(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
2
|
c1ccc(cc1)OC(=O)Nc2c[nH]nc2
|
|
3
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
4
|
Cncc([nH]/c1=NC(=O)C23CC4CC(C2)CC(C4)C3)[O-]
|
|
5
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
6
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
7
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
8
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
9
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
10
|
c1ccc(cc1)c2c3cc(cnn3c(n2)N)C(=O)c4ccccc4O
|
|
11
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
12
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
13
|
c1cnccc1c2cc3c(o2)CCNC3=O
|
|
14
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
15
|
c1ccc2c(c1)OC(=Cc3ccco3)O2
|
|
16
|
c1ccc(cc1)C(=O)CC2=CCCCC2
|
|
17
|
|
|
18
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
19
|
c1ccc(cc1)OCC2=C(C(=O)O[C@@H]2O)COc3ccccc3
|
|
20
|
c1ccnc(c1)N[C@@H]2C[C@@H]3[C@H](O2)[C@@H](CO3)O
|
|
21
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
22
|
c1ccc(cc1)CNc2cnccn2
|
|
23
|
c1ccc2c(c1)CCC(=C2)c3cccnc3
|
|
24
|
c1cn(nc1CC(C(F)(F)F)(C(F)(F)F)O)C(=O)N
|
|
25
|
C[C@@]1(COC(=N1)COc2ccccc2)CO
|
|
26
|
c1ccc(cc1)N2Cc3ccccc3C2
|
|
27
|
CC(C)(C)OC(=O)NCc1c[nH]nc1
|
|
28
|
c1cc(sc1)CCc2c(cco2)C(=O)[O-]
|
|
29
|
c1ccc(cc1)Oc2nc3cnccn3c(=O)n2
|
|
30
|
c1ccc(cc1)COC(=O)N2CCC[C@H]2Cc3[n-]nnn3
|
|
31
|
c1ccc(cc1)c2nc(on2)SCC(=O)[O-]
|
|
32
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
33
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
34
|
c1ccc(cc1)[C@@H]2C(=N2)c3ccccc3
|
|
35
|
c1coc2c1[C@@H](CCC2)NC(=O)c3cnccn3
|
|
36
|
Cc1ccc(cc1)OC(=O)OCSc2[n-]nnn2
|
|
37
|
c1ccc(cc1)SC2=CCCCCC2
|
|
38
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
39
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
40
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
41
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
42
|
c1cc(cnc1)CNCCc2ccco2
|
|
43
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
44
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
45
|
|
|
46
|
c1ccc(cc1)Sc2c3[nH]ncn3c(=O)nn2
|
|
47
|
c1cc(sc1)c2cc3c(=O)[nH]ncn3n2
|
|
48
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
49
|
c1cc(cnc1)C(=O)c2ccco2
|
|
50
|
COc1ccccc1C/C=C/c2cccs2
|
|
51
|
[H]/N=c/n(ccs1)/N=N/c2ccccc2
|
|
52
|
c1ccc(cc1)CCOn2ccnc2
|
|
53
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
54
|
c1ccc(cc1)C2=COc3ccccc3O2
|
|
55
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
56
|
c1cc(cnc1)C2=C3C(=CC(=N3)C(=O)[O-])OC2
|
|
57
|
c1cc(ccc1Nc2cn[nH]c(=O)c2Cl)F
|
|
58
|
Cc1[nH+]ccn1CCc2nc(nc(n2)N)N
|
|
59
|
c1ccc(cc1)NCc2ccco2
|
|
60
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
61
|
c1ccc(cc1)/C=C/2NC(=O)C(=O)O2
|
|
62
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
63
|
c1ccc2c(c1)ccn2Cc3cnc(s3)Cl
|
|
64
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
65
|
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
|
|
66
|
c1ccc(cc1)NCc2cscn2
|
|
67
|
CC(=O)OC/C=C/c1cccnc1
|
|
68
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
69
|
CC1=C(Oc2ccccc2O1)c3ccccn3
|
|
70
|
|
|
71
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
72
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
73
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
74
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
75
|
c1cc(ccc1[C@@H]2CN=CC=N2)[C@@H]3CN=CC=N3
|
|
76
|
c1cc(cnc1)[C@@H]2Cc3cc(ccc3O2)C#N
|
|
77
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
78
|
c1csc(n1)SCc2nc(nc(n2)N)N
|
|
79
|
C1CNCC2C1NN(N2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
80
|
CC(=O)c1ccc-2c(c1)-c3c2cccc3
|
|
81
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
82
|
COC(=O)CCCCc1c2c(cs1)[nH]c(=O)[nH]2
|
|
83
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
84
|
CC1(OC(=CC(=O)O1)CC(=O)c2ccco2)C
|
|
85
|
c1ccc(cc1)c2cc3cnsc3o2
|
|
86
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
87
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
88
|
c1ccc(cc1)S[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
89
|
|
|
90
|
c1ccc(cc1)C(=O)C[C@@H]2c3c([nH]c(=O)s3)SC2=O
|
|
91
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
92
|
c1cc(sc1)CSc2ccc(cc2)O
|
|
93
|
c1ccc(cc1)/C=C/CN2CCC(CC2)C#N
|
|
94
|
Cc1ccc(o1)[C@@]2(CCNC(=O)O2)C(F)(F)F
|
|
95
|
c1ccc(cc1)c2cc3ccsc3o2
|
|
96
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
97
|
|
|
98
|
Cn1c(=O)c(cn(c1=O)Nc2ccccc2)C#N
|
|
99
|
c1ccc(cc1)NCCn2cccc2
|
|
100
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
101
|
c1ccc-2c(c1)-c3c2cc(cc3)N
|
|
102
|
CC(C)CCN1C=N[C@@H]2C1=NC(=NC2=O)N
|
|
103
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
104
|
c1c(cn(n1)Cc2nc(on2)C(=O)N)Cl
|
|
105
|
c1ccc(cc1)n2cc3cnnc(c3n2)[O-]
|
|
106
|
c1cnccc1CSc2nncs2
|
|
107
|
c1ccc(cc1)C=N2=CC=CC=C2
|
|
108
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
109
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
110
|
Cc1cs/c(=NC23CC4CC(C2)CC(C4)C3)/o1
|
|
111
|
c1cc(nn2c1ncc(c2=O)N)N3CCCC3
|
|
112
|
c1ccc(cc1)OCn2ccc(=O)cc2
|
|
113
|
CC1=C2C(=N[C@@H]1c3ccncc3)CCNC2=O
|
|
114
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
115
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
116
|
CC1(CC2=N[C@@H](N=C2C(=O)C1)c3ccccc3)C
|
|
117
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
118
|
c1ccc(cc1)OC(=O)N2CC(=CC=C2)CO
