(*) Hover the mouse over the Substance number to see a preview of the ZINC link.
Rank |
SMILES |
Substance |
---|---|---|
1
|
c1ccc(cc1)C(=O)NCSc2ccncn2
|
|
2
|
CCn1cnnc1c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
3
|
COC(=O)c1cc(coc1=[NH2+])C(=O)c2cc(ccc2O)Cl
|
|
4
|
c1cnc([nH]1)Cc2[nH]c(cn2)Cc3cnc[nH]3
|
|
5
|
c1cc(oc1)c2[nH]c3cnn(c3n2)C4CCCC4
|
|
6
|
c1cnccc1c2csc(n2)c3cnc[nH]3
|
|
7
|
c1ccc2c(c1)c(cs2)Nc3cccnc3
|
|
8
|
c1cc(cnc1)c2[nH]cc([nH+]2)C3CCCCC3
|
|
9
|
CCCO[C@@H]1CCCN(C1)C(=O)c2ccnnc2
|
|
10
|
CCOC(=O)c1c(cc([nH]1)c2ccco2)N
|
|
11
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3nc(no3)C4CC4)O
|
|
12
|
COC(=O)C1=CNN2C1=NCN(C2)Cc3ccccc3
|
|
13
|
c1ccc(cc1)S(=O)(=O)/N=C(/Cc2ccc(nc2)C(=O)[O-])[O-]
|
|
14
|
Cc1cccc(c1)Sc2ccnc(n2)c3ccccn3
|
|
15
|
c1ccc2c(c1)CC[NH+]=C(N2)N3CCOCC3
|
|
16
|
CCC(=O)c1cc(c(c(c1)Sc2cccc3c2nccc3)O)C
|
|
17
|
c1ccc(cc1)n2c(n/c(=NC(=O)CCC(=O)[O-])/[nH]2)N
|
|
18
|
Cc1c(nn2cc(nc2n1)CCNS(=O)(=O)C)C
|
|
19
|
CC[C@@H](C(=O)/N=c/1[nH]cn[nH]1)Oc2ccccc2
|
|
20
|
c1ccc2c(c1)C[C@@H](N2)Cn3c4ccccc4nn3
|
|
21
|
c1ccc(c(c1)N)NCCCn2ccnc2
|
|
22
|
c1ccc(cc1)c2c(nc([nH]2)c3ccco3)N
|
|
23
|
c1[nH]c(c(n1)N)c2[nH]oc(=O)n2
|
|
24
|
C1CC2C(CC1CC3CC[NH]C3)OCO2
|
|
25
|
c1ccc(cc1)[C@@H]2COC(=N2)CC3=N[C@@H](CO3)c4ccccc4
|
|
26
|
c1ccc(cc1)C/N=c/c(=N/CCO)/c(c2O)O
|
|
27
|
C1CCC2C(C1)[NH]C(=NC(=O)CN3CNNN3)[NH]2
|
|
28
|
c1cc(c(cc1Cl)C(=O)C2=C/C(=C/3C=CNC(=C3)[O-])/[NH+]=C2)O
|
|
29
|
C[C@@H](c1ccnc(n1)N)Oc2ncn(n2)c3ccccc3
|
|
30
|
c1ccc2c(c1)[nH]c(=NC(=O)CSc3nncs3)[nH]2
|
|
31
|
CCCc1[nH]c2cnn(c2n1)[C@@H](C)CCC
|
|
32
|
C[C@@H](c1ccccc1)Nc2cc3c(cn2)onc3c4ccccc4
|
|
33
|
|
|
34
|
CC(=O)Oc1c(c(c([nH]1)C(=O)OC)O)O
|
|
35
|
c1ccc2c(c1)C(=O)C(=O)N2CSc3nnc(o3)c4ccco4
|
|
36
|
CC1NCC(N1CC2CCCCC2)[C@@H](C3CCCO3)O
|
|
37
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3cccs3
|
|
38
|
c1cnc(c(n1)C#N)NCc2nc3c(s2)CCCC3
|
|
39
|
Cc1c[nH]/c(=NC(=O)OC(C)(C)C)/[nH]1
|
|
40
|
c1cc2c(cc1C(=O)Cn3c(=O)cc4c(n3)CCC4)CCO2
|
|
41
|
CCOc1cc(no1)Oc2ccccc2
|
|
42
|
CCCCCCNC(=O)n1cc(c(nc1=O)[O-])F
|
|
43
|
c1ccc(c(c1)N)Sc2ccc3nncn3n2
|
|
44
|
CC1=C[C@@](NC(=O)N1)(C)[C@@]2(C=C(NC(=O)N2)C)C
|
|
45
|
CCCCCNC1=[NH+]C(=N/C(=C/C=C(C=CC2=O)Cl)/N1)N
|
|
46
|
c1cc(ccc1/C=Cc2ccnc(n2)Cn3cncn3)Cl
|
|
47
|
c1ccc(cc1)c2nc(co2)COn3c4ccccc4nn3
|
|
48
|
CC(C)(C)OC(=O)N1CC[C@@](C1)(CSc2ccncc2)O
|
|
49
|
c1cc2cncn2c(c1)CCCCCC#N
|
|
50
|
c1c(sc(n1)Cl)CSc2[nH]ncn2
|
|
51
|
C1CCC2C(C1)CO[C@@H](N2)C3CCC[NH]3
|
|
52
|
Cc1ccc(o1)C(=O)Cc2c(=O)oc3ccccc3n2
|
|
53
|
c1cc(cnc1)Sc2cc3c(cc2O)CCO3
|
|
54
|
Cc1cc(n(n1)CSc2ccccc2)C
|
|
55
|
Cc1csc(n1)c2cc(c[nH]2)C(=O)c3ccccc3O
|
|
56
|
C1CCC(C(C1)C(=O)N)N[C@@H](/C=C/C2CCCO2)C#N
|
|
57
|
C1CCC(CC1)N2C3C(CN2)[NH]C(=O)[NH]3
|
|
58
|
c1ccc2c(c1)ccn2CCc3nc(on3)CC#N
|
|
59
|
COC(=O)N1CCc2c(s[nH]c2=O)C1
|
|
60
|
Cc1c([nH]c(c1C#N)N)Cc2ccccc2
|
|
61
|
|
|
62
|
c1ccc(cc1)CSc2ccsc2
|
|
63
|
C1CCC(CC1)S(=O)(=O)OC2CCC(NN2)[O-]
|
|
64
|
Cc1c(oc(n1)S[C@@H](C)c2cccnc2)C
|
|
65
|
C[C@@H](N1CCNC1)OCCCC2CCCCC2
|
|
66
|
c1ccc(cc1)CCC(=O)n2cnnc2N
|
|
67
|
C1CCC(CC1)CN2CCNC2C3CNCCN3
|
|
68
|
COC(=O)c1cnn2c1NCN(C2)Cc3ccco3
|
|
69
|
c1ccc(cc1)C(=O)NCn2cncn2
|
|
70
|
|
|
71
|
