
|
511
|
c1cc(cnc1)Cn2c3c(cn2)c(nc(n3)N)c4ccco4
|
|
512
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CO2
|
|
513
|
CCOC(=O)N1CCc2c(nc([nH]c2=O)N)C1
|
|
514
|
C=CCSc1nccn1c2ccccc2
|
|
515
|
CN(C)c1nnnn1c2cccnc2
|
|
516
|
c1cc(sc1)c2cncnc2
|
|
517
|
c1ccc2c(c1)c3c(con3)c(=O)o2
|
|
518
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
519
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
520
|
Cc1cc(n(n1)c2nc3ccccc3o2)N
|
|
521
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
522
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
523
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
524
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
525
|
Cn1cc(cn1)c2c(c(=O)c3ccccc3o2)[O-]
|
|
526
|
c1ccc(cc1)NCn2cncn2
|
|
527
|
C1C(SC(N1)N)[C@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
528
|
CC(=O)c1ccc-2c(c1)-c3c2cccc3
|
|
529
|
CC(=O)NCCc1coc2c1ccnc2
|
|
530
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
531
|
c1ccc(cc1)c2cncnc2
|
|
532
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
533
|
CS(=O)(=O)n1c2ccccc2c(n1)I
|
|
534
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
535
|
|
|
536
|
Cc1ccc(cc1)n2cnc(=O)c(n2)C#N
|
|
537
|
c1ccc2c(c1)c(=O)n3n2C[C@@H](C3)O
|
|
538
|
C(CC#CC#CCCCO)CO
|
|
539
|
CCOC(=O)[C@@]12CCC[C@@]1(NC(=O)C3C2CCNC3)O
|
|
540
|
|
|
541
|
c1cc(oc1)c2c(snn2)C(=O)[O-]
|
|
542
|
Cc1ccc(nc1)n2cnnn2
|
|
543
|
C1CCC(CC1)N2CNc3nnnn3C2
|
|
544
|
Cc1c2c(n[nH]1)CC(C=C2)(C)C
|
|
545
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
546
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
547
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
548
|
Cc1nnc(s1)c2cc3ccccc3n2C
|
|
549
|
Cc1ccc(c(n1)N)Cn2c(c(sc2=O)CCO)C
|
|
550
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
551
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
552
|
c1ccc2c(c1)C(=O)[C@@H](O2)c3cnc4ccccc4n3
|
|
553
|
Cn1c(nnc1SC)Cn2c3ccccc3sc2=O
|
|
554
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
555
|
COC(=O)c1ccc(o1)C#N
|
|
556
|
c1cc(oc1)c2cc(no2)CO
|
|
557
|
|
|
558
|
c1ccc2c(c1)-c3ccccc3N=CN2
|
|
559
|
CSc1nccc(n1)c2cnoc2
|
|
560
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
561
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
562
|
CCCC(=O)N[C@@]1(C(=O)N(C(=N1)O)C)C(F)(F)F
|
|
563
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
564
|
Cc1nnc2n1nc(n2c3ccccc3)[O-]
|
|
565
|
CC(=O)[C@@H]1O[C@@H]2C=C3CCC=CC3=C[C@@H]2O1
|
|
566
|
CNC1C2C(C3CCCCC3S2)NNN1
|
|
567
|
Cn1c2ccccc2n3c1n[nH]c3=O
|
|
568
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
569
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
570
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
571
|
c1ccc2c(c1)c(ncn2)n3cncn3
|