|
|
119
|
CC1=NC(=O)C2(N1)CCN(CC2)c3ccnc4c3cn[nH]4
|
|
120
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
121
|
Cc1[nH]c(=O)cc(n1)Cn2cnc3c2cccc3
|
|
122
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
123
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
124
|
CCS(=O)(=O)n1c(cc(n1)c2ccccc2)N
|
|
125
|
c1ccc(cc1)SCN2CCOCC2
|
|
126
|
c1ccc(cc1)S[C@@H]2CC(=O)[C@@H]3OC[C@H]2O3
|
|
127
|
COC1=C(COC1=O)CC2CCCCC2
|
|
128
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
129
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
130
|
CC(C)(C)OC(=O)n1cc2c(c1)C(=O)OCC2
|
|
131
|
c1ncn(n1)C[C@@H]2COC3(O2)CCCCC3
|
|
132
|
CC(C)OC(=O)C1=NC(=O)CC=C1
|
|
133
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
134
|
c1cc(cnc1)NCc2csnn2
|
|
135
|
CC(=O)N[C@H](CS/N=N/c1c(nc[nH]1)C(=O)N)C(=O)[O-]
|
|
136
|
CC(=O)NCCc1coc2c1ccnc2
|
|
137
|
c1cc(sc1)C(=O)[C@@H]2CCC(=O)O2
|
|
138
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
139
|
c1cc(oc1)[C@@H]2Cc3c(cn[nH]3)C(=O)C2
|
|
140
|
c1ccc(cc1)CSc2ccsc2
|
|
141
|
c1ccc(cc1)CC2=CC(=O)[C@H](C=N2)[O-]
|
|
142
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
143
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
144
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)o2
|
|
145
|
c1ccc2c(c1)N[C@@H](O2)c3cccs3
|
|
146
|
C1CCC(CC1)/C=C/2[C@@H]3CCCC[C@@H]3C(=O)O2
|
|
147
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
148
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
149
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
150
|
CC1(C=C(NC(=O)N1)/C=C/c2ccccc2)C
|
|
151
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
152
|
c1cc(cnc1)C2=NC(=O)[C@@H](C=C2)C#N
|
|
153
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
154
|
c1cc2c(nc1)Nc3c(c(=O)nc([nH]3)N)S2
|
|
155
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
156
|
Cc1cccc(c1)NC(=O)N2C[C@@H]3C[C@H]2C=C3
|
|
157
|
c1cc(cnc1)N2CC[C@H]3C[NH2+][C@H]3C2
|
|
158
|
c1ccc(cc1)C(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
159
|
c1ccc(cc1)Nn2c3ccccc3nn2
|
|
160
|
c1cnn(c1)Cc2nnc3n2CCC3
|
|
161
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
162
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
163
|
CN1CCC[C@@H](S1(=O)=O)CC2CCCCC2
|
|
164
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
165
|
c1ccnc(c1)C#CCN2CCCCC2
|
|
166
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
167
|
|
|
168
|
COC(=O)c1ccoc1Cn2c(=O)n(nn2)c3ccccc3
|
|
169
|
c1ccc(cc1)OCc2ccco2
|
|
170
|
C1CCC(CC1)/C=C/2CCCCC(=O)N2
|
|
171
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
172
|
c1ccc(cc1)Sn2c3ccccc3nn2
|
|
173
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
174
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
175
|
c1cc(ccc1Nc2cc(=O)[nH]c(=O)[nH]c2=O)F
|
|
176
|
c1ccc(cc1)NC(=O)c2[n-]ncn2
|
|
177
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
178
|
c1cc(sc1)[C@H]2C=N[C@@H]3C=CC=C[C@@H]3N2
|
|
179
|
c1ccc(cc1)c2cn3c(n2)scn3
|
|
180
|
c1ccc(cc1)N2Cn3c(=O)ccc(=O)n3C2
|
|
181
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
182
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
183
|
CC/C(=C/1N=C(C(=O)O1)OC)/C2CCCCC2
|
|
184
|
CCC/N=c/c(=N/c2cccnc2)/c(c1O)O
|
|
185
|
c1ccc2c(c1)ncn2Cc3nnc(o3)N
|
|
186
|
c1ccc(cc1)OCCn2ccnc2
|
|
187
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
188
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
189
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
190
|
Cc1c(c(n(n1)C)Oc2cccnc2)N
|
|
191
|
c1ccc(cc1)C(=O)[C@@H]2[C@H]3[C@@H]2C(=O)[C@@H]4OC[C@H]3O4
|
|
192
|
Cn1cnnc1Cc2ccccc2
|
|
193
|
c1ccc(cc1)Sc2ccccc2
|
|
194
|
c1ccc(cc1)S[C@@H]2CCc3c2cccc3
|
|
195
|
Cc1csc(n1)c2cc3ccccc3oc2=O
|
|
196
|
Cc1c(cno1)c2cn3ccccc3n2
|
|
197
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
198
|
CC1(C(=CC(=O)O1)SC2CCCCC2)C
|
|
199
|
C(CCCC#N)CCCC#N
|
|
200
|
c1ccc2c(c1)c(c[nH]2)Cn3cnnc3
|
|
201
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
202
|
c1cc(oc1Cc2c(=O)[nH]cnc2[O-])C(=O)[O-]
|
|
203
|
C1CC[C@H](NCC1)N/C=C/C2=CCCCC2
|
|
204
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
205
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
206
|
c1ccc(cc1)NC(=O)Nn2cncn2
|
|
207
|
c1cc(cnc1)CCNCc2cscn2
|
|
208
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
209
|
c1ccc(cc1)COn2ccnc2
|
|
210
|
CN1C(NCN1)CCC2CCCCC2
|
|
211
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
212
|
|
|
213
|
c1ccc2c(c1)[nH]c(n2)Sc3ccc(o3)CO
|
|
214
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
215
|
Cn1c-2n/c(=NCc3ccccc3)/n(c2c([nH]c1=O)[O-])CC(=O)[O-]
|
|
216
|
c1ccc(c(c1)c2cc3n(c2)[C@@H](CNC3=O)CC(=O)[O-])F
|
|
217
|
c1ccc(cc1)c2cn(c(cc2=O)C(F)(F)F)CC(=O)[O-]
|
|
218
|
Cc1c(oc(n1)Sc2ccc3nnnn3n2)C
|
|
219
|
c1cc(cc(c1)OCc2cscn2)N
|
|
220
|
c1ccc(cc1)c2c3c(on2)CCNC3
|
|
221
|
c1cc(=O)n(cc1C(F)(F)F)Cc2nnnn2C3CC3
|
|
222
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
223
|
C1CCC(CC1)NSC2CCCCC2
|
|
224
|
c1ccc(cc1)COc2c(nccn2)N
|
|
225
|
Cc1nnc(o1)c2ccc(c(c2)N)O
|
|
226
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
227
|
c1ccc(cc1)NCn2cncn2
|
|
228
|
Cn1cccc1/C=C(/c2ccccc2)OC
|
|
229
|
C1CCC2C(C1)CC(S2)[C@@H](C3CCOC3)O
|
|
230
|
c1ccc(cc1)C2=C3[C@@H](CCC2)C(=O)C(=O)O3
|
|
231
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
232
|
CC[C@@]12N(CCO1)C[C@H](O2)c3ccccc3
|
|
233
|
Cc1cc(=O)cc(o1)/C=C/c2ccnn2C
|
|
234
|
Cn1c(c(c(=O)[nH]c1=O)Sc2nc3ccccc3s2)N