CCc1nc(on1)c2cc(n[nH]2)C3CC3
|
|
72
|
COC(=O)c1ccc(o1)[N-]S(=O)(=O)c2ccccc2
|
|
73
|
c1[nH]c2c(n1)c(ncn2)Sc3c(=O)[nH]c(=O)[nH]n3
|
|
74
|
CC(=O)NCCc1coc2c1ccnc2
|
|
75
|
CCOC(=O)c1ccc2c(c1)[nH]c(c2O)c3ccccc3
|
|
76
|
Cn1cc(cn1)NCc2ccc[nH]2
|
|
77
|
CC[C@@]1(Cc2ccccc2O1)c3[nH]ccn3
|
|
78
|
c1ccc(cc1)Sc2ccccc2
|
|
79
|
c1ccc2c(c1)[nH]c(n2)C/C=N/c3nccs3
|
|
80
|
c1ccc(cc1)NCCn2cccc2
|
|
81
|
Cc1c(sc(n1)C)c2cc3ccccc3[nH]2
|
|
82
|
C[C@@H](c1ccn[nH]1)Oc2ccccc2
|
|
83
|
c1ccc2c(c1)c3cn[nH]c(=O)c3[nH]2
|
|
84
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccco3
|
|
85
|
c1ccc(c(c1)OCc2nc(on2)c3nnc(o3)[O-])Cl
|
|
86
|
C=c1/c(=C/c2ccccc2O)/c(=O)o[nH]1
|
|
87
|
Cc1cc(no1)Cn2cc(cn2)c3cnn(c3)c4ccccc4
|
|
88
|
c1ccc2c(c1)nnn2C3=[NH+]CCN3
|
|
89
|
C1CCC(CC1)NSC2CCCCC2
|
|
90
|
c1ccc(cc1)CNC(=O)[C@@H]2CC(=Nc3n2ncn3)[O-]
|
|
91
|
CC1=CC(=O)N[C@@H](C1)c2ccccc2
|
|
92
|
Cc1c2c(n[nH]1)COC(=O)N2
|
|
93
|
c1ccc2c(c1)nc(s2)SCn3c4ccccc4oc3=O
|
|
94
|
c1ccc(cc1)c2c(c(=O)c2=O)NCc3ccccn3
|
|
95
|
C1CCC(CC1)CC2CCC[NH]2
|
|
96
|
CS(=O)(=O)NCc1ccccn1
|
|
97
|
c1ccc2c(c1)nc(s2)Sc3c(non3)N
|
|
98
|
c1ccc(cc1)SC/C(=N/c2[nH]ncn2)/[O-]
|
|
99
|
C1CC(SC1)CC(=O)NC2C[NH]NC2
|
|
100
|
CC(=O)NSC[C@@H](C(=O)[O-])NC(=O)OC(C)(C)C
|
|
101
|
Cc1nc(on1)[C@@H](C)Nc2nccc(n2)OC
|
|
102
|
c1ccc2c(c1)c(c[nH]2)Cc3c[nH]c4c3CCC=C4
|
|
103
|
CN(CC#CCN(C)C1=NC(=O)CC1)C2=NC(=O)CC2
|
|
104
|
Cn1nc(nn1)c2ccc(c(c2)N)O
|
|
105
|
CS(=O)(=O)N[C@@H]1CC(=O)N(C1)c2ccccc2
|
|
106
|
c1cnc([nH]1)SCc2c[nH]c(=O)[nH]c2=O
|
|
107
|
CCOC(=O)C/C(=N/c1cccc(c1)C(F)(F)F)/N
|
|
108
|
Cc1nnc(o1)CNC(=O)C2CCC2
|
|
109
|
COC1=CCC(=CC1)CC2CCC[NH]2
|
|
110
|
c1ccnc(c1)c2ccn(c2)c3cccc(c3)C#N
|
|
111
|
c1ccc(cc1)C(=O)Cc2c([nH]nc2N)N
|
|
112
|
c1ccc2c(c1)c(ns2)SCn3c4ccccc4nn3
|
|
113
|
|
|
114
|
CC1(NC(=O)[C@@H](O1)/C=C/C2CCCCC2)C
|
|
115
|
CC1=C(CSN(C1)C2CCCCC2)C
|
|
116
|
c1cnc(nc1[O-])SCC(=O)Nc2nccs2
|
|
117
|
c1ccc(cc1)CCc2csnn2
|
|
118
|
COCCCn1cnc2c(c1=O)c3c(o2)nc4ccccc4n3
|
|
119
|
Cc1c(nc2ccccc2n1)c3[nH]c(=O)[nH]n3
|
|
120
|
CN1C(=[NH2+])[C@H]([NH+]=C1C2CCCC2)c3cccc(c3)Cl
|
|
121
|
Cn1cncc1COC(=O)c2ccc(cc2)Cl
|
|
122
|
c1ccnc(c1)c2c([nH]cn2)c3ccsc3
|
|
123
|
CC#CCCCCCCC#CC
|
|
124
|
CCNC(=O)C#CC(=O)NCC
|
|
125
|
Cn1c2c(cn1)c(ncn2)Sc3nnc(o3)c4cccnc4
|
|
126
|
c1ccc(cc1)SCc2cc(=O)c(co2)O
|
|
127
|
c1ccnc(c1)CCSc2nncs2
|
|
128
|
C1C[NH+]=C2N(C1)c3c(c(=O)[nH]c(=O)[nH]3)S2
|
|
129
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(o3)Br
|
|
130
|
Cc1c(n2cccnc2n1)c3csc(n3)NCC=C
|
|
131
|
c1ccc(cc1)c2nnnn2CCc3ccccn3
|
|
132
|
C1CCC(CC1)SC[C@@]2(CCCC=C2)O
|
|
133
|
c1ccc(cc1)OCCc2nnc(o2)N
|
|
134
|
COc1cccc(c1)COc2c3cc4c(nc3on2)CCCC4
|
|
135
|
Cn1c(=O)cc(nc1SCc2nc3ccccc3c(=O)o2)[O-]
|
|
136
|
c1ccc-2c(c1)CCCc3c2[nH]c(n3)c4ccccn4
|
|
137
|
c1cc(sc1)C(=O)c2cnc3n2cccn3
|
|
138
|
COC(=O)CCc1c[nH]cn1
|
|
139
|
c1ccc2c(c1)nc(o2)Cn3cnc(n3)C#N
|
|
140
|
c1ccc(cc1)CSc2ccn[nH]2
|
|
141
|
c1ccc2c(c1)nc(s2)Cn3cnc(n3)C#N
|
|
142
|
c1ccc(c(c1)OCC(=O)c2ccc[nH]2)F
|
|
143
|
c1ccc2c(c1)[nH]c(=O)n2c3nc4c(o3)cccn4
|
|
144
|
CCSC1[NH]C(=O)C2C(N1)CCN(C2)C3CCCCC3
|
|
145
|
c1ccnc(c1)SCc2ncn(n2)c3cccc(n3)F
|
|
146
|
c1ccc(cc1)COn2cc(cn2)I
|
|
147
|
Cc1cc(n[nH]1)Nc2ccccc2
|
|
148
|