|
572
|
c1cc2cccc3c2c(c1)C4=NS(=O)(=O)N=C34
|
|
573
|
c1[nH]c2c(n1)NC(=O)CNC2=O
|
|
574
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
575
|
CCOC(=O)C1=C(NC(=O)NC1)CSC2[NH]NCN2
|
|
576
|
C[C@@H]1c2cccn2CCN1c3c4cn[nH]c4nc(n3)N
|
|
577
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
578
|
c1ccc(cc1)c2cc(no2)c3ncon3
|
|
579
|
c1ccc(cc1)c2c(cc(=O)[nH]n2)[O-]
|
|
580
|
c1cc(oc1)C(=O)n2cnc(n2)N
|
|
581
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
582
|
CC(=O)OC1=C(O[C@H]2[C@@H]1OC(O2)(C)C)[C@@H]3COC(O3)(C)C
|
|
583
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
584
|
c1ccc(cc1)c2nc(co2)Cn3cnc(n3)C#N
|
|
585
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
586
|
CC1=C(NC(=O)[C@@H](NC1=O)c2ccccc2)C
|
|
587
|
Cc1c(c2n(n1)[C@@H](C(=O)N2)CC(=O)[O-])c3ccccc3
|
|
588
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
589
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
590
|
CC1=NC2=Nc3ccccc3CN2C(=C1)O
|
|
591
|
Cc1cc(no1)c2nc(on2)C(C)(C)C
|
|
592
|
CCO[C@@H]1C(c2cc(ccc2O1)OS(=O)(=O)C)(C)C
|
|
593
|
Cc1ccc(cc1)SCc2nc([nH]n2)N
|
|
594
|
COC(=O)c1cc2c(cccn2)oc1=O
|
|
595
|
c1ccc(cc1)C2=NC(=O)CC(=O)N2
|
|
596
|
C[C@@H]1C(=C(Nc2n1c3ccccc3n2)C)C(=O)OC
|
|
597
|
|
|
598
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
599
|
COc1cc2c(cc1OC)[C@@H]3C=C[C@H]2O3
|
|
600
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
601
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
602
|
C1CCC(CC1)C2C(C3C([NH]C2=O)SNN3)[O-]
|
|
603
|
CC(=O)Nc1nnc(s1)c2c(non2)N
|
|
604
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
605
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
606
|
CCN1CNNC1C2C3CCCCC3SN2
|
|
607
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
608
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
609
|
|
|
610
|
Cn1cnc2c1ccnc2C(=O)NCC(=O)[O-]
|
|
611
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
612
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
613
|
c1cc(cnc1)CNCCc2ccco2
|
|
614
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)C(=O)O2
|
|
615
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
616
|
Cc1c(cc2cc[nH]c2n1)C#N
|
|
617
|
c1ccc(cc1)N2CCNC2=O
|
|
618
|
CC[C@@H]1Nc2ccccc2N1c3ccc(cc3)Cl
|
|
619
|
c1[nH]c(=O)c2c(n1)NC(=O)C2
|
|
620
|
CC1(COC2CC(CC3C2N1NN3)N)C
|
|
621
|
c1ccc2c(c1)C[C@@H]3CC[C@@H](C3=N2)O
|
|
622
|
C1CCC(CC1)n2c3c([nH]c(=O)c2=O)CCC3
|
|
623
|
c1cc2cccc-3c2c(c1)-c4c3nnc(n4)[O-]
|
|
624
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
625
|
C1CCC2(CC1)CNC(=O)O2
|
|
626
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
627
|
|
|
628
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
629
|
CC(=O)N1C=Cc2ccccc2[C@@H]1C#N
|
|
630
|
c1cc([nH]c1)c2[nH][nH]c(=O)n2