|
|
235
|
Cc1c(c(noc1=O)C)c2ccc(c(c2)C(=O)[O-])Cl
|
|
236
|
C1CCC(CC1)NC2=NC3C(CCCC3C(=O)[O-])C2=O
|
|
237
|
CN1C=CC(=CC2CCCCC2)C=C1
|
|
238
|
CC1(Cc2c(c(n[nH]2)c3cccnc3)C(=O)C1)C
|
|
239
|
CCOC(=O)C1=C(O[C@@]2(C[C@H]1[C@H]3CO[C@@H]2O3)O)C
|
|
240
|
Cc1c(c(n[nH]1)O)Sc2[nH]c3ccccc3n2
|
|
241
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
242
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
243
|
c1ccc(cc1)/C=C/c2[nH]ccn2
|
|
244
|
c1ccc(cc1)c2c3n(cn2)CCCCC3
|
|
245
|
CN1CC(=O)N=C1/N=C(/C23CC4CC(C2)CC(C4)C3)[O-]
|
|
246
|
c1cc(cnc1)/C=C/c2c[nH]nc2c3[nH]cc(n3)C(F)(F)F
|
|
247
|
c1ccc(cc1)NCc2cccs2
|
|
248
|
c1cc([nH]c1)/C=C/c2cccs2
|
|
249
|
CC(=O)c1ncc(o1)c2ccccn2
|
|
250
|
CCO/C=CCC1(CCCC1)O
|
|
251
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
252
|
CC(C)(C)OC(=O)N[C@@H](CC#Cc1ccccc1)C(=O)OC
|
|
253
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
254
|
c1ccc(cc1)O[C@@H]2C[C@H]3CC[C@@H]2[C@@H]4[C@@H]3C=C4
|
|
255
|
c1ccc(cc1)C(=O)c2ccco2
|
|
256
|
c1ccc2c(c1)nc(o2)c3ccco3
|
|
257
|
Cn1cccc1CCn2ccnc2
|
|
258
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
259
|
C1CCC2C(C1)C(NO2)CC3[N-]NNN3
|
|
260
|
Cc1c(c[nH]n1)c2nc(no2)c3ccc(cc3)Cl
|
|
261
|
Cc1ccc(c(c1)c2cc(on2)C(F)F)O
|
|
262
|
Cc1cnn(c1)Cc2cc(no2)C(=O)[O-]
|
|
263
|
c1cc(=O)n2n(c1=O)CN(C2)n3cnnc3
|
|
264
|
CC(C)(C(=O)c1cnoc1N)n2cncn2
|
|
265
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
266
|
C1CC(NNC1)/C=C/C2CCCO2
|
|
267
|
CN1c2ccccc2S[C@@H]1c3ccco3
|
|
268
|
CC(=O)Oc1coc2c1cccc2
|
|
269
|
c1ccc(cc1)C#Cc2cccs2
|
|
270
|
c1ccc(cc1)CN2C=N[C@@H]3[C@@H]2N=C(N=C3N)Cl
|
|
271
|
C1CCC(CC1)CON2CCCC2C#N
|
|
272
|
c1ccc2c(c1)[nH]c(n2)c3ccco3
|
|
273
|
c1ccc(cc1)Cc2cc(=O)c(c[nH]2)C(=O)N
|
|
274
|
c1ccc(cc1)NC(=O)n2ccnc2
|
|
275
|
c1ccc(cc1)/C=C/c2cc(cc(=O)o2)[O-]
|
|
276
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
277
|
c1ccc(cc1)c2cc(no2)c3c(non3)N
|
|
278
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
279
|
c1cnoc1NC(=O)N2CCOCC2
|
|
280
|
Cn1c(cnc1c2cc(=O)c3ccccc3o2)Cl
|
|
281
|
Cc1ccc(s1)Nc2ccccc2
|
|
282
|
c1cc([nH]c1)/C=N/c2ccc(cc2)F
|
|
283
|
c1cnn(c1)CCSc2nncs2
|
|
284
|
c1ccc(cc1)OCc2nc([nH]n2)N
|
|
285
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
286
|
CC1CCC2C(C1)NC(C(=O)O2)C3CCCCC3
|
|
287
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
288
|
CCCCCCC1CN[NH]N1
|
|
289
|
c1ccc(cc1)SN2CCCCCC2=O
|
|
290
|
c1ccc(cc1)NC(=O)[C@H]2C(=O)COC2=O
|
|
291
|
|
|
292
|
Cn1c2nnc(n2nn1)c3ccccc3
|
|
293
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
294
|
CC1CCC(O1)C2CCCC(=O)O2
|
|
295
|
Cc1c(non1)NCNc2c(non2)C
|
|
296
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
297
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
298
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
299
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
300
|
CCOC(=O)C1=C(C(=O)NCC1)[O-]
|
|
301
|
c1ccc2c(c1)n(c(=O)o2)Cc3ccon3
|
|
302
|
Cn1c(=O)c(c(n(c1=O)C)Oc2cccnc2)C#N
|
|
303
|
c1cc(oc1)COCCC#N
|
|
304
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
305
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
306
|
Cc1csc(n1)Cc2nc3ccccc3n2C
|
|
307
|
Cc1c(sc(n1)Cn2cnc(c2Cl)Cl)C(=O)C
|
|
308
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
309
|
Cc1c(cco1)c2nc3ccccc3s2
|
|
310
|
c1ccn(c1)c2ccc3c(c2)nc[nH]3
|
|
311
|
CC(=O)Nc1c2cn[nH]c2ncn1
|
|
312
|
CNC=CN/C1=CC(=O)c2ccccc2
|
|
313
|
CC1(C=CN(C=C1)C(=O)C2=NC=CC2)C
|
|
314
|
COC1=C(C(=O)N[C@@H]1C(=O)c2ccccc2)C(=O)OC
|
|
315
|
c1ccc(cc1)COc2c(non2)N
|
|
316
|
c1ccc(cc1)NC2=NCCCO2
|
|
317
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
318
|
|
|
319
|
CC(C)(C#Cc1cncnc1)OC(=O)NC
|
|
320
|
CC1(CO/C(=C/C(=O)c2ccccc2)/N1)C
|
|
321
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
322
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
323
|
C1CCC(CC1)NC2CCC3N(C2=O)CCC3
|
|
324
|
Cc1[nH]c(=O)cc(n1)CSc2nncn2C
|
|
325
|
C=c1/c(=C/c2cc3ccccc3[nH]2)/c(=O)[nH][nH]1
|
|
326
|
c1ccc(cc1)c2c3ccccn3nn2
|
|
327
|
c1ccc(cc1)C(=O)Nn2cccc2
|
|
328
|
Cc1c(non1)c2cc3ccccn3c2
|
|
329
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
330
|
C1CCC(CC1)NC(=O)CC2CCCO2
|
|
331
|
c1cnccc1c2nnn(n2)CC#N
|
|
332
|
Cc1cn2c(nnc2s1)c3cccnc3
|
|
333
|
c1ccc2c(c1)ncc(n2)Oc3cnns3
|
|
334
|
c1cc(cnc1)[C@@H]2NC(CO2)(CO)CO
|
|
335
|
|
|
336
|
Cc1c(cnc2c1c3cc(ccc3o2)O)C(=O)C
|
|
337
|
CCOc1ccc(cc1)Nn2c(c([nH]c2=O)O)N
|
|
338
|
c1cc(ccc1N)Sc2nncs2
|
|
339
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
340
|
CCN(CC)CC#CC1=CCCC1
|
|
341
|
Cc1c2cnsc2n(n1)c3ccccc3
|
|
342
|
Cc1c(snn1)C(=O)N=[S@](=O)(C)c2ccccc2
|
|
343
|
c1nc([nH]n1)OC23CC4CC(C2)CC(C4)C3
|
|
344
|
c1ccc(cc1)C(=O)c2c3ccccn3nn2
|
|
345
|
Cc1c(non1)NC(=O)OC[C@@H]2CCCO2
|
|
346
|
c1cc(oc(=O)c1)c2cccnc2
|
|
347
|
CN1C(=NC(=O)C12COC(OC2)c3cccnc3)N
|
|
348
|
CNCCS/C1=NC(=O)CN2CNNN2
|
|
349
|
c1cnccc1c2cc3n(n2)CCNC3=O
|
|
350
|
c1cc(cnc1)Cc2nc(=O)[nH]c(=O)s2
|
|
351
|
C1CCC(CC1)/C=C/N2CCNC2
|
|
352
|
CNCC(=N/C1=NC(=O)Nc2ccc(cc2)O)[O-]
|
|
353
|
c1ccc(cc1)/C=C/c2cccs2
|
|
354
|
C1CNC([NH]1)S[C@@H]2[C@H]([C@@H]([C@@H](CO2)O)O)O
|
|
355
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
356
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
357
|
c1cc2c(cc1c3nccs3)CC=C2
|
|
358
|
CCCCO[C@@H](C)n1cnnc1
|
|
359
|
c1ccc(cc1)C(=O)N2CCC3=CC(=O)O[C@@H]3C2
|
|
360
|
c1ccc(cc1)Cn2c(=O)ccc3c2n[nH]n3
|
|
361
|
c1ccc(c(c1)OCc2c[nH]cn2)Cl
|
|
362
|