c1ccc(cc1)[C@@H]2C(=N2)c3ccccc3
|
|
149
|
c1ccc(cc1)SCn2c3ccccc3nn2
|
|
150
|
C1CCC(CC1)CON2CCCC2C#N
|
|
151
|
Cc1ccc(c(c1)C)C2=CSc3ccccc3N2
|
|
152
|
Cc1c(non1)CC(=O)NCC[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
153
|
c1ccc(cc1)Oc2ccc(o2)CO
|
|
154
|
[H]/N=c/n(nc(s1)C)Cc2ccccc2
|
|
155
|
Cc1cnc(o1)CSc2ccccc2
|
|
156
|
c1cc(cnc1)Cc2cnc[nH]2
|
|
157
|
COC(=O)c1c(=O)n([nH]n1)Cc2cccs2
|
|
158
|
c1cc2c(cc1c3cc[nH]n3)CCC2
|
|
159
|
Cc1nnc(o1)C(=O)Nc2ccccc2
|
|
160
|
c1ncn(n1)Cc2nc([nH]n2)CC#N
|
|
161
|
CCCCS(=O)(=O)NCc1nccn1C
|
|
162
|
c1ccc(c(c1)N)Sc2cnccn2
|
|
163
|
CCNC(=O)Cn1ccnc1
|
|
164
|
CC1=CC(=O)O[C@@]1(CC(=O)C2CCCCC2)O
|
|
165
|
c1ccc2c(c1)ccc3c2C4=C(CCC4)[C@@H](N3)c5ccncc5
|
|
166
|
Cc1cnn(c1)c2cc(ncn2)c3cccnc3
|
|
167
|
|
|
168
|
c1cc(oc1)C(=O)n2ccc(n2)c3cccs3
|
|
169
|
CC1C(NNN1/C=C/C2CCCCC2)C(=O)[O-]
|
|
170
|
c1ccc(cc1)C(=O)OC[C@@H]2COC(=O)N2
|
|
171
|
|
|
172
|
Cc1cc(ncn1)SCc2csc(n2)C
|
|
173
|
c1ccc(cc1)Sc2cccs2
|
|
174
|
c1ccnc(c1)NS(=O)(=O)c2ccc(o2)C(=O)[O-]
|
|
175
|
C1CCC(CC1)CSN2CC-3C4CCCCC4NC3NC2
|
|
176
|
CC(=O)Nc1c[nH]c2c1cccc2
|
|
177
|
CC#CC(=O)COC/C(=C/C=C)/C
|
|
178
|
CCOC(=O)/C=C(C)/Nc1c[nH]nc1
|
|
179
|
|
|
180
|
CN(C)C1=[NH+]C=CC(=CC1)c2ccccc2
|
|
181
|
CCOC(=O)CSc1cn2c(n1)CCC2
|
|
182
|
CC(C)NC(=O)c1ccc(o1)c2cncnc2
|
|
183
|
c1cc(oc1)CN2C(=O)[C@@H](N=C2O)CCC(=O)[O-]
|
|
184
|
C1CCC(CC1)CCC2=NC3C(=O)[NH]C(NC3OC2)N
|
|
185
|
CCCCOC1=N[C@@H]2[C@@H](CNC2=O)CO1
|
|
186
|
c1cc(cc(c1)N)C2=N[C@@H]3C=CC=C[C@@H]3N=C2
|
|
187
|
Cc1ccc(cc1)[C@@H](C/C=C
2c(cc(n2)C)C)O
|
|
188
|
CSc1cc(cs1)/C=Cc2cc(sc2)Cl
|
|
189
|
c1ccc2c(c1)[nH]c(n2)c3c(non3)N
|
|
190
|
CC(C)(C)c1cc(c(s1)C(=O)OC)CSc2ccccn2
|
|
191
|
Cn1cc(cn1)NCc2ccco2
|
|
192
|
c1cc(sc1)CCNc2ncccn2
|
|
193
|
COc1ccc(cc1OC)[C@@H]2CC[C@@H](O2)Cc3cccnc3
|
|
194
|
[H]/N=c/n(c2c(s1)CCCC2)CC(=O)c3ccccc3
|
|
195
|
c1cc(oc1)C(=O)/C=C/2C(=O)NCCN2
|
|
196
|
c1ccc2c(c1)[nH]c(=NC(=O)c3ccc[nH]3)[nH]2
|
|
197
|
c1ccc(cc1)NCc2cc[nH]n2
|
|
198
|
CCc1cc2c(s1)S[C@@H](NC2=O)c3ccccc3
|
|
199
|
c1ccc(cc1)S(=O)(=O)N2C=CC=CC=C2
|
|
200
|
C1CC(CCC1SCC2CNC(C(N2)C#N)N)CL
|
|
201
|
C[C@@H](C#N)NC(=O)N[C@@H](C)C(=O)N
|
|
202
|
c1cscc1OC(=O)C2=NC(=O)CC=C2
|
|
203
|
c1ccc(cc1)NC(=O)CSc2ccc(o2)c3ccncc3
|
|
204
|
CCO/C=CCC1(CCCC1)O
|
|
205
|
c1nc([nH]n1)SCCCN2CCOC2=O
|
|
206
|
C1CC(OC1)C(=O)CN2CCC(=O)CC2O
|
|
207
|
c1ccc(cc1)n2cc(cn2)Cn3cc(c(nc3=O)[O-])C#N
|
|
208
|
c1ccc2c(c1)C(=O)N[C@@H](O2)c3ccco3
|
|
209
|
c1ccc(cc1)SCCc2nnc(o2)N
|
|
210
|
c1ccc(cc1)[C@@H]2CNC(=O)N2
|
|
211
|
c1ccc(cc1)NC(=O)C[C@@H]2C(=O)NC(=[NH+]2)N3CCCCC3
|
|
212
|
c1ccc(cc1)C(=O)Cc2c(=O)n3c(ccc(n3)[O-])nn2
|
|
213
|
c1ccc(cc1)SCc2cnc(s2)Cl
|
|
214
|
C[C@@H](c1ccno1)Oc2ccccc2
|
|
215
|
c1ccc(cc1)C(=O)/N=c/n3c(ns2)-c4ccccc4C3
|
|
216
|
Cc1ccc(cc1)S(=O)(=O)NC(=O)n2ccnc2C
|
|
217
|
Cc1nc(on1)NC(=O)CSc2nncn2C3CC3
|
|
218
|
c1ccc2c(c1)nc(o2)Sc3nccs3
|
|
219
|
c1ccc2c(c1)c(n[nH]c2=O)CSc3ccccn3
|
|
220
|
CN(CCc1ccccn1)c2nc(=[N+](C)C)ss2
|
|
221
|
COC(=O)Nc1c(ccs1)OCc2ccc(cc2)Cl
|
|
222
|
Cn1c(=O)n2cc(ccc2n1)S(=O)(=O)N3CCCCC3
|
|
223
|
C1CCC(CC1)/C=C/CN2CCNC2C3CNCCN3
|
|
224
|
Cn1c(cc(n1)C(=O)OC)OC(=O)c2ccco2
|
|
225
|
c1ccc(cc1)COCn2cnc3c2cnc4c3scc4
|
|
226
|