|
|
631
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
632
|
c1ccc(cc1)c2c3c([nH]n2)CCC3
|
|
633
|
CCn1c2cc(=O)[nH]c(c2c(n1)N)[O-]
|
|
634
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
635
|
CO[C@@H]1C=C[C@@H]2[C@@H](O1)CO[C@@H](O2)c3ccccc3
|
|
636
|
c1c([nH]cn1)CCNC(=O)C2=NC=NC2
|
|
637
|
C(#N)c1c(non1)Oc2c(non2)C#N
|
|
638
|
c1cc2c(c(c1)S(=O)(=O)CCC(=O)[O-])non2
|
|
639
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
640
|
c1ccc2c(c1)[N-]C3=NC(=O)C(=O)N23
|
|
641
|
COC(=O)c1c2c(c(s1)SCC(=O)[O-])[nH]cn2
|
|
642
|
Cnccs/c1=NC(=O)c2ccc[nH]2
|
|
643
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
644
|
Cc1c(c(on1)N)C2=CCN(CC2)C(=O)C
|
|
645
|
Cc1cn(nn1)c2ccccc2
|
|
646
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
647
|
CNC1NNNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
648
|
Cc1cnn(c1)C(=O)c2c(noc2C)C
|
|
649
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
650
|
C#Cc1ccc2c(c1)nccn2
|
|
651
|
c1ccc2c(c1)ccc3c2c4c(o3)cno4
|
|
652
|
c1ccc(cc1)n2c(nnc2[O-])c3cccnc3
|
|
653
|
c1ccc2c(c1)nnn2C3=CCCO3
|
|
654
|
C1CCC2=C(C1)C3=NC(=O)CN3C(=O)N2
|
|
655
|
C1CCC2C(C1)[C@@H]3C[C@]2(C=C3)CO
|
|
656
|
CCNC(=O)Oc1c2ccccc2on1
|
|
657
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
658
|
Cc1c2c(ccnc2c3c(n1)non3)[O-]
|
|
659
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
660
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
661
|
Cc1c(nccn1)c2ccn[nH]2
|
|
662
|
Cc1nnc(o1)c2nc3ccc(cc3c(n2)Cl)Cl
|
|
663
|
c1ccc(cc1)n2c(noc2=O)c3cccnc3
|
|
664
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
665
|
Cc1ccc(cc1)C2=C(C(=O)NS2(=O)=O)C
|
|
666
|
c1ccc(cc1)c2c3c(non3)on2
|
|
667
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
668
|
c1cc(cnc1)C(=O)c2nccn2c3ccc(nn3)[O-]
|
|
669
|
c1ccc2c(c1)c3c(o2)CNCC3
|
|
670
|
Cc1[nH]nc(n1)[C@@H](c2ccccc2)NC(=O)C
|
|
671
|
c1ccc(cc1)c2c[nH]nc2c3ccc(cc3O)O
|
|
672
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
673
|
CC1=CC(=O)Nc2c(cccn2)O1
|
|
674
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
675
|
Cc1nc(on1)NC(=O)c2ccccc2
|
|
676
|
Cc1c2cnc3ccccc3n2nn1
|
|
677
|
c1ccc(cc1)Cc2cnns2
|
|
678
|
C[C@@H]1Cc2nc(cc(=O)n2N1c3ccccc3)[O-]
|
|
679
|
Cc1c2cc(sc2n(n1)C)CO
|
|
680
|
c1ccc2c(c1)Cc3c(ccs3)C=C2
|
|
681
|
c1ccc2c(c1)CC[NH+]=C2c3ccco3
|
|
682
|
c1c2c(c(n[nH]c2=O)[O-])nc(n1)N
|
|
683
|
c1cc(cc(c1)Cl)n2c(=O)c3c(nc2[O-])non3
|
|
684
|
Cc1nc(no1)CSc2ccccc2
|
|
685
|
C1Cn2c(=O)[nH]c(=O)nc2N1
|
|
686
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
687
|
C[C@@]1(C(OC(=O)N1CCc2ccco2)(C)C)O
|
|
688
|
CS(=O)(=O)NC[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
689
|
c1cc(cnc1)c2cc([nH]n2)N
|
|
690
|
CCOC(=O)c1nccnn1
|
|
691
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