Cc1cc([nH]c1/C=C/C(=CC(=N2)c3cc4ccccc4[nH]3)OC)C
|
|
363
|
c1ccc(c(c1)C(=O)[O-])S[C@@H]2CCC(=O)N2
|
|
364
|
CC(=O)O/C=C/c1ccccc1
|
|
365
|
CS(=O)(=O)NCCNC1CNCCN1
|
|
366
|
c1ccc(cc1)SCn2cncn2
|
|
367
|
c1ccc(cc1)C#CCNc2[n-]nnn2
|
|
368
|
Cc1cn2c(n1)-c3ccccc3C2
|
|
369
|
C=CCOc1ccc(cc1)O
|
|
370
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
371
|
c1ccc(cc1)C(=O)c2ccc(=O)oc2
|
|
372
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
373
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
374
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
375
|
|
|
376
|
Cc1ccccc1SCCN2CCOC2=O
|
|
377
|
c1ccc(cc1)Sc2cccs2
|
|
378
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
379
|
COc1ccccc1NC(=O)Cc2[nH]c(=O)[nH]c(=O)[nH+]2
|
|
380
|
CCOC(=O)N1CC[C@@H](C=C1)O
|
|
381
|
c1ccc(cc1)c2c3c(c4ccccc4o3)[nH]n2
|
|
382
|
c1cc(ccc1c2c3ccoc3ccn2)C(=O)N
|
|
383
|
c1ccc(cc1)C2=CC[C@@](C=C2)(C#N)F
|
|
384
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
385
|
COCc1nc(cs1)Cc2nnc(o2)N
|
|
386
|
C(CC#CC#CCCCO)CO
|
|
387
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
388
|
c1cc(sc1)C(=O)C[C@@]2(NCCO2)C(F)(F)F
|
|
389
|
CCS(=O)(=O)c1ccc(c(c1)n2c(c[nH]c2=O)O)OC
|
|
390
|
|
|
391
|
CC(C)(C)OC(=O)N1CC2=C(C1)CC(C2)C(=O)[O-]
|
|
392
|
Cn1ccnc1COc2ccc(cc2)N
|
|
393
|
c1ccc(cc1)NC(=O)/C=c/c(nc3n2ncn3)O
|
|
394
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
395
|
c1ccc(cc1)c2cc(cc(=O)o2)[O-]
|
|
396
|
CC(C)(C)OC(=O)[C@@H]1CN(C(=O)N1)C
|
|
397
|
|
|
398
|
c1ccc(cc1)CNc2c(non2)O
|
|
399
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
400
|
c1cn(cn1)Cc2nnc(n2N)Cn3ccnc3
|
|
401
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
402
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
403
|
c1ccc2c(c1)OC[C@@H](O2)c3nc([nH]n3)N
|
|
404
|
Cc1c(nc2ccccc2n1)c3cscn3
|
|
405
|
c1ccc(cc1)OC2=CCCC=C2
|
|
406
|
|
|
407
|
Cc1c2ccccc2sc1c3cnc(s3)C
|
|
408
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
409
|
c1ccc(cc1)CCn2cnnn2
|
|
410
|
Cc1ccc2c(c1)SC=C(O2)c3ccccc3
|
|
411
|
c1cc(oc1C(=O)n2cnnc2N)Br
|
|
412
|
c1cc(cnc1)[C@@H]2c3cccn3CCN2
|
|
413
|
C#CCSc1nn2cnnc2o1
|
|
414
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
415
|
CC=C(C(=O)N/C1=C/c2ccccn2)C
|
|
416
|
c1cc(cnc1)C2=NCC(=N2)C#N
|
|
417
|
c1cc(sc1)CCNc2ncccn2
|
|
418
|
C1CCC(CC1)CC2=NCOC2=O
|
|
419
|
Cc1c2ccn(c(=O)c2n(n1)C)CC(=O)NC3CC3
|
|
420
|
c1ccc(cc1)COC2=CCCCC2
|
|
421
|
Cc1cc2c(n[nH]c(=O)c2c(=O)[nH]1)Cc3ccco3
|
|
422
|
c1cc(oc1)/C=C/c2ccco2
|
|
423
|
C1CCC(CC1)/C=C/C2NC(NC(N2)N)N
|
|
424
|
|
|
425
|
C([C@@H]1[C@H]([C@@H]([C@@H](O1)C2NC(ON2)C(=O)N)O)O)O
|
|
426
|
c1ccc2c(c1)CCN(C2)c3c(non3)[O-]
|
|
427
|
CC1(C(=O)N=C(N1)Nc2nc3ccccc3o2)C
|
|
428
|
Cc1ccc(cc1)Nc2[nH+]c(=O)cc(s2)C
|
|
429
|
CC(C)c1c2c(n[nH]1)-c3ccccc3C2
|
|
430
|
CN(c1ccccc1)c2ccc(s2)OC
|
|
431
|
CC(=O)O[C@@H]1CC([C@H](O1)OCc2ccccc2)(F)F
|
|
432
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
433
|
Cc1ccc(cc1)NC2=CC(=O)NC2
|
|
434
|
c1ccc(cc1)/[NH+]=c/2
c(ss2)N
|
|
435
|
c1ccc(cc1)OC(=O)Nc2nccs2
|
|
436
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
437
|
c1ccc2c(c1)c(cs2)c3cnc(cn3)N
|
|
438
|
c1ccc(c(c1)C(=O)O[C@@H]2Cn3c(nnn3)SC2)Cl
|
|
439
|
c1ccc(cc1)CNc2ncco2
|
|
440
|
c1ccc(cc1)C(=O)Nc2cccs2
|
|
441
|
c1cc(ccc1c2nc(cs2)SCC(=O)[O-])Cl
|
|
442
|
C1CCC(CC1)CC2CCC[NH]2
|
|
443
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
444
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
445
|
CC1=CCCC[C@@H]1Oc2ccccc2
|
|
446
|
Cc1ccc2c(cc(=O)oc2c1)CSc3[nH]ncn3
|
|
447
|
c1ccc(cc1)CS(=O)(=O)n2ccnc2
|
|
448
|
c1cc(cnc1)C2=NC(=O)C3(N2)CCCC3
|
|
449
|
Cn1cccc1c2csc(n2)c3ccco3
|
|
450
|
c1cc2cn[nH]c2cc1C3=CCOCC3
|
|
451
|
C1CCC(CC1)[C@@H]2CC(=O)N3CNNC3S2
|
|
452
|
c1ccc(cc1)C2=NCc3cccc4c3c2ccc4
|
|
453
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
454
|
c1ccc(cc1)CNc2cnoc2
|
|
455
|
|
|
456
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
457
|
Cc1c(non1)OCCOc2c(non2)C
|
|
458
|
CCn1cc(cn1)[C@@H]2C[C@@H](N(S(=O)(=O)N2)C)C(=O)[O-]
|
|
459
|
C1CCC(CC1)[C@@H]2C[C@@H]2NC3=NCCO3
|
|
460
|
c1ccc2c(c1)[nH]c(=O)c(n2)n3ccnc3
|
|
461
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
462
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
463
|
CCOC1NC(=O)N(S1)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
464
|
c1ccnc(c1)CCSc2nncs2
|
|
465
|
COC(=O)N1CCc2c(s[nH]c2=O)C1
|
|
466
|
CNC1C(=O)NC(SN1)SC2NC(=O)C(NS2)NC
|
|
467
|
CCC/C=C/C2=C([C@@H]([C@@H](CC2)O)O)C(=O)O1
|
|
468
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
469
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
470
|
c1ccc2c(c1)NC(N2)[C@@H]3CCC=CO3
|
|
471
|
COC(=O)CC1=Nc2nncn2C1=O
|
|
472
|
C1CC2N(C1)CC3CC4C(CC3N=C2)OCO4
|
|
473
|
CCOC(=O)C=NN=C/C1=N/NSC2CCC(CC2)C
|
|
474
|
C1CCC(CC1)C2=N[C@@H]3C4CCCCC4[C@H]2O3
|
|
475
|
C1CCC(CC1)NC2C(C(=O)SS2)CL
|
|
476
|
c1cc2c(cc1N)c3c(o2)CCC3
|
|
477
|
C1CCC(CC1)C(=O)N[C@@H]2C(=O)NN=C2[O-]
|
|
478
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
479
|
c1ccc(cc1)NC2=CCN3C=CC=CC3=C2
|
|
480
|
C[C@@H]1Cc2c(c(=O)[nH]c(n2)N)N1Cc3ccncc3
|
|
481
|
c1ccc(cc1)S[C@@H]2[C@@H]3C=CC[C@@H]3C2=O
|
|
482
|
c1ccn(c1)Nc2ccncc2
|
|
483
|
Cc1conc1n2c(=O)nc3ccccc3n2
|
|
484
|
C/C=C/[C@@H]1OC[C@H](O1)c2ccccc2
|
|
485
|
c1ccc(cc1)C(=O)Nc2nc(ns2)[O-]
|
|
486
|
C[C@H]1[C@H]2C(=NC1=O)[N-]c3ccccc3S2
|
|
487
|
c1ccc(cc1)c2nnc3n2CCCC3
|
|
488
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
489
|