c1ccc(cc1)c2nc(co2)COc3cn(nn3)c4ccccc4
|
|
227
|
c1cc2c(cc1I)C3=C(C2)C(=O)NCC3
|
|
228
|
c1ccc2c(c1)[nH]c(n2)c3ccc[nH]3
|
|
229
|
CS(=O)(=O)N1CC[C@@H](C1)c2[nH]c3cccnc3n2
|
|
230
|
Cc1nc([nH]n1)SCc2nc(nc(n2)N)N
|
|
231
|
C[C@@H](C(=O)c1ccccc1)Sc2nc(on2)c3cccnc3
|
|
232
|
Cc1cc2nc(cc(=O)n2o1)Sc3cccc(c3)OC
|
|
233
|
Cc1c(non1)OCCn2c(nnn2)N
|
|
234
|
Cc1[nH]nc(n1)c2nc([nH]n2)C
|
|
235
|
C=Cn1ccnc1CCOC(=O)c2ccc(cc2)Cl
|
|
236
|
Cc1c(non1)CC(=O)Nc2ccccc2
|
|
237
|
CC1=C(CCC(=O)N1c2ccccc2)n3c4ccccc4nn3
|
|
238
|
CC1(c2ccccc2NC(=O)c3c1cc(nn3)C(=O)OC)C
|
|
239
|
CN1CNNC1CNS(=O)(=O)N2CCCCC2
|
|
240
|
CC(=O)NCCc1c[nH+]c[nH]1
|
|
241
|
c1ccc(cc1)CCc2cnccn2
|
|
242
|
Cc1nnc(s1)SCSc2ccccn2
|
|
243
|
C1CC2(C1)C[C@@](NC(=O)N2)(C(F)(F)F)O
|
|
244
|
c1ccc(cc1)Sc2ccc(o2)CO
|
|
245
|
c1ccc(cc1)[C@@H]2C=C[C@@H]3COCC3=C2
|
|
246
|
c1ccc(cc1)[C@@H](c2c[nH]nc2)O
|
|
247
|
Cc1ccc(cc1)S(=O)(=O)Cc2c([nH]c(=O)[nH]2)C
|
|
248
|
C1CCC(CC1)[C@@H]2C[C@@H]2NC3=NCCO3
|
|
249
|
c1ccc2c(c1)N(CCS2)c3ccc(s3)C(=O)[O-]
|
|
250
|
c1ccc(cc1)C(=O)CC2=CCCCC2
|
|
251
|
c1ccc2c(c1)N(CCO2)c3ccc(s3)C(=O)[O-]
|
|
252
|
CC1=C(C[S@@](=O)N(C1)C(=O)c2ccccc2)C
|
|
253
|
c1ccc2c(c1)CCN2c3ccc(s3)C(=O)[O-]
|
|
254
|
c1ccc(cc1)NC(=O)OCn2cncn2
|
|
255
|
CC(C)(C)OC(=O)NS(=O)(=O)Nc1nccs1
|
|
256
|
CC(C)[C@@H](NC(=O)OCc1ccccc1)n2cncn2
|
|
257
|
c1ccc(cc1)C2=CC=CC(C2(O)O)(O)O
|
|
258
|
C[C@H]([C@@H]1[C@@H](NC1=O)CC(=O)OC)O
|
|
259
|
c1csc(n1)NS(=O)(=O)c2c(=O)[nH]c(=O)[nH]n2
|
|
260
|
C1CCC(CC1)/C=C/C=C/C2C(=O)[NH]C(=O)[NH]N2
|
|
261
|
Cc1ccc(o1)SCc2ccco2
|
|
262
|
C[C@@H](n1cncn1)Oc2cccc(c2)Cl
|
|
263
|
CN(C)S(=O)(=O)NCCc1c[nH]cn1
|
|
264
|
CN1CNNC1CNC2CNC3CCCCC3N2
|
|
265
|
C[C@H]1[C@@H]([C@H](C=CO1)O)OCc2ccccc2
|
|
266
|
Cc1c(non1)NC(=O)OCCN2CCOC2=O
|
|
267
|
|
|
268
|
Cc1ccc(cc1)NS(=O)(=O)c2ccc(o2)Br
|
|
269
|
Cc1cc(n(n1)C(=O)c2cc3c([nH]2)ccs3)C
|
|
270
|
c1cc([nH]c1)c2[nH]c(=O)on2
|
|
271
|
c1ccc(cc1)C(=O)Cc2[nH]ccn2
|
|
272
|
c1ccc(cc1)C[C@@H]2CCOC(=O)N2
|
|
273
|
c1ccc(cc1)Sn2c3ccccc3nn2
|
|
274
|
Cc1nnc(s1)SCC2=NN(C(=O)C2)c3ccccc3
|
|
275
|
CCN1C[C@@H](CC1=O)NC(=O)Cc2c(non2)C
|
|
276
|
Cc1nnc(o1)c2csc(n2)c3cccnc3
|
|
277
|
c1ccc2c(c1)CCNC(=N2)N3CCCC3
|
|
278
|
Cc1c(c2cc(ccc2[nH]1)F)CCn3cnnn3
|
|
279
|
c1cc(cnc1)CCNCc2cscn2
|
|
280
|
c1ccc2c(c1)[nH]c(n2)Sc3c(non3)N
|
|
281
|
c1cc(sc1)CC(=O)Nn2cnnc2
|
|
282
|
c1ccc(c(c1)c2nc([nH]n2)CC(=O)[O-])O
|
|
283
|
CN1CN(c2c1cccc2)CC(=O)c3ccccc3
|
|
284
|
Cc1ccc(cc1)Nc2cc(cs2)[C@@]3(CCC(=O)O3)C
|
|
285
|
COC(=O)/C=c/c(=O)[nH]c(=C)s1
|
|
286
|
c1c(cncn1)n2cc(nc2)N
|
|
287
|
CCCCCC(=O)NC1C(N[NH]N1)C#N
|
|
288
|
Cc1[nH]c(=O)cc(n1)CSc2ccccc2
|
|
289
|
c1cc(sc1)CC(=O)n2cnnc2
|
|
290
|
CCCC(=O)[C@@H](CC)Sc1ccoc1C
|
|
291
|
Cc1nc(on1)C(=O)NCc2ccco2
|
|
292
|
Cc1cc(n(n1)c2cccc(c2)c3cccc(n3)N)C
|
|
293
|
c1cc(oc1)CCC(=O)Nc2nc[nH]n2
|
|
294
|
|
|
295
|
CCC1CCC(CC1)CCC(=O)/N=C/2[NH]CC([NH]2)[O-]
|
|
296
|
C1COC(N1)NC2CCCCC2
|
|
297
|
CC1(C(=O)CCC1=O)C/C=C/2CCC3C2CCC(C3)OC
|
|
298
|
CCOC(=O)C1=C(C=C[C@@H]1c2ccccc2)N
|
|
299
|
c1cn[nH]c1[C@@H]2CCCN(C2)S(=O)(=O)N3CCCCCC3
|
|
300
|
c1ccc(cc1)CSc2[nH]ncn2
|
|
301
|
Cc1c(non1)NS(=O)(=O)c2ccccc2
|
|
302
|
|
|
303
|
Cc1cnn(c1)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