692
|
c1cc(sc1)[C@H]2C=N[C@@H]3C=CC=C[C@@H]3N2
|
|
693
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
694
|
CCOC(=O)C1=CN/C(=C(/O)OCC)/C1=O
|
|
695
|
c1cc(ncc1C#N)Sc2nccs2
|
|
696
|
Cn1cccc1CCn2ccnc2
|
|
697
|
c1cc(nc2c1Nc3c(c(ncn3)N)S2)Cl
|
|
698
|
CSc1nnc(c(=O)n1N)/C=C/c2cccs2
|
|
699
|
c1ccc2c(c1)n3c(o2)[nH+]c(nc3=O)N
|
|
700
|
CC(C)CN1C[C@@H](CC1=O)/C(=N/c2[nH]ncn2)/[O-]
|
|
701
|
Cc1cc(n(n1)C(=O)c2c(n[n-]n2)Nc3ccccc3F)C
|
|
702
|
c1csc2c1-c3c(c(no3)C(=O)[O-])CC2
|
|
703
|
|
|
704
|
c1ccn(c1)C2CCN(CC2)CCC#N
|
|
705
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
706
|
C1COCCN1c2nnc(o2)N
|
|
707
|
C1CCC2C(C1)CCN2[C@@H]3C4CCCCC4C(=O)O3
|
|
708
|
c1ccc(cc1)Oc2[nH]nnn2
|
|
709
|
c1ccc2c(c1)-c3c(nc4nnnn4n3)C2=O
|
|
710
|
c1cc(oc1)C(=O)Nc2nc(co2)C(=O)[O-]
|
|
711
|
Cc1c2ccccc2c(=O)on1
|
|
712
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
713
|
|
|
714
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
715
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
716
|
CC1=C[C@@H](n2c(ncn2)N1)c3ccccc3F
|
|
717
|
c1cc(sc1)[C@H]2CCCN2CCC#N
|
|
718
|
C1C[C@@]2(CC(=O)OC2)CNC1=O
|
|
719
|
Cc1nc-2c(n1O)CCc3c2non3
|
|
720
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
721
|
CCC1NC(NO1)CSC2[NH]NCN2
|
|
722
|
Cc1nnc-2n1C(Cc3c2cccc3)(C)C
|
|
723
|
CCOC(=O)C1=C(Oc2ccccc2NC1=O)N
|
|
724
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
725
|
c1ccc2c(c1)c3noc(=O)n3cn2
|
|
726
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
727
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
728
|
CN1CCOc2c1cnn(c2=O)CCO
|
|
729
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
730
|
Cc1c(c(n[nH]1)C)Sc2c(=O)[nH]c(nn2)[O-]
|
|
731
|
c1c(=O)nc2n3c1NC(=O)Cc3cs2
|
|
732
|
CCSc1nnc(s1)/N=C(/C2CCC2)[O-]
|
|
733
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
734
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
735
|
Cc1nc(c(s1)c2nc[nH]n2)C(F)(F)F
|
|
736
|
CCn1c2c(c(n1)C)NC(=O)CNC2=O
|
|
737
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
738
|
c1ccc2c(c1)CCN2Cn3c4ccccc4nn3
|
|
739
|
c1ccc2c(c1)C(=O)Nc3ccccc3S2
|
|
740
|
CC1C2C(NCN1)S[C@@H](CC2)O
|
|
741
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
742
|
CC1=C[C@@]23C=CC=CC2=CN=C3C=C1
|
|
743
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
744
|
c1c2cn[nH]c2cnc1Cl
|
|
745
|
c1ccc2c(c1)-n3ccnc3CO2
|
|
746
|
CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1
|
|
747
|
Cc1ccc(cc1)N2Cc3ccccc3C=C2N
|
|
748
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
749
|
CC[C@@]1(C(=O)N=C2N1C(=O)c3c2cccc3)C
|
|
750
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
751
|
Cc1c(cc2c(c(sc2n1)c3nnc(o3)C)N)C(=O)C
|
|
752
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