c1ccc(cc1)/C=C/c2nnc(o2)N
|
|
490
|
Cc1c(cco1)/C=C/C=C(C)C
|
|
491
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
492
|
c1ccnc(c1)COC2=C(C(=O)O[C@@H]2[C@@H](CO)O)[O-]
|
|
493
|
c1ccc(cc1)CNn2cnnn2
|
|
494
|
CC1=CC(=O)O[C@@H]1Cc2ccncc2
|
|
495
|
C(C(F)(F)F)OSOCC(F)(F)F
|
|
496
|
Cc1cnc(o1)c2ccccc2
|
|
497
|
c1[nH]c(c(n1)C(=O)N)Sc2c(nns2)C(=O)N
|
|
498
|
c1cc2c(cc1C#N)CCCC=C2
|
|
499
|
c1cc(oc1)CNn2cnnc2
|
|
500
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
501
|
c1cc2c(cc1Cn3cnnc3)OCO2
|
|
502
|
CN(C)c1nnc(o1)[C@H]2C=N[NH+]=C2N
|
|
503
|
Cc1[nH]nc(n1)c2ccccc2
|
|
504
|
c1ccc(cc1)S(=O)(=O)N2CN3CCN(C3)C2
|
|
505
|
c1cc(ccc1F)SN2CCOCC2
|
|
506
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
507
|
COC(=O)N1C[C@H]2COC(=O)[C@H]2C1
|
|
508
|
Cc1nc(no1)Cn2cnc(n2)C(=O)N
|
|
509
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
510
|
c1cc2c(cc1I)C3=C(C2)C(=O)NCC3
|
|
511
|
CCSc1nnc(o1)c2ccc[nH]2
|
|
512
|
c1cnn2c1N[C@H](CC2=O)CO
|
|
513
|
c1ccc2c(c1)SC(=Cc3ccco3)S2
|
|
514
|
Cc1ccc(cc1)OCn2cc(cn2)N
|
|
515
|
c1ccc(cc1)C2OCc3c(non3)CO2
|
|
516
|
Cc1cnc(o1)COc2ccccc2
|
|
517
|
CCOC(=O)Cn1c(noc1=O)Cc2ccccc2
|
|
518
|
c1ccc2c(c1)c(c[nH]2)c3c[nH]nc3
|
|
519
|
CCOc1cc(no1)Oc2ccccc2
|
|
520
|
c1ccc(cc1)c2c[nH]c3c2c(ncn3)N
|
|
521
|
C/N=c/1scc(s1)C23CC4CC(C2)CC(C4)C3
|
|
522
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
523
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
524
|
c1cc(oc1)c2nnc(o2)c3c(non3)N
|
|
525
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)C(=O)O2
|
|
526
|
c1ccc2c(c1)C=C[C@H]3N2C[C@@H]4[C@@H]3[C@H]5CO[C@@H](C4=O)O5
|
|
527
|
CC1(Nc2cc(=C(C#N)C#N)ccc2=N1)C
|
|
528
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
529
|
Cc1cc([nH]n1)OCCC#N
|
|
530
|
CCOc1cc(c(o1)C)c2ccccc2
|
|
531
|
C1CCC(CC1)n2c(=O)c(n[nH]2)C#N
|
|
532
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
533
|
C#Cc1cc2ccccc2nc1
|
|
534
|
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
|
|
535
|
c1c2n(cn1)[C@@H](CCC2)CCCC#N
|
|
536
|
c1ccc(cc1)[C@H]2[C@H]([C@H]3[C@@H](O2)CC(=O)O3)O
|
|
537
|
c1cc(ccc1SCCCn2ccnc2)Cl
|
|
538
|
c1ccnc(c1)/N=C/C[C@@H](C(F)(F)F)O
|
|
539
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
540
|
CC1CCC(CC1)[C@@H]2C(=N2)C(=O)OC
|
|
541
|
Cc1cc(=O)n2c(c1c3ccccc3)SC[C@@H]2C(=O)[O-]
|
|
542
|
c1ccc(cc1)c2ncc(o2)C3=NCCO3
|
|
543
|
Cc1cn(cn1)c2cccnc2
|
|
544
|
COC1=C2CCCC(=C2OC1=O)C3CCCCC3
|
|
545
|
Cc1nc2cc(ccc2s1)n3c(c[nH]c3=O)O
|
|
546
|
CC1(C=CN(C=C1)C(=O)Nc2ccccc2)C
|
|
547
|
C1CCC(CC1)C2C(C3CNCCC3O2)C#N
|
|
548
|
Cc1c(sc(n1)NC(=O)C)c2nc(no2)c3ccccc3
|
|
549
|
|
|
550
|
Cc1cc2c(c(n[nH]c2=O)N)c(=O)[nH]1
|
|
551
|
C(Oc1c(non1)N)Oc2c(non2)N
|
|
552
|
CCC1(C(=O)NC(=Nc2cccc(c2)OC)NC1=O)CC
|
|
553
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
554
|
C1CN(C2C1C(NNC2)N)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
555
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
556
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
557
|
c1cnc(nc1)SCc2cc(=O)c(co2)O
|
|
558
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
559
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
560
|
|
|
561
|
c1ccc2c(c1)CC(=C2)N3CCCCC3
|
|
562
|
c1ccc(cc1)C2=NCCNC(=O)C2
|
|
563
|
|
|
564
|
CCO/C(=C/C1=NC(=O)[C@@](C1)(C(F)(F)F)[O-])/[O-]
|
|
565
|
c1ccc(cc1)Oc2ccsc2
|
|
566
|
c1cc(oc1)c2nn(c(=O)o2)CCC#N
|
|
567
|
Cc1c(c(on1)C)Cc2ccc(s2)C(=O)[O-]
|
|
568
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
569
|
c1ccc(cc1)OC(=O)Nc2csc(n2)Cc3ccsc3
|
|
570
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
571
|
CCOC(=O)c1c(c2c([nH]1)cccc2F)N
|
|
572
|
Cn1c(=O)c2c(c(n[nH]2)c3ccccc3)[nH]c1=O
|
|
573
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
574
|
CCC1NC(ON1)COC(=O)C2CC[NH]N2
|
|
575
|
C1CCO[C@@H](C1)OC2=CCC=CC2
|
|
576
|
C1C[C@@H](OC1)COCCC#N
|
|
577
|
Cc1cc(oc1)c2ccccc2
|
|
578
|
CCOC(=O)[C@@H]1[C@@H](N=C(N=C1C)O)/C=C/c2ccccc2
|
|
579
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
580
|
Cc1ccc(cc1)c2ccc[nH]2
|
|
581
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
582
|
c1ccc(cc1)n2c3c(cn2)C(=O)CC3
|
|
583
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
584
|
Cc1nc(co1)C#Cc2cccnc2
|
|
585
|
CCOC(=O)C1CC(=O)OC(=O)[NH]1
|
|
586
|
C1C(C2C([NH]1)C(=O)[NH]CN2)[C@@H]3[C@H]([C@@H]([C@@H](O3)CO)O)O
|
|
587
|
Cc1c(c2nnc3c(=O)[nH]oc3n2n1)c4ccccc4
|
|
588
|
C1CCC(CC1)N2CC(=C(C2=O)[O-])C(=O)N
|
|
589
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
590
|
Cn1c(cc(=O)n(c1=O)C)Cn2ccccc2=O
|
|
591
|
CC1(COC(=N1)/C=C/c2ccccc2)C
|
|
592
|
CCn1c2ccncc2nc1C3=CCNC=C3
|
|
593
|
c1cc2c(cc1Cl)-c3c(c[nH]n3)CS2
|
|
594
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
595
|
|
|
596
|
CC1CC(C/C(=[NH+]/C2CCCCC2)/O1)O
|
|
597
|
C1COCc2c1nc(s2)CC#N
|
|
598
|
Cc1cc2n(c3ccccc3n2c1)C
|
|
599
|
CC1=NC(=C[C@@H](N1)c2ccccc2)C(F)(F)F
|
|
600
|
Cc1ccc(o1)[C@@H]2C[C@@H](n3c(ccn3)N2)C(F)(F)F
|
|
601
|
c1cn(cn1)Cc2cnc(s2)Cl
|
|
602
|
c1ccc(cc1)Oc2ccccc2
|
|
603
|
c1ccc(cc1)c2nnc(o2)Cn3cncn3
|
|
604
|
c1ccc(cc1)S(=O)(=O)[N-]c2cccnc2
|
|
605
|
c1ncn(n1)NCNn2cncn2
|
|
606
|
Cn1ccnc1NCc2ccco2
|
|
607
|
c1ccc(cc1)Cc2ccc(nn2)[O-]
|
|
608
|
c1cc(oc1)C(=O)c2cccs2
|
|
609
|
Cc1ccc(cc1)C(=O)Cc2nnc(s2)C
|
|
610
|
c1cc2c(cc1c3cc[nH]n3)CCO2
|
|
611
|
CC1=NN(C(=O)C1)C(=O)c2ccc(cc2)O
|
|
612
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
613
|
Cn1c2c(cn1)nc([nH]2)c3ccccc3
|
|
614
|
c1ccc(cc1)Nc2nc(cnn2)[O-]
|
|
615