304
|
C[C@@H]1CC=CCN(C1)S(=O)(=O)c2ccccn2
|
|
305
|
Cc1nnc(o1)NCc2nc(cs2)c3ccc(cc3)F
|
|
306
|
Cc1ccc(=O)n(c1)C(=O)c2cc(cc(n2)c3ccccc3)OC
|
|
307
|
Cc1c(cn(n1)C(=O)C)c2nc(sn2)Nc3ccccc3
|
|
308
|
c1ccc2c(c1)N[C@@H]3C[C@H](N2)O[C@@H]3[C@H](CO)O
|
|
309
|
Cn1c(c(nc1Sc2cccs2)C#N)C#N
|
|
310
|
c1ccc(cc1)[C@H](C(=O)[C@H]2C=CC=N2)O
|
|
311
|
Cc1ccc(cc1C)Oc2cc(nc(n2)SC)n3cncn3
|
|
312
|
c1ccc2c(c1)[nH]c(n2)Cn3c(nnn3)N
|
|
313
|
c1ccc(cc1)Cc2ccn[nH]2
|
|
314
|
CSc1nc([nH]n1)/N=C([O-])/Oc2ccccc2
|
|
315
|
c1ccc(cc1)NCc2cccs2
|
|
316
|
C1CCC(CC1)CSC2C(C3N[NH]C(=O)N3CN2)N
|
|
317
|
C1CCC2C(C1)NC3N2[N-]C(N3)C4CCCO4
|
|
318
|
Cc1c(cc(o1)C(=O)[O-])Sc2ccccc2C(=O)[O-]
|
|
319
|
c1c(c2c([nH]1)CCCC2)c3[n-]n4cnnc4n3
|
|
320
|
c1cc(cc(c1)F)[N-]S(=O)(=O)c2cc(oc2)C(=O)N
|
|
321
|
c1ccc(cc1)c2cc(=O)[nH]c(=O)s2
|
|
322
|
c1[nH]nc(n1)C(=O)NC2CC2
|
|
323
|
CCOc1/c(=N/Cc2ccccc2)/c(=O)c1[O-]
|
|
324
|
c1cc(oc1CSc2[nH]cnn2)C(=O)[O-]
|
|
325
|
Cc1ccccc1SCCN2CCOC2=O
|
|
326
|
|
|
327
|
|
|
328
|
c1cc(ncc1C#N)NCc2nccs2
|
|
329
|
CCc1nc(cs1)Cn2cnc(n2)C#N
|
|
330
|
C(CF)NC(=O)NCCF
|
|
331
|
CS(=O)(=O)NCc1cccs1
|
|
332
|
Cc1nc(cs1)c2cc(no2)CO
|
|
333
|
c1c(c(=O)n2c(n1)SCC2)c3nc(on3)CCCC(=O)[O-]
|
|
334
|
CC(C)[C@@H](C(=O)/N=c/1[nH]cn[nH]1)NC(=O)C
|
|
335
|
CCOC(=O)c1c2nc([nH]n2cn1)C(=O)C
|
|
336
|
|
|
337
|
CCCNC(=O)NC1=NC(=C([C@H]1C)C(=O)OCC)C
|
|
338
|
CC(C)c1nc([nH]n1)CC#N
|
|
339
|
c1ccc(cc1)C(=O)Cc2c(nn3c(nnc3n2)N)[O-]
|
|
340
|
c1ccc(cc1)NC(=O)/C=c/2c(nc3n2c4ccccc4n3)O
|
|
341
|
CC[C@@H]1COC(=N1)COCC2CCCCC2
|
|
342
|
c1ccc(cc1)C2=CCNn3cnnc3S2
|
|
343
|
C/C=C/[C@@H]1OCC[C@@](O1)(C)C(=O)C2CCCCC2
|
|
344
|
c1ccc(cc1)[C@@H]2COC(=O)N2
|
|
345
|
c1cnoc1c2nc(no2)CS(=O)(=O)c3ccsc3
|
|
346
|
c1ccc2c(c1)ncc(n2)/C=C/[C@@H](CO)O
|
|
347
|
CCC1NNC(O1)COC(=O)C2CC[NH]N2
|
|
348
|
Cc1nnc(s1)SCn2c3ccccc3nn2
|
|
349
|
CCCSc1ccc2c(c1)[nH]c(n2)N
|
|
350
|
Cnccs/c1=NC(=O)CNS(=O)(=O)c2cnn(c2)C
|
|
351
|
c1cc(sc1)Cc2nc(c(o2)N)C#N
|
|
352
|
C1CCC(CC1)S(=O)(=O)NCCN2CCNC2
|
|
353
|
CCOC(=O)c1cc(c(o1)N)[C@@](C(=O)OC)(C(F)(F)F)O
|
|
354
|
C/C(=C/Oc1ccccc1)/C=C/OC
|
|
355
|
c1ccc(cc1)n2c(ncn2)CN3CCCC3=O
|
|
356
|
Cc1nc2c(o1)CCc3ccccc3[C@@H]2O
|
|
357
|
|
|
358
|
Cc1ccc(cc1)c2nc(no2)COn3c4ccccc4nn3
|
|
359
|
c1c(n[n-]n1)SCC(=O)Nc2nncs2
|
|
360
|
c1ccc(cc1)Cn2cnc3c(c2=O)nsc3C(=O)NC4CC4
|
|
361
|
COc1cccc(c1)[C@@H]2N=C(C(=O)O2)Cc3ccco3
|
|
362
|
c1ccc2c(c1)NC=CC(=N2)c3ccccn3
|
|
363
|
Cn1ccc(n1)C(=O)OCC(=O)c2ccco2
|
|
364
|
Cc1c(c[nH]n1)C(=O)N2CCn3c(nc(n3)C)C2
|
|
365
|
CN(Cc1[nH]c(=O)cc(n1)N)S(=O)(=O)c2ccccc2
|
|
366
|
C1CCC(C1)NC2C(C(NNN2)N)N
|
|
367
|
[H]/N=c/n(c(co1)C)CC(=O)c2ccc(cc2)C
|
|
368
|
c1ccc(cc1)C(=O)/C=C/C(=O)Nc3c(cccn3)N2
|
|
369
|
C1CCC(CC1)C(=O)[C@@H]2COC3C2NC4CCCCC4N3
|
|
370
|
|
|
371
|
CC[C@@H](c1ccoc1)Sc2ccccc2
|
|
372
|
c1ccc(cc1)S(=O)(=O)[N-]c2cccnc2
|
|
373
|
c1ccc(cc1)Nc2nnnn2NC(=O)Cc3cccs3
|
|
374
|
Cc1c(non1)CNS(=O)(=O)CC=C
|
|
375
|
Cc1c(snn1)c2[nH]c3ccccc3n2
|
|
376
|
Cc1cc(on1)Cc2nc(no2)c3cccc4c3cc[nH]4
|
|
377
|
c1cc(ccc1C#N)C(=O)OCc2nccn2C(F)F
|
|
378
|
C1CCC2C(C1)CC[C@@H]2CC3CCCCN3
|
|
379
|
c1cc(oc1/C=C/C(=O)NC(=O)N2)N3CCOCC3
|
|
380
|
|
|
381
|
c1ccc(cc1)SCC(=O)Nc2[n-]nnn2
|
|
382
|