753
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
754
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
755
|
Cc1c(c(n[nH]1)C)[C@@H]2C[C@@H](C=C2)O
|
|
756
|
CCOC(=O)c1ns/c(=NCCCC#N)/n1C
|
|
757
|
c1cc2c3c(c(ncn3)n4cccn4)sc2nc1
|
|
758
|
Cn1cc(ccc1=O)c2c(cccn2)Cl
|
|
759
|
c1ccc2c(c1)c3c([nH]2)C=NCC3
|
|
760
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
761
|
Cc1[nH]c(=O)c2c3c(c(=O)oc2n1)nns3
|
|
762
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
763
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
764
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
765
|
c1ccc(cc1)C#CCS(=O)(=O)[O-]
|
|
766
|
C[C@@](c1ccccn1)(c2cn(nn2)c3ccccc3)O
|
|
767
|
|
|
768
|
C1CCC(CC1)CC2=NCOC2=O
|
|
769
|
c1(=O)c(=O)sc2nnc(n2[nH]1)C(F)(F)F
|
|
770
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
771
|
Cc1c2cc(ccc2[nH]n1)F
|
|
772
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
773
|
COCCC/N=C/[C@@H](C(=O)C1=O)NCCO
|
|
774
|
C[C@@H]1C#CC[C@@H](/C=C/CCCCC1=O)OCOC
|
|
775
|
C1C=C2C(=C[C@@]1(CCO)N)OCO2
|
|
776
|
COc1c(nccn1)N2CCC(CC2)NS(=O)(=O)C
|
|
777
|
c1ccc(cc1)[C@@H]2C(=O)Oc3cccnc3S2
|
|
778
|
Cc1c-2c(oc1C(=O)[O-])CCc3c2[nH]nc3
|
|
779
|
c1nc(nc2n1c3c(n2)CCC3)N
|
|
780
|
C1/C(=CC(=O)[O-])/[C@@](OC1=O)(CCC(=O)[O-])O
|
|
781
|
c1[nH]c(=O)c2c(n1)c(c3n2CCCC3)C#N
|
|
782
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
783
|
c1c[nH]nc1C(=O)Nc2nccs2
|
|
784
|
CN(C)c1nc2c(s1)cc(s2)C(=O)[O-]
|
|
785
|
c1ccc2c(c1)c(=O)[nH]c3n2nnc3
|
|
786
|
CC(C)(C)n1c2c(cn1)CNC(=N2)Cl
|
|
787
|
CN1C(=C/C(=C/2N=NC(=[NH2+])O2)/NC1=O)[O-]
|
|
788
|
C1C[C@H]2[C@@]34C[C@@H](N2C1)C=CC3=CC(=O)O4
|
|
789
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
790
|
c1c(c(n(n1)C(=O)CCN2CCOC2=O)N)C#N
|
|
791
|
Cc1c2c(nc(s2)C#N)n(n1)C
|
|
792
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
793
|
c1cc(=O)n(nc1[O-])c2[n-]nnn2
|
|
794
|
c1cc(ccc1CC(=O)Nc2[n-]nnn2)Cl
|
|
795
|
C[C@@H]1[C@@H]2CNC(=[NH+][C@@H]2NC(=O)N1)O
|
|
796
|
C1CCC2C(C1)C=NC3CCCCC3S2
|
|
797
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
798
|
CCNc1nn2c(=O)cc(nc2s1)C
|
|
799
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
800
|
c1cc2c(=O)[nH]c3c(n2c1)ccs3
|
|
801
|
CCn1c(=O)n-2c(n1)COc3c2cc(cc3)Cl
|
|
802
|
CCCCCCC1CN[NH]N1
|
|
803
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
804
|
Cc1cccc(c1NC(=O)CNc2cn[nH]n2)C
|
|
805
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
806
|
Cc1c(n2ccsc2n1)c3nnc(n3C)SCC(=O)NC
|
|
807
|
COC(=O)c1c(non1)n2cccc2
|
|
808
|
c1cnc(cn1)c2c(nco2)C(=O)[O-]
|
|
809
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
810
|
|
|
811
|
c1csc2c1CN(CC2)C(=O)N
|
|
812
|
CC1CCC2C(N1)C(=O)NC[NH]2
|
|
813
|
CCO[C@@H]1C[C@@H](C=CO1)c2ccccc2