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
616
|
c1ccc2c(c1)nc(o2)c3c(non3)N
|
|
617
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
618
|
CCOC(=O)c1c(onn1)C
|
|
619
|
Cc1nnnn1c2cc3c(s2)CCCC3
|
|
620
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
621
|
c1ccc(cc1)Sc2ccccn2
|
|
622
|
CC(=O)NC1=N[C@@H](CC(=O)N1)c2ccc(cc2)OC
|
|
623
|
Cc1ccccc1CN[C@@H]2COC[C@H]2c3ccc(cc3)F
|
|
624
|
c1ccc2c(c1)nnn2Cc3[n-]nnn3
|
|
625
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
626
|
|
|
627
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
628
|
Cc1c(sc(n1)Cc2nc(cs2)O)C
|
|
629
|
c1ccc(cc1)C2=CC(=O)OC2
|
|
630
|
CCOC(=O)N=[S@@](=O)(c1ccccc1)N
|
|
631
|
Cc1cnc(o1)Cn2cnc3c2cccc3
|
|
632
|
C=CC1(Cc2ccccc2C1)c3c[nH]cn3
|
|
633
|
CC1(C=CN(C(=O)O1)c2ccccc2)C
|
|
634
|
Cc1ccc(cc1)/N=C/Cc2c(nnc(n2)SCC=C)C
|
|
635
|
c1ccc2c(c1)-c3c(cc(c(=O)o3)C(=O)N)CO2
|
|
636
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
637
|
c1ccc2c(c1)OCc3cc(ccc3O2)N
|
|
638
|
CCOC(=O)C1CC(=O)SS1
|
|
639
|
Cc1c2c(c(nn1)[O-])nc([nH]2)c3ccccc3
|
|
640
|
C1CCC(CC1)CN2NC(NN2)C(=O)[O-]
|
|
641
|
c1ccc2c(c1)CCC(=C2)n3ccnc3
|
|
642
|
Cn1nc(nn1)[C@@H](CNCc2cccs2)O
|
|
643
|
CCOC(=O)[C@@H]1C=C1C(C)(C)O
|
|
644
|
C1C(C([NH]N1)C(=O)N)[C@@H]2[C@@H](CCO2)O
|
|
645
|
C1CCC(CC1)SC2[N-]NNN2
|
|
646
|
Cn1cc(cn1)c2ccncc2
|
|
647
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
648
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
649
|
c1ccc(cc1)c2c3c(c(nn2)[O-])nc[nH]3
|
|
650
|
c1ccc(cc1)[C@@H]2CCC(=O)O2
|
|
651
|
C#CCCO[C@@H]1CCCCO1
|
|
652
|
CC[C@@H](c1ccoc1)Sc2ccccc2
|
|
653
|
c1cnccc1c2cnc3cc(nn3c2)O
|
|
654
|
c1ccc2c(c1)c3c(c(no3)N)c(=O)[nH]2
|
|
655
|
CCC/C=C/COC(=O)N(C)C
|
|
656
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
657
|
Cc1ccc(n1NS(=O)(=O)c2ccccc2)C
|
|
658
|
CC#CCC/C=C(/C)CCO
|
|
659
|
CCCc1nc([nH]n1)c2ccccc2O
|
|
660
|
C1CCC(CC1)OCC2CN[NH]N2
|
|
661
|
Cc1cc(co1)C(=O)n2ccnc2
|
|
662
|
C=CCOCCOCCC#N
|
|
663
|
c1cc2c3ccnn3nnc2cc1Cl
|
|
664
|
CN(C)[C@@H](C/C=C/CC=C)C#N
|
|
665
|
c1cc(cnc1)c2nc3cnccc3nn2
|
|
666
|
CN(C)C1=NS(=O)(=O)N=C(O1)N(C)c2ccccc2
|
|
667
|
CCOC1CCCC2N1CNN2
|
|
668
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
669
|
c1ccc(cc1)C2=NC(=O)CCC2
|
|
670
|
CC(C)(C)OC(=O)NCC#C
|
|
671
|
C1CCC(CC1)C2C(C(=O)C2=O)/C=C/NC3CCCCC3
|
|
672
|
c1ccc2c(c1)c3cc(ccc3o2)S(=O)(=O)[O-]
|
|
673
|
CCOC(=O)c1c(n2cnnc2s1)C
|
|
674
|
c1ccc2c(c1)N=CC=C(S2)c3cccnc3
|
|
675
|
c1cc(cnc1)[C@@]2(CCC=C2)O
|
|
676
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
677
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
678
|
c1ccc(cc1)CCc2csnn2
|
|
679
|
C[C@@]1(COC(=O)N1)[C@@H]2CCc3cc(ccc3C2)O
|
|
680
|
Cc1c(n(ccc1=O)CCc2c[nH]cn2)C
|
|
681
|
CC(=O)c1c(n[n-]n1)NC(=O)c2ccccc2
|
|
682
|
c1ccc(c(c1)C(=O)C2=C[C@H](C(=O)N=C2)C#N)O
|
|
683
|
c1cc(ccc1C2=NC(=CC2)c3ccncc3)Cl
|
|
684
|
c1ccc2c(c1)cccc2C[C@@H]3NCC=N3
|
|
685
|
C1C[C@@H]2COC(=C3C=CC(C=C3)(C#N)C#N)N2C1
|
|
686
|
Cc1c(non1)NCn2cnnn2
|
|
687
|
c1ccc(cc1)N2C[C@@H](CC2=O)c3nnc(o3)N
|
|
688
|
c1cc(oc1)CNC(=O)n2ccnc2
|
|
689
|
c1cc(ccc1NC(=O)Cc2[n-]nnn2)F
|
|
690
|
Cc1ncc-2n1Cc3c2cccc3
|
|
691
|
c1[nH]c(nn1)/N=C(/C=C(/C(F)(F)F)Nc2[nH]ncn2)[O-]
|
|
692
|
CCOC(=O)C1CCN2C1O[C@@H](CC2(C)C)C
|
|
693
|
c1ccc(cc1)CN2CCNS2(=O)=O
|
|
694
|
CN1C=NC2C(NCN2[C@@H]3CC[C@@H](O3)CO)[C@@H]1O
|
|
695
|
C1CC(OC1)CNC2=NCCO2
|
|
696
|
c1ccc(cc1)CN2C=CCCC2=O
|
|
697
|
c1ccc(cc1)c2cnc3n2CCOC3
|
|
698
|
c1ccc2c(c1)CCc3c(cc(cc3O2)N)N
|
|
699
|
Cn1c(c(nc1Sc2cccs2)C#N)C#N
|
|
700
|
C1CN(C(=O)[NH]C1=O)/C=C/[C@@H]([C@@H](CO)O)O
|
|
701
|
c1cc(cnc1)[C@H]2[NH+]=c3c(=[N+]2[O-])cccn3
|
|
702
|
c1ccc2c(c1)[nH]c(n2)Nn3cnnc3
|
|
703
|
c1cc2c(cc1O)occ(c2=O)c3cnc[nH]3
|
|
704
|
Cn1cc(cn1)NCc2ccco2
|
|
705
|
c1ccc(cc1)CCNC(=O)Cc2[n-]nnn2
|
|
706
|
COCc1cn(nn1)[C@H]2CO[C@H]3[C@@H]2OC[C@H]3O
|
|
707
|
CCOC(=O)C1=C(NC(=O)NC1)Cn2c(=O)c3ccccc3nn2
|
|
708
|
c1ccc2c(c1)cnn(c2=O)Cc3ccon3
|
|
709
|
CCOC1=N[C@@H]2CCCC[C@@H]2N1
|
|
710
|
COC(=O)C#CC1=CCCCC1
|
|
711
|
CNC1C(=O)NC(SN1)N2CNC3C2CCCC3
|
|
712
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
713
|
c1ccc(cc1)c2csc(n2)C(C#N)C#N
|
|
714
|
c1ccc(cc1)CC2=C(C=NC(=O)C2)C(=O)N
|
|
715
|
Cn1ccc(n1)Nc2c3cc(ccc3ncn2)Oc4ccccn4
|
|
716
|
CC(=O)N1CCC(=CC1)c2ccc(cc2)O
|
|
717
|
c1ccc(cc1)/C=c/2c3cccc4c3c(o2)ccc4
|
|
718
|
C1CCC(CC1)C2C3C(NO2)CCC3
|
|
719
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
720
|
c1ccc2c(c1)cc([nH]2)c3nnco3
|
|
721
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
722
|
CCOC(=O)N1CC2CCOC2C1
|
|
723
|
Cc1nnc(s1)c2cc3ccccc3n2C
|
|
724
|
c1cc(ccc1S(=O)(=O)N2C[C@@H]3C[C@@H]4C=C[C@@]3(C2)O4)Cl
|
|
725
|
CCOC(=O)N1CCNC(=O)C1
|
|
726
|
[H]/N=c/n(ccs1)Cc2ccccc2
|
|
727
|
CC1CC(ON1)C(=O)C2CCCCC2
|
|
728
|
c1cc(ccc1[C@@H]2CCC=C2)O
|
|
729
|
CCOC(=O)/[NH+]=c/cc(cc(o1)O)O
|
|
730
|
CC(=O)OCC1C(C(=O)C1=O)C2CCCCC2
|
|
731
|
c1cc(ccc1N)Oc2nccs2
|
|
732
|
Cc1cc(cc([o+]1)C)/C=C/c2ccccc2
|
|
733
|
C=CC#CCN1CCOCC1
|
|
734
|
CCNC(=O)[C@@H](C)n1cnnc1C#N
|
|
735
|
c1ccnc(c1)/C=C/c2ccco2
|
|
736
|
Cc1c2c(cc([o+]1)c3ccccc3)CCC2
|
|
737
|
COCSc1ccccc1
|
|
738
|
CCc1cccc([o+]1)c2ccccc2
|
|
739
|
Cc1ccc(o1)SCc2ccco2
|
|
740
|
C[C@@H]1CNC(=O)C2=C1N=C(C2)c3ccncc3
|
|
741
|
c1cc(cc(c1)N)c2cocn2
|
|
742
|
CC1=CC(=C(O[C@@H]1c2cccnc2)C)C(=O)OC
|
|
743
|
c1ccc2c(c1)CC3=C(C=C2)C(=O)OC3
|
|
744
|
|
|
745
|
Cc1coc(=O)n1c2ccc(c(c2)Cl)Cl
|
|
746
|
c1ccc2c(c1)nc(o2)c3c[nH]nc3
|
|
747
|
c1ccc(cc1)S[C@@H]2c3ccccc3C(=O)O2