C[C@@H](c1c([nH]c(=O)[nH]c1=O)[O-])[NH2+]/C=C/C2=CCCCC2
|
|
383
|
C1CCC(CC1)C2NNC3N2NC(O3)C4CCCO4
|
|
384
|
Cc1ccc(nn1)NCCSc2nccn2C
|
|
385
|
c1cc2c(cc1C#N)C[C@@H](O2)c3ccc(s3)Br
|
|
386
|
c1cnc2nc(cn2c1)CSc3[nH]ncn3
|
|
387
|
Cc1cnc(o1)CN(C)Cc2ccco2
|
|
388
|
Cc1ccc(cc1)S(=O)(=O)N/C(=N/c2[nH]ncn2)/[O-]
|
|
389
|
c1ccc(cc1)COC2=CCCCC2
|
|
390
|
Cc1ccccc1NC2=NC(=[NH+]C(N2)(C)C)N
|
|
391
|
CC1NC(ON1)CC2CCCS2
|
|
392
|
CCCc1nn2c(nnc2o1)c3ccccc3
|
|
393
|
c1ccc(cc1)n2cnnc2CC(=O)c3ccc(cc3O)O
|
|
394
|
c1c(cn(n1)Cc2nc(nc(n2)N)N)Cl
|
|
395
|
c1cc(cc(c1)C(F)(F)F)CSc2cn[nH]n2
|
|
396
|
c1ccc(cc1)Cn2ccc(n2)n3cnnn3
|
|
397
|
Cc1csc(n1)Sc2csc(n2)Cl
|
|
398
|
|
|
399
|
Cc1cc(no1)CSc2ccccn2
|
|
400
|
c1cc(oc1)C(=O)c2[nH]cc[nH+]2
|
|
401
|
Cc1ncc(c(n1)N)CSc2nc(ns2)SC
|
|
402
|
CCSc1[nH]c(c(n1)C)CC(C)C
|
|
403
|
CCOC(=O)Cc1[nH]ncn1
|
|
404
|
C[C@@H](c1ccnc(n1)N)Oc2ccccc2
|
|
405
|
c1ccc(cc1)SC2=CCCCCC2
|
|
406
|
c1ccc(cc1)Nc2cccc(c2)c3nnsn3
|
|
407
|
Cc1cc(c(s1)C)C(=O)CC/C(=N/c2[nH]ncn2)/[O-]
|
|
408
|
CC1=NN(C(=O)C1)CCc2cccc(c2OC)OC
|
|
409
|
CC[C@@]1(C(=N1)N(C)C)C2CCCCC2
|
|
410
|
c1ccc(cc1)/C=C/2NC(=O)C(=O)O2
|
|
411
|
C1CCC(CC1)[C@@H]2CCC(=O)N2
|
|
412
|
c1ccc(cc1)Sc2nccs2
|
|
413
|
CSc1[nH]c(=O)cc(n1)c2ccoc2
|
|
414
|
CN1CC(CN1)NC(=O)CCN2CCOC2=O
|
|
415
|
C[C@@H](c1cc[nH]n1)n2cncn2
|
|
416
|
c1cc(sc1)C(=O)/C=C/2C(=O)NCCN2
|
|
417
|
CC(=CCC/C(=C/Cn1ccnc1)/C)C
|
|
418
|
c1ccc2c(c1)CNC(=O)CN2
|
|
419
|
Cc1cc(c(c(c1)C)OS(=O)(=O)Nc2cccnc2)C
|
|
420
|
C=CCSc1nccn1c2ccccc2
|
|
421
|
CC(C)c1c[nH]c(n1)COCc2ccccc2
|
|
422
|
c1c(cncc1Cl)OC(=O)C2=NC=NC2
|
|
423
|
Cc1nc(cn1C)S(=O)(=O)Oc2ccccc2F
|
|
424
|
COC(=O)c1cn(nn1)CN2CCC(CC2)C#N
|
|
425
|
CC[C@@H](c1cnn(c1)C)NC(=O)c2c(ocn2)C
|
|
426
|
|
|
427
|
c1ccc2c(c1)CC3=C2NC(=O)N[C@@H]3c4ccccn4
|
|
428
|
Cc1csc(n1)SCC2=NS(=O)(=O)c3ccccc3N2
|
|
429
|
c1ccc(cc1)Cn2c(nnc2Cl)C3CC3
|
|
430
|
Cc1cc(n(n1)CNc2c(non2)C)C
|
|
431
|
c1cc(cnc1)c2nnc(s2)Cc3cccs3
|
|
432
|
c1ccc2c(c1)C[C@@H]2c3ccccn3
|
|
433
|
Cc1[nH]cc(n1)c2ccccc2
|
|
434
|
C[C@@H](c1cc2ccoc2cn1)Sc3nc(cc(n3)Cl)N
|
|
435
|
Cc1csc(n1)SCc2nnc(o2)C
|
|
436
|
c1cc(ccc1F)SN2CCOCC2
|
|
437
|
c1ccc(cc1)Cn2cccc2
|
|
438
|
c1cc(ccc1CCc2c[nH]c3c2c(=O)[nH]c(n3)N)C(=O)[O-]
|
|
439
|
c1ccc(cc1)c2cn(c(n2)N)NC(=O)Nc3ccc(cc3)F
|
|
440
|
c1cc(sc1)C(=O)NCCc2c[nH]c[nH+]2
|
|
441
|
c1ccnc(c1)SCc2ccco2
|
|
442
|
Cnccs/c1=NC(=O)Cc2cccs2
|
|
443
|
c1ccc(cc1)Sc2ccccn2
|
|
444
|
CN1C(NCN1)CCC2CCCCC2
|
|
445
|
Cc1ccc(cc1)NC2=NC(=[NH+]C(N2)(C)C)N
|
|
446
|
Cc1ccc(cc1)SCC(=O)n2cnnc2N
|
|
447
|
COc1cc(ncn1)N2CCNC(=O)C2
|
|
448
|
c1ccc(cc1)c2cn3c(n2)scn3
|
|
449
|
c1ccc(cc1)C(=O)[C@H](C#N)C2=NCCC2
|
|
450
|
Cn1ccnc1SCC(=O)C(=C2Nc3ccccc3N2)C#N
|
|
451
|
c1cc(ccc1CC/C=C
2ccnc2)Cl
|
|
452
|
COCCSc1nnc(o1)c2c[nH]c3c2cccc3
|
|
453
|
c1cc(ccc1[C@@H](c2ccns2)O)F
|
|
454
|
CS(=O)(=O)NC[C@@H]1CCCO1
|
|
455
|
c1ccc(cc1)COc2c(non2)N
|
|
456
|
c1ccc2c(c1)Cn3c(cnn3)C=N2
|
|
457
|
CC1=NC2CCCCC2N[C@@H](C1)C3CCOC3
|
|
458
|
COC(=O)N[C@@H]1CC=CC[C@@H]1F
|
|
459
|
c1ccc(cc1)CCOn2ccnc2
|
|
460
|
c1ccnc(c1)c2cc([nH]n2)C(=O)NCCn3cncn3
|
|
461
|
c1ccc(cc1)[N-]S(=O)(=O)N2CCOC2=O
|
|
462
|
|
|
463
|
c1cc(ccc1NC2=CC(=O)N=[NH+]2)F
|
|
464
|
CC(C)(C)c1cc([nH]n1)SC
|
|