|
|
814
|
|
|
815
|
Cc1c2c([nH]n1)NC3=C([C@@H]2C)C(=O)OC3
|
|
816
|
CC([C@@H]2CC[C@@H](C2)/C1=C/S(=O)(=O)[O-])C
|
|
817
|
c1ccn(c1)c2ccc(cc2)SCC(=O)[O-]
|
|
818
|
Cc1nnc(o1)SCC#C
|
|
819
|
c1c(sc(n1)Cl)Cn2cc(nn2)CO
|
|
820
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
821
|
c1cc2c(c(c1)n3cccn3)CCCN2
|
|
822
|
C=CCOc1cccnc1N
|
|
823
|
CS(=O)(=O)n1c2ccccc2nn1
|
|
824
|
CC1=C(CC(=O)N1Cc2ccco2)C(=O)OC
|
|
825
|
Cc1c(c(n[nH]1)C)Sc2nnc(s2)SC
|
|
826
|
CCCOn1c(nnn1)c2ccccc2
|
|
827
|
CCCc1nncn1NC(=O)OCC
|
|
828
|
CC(=O)OC/C=C/c1cccnc1
|
|
829
|
Cc1c2c(c(=O)n(nn2)CC(=O)NC)n(n1)C
|
|
830
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
831
|
CC1C(NC2C(N1)C(NNC2N)N)C
|
|
832
|
Cn1cc(cn1)NCc2ccco2
|
|
833
|
Cc1c(c(n[nH]1)n2cnnc2)c3ccc(cc3)OC
|
|
834
|
C1NC(C2N1CCC(=O)N2)C(=O)N
|
|
835
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
836
|
c1c2c(n[nH]c1=O)CCCC2
|
|
837
|
c1ncn(n1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
838
|
c1ccc(cc1)/[NH+]=c/2cc(nc3n2cccc3)Cl
|
|
839
|
c1cc2c(nc1)S[C@@]3(C2=O)CCOC3=O
|
|
840
|
Cc1c2cnsc2n(n1)c3ccccc3
|
|
841
|
c1ccc(cc1)c2cnccn2
|
|
842
|
c1cc2c3c(c(=O)[nH]c2nc1)C=NCCO3
|
|
843
|
Cc1cc2n3c(cc(n3)C)n4c(n2n1)cc(n4)C
|
|
844
|
C1CC2(CC2)[C@@H]3[C@@H]1NC(=O)C3
|
|
845
|
Cc1c(c(n[nH]1)O)CCC#N
|
|
846
|
Cc1ccc(cc1)Sc2c(cccn2)n3cccc3
|
|
847
|
CC1(Cc2c(oc3c2c(ncn3)N)CO1)C
|
|
848
|
c1c2c(nc(nc2oc1C(=O)[O-])C(F)(F)F)[O-]
|
|
849
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
850
|
c1ccc2c(c1)[nH]c3n2ncn3
|
|
851
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
852
|
CC1=CC(=O)Nc2ccccc2S1
|
|
853
|
CN1CCC=C1c2cccnc2
|
|
854
|
c1nc2c(c(n1)N)N=C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
|
|
855
|
c1ccc(cc1)n2c(c(c(nc2=O)Cn3cncn3)C#N)N
|
|
856
|
c1cc2c(cc1S(=O)(=O)[O-])nc[nH]2
|
|
857
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
858
|
c1ccc2c(c1)CC3=C(C=C2)C(=O)OC3
|
|
859
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
860
|
c1c[nH]c(=O)c2c1oc(=O)c(c2)N
|
|
861
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
862
|
c1ccc2c(c1)c(c-3n[nH+]c4c(nc23)non4)O
|
|
863
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
864
|
Cn1ccc(n1)C(=O)n2cccn2
|
|
865
|
CC1CC(N(N1)C2CC(NNC2)[O-])C
|
|
866
|
COc1cccc(n1)[C@H]2CCC(=O)NC2
|
|
867
|
C1=N[C@@H]2[C@@H](C(=O)N1)N=CN2[C@@H]3[C@@H]([C@@H]([C@@H](O3)CO)O)O
|
|
868
|
Cc1nnc(o1)CSc2ccccn2
|
|
869
|
CC1CC(C/C(=[NH+]/C2CCCCC2)/O1)O
|
|
870
|
CCOC(=O)N1CCc2cc(=O)[nH]nc2CC1
|
|
871
|
C1C2CC3CC1CC(C2)(C3)n4nc(c(n4)C(=O)[O-])C(=O)[O-]
|
|
872
|
c1cscc1c2cnc(c(n2)N3CCC[C@@H](C3)CCCO)N
|
|
873
|
C1CC(OC1)C2NC(=O)[NH]C(=O)S2
|
|
874
|
c1ccc2c(c1)Oc3cc4cc[nH]c4cc3S2
|
|
875
|
c1c[nH]c2c1c(cc(c2)F)N
|
|
876
|
c1cc(cnc1)c2cccs2
|
|