|
|
748
|
CC1=NC(N=C(N1Cc2ccco2)C)(C(F)(F)F)C(F)(F)F
|
|
749
|
c1ccc2c(c1)c(cs2)Cc3[n-]nnn3
|
|
750
|
Cc1c(nc2ccccc2n1)c3c(c(ns3)N)C#N
|
|
751
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
752
|
CC1=C(CSN(C1)C2CCCCC2)C
|
|
753
|
CNC(=O)n1c(ccn1)c2ccc(o2)c3ccc(cc3F)F
|
|
754
|
CC1=NC(=NC([N-]1)(C(F)(F)F)C(F)(F)F)c2ccccc2
|
|
755
|
CC(C)C(=C=C(C)OC(=O)C)C
|
|
756
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
757
|
c1ccc(cc1)c2c3c(c(ncn3)[O-])sn2
|
|
758
|
c1ccc(cc1)C2=CCC(=O)O2
|
|
759
|
Cc1c(=O)n2c(nn1)n(cn2)Cc3ccccc3
|
|
760
|
c1cn(cn1)S(=O)(=O)OCC(Cl)(Cl)Cl
|
|
761
|
CN(c1cc(ccn1)C(F)(F)F)n2cccc2
|
|
762
|
CNC=CC=C/C1=CS(=O)(=O)c2ccccc2
|
|
763
|
CCOC(=O)[C@@H]1CCCN=C1
|
|
764
|
|
|
765
|
CCN(CCc1nc(nc(n1)N)N)c2ccccc2
|
|
766
|
C1CC(CCC=C1)CCC(=O)N
|
|
767
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
768
|
|
|
769
|
CCC(=O)C#Cc1ccccc1
|
|
770
|
c1ccc(cc1)C(=O)NCc2nc(on2)Cn3ccnc3
|
|
771
|
Cc1csc(n1)N2CCc3c2cccc3
|
|
772
|
c1ccc(cc1)Cn2c(=O)ccs2
|
|
773
|
Cc1nc(no1)COc2ccc(cc2)N
|
|
774
|
C/C=C(/[C@H]1C(=NC(=NC1=O)O)O)Nc2ccc(cc2)F
|
|
775
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
776
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
777
|
COC(=O)Cc1cccnn1
|
|
778
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
779
|
c1ccc(cc1)n2cnc3c2cncn3
|
|
780
|
c1ccc(cc1)Cn2cncn2
|
|
781
|
C1CCC2C(C1)C[C@@H]3[C@@H]2C4CCCCC4N3
|
|
782
|
CN(CCn1cccn1)c2ccccc2
|
|
783
|
Cc1ccc(cc1)/N=c/2c3c[nH]nc3[nH]cn2
|
|
784
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
785
|
c1ccc(cc1)OCc2nnco2
|
|
786
|
CCCc1c(c(n(n1)C)[O-])C(=O)c2cc3ccccc3s2
|
|
787
|
c1c2c(n[nH]1)[C@H]3[C@@H]([C@@H](C2=O)CC3=O)NCCC#N
|
|
788
|
c1cc(oc1)/C=C/2CCC(=O)O2
|
|
789
|
c1ccc(cc1)Oc2ccc(nn2)[O-]
|
|
790
|
c1ccnc(c1)SCc2ccco2
|
|
791
|
C1CCC(CC1)OCCC#N
|
|
792
|
c1ccc(cc1)Sc2nccs2
|
|
793
|
CC(=O)OCc1ccccc1
|
|
794
|
c1ccc(cc1)C2=NCC(=O)O2
|
|
795
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
796
|
c1ccc2c(c1)nnn2CNC(=O)c3ccco3
|
|
797
|
c1ccc(cc1)N=c2c(=O)c3ccccc3c2=O
|
|
798
|
Cc1cc(cs1)C2=CCCCC2
|
|
799
|
c1cn(cn1)[C@@H]2CC([C@@H]3OC[C@H]2O3)(O)O
|
|
800
|
Cc1cc(n(n1)CNc2nccs2)C
|
|
801
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
802
|
C#CCn1cnc2c1cccc2
|
|
803
|
c1ccc(cc1)/C=C/[C@@H](O)S(=O)(=O)[O-]
|
|
804
|
c1cc(ccc1Cc2nc(on2)N)F
|
|
805
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
806
|
CCOC(=O)N=c1oc2ccccc2o1
|
|
807
|
C=C1c2ccccc2C=Cc3c1cccc3
|
|
808
|
Cc1cc(c(s1)C)[C@@H]2C=CN=CN2
|
|
809
|
CCOC(=O)c1cccnn1
|
|
810
|
Cn1c(=O)c2c(n(c1=O)C)O[C@@H](CC2)c3ccccc3
|
|
811
|
Cn1c(c(cn1)C#N)n2cccc2
|
|
812
|
|
|
813
|
Cc1ccc(o1)c2cnnc(n2)N
|
|
814
|
c1cc(oc1)CSc2nccs2
|
|
815
|
c1ccc(cc1)n2nc3c(n2)C(=O)CCC3
|
|
816
|
c1ccc2c(c1)[nH]c(n2)NC3=NC(=O)C(=N3)[O-]
|
|
817
|
c1ccc(cc1)n2c3c(cn2)CNCC3
|
|
818
|
Cc1ccc(cc1)C#Cc2ccco2
|
|
819
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
820
|
Cc1[nH]c(=O)cc(n1)Cn2cccn2
|
|
821
|
c1c(cn[nH]c1=O)N2CCCC2
|
|
822
|
c1ccn2cc(nc2c1)CC#N
|
|
823
|
CCCC[C@@H]1N=C2C(=NC=N2)c3n1nc(n3)c4cccnc4
|
|
824
|
Cc1c(n(c(c1S(=O)(=O)C)N)Cc2ccccc2)C
|
|
825
|
Cc1cc2n(c1)-c3ccccc3C2=O
|
|
826
|
c1ccc2c(c1)C(=O)/C(=N
3cnnc3)/N2
|
|
827
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
828
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
829
|
C1C(C(C2C(C1F)N[NH]N2)N)F
|
|
830
|
C1CC2N(C1)[C@@H](OC2=O)C3CCCO3
|
|
831
|
c1cc(c(cc1Cl)c2cc([nH]n2)C(F)(F)F)O
|
|
832
|
Cc1nnc(o1)CSc2nccn2C
|
|
833
|
CO[C@@H]1C=C[C@@H]2[C@@H](O1)CO[C@@H](O2)c3ccccc3
|
|
834
|
c1ccc(cc1)c2cnccn2
|
|
835
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
836
|
CC(=O)c1c(cc(cn1)C(F)(F)F)n2cncn2
|
|
837
|
c1cc2c(c[nH]c2nc1)C3=CCCCC3
|
|
838
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
839
|
C[C@@H]1CSc2c1ncc(c2)C(=O)OC
|
|
840
|
C=CCNC1CCNC(N1)N
|
|
841
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
842
|
c1ccc(cc1)c2ncc(o2)c3ncco3
|
|
843
|
c1cc(oc1)CSc2nnc(c(=O)n2N)Nc3nccs3
|
|
844
|
Cn1c(c(sc1=O)/C=C/2C=Nc3c2cccc3)O
|
|
845
|
c1ccc(cc1)/C=C/c2csnn2
|
|
846
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
847
|
CC1(NC(=O)C(=N1)c2ccccc2)C
|
|
848
|
c1ccc(cc1)C2=CCNn3cnnc3S2
|
|
849
|
CC1(OC(=CC(=O)O1)c2ccccc2)C
|
|
850
|
c1ccc(cc1)S(=O)(=O)N2C=CC=CC=C2
|
|
851
|
c1ccc(cc1)n2c3ccsc3cn2
|
|
852
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
853
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
854
|
c1ccc(cc1)C(=O)c2ncco2
|
|
855
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
856
|
C1CCC2C(C1)C(=O)OCCS2
|
|
857
|
c1[nH]c(=O)c2c(n1)CCN(C2)[C@@H]3CCOC3=O
|
|
858
|
CN1c2ccccc2C3(C1=O)[NH+]=c4ccccc4=[NH+]3
|
|
859
|
CC1(CO/C(=Nc2ccc(cc2)Cl)/N1)C
|
|
860
|
c1ccc(cc1)C(=O)[C@@H]2C[C@@H]([C@@H]3N2C=CC=C3)C#N
|
|
861
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
862
|
COC(=O)c1cc-2c(s1)C(=O)c3c2cccc3
|
|
863
|
Cc1c(nn(n1)C(=O)c2ccccc2)C
|
|
864
|
c1cc(oc1)c2csc(n2)CC#N
|
|
865
|
CCCC(=O)OCOC(=O)/C=C(C)/N
|
|
866
|
C1CCC-2C(C1)CC3C2NCNC3C4CCCO4
|
|
867
|
CC(C)C(=O)CC1=CC(=O)OC(O1)(C)C
|
|
868
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
869
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
870
|
c1ccc(cc1)N2CCN3[C@@H]2c4ccccc4C3=O
|
|
871
|
c1ccc2c(c1)OC[C@@H](O2)c3csc4c3c(=O)[nH]cn4
|
|
872
|
CN(C)C(=O)N=c1[nH]c2ccccc2[nH]1
|
|
873
|
CC1=NC[C@@H](O1)c2ccccc2
|
|
874
|
c1cnc(nc1)N2CCc3c(ccs3)C2
|
|
875
|
Cc1nc(cs1)C#C[C@@H]2C=CC=NC2=O
|
|
876