465
|
c1ccc2c(c1)[C@H]3C[C@@H]([C@@H]2N3)c4ccc(nc4)Cl
|
|
466
|
C1CNC(NC1)O[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
467
|
Cc1c(oc(n1)C)c2cc[nH]n2
|
|
468
|
C1=NC(=O)C2=NC(=NC2=N1)[N-]NSCCO
|
|
469
|
C1CCc2c([nH]/c(=NC(=O)CCC(=O)[O-])/s2)C1
|
|
470
|
Cc1cc2nc(cc(=O)n2o1)N(C)Cc3ccsc3
|
|
471
|
c1ccc(cc1)OC2=CCCC=C2
|
|
472
|
C1CC(OC1)NC(=O)CCC(=O)[O-]
|
|
473
|
c1cc(cnc1)[C@@H]2c3cccn3CCN2
|
|
474
|
c1ccc2c(c1)nnn2Cc3nc(no3)c4c(non4)N
|
|
475
|
Cn1ccc(=NC(=O)c2ccccc2)cc1
|
|
476
|
Cc1nc(on1)NC(=O)C[C@@H]2CCC=C2
|
|
477
|
c1ccc(cc1)c2nc(cs2)c3ccn[nH]3
|
|
478
|
c1cc(ccc1c2cc(n(n2)C(=O)c3c(n[n-]n3)Cl)N)Cl
|
|
479
|
c1ccc2c(c1)CC3=C(C=C2)C(=O)OC3
|
|
480
|
c1ccc(cc1)C(=C2C=CC=C2)O
|
|
481
|
CCOC(=O)/C=C/1CCC=C1N2CCOCC2
|
|
482
|
CCCCN/C(=CC1=NCCC1)/C
|
|
483
|
C1COCCN1c2c(n[nH]n2)C(=O)N
|
|
484
|
Cc1ccc(cc1)C2=Cc3ccccc3NC=C2
|
|
485
|
c1cnsc1C(=O)N2CC(C2)F
|
|
486
|
c1cc(sc1)NC(=O)NCC2CC2
|
|
487
|
C1CCC(CC1)CC2=NCCNC2=O
|
|
488
|
Cn1c(=O)c(nn(c1=O)C)Sc2ccccc2F
|
|
489
|
c1ccc2c(c1)[nH]c(n2)SN3CCCC3
|
|
490
|
c1cc(oc1Cn2ccnc2)C(=O)[O-]
|
|
491
|
c1cc2c(cc1S(=O)(=O)N3CCCCC3)N=C(CS2)O
|
|
492
|
Cc1nc(c(o1)n2cnc3c2cccc3)C#N
|
|
493
|
CCc1nc2ccccc2c(=O)n1N
|
|
494
|
CC[C@H]1[C@H](C(=O)N1)NC(=O)OC
|
|
495
|
Cc1csc(n1)NC(=O)c2c(nns2)C
|
|
496
|
Cn1cccc1CCn2ccnc2
|
|
497
|
CN(C)C(=O)Sc1cccnc1
|
|
498
|
CC(=O)N1CCC(CC1)c2nnc(s2)c3ccco3
|
|
499
|
Cc1nc(on1)/C=C/c2ccccc2O
|
|
500
|
CC1C(OC(N1)CSC2[NH]NCN2)C
|
|
501
|
c1ccc(cc1)CSc2cncc(n2)C(=O)[O-]
|
|
502
|
Cc1nc(on1)CNS(=O)(=O)C
|
|
503
|
c1c(nc[nH]1)C2(CCCC2)O
|
|
504
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)n3c(c(cn3)C#N)N
|
|
505
|
c1ccc(cc1)Sc2ccn[nH]2
|
|
506
|
CCOC(=O)c1c(n(c(=O)s1)c2ccccc2)N
|
|
507
|
c1ccnc(c1)SC[C@H](COCc2ccco2)O
|
|
508
|
CCc1nc(cs1)CSc2nccn2C
|
|
509
|
c1ccnc(c1)SCCn2cccn2
|
|
510
|
c1cc(ccc1[C@@H]2CCN3C(=[NH+]2)N=NN3)Br
|
|
511
|
Cc1c(c(on1)C)C(=O)n2ccc(n2)c3c(nc(o3)C)C
|
|
512
|
Cc1cccc(c1)NC2=CC(=O)[C@H]([NH+]=N2)c3ccccc3
|
|
513
|
Cc1c(n2ccccc2n1)c3ccn[nH]3
|
|
514
|
CCCNC(=O)Cc1nc[nH]n1
|
|
515
|
c1cc(cnc1)c2cc([nH]n2)NC(=O)c3cnns3
|
|
516
|
c1ccc(cc1)n2c(nnn2)Cn3cnc(n3)C#N
|
|
517
|
[H]/N=c/n(nc(s1)c2cccs2)CC(=O)c3cccs3
|
|
518
|
CCOC(=O)c1c(c([nH]n1)C)N
|
|
519
|
Cc1c(cnn1C)CCc2nnc(o2)SC
|
|
520
|
Cc1cccc(n1)C#CCNc2ccccc2
|
|
521
|
CC(=O)NCCn1cccc1
|
|
522
|
c1ccc(cc1)CCc2cc(=O)cc([nH]2)c3ccccc3
|
|
523
|
Cc1nc(cs1)CSc2nc([nH]n2)N
|
|
524
|
CN(CCn1cccn1)c2ccccc2
|
|
525
|
c1cc(oc1)CSc2ccc(cc2)n3cnnn3
|
|
526
|
C[C@@H](C1CCCS1)NC2=NCCO2
|
|
527
|
Cn1ncc(n1)NC(=O)CCc2cn3ccccc3n2
|
|
528
|
c1c[nH]nc1C2CCCCC2
|
|
529
|
CCc1nnnn1Cc2ccn(n2)c3cccc(c3)F
|
|
530
|
C/C=C/C#CC#C[C@H]([C@H](/C=C/CCCO)O)O
|
|
531
|
c1ccc2c(c1)[C@@H](NC=[NH+]2)Cn3c4ccccc4nn3
|
|
532
|
Cc1cn2c(n1)sc(n2)NCC=C
|
|
533
|
|
|
534
|
C/C(=CCc1cccc(n1)C(=O)N)/CCC(=O)[O-]
|
|
535
|
c1ccc2c(c1)ccc(n2)CC(=O)c3ccncc3
|
|
536
|
c1cc(ccc1OC(=O)NCn2ccnc2)Cl
|
|
537
|
CC(=O)NCCn1cccn1
|
|
538
|
C[C@@H](Nc1nccs1)n2cncn2
|
|
539
|
CCOC(=O)[C@@]1(CC(=C)CO1)NC(=O)OC
|
|
540
|
c1ccc(cc1)C(=O)N2CCC3=CC(=O)O[C@@H]3C2
|
|
541
|
c1ccc2c(c1)C[C@@H](O2)c3nnc(o3)N
|
|
542
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2ccccc2
|
|