877
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
878
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
879
|
COC(=O)c1c(ccs1)n2cc(c(=O)[nH]c2=O)C#N
|
|
880
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]4CCCC[C@@H]4O3
|
|
881
|
Cc1cc(nc(n1)SCC2=NC(Cc3c2cccc3)(C)C)C
|
|
882
|
c1[nH]c(=O)c2c(n1)[nH]c(n2)n3cncn3
|
|
883
|
CCC(=O)Oc1c(c(c([nH]1)C)C(=O)C)C
|
|
884
|
c1ccc(cc1)CCOn2ccnc2
|
|
885
|
Cc1c2c(n[nH]1)C=C(C[C@@H]2c3ccco3)c4ccco4
|
|
886
|
Cc1c(c(on1)C)Cc2ccc(s2)C(=O)[O-]
|
|
887
|
c1cc(oc1)Cn2cnc(=O)[nH]c2=O
|
|
888
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
889
|
C1[C@H](O[C@H]([C@@H]1O)CO)CN2[C@@H](N=C3C2=NC(=NC3=O)[NH-])O
|
|
890
|
c1ccc(cc1)C2=CC[C@@](C=C2)(O)Br
|
|
891
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
892
|
Cn1cnnc1Cc2ccccc2
|
|
893
|
c1ccc(cc1)C2=C3[C@@H](CCC2)C(=O)C(=O)O3
|
|
894
|
C=c1/c(=C/c2ccccc2O)/c(=O)o[nH]1
|
|
895
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
896
|
Cn1c2ccnc(c2nn1)NCc3ccco3
|
|
897
|
Cn1c(=O)n2n(c1=O)[C@H]3C[C@@H]2C=C3
|
|
898
|
Cc1c2c(n3c(n1)nnn3)CCC2
|
|
899
|
c1ccc2c(c1)-n3c(n[nH]c3=O)CS2
|
|
900
|
Cc1c(c(n[nH]1)O)n2c3ccccc3c(=O)c4c2cccc4
|
|
901
|
CC1=Nc2cc3c(cc2N=C(C1)C)[nH]c(=O)[nH]3
|
|
902
|
Cc1c(noc1N2CCOC2=O)C
|
|
903
|
Cc1nc(cs1)c2cc(no2)c3nnc(o3)[O-]
|
|
904
|
c1ccc(cc1)[C@H]2[C@H](C(=O)N2)O
|
|
905
|
CC1(CC(=O)C2C3CCCCC3SC2O1)C
|
|
906
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
907
|
c1ccc2c(c1)nnn2S(=O)(=O)c3ccco3
|
|
908
|
CSc1cc(=O)cc(s1)c2ccccc2
|
|
909
|
c1ccc(cc1)Sc2ccccc2
|
|
910
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
911
|
c1ccc(cc1)c2cncs2
|
|
912
|
c1cc(oc1)c2csc(n2)CC#N
|
|
913
|
CC1=Cc2ccccc2C=C[C@@H]1O
|
|
914
|
Cc1c(cc/c(=NC(=O)C(C)C)/[nH]1)Br
|
|
915
|
c1cc2c(cc1Cl)N3CCS(=O)(=O)N=C3O2
|
|
916
|
COc1ccc2c(c1)C(=O)OCCC2
|
|
917
|
COC(=O)N1CCc2c(s[nH]c2=O)C1
|
|
918
|
C1Cc2c(nn(c2N)CCC#N)C1
|
|
919
|
Cc1cc(c(o1)C)c2cc[nH]n2
|
|
920
|
Cc1c(cn(n1)c2ccccn2)N3C[C@@H](CC3=O)C(=O)[O-]
|
|
921
|
c1cc(cnc1)[C@@H]2CC(=O)Nc3c2c4c(s3)CCCC4
|
|
922
|
CC1CCC(CC1)[S@@](=O)C2=CCCO2
|
|
923
|
|
|
924
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
925
|
CC1(C[C@@H](c2n1ccc2)Nc3ccc(cc3)OC)C
|
|
926
|
c1cc2c(c3c1noc3)nco2
|
|
927
|
CO[C@@H]/1CCC2=CCCC=C2C/C=C1
|
|
928
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
929
|
c1cc(cc(c1)OCc2cscn2)N
|
|
930
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
931
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
932
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
933
|
Cc1cc(nc(n1)c2ccn[nH]2)Cl
|
|
934
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
935
|
c1csc2c1c(ncn2)n3ccnc3
|
|
936
|
Cc1nc(c2n1nc[nH]c2=O)CC(C)C
|
|
937
|
C[C@@H](c1ccnc(n1)N)n2cncn2
|
|