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
877
|
Cc1cc-2c(s1)CCCCc3n2nnn3
|
|
878
|
Cc1c2c(on1)C=C(CC2)c3ccccc3
|
|
879
|
c1ccc(cc1)C2=Nc3c(non3)NC=C2
|
|
880
|
CCn1cc(cn1)c2cncn2CCCC(C)(C)CO
|
|
881
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
882
|
C[C@@H]1COC(=N1)c2cccs2
|
|
883
|
CCOC(=O)[C@@H](CC#N)C#N
|
|
884
|
Cc1cccc(c1)NC(=O)n2cccn2
|
|
885
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
886
|
Cc1cc(sn1)NC(=O)c2ccco2
|
|
887
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
888
|
c1cc(cnc1)[C@@H]2Nc3c(nc[nH]3)C(=O)N2
|
|
889
|
Cc1c(snn1)c2nnc(o2)C3CCCCC3
|
|
890
|
CC(C)(C)OC(=O)N(C)c1ccnc2c1cc[nH]2
|
|
891
|
c1cc(oc1)CNc2nccs2
|
|
892
|
c1ccc(cc1)[C@@H]2OCc3c(ccc(n3)CO)O2
|
|
893
|
CC(=O)OC/C=C/OC(=O)C
|
|
894
|
c1cc2c(nc3ccsc3n2c1)N4CCC=CC4
|
|
895
|
Cn1cnn2c1nc(c2)c3ccccc3
|
|
896
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
897
|
CC(C)(C)c1c2c(no1)-c3ccccc3C2=O
|
|
898
|
c1ccc(cc1)C2=Nc3ccccc3C(=O)OC2
|
|
899
|
c1ccc2c(c1)CCNC(=O)C(=O)N2
|
|
900
|
c1ccc2c(c1)C[C@@H](CO2)/C(=N/c3[nH]ncn3)/[O-]
|
|
901
|
[H]/N=c/n2c(c(cnc2nn1c3ccccc3)O)C
|
|
902
|
c1ccc(cc1)n2ccc(=O)c(n2)c3cc[nH]n3
|
|
903
|
C1CCC(CC1)[C@@H]2CC(=O)OC2
|
|
904
|
CC1(CC(=CNC(=O)C1)c2ccccc2)C
|
|
905
|
Cc1c(c2nnn(n2n1)CCO)c3ccccc3
|
|
906
|
|
|
907
|
c1ccc(cc1)NC(=O)[C@@H]2CC(=Nc3n2cnn3)O
|
|
908
|
c1ccc(cc1)C#CC(=O)c2cccs2
|
|
909
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
910
|
C[C@@]12C[C@@H](C(=O)C3C1CCCC3)OC2=O
|
|
911
|
C1C2CC3CC1CC(C2)(C3)c4nsc(=O)o4
|
|
912
|
CC1(C(=N1)N(C)C2CCCCC2)C
|
|
913
|
C/C=C/C=C/C1=CC(=O)CCN1
|
|
914
|
Cc1ccccc1n2n(o2)c3ccccc3C
|
|
915
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
916
|
Cc1n[nH]/c(=NC(=O)CCC(=O)NC2CCCCC2)/s1
|
|
917
|
CCOC(=O)c1nc2c(s1)NCCCC2
|
|
918
|
c1ccc2c(c1)ncn2Cn3ccc(n3)C(=O)[O-]
|
|
919
|
C[C@@H]1[C@@H](OC2CCCCC2O1)NC3=NCCO3
|
|
920
|
COC(=O)c1cc2c(cccn2)oc1=O
|
|
921
|
Cc1cnc(o1)CSc2ccccc2
|
|
922
|
CCCCC#C[C@@H]1CCCO1
|
|
923
|
c1ccc2c(c1)Cc3ccccc3S2
|
|
924
|
Cc1ccc(n1c2ccc3c(c2)nns3)C
|
|
925
|
Cc1cc(no1)CSc2nncs2
|
|
926
|
CCC(=O)N/C=C/c1ccccc1
|
|
927
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
928
|
Cc1cc(no1)/N=C(C)/Cc2nc(sn2)NC[C@H]3CCCO3
|
|
929
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
930
|
c1ccc2=c3ccccc3=c2c1
|
|
931
|
c1ccc(cc1)NC2=Nc3ccccc3CCC2
|
|
932
|
Cc1cc(n(n1)C(=O)[C@@H]2[C@@H]3CC[C@H]([C@@H]2C(=O)[O-])O3)C
|
|
933
|
C[C@@]1(C[C@@H](NC2N1NCN2)C3CCCCC3O)O
|
|
934
|
CC(=O)n1cc(cc1c2ccccc2)OC(=O)C
|
|
935
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
936
|
Cn1c(nnn1)Sc2ccncc2S(=O)(=O)N
|
|
937
|
c1ccc(cc1)Nc2nncs2
|
|
938
|
C[C@H]1OC[C@@H]([C@@H](O1)/C=C/C(=C/C(=O)OC)/C)O
|
|
939
|
c1cc(sc1)C(=O)c2[nH]ccn2
|
|
940
|
CCCCN/C(=CC1=NCCC1)/C
|
|
941
|
c1ccc2c(c1)CN(C(=C2)N)C3CCCCC3
|
|
942
|
c1ccc(cc1)Cn2cccn2
|
|
943
|
CN(C)/C=C/c2ccccc2N=C1OC
|
|
944
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
945
|
c1ccc2c(c1)c3c(c(=O)o2)S[C@@H](C3)C(F)(F)F
|
|
946
|
c1c2c(c(s1)[C@@H]3[C@H]([C@@H]([C@H](O3)CO)O)O)ncnc2N
|
|
947
|
CC(C)(C)c1cc2n(n1)C3=NCCN3C=N2
|
|
948
|
c1ccc(cc1)CCc2cnccn2
|
|
949
|
c1ccc(cc1)C2=Nc3ccccc3OC2
|
|
950
|
Cc1c(c(on1)N)C2=CCN(CC2)C(=O)C
|
|
951
|
c1ccc(cc1)Oc2ccccn2
|
|
952
|
c1ccnc(c1)n2c(=O)c(=O)[nH]cn2
|
|
953
|
Cn1c(cc(n1)C(=O)OC)OC(=O)C23CC4CC(C2)CC(C4)C3
|
|
954
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
955
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
956
|
CC(C)(C)OC(=O)n1cc2c(c1)CC(C2)C(=O)[O-]
|
|
957
|
Cc1ccc(o1)[C@@H]2Nc3ccccc3C(=[NH+]2)O
|
|
958
|
Cn1c(c(cn1)c2nc(no2)C3CC3)N
|
|
959
|
C/C=C/Sc1ccccc1
|
|
960
|
Cc1c(c2n(n1)C(CC(=N2)C)(C)C)c3ccccc3
|
|
961
|
c1ccc(cc1)/C=C/2CCC=C2N3CCOCC3
|
|
962
|
CNc1ccccc1[C@@H]2C=CC(=C2)c3ccccc3
|
|
963
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
964
|
Cc1ccc(cc1)[C@@H]2Cc3c(c[nH]n3)C(=O)C2
|
|
965
|
c1cnn(c1)c2cc(=O)[nH]c(n2)N
|
|
966
|
C=CCOC1CCNC(N1)N
|
|
967
|
CN(Cc1ccc(cc1)C#N)Cc2nc(nc(n2)N)N
|
|
968
|
CCOC(=O)C1=NC2=CCn3ccnc3C2=C1
|
|
969
|
CCCCC[C@@H](CC)OC#C
|
|
970
|
COc1ccc(cc1)/N=c/[nH]c(cc(=O)[nH]2)O
|
|
971
|
c1ccc2c(c1)CC(C2)(C#N)O[C@@H]3CCCCO3
|
|
972
|
CC1=Nn2c(nnc2SC1)Cn3c4ccccc4nn3
|
|
973
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
974
|
CCCCc1[nH]cc([nH+]1)CO
|
|
975
|
c1cc(oc1)c2cc(=O)n3cnnc3s2
|
|
976
|
c1cc2cnn(c2nc1)[C@@H]3C[C@@H]([C@@H](O3)CO)O
|
|
977
|
c1ccc2c(c1)cnn(c2=O)Cc3nnnn3C4CC4
|
|
978
|
c1cc2c(cc1Cl)cc(o2)SCC(=O)[O-]
|
|
979
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
980
|
c1cc(c(cc1c2ccc(c(c2)O)N)O)N
|
|
981
|
c1ccc(cc1)C2=Nc3ccccc3NC=C2
|
|
982
|
c1cc(ncc1C#N)Sc2nccs2
|
|
983
|
c1ccc(cc1)c2[nH+]c(=O)cc(s2)[O-]
|
|
984
|
c1cc(=O)n(nc1n2cncn2)CC(=O)N
|
|
985
|
C1CCC2C(C1)CCC3C(C4CCCCC4[NH]3)C2
|
|
986
|
CCCCC#C/C=C/COC(=O)C
|
|
987
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
|
988
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
989
|
Cc1cn(nn1)c2ccccc2
|
|
990
|
CN(C)C1=[NH+]C=CC(=CC1)c2ccccc2
|
|
991
|
CCn1ccnc1SCc2nc(nc(n2)N)N
|
|
992
|
c1nc(nc2n1c3c(n2)CCC3)N
|
|
993
|
C1CCc2c(c3c(s2)C(=O)NCC3)C1
|
|
994
|
c1ccc2c(c1)ncn2Sn3cnc4c3cccc4
|
|
995
|
c1ccc(cc1)c2nnc3n2CCCS3
|
|
996
|
c1ccc2c(c1)nc3n2-c4ccc(cc4CS3)N
|
|
997
|
CC(C)(/C=C/C#CC(C)(C)O)O
|
|
998
|
c1ccc(cc1)c2cc3c(cn2)[nH]nc3N
|
|
999
|
CS(=O)(=O)NC[C@@H]1C[C@H]2C[C@@H]1C=C2
|
|
1000
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
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