543
|
c1cc2c(cc1N)N3CC[NH+]=C3S2
|
|
544
|
c1ccc2c(c1)n(c(=O)o2)CCn3cnc(n3)C#N
|
|
545
|
c1cnc(c2c1n(nn2)[C@@H]3C[C@@H](OC3)CO)N
|
|
546
|
COC(=O)[C@@H]1CC/C(=C(C#N)/C2=N[C@@H](CC2)C(=O)OC)/N1
|
|
547
|
CC1NC(NO1)C2(CCCC2)NC(=O)C
|
|
548
|
CC1=C[C@@H](OC(=C1)C)c2ccccc2
|
|
549
|
CC(C)Ncccccc/c1=NC(C)C
|
|
550
|
c1ccc(cc1)C(=O)O[C@@H]2CC(=O)N2
|
|
551
|
Cc1c(c(n[nH]1)O)C2=NCCCCC2
|
|
552
|
CC(C)(C)OC(=O)NCc1[nH]nc(n1)c2ccccc2
|
|
553
|
COC(=O)c1ccn(n1)CSc2nncn2N
|
|
554
|
c1ccc(cc1)c2ncc(o2)C3=NCCO3
|
|
555
|
c1cc(oc1)c2c[nH]c(=O)cn2
|
|
556
|
|
|
557
|
C1CCC(CC1)C2=N[C@@H]2COC(=O)C3CCC(CC3)BR
|
|
558
|
c1cc([nH]c1)c2nnc(o2)SCC(F)(F)F
|
|
559
|
c1cscc1C(=O)c2cn[nH]c2N
|
|
560
|
c1ccc(cc1)Sc2[nH]ncn2
|
|
561
|
C1CC(CCC1C(=O)N2CCC[C@H](C2)C3CCN[NH]3)F
|
|
562
|
COC(=O)/C=C/1C(=O)NCCCN1
|
|
563
|
C[C@@H](c1cccc(c1)n2cccc2)NS(=O)(=O)C
|
|
564
|
COC(=O)N1CCC(CC1)c2cc(=O)[nH]s2
|
|
565
|
c1ccnc(c1)SCCc2c[nH]c[nH+]2
|
|
566
|
c1nc([nH]n1)c2nc(on2)CCC(=O)[O-]
|
|
567
|
c1ccc2c(c1)CCN2CC(=O)N3[C@H]4CC[C@@H]3c5c(nns5)C4
|
|
568
|
CCS(=O)(=O)NCCn1cccn1
|
|
569
|
Cc1nc(nn1C)NC(=O)NCc2ccon2
|
|
570
|
c1cc(sc1)C(=O)/N=c/2[n-][nH]nn2
|
|
571
|
CC1(CC=CC1)NS(=O)(=O)C
|
|
572
|
Cn1c(=O)n(c(=O)s1)Cc2ccccc2
|
|
573
|
c1ccc2c(c1)CCN(C2)C/C(=N/c3nccs3)/[O-]
|
|
574
|
Cc1c([nH]n(c1=O)C2=NCCN2)c3ccccc3
|
|
575
|
CCc1nc(cs1)Cn2ccccc2=O
|
|
576
|
C1CCC(CC1)S[C@@H]2CCCO2
|
|
577
|
Cc1csc(n1)Sc2nc(ns2)Cl
|
|
578
|
Cc1c(c([nH]n1)c2ccccc2)N
|
|
579
|
Cc1ccc(cc1)C2=CSNC(=N2)c3ccccc3OC
|
|
580
|
c1ccc2c(c1)NC3(O2)CCCC3
|
|
581
|
c1ccc(cc1)Nc2cn[nH]n2
|
|
582
|
CC1C(SC(N1)C[C@@H](C)N2CC(CN2)CL)C(=O)C
|
|
583
|
CC(C)(C)OC(=O)Nc1cc2c(nc1)n(cn2)C
|
|
584
|
Cc1c(nc(o1)c2ccoc2)CN3CCC[C@H]3C(=O)OC
|
|
585
|
c1ccc(cc1)Nc2[nH]ncn2
|
|
586
|
CC(=O)c1ccc(c(c1)F)Sc2nncs2
|
|
587
|
c1ccc(cc1)c2nc(on2)c3csnn3
|
|
588
|
CNC=CN/C1=CC(=O)c2ccccc2
|
|
589
|
c1ccc2c(c1)nc(s2)CSc3[nH]ncn3
|
|
590
|
c1ccc2c(c1)Cc3c(c(c(nc3S2)N)C#N)N
|
|
591
|
CS(=O)(=O)NCc1ccco1
|
|
592
|
c1cc(sc1)Cc2[n-]nnn2
|
|
593
|
Cc1nc(on1)CCCc2c[nH]c3c2cccc3
|
|
594
|
Cn1c(=O)c(c(cn1)Cl)[C@@H](C#N)c2nc3ccccc3s2
|
|
595
|
c1ccnc(c1)CC(=O)c2ccco2
|
|
596
|
c1ccc2c(c1)Cc3ccccc3NC2
|
|
597
|
Cc1nc(cs1)c2cc([nH]c2)C(=O)[O-]
|
|
598
|
c1ccc(cc1)SC2=C(CC2)Sc3ccccc3
|
|
599
|
CSc1[nH]c(=O)cc(n1)c2ccc3c(c2)nns3
|
|
600
|
c1ccnc(c1)NC(=O)Cn2cnnn2
|
|
601
|
c1ccc(cc1)Cc2cnc(nc2N)N
|
|
602
|
Cn1c2cc([nH]c2nc1SC)C(=O)OC
|
|
603
|
CCCCCCC1CN[NH]N1
|
|
604
|
Cc1cc(nc2c1nc(o2)OCc3ccc(cc3)Cl)C
|
|
605
|
Cc1ccc(o1)Cc2cc(c(o2)C)c3ccccc3
|
|
606
|
CCCCCC(=O)OCC#C
|
|
607
|
c1ccc(cc1)Cc2cc(=O)[nH]cn2
|
|
608
|
c1ccc2c(c1)c(c-3n[nH+]c4c(nc23)non4)O
|
|
609
|
Cc1c(sc(n1)Cn2c3ccccc3nn2)C
|
|
610
|
C1CCC(CC1)CC2=NCOC2=O
|
|
611
|
[H]/N=c/n2c(c(s1)c3ccccc3)NCC2
|
|
612
|
Cc1cc(nc(n1)C)Oc2cccc(c2)c3nnco3
|
|
613
|
Cc1cc([nH]c1c2ccn(n2)C(=O)c3c(nns3)C)C
|
|
614
|
Cc1nc-2n(n1)Cc3c2cccc3
|
|
615
|
c1cn(cn1)OCCCCC(=O)[O-]
|
|
616
|
COc1c(nccn1)N2CCC(CC2)NS(=O)(=O)C
|
|
617
|
C[C@H](CCc1ccco1)Nc2ncccn2
|
|
618
|
CCOC(=O)C1CC(=O)OC(=O)[NH]1
|
|
619
|
|
|
620
|
Cc1cc(c(=O)[nH]n1)Cc2cccs2
|
|
621
|
c1ccc2c(c1)C(=O)N[C@@H](N2)c3ccco3
|
|
622
|
c1ccc2c(c1)nnn2OCc3nnc(o3)c4ccc(cc4)F
|
|
623
|
Cc