938
|
COC(=O)N1CCCNC(=O)C1
|
|
939
|
c1cc(oc1)C(=O)c2[nH+]c3c(n2[O-])CCCCC3
|
|
940
|
c1ccc2c(c1)ncn2c3c(nns3)C(=O)N
|
|
941
|
CS(=O)(=O)Nc1cccc2c1cn[nH]2
|
|
942
|
C1CCC(CC1)[C@@H]2CC(=O)N3CNNC3S2
|
|
943
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
944
|
C1CNc2nc(nn2C1)C(=O)[O-]
|
|
945
|
Cc1[nH]cc(n1)c2ccccc2
|
|
946
|
c1ccc-2c(c1)Cc3c2nc4ncnn4c3
|
|
947
|
CC1=Nc2c(ncn2N=C(C1)C)C#N
|
|
948
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
949
|
CC1CC(N(N1)C2C3CCCCC3SN2)C
|
|
950
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
951
|
Cn1c(c(sc1=O)/C=C/2C=Nc3c2cccc3)O
|
|
952
|
c1ccc2c(c1)nnn2CCS(=O)(=O)N3CCCC3
|
|
953
|
COC(=O)Nc1cc(cc(=O)o1)O
|
|
954
|
c1ccc(cc1)OCCn2ccnc2
|
|
955
|
c1cc2c(cc(=O)oc2cc1O)N
|
|
956
|
CC(C)(C)c1c2c(on1)-c3ccccc3C2=O
|
|
957
|
c1ccc2c(c1)N3CCS(=O)(=O)N=C3S2
|
|
958
|
c1ccc(cc1)[C@@H]2COC(=O)CN2
|
|
959
|
Cc1c(=O)[nH]c(nn1)n2c(=O)ccc(n2)[O-]
|
|
960
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
961
|
c1cnc(c(n1)C(=O)[C@@H]2CCOC2)Cl
|
|
962
|
c1ccc-2c(c1)CSc3c2[nH]nc3O
|
|
963
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
964
|
c1ccc2c(c1)N(CCO2)C(=O)n3ccnc3
|
|
965
|
Cc1nc(cs1)CNc2nccc(n2)OC
|
|
966
|
CC(=O)Nc1coc2c1cccc2
|
|
967
|
C1CCC(CC1)n2c(=O)c3c([nH]c2=O)C=CC3
|
|
968
|
c1ccc2c(c1)C(=O)OCCO2
|
|
969
|
Cc1cc([nH]n1)Sc2cc(=O)cc(s2)SC
|
|
970
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
971
|
c1ccc2c(c1)C3=NCCCN3C2=O
|
|
972
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
973
|
[H]/N=C/N[C@@]2(c3ccccc3C(=O)[C@]2(N1)O)O
|
|
974
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
975
|
CC(=O)OC1C2C3C2C4C3C41
|
|
976
|
c1ccc2c(c1)c(=O)sc(n2)N
|
|
977
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
978
|
CCN1CNC(=NC1)Nc2nc(c3ccccc3n2)C
|
|
979
|
CC1=CC=C2C3CCCCC3C=CN2C(=O)C1
|
|
980
|
CCC1NN2C(=O)NC(NC2S1)SC
|
|
981
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
982
|
c1ccc(c(c1)C(=O)N2CCCS2(=O)=O)F
|
|
983
|
Cc1cccc(n1)n2ccnc2
|
|
984
|
Cc1c2c(n(n1)c3ccccc3)sc(n2)C
|
|
985
|
CNC(=O)N/1CCCCC/N=C1/c2ccccc2
|
|
986
|
Cc1c(c(on1)C)C/C(=N/c2[nH]ncn2)/[O-]
|
|
987
|
CC1(CCc2c(ccc3c2cc(o3)c4ccccn4)O1)C
|
|
988
|
c1ccc2c(c1)N3C[C@H](CN=C3S2)O
|
|
989
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
990
|
Cc1ncc-2n1Cc3c2cccc3
|
|
991
|
c1ccc(cc1)n2c3c(nc2Cl)CCC3
|
|
992
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
993
|
Cc1c(nc2c(n1)cccn2)C
|
|
994
|
c1ccc2c(c1)C(=O)c3nccn3C2=O
|
|
995
|
c1ccc(cc1)CCc2cnccn2
|
|
996
|
c1ccc(cc1)c2nnnn2Cn3ccnc3
|
|
997
|
Cn1c(ccn1)c2nnc(n2C)SC
|
|
998
|
C1CCC2C(C1)CCCC2[C@@H]3[C@@H]4C=CO[C@@H]4O3
|
|
999
|
c1c(c[nH]c1C(=O)[O-])S(=O)(=O)N
|
|
1000
|
c1ccn2cc(nc2c1)CC#N
|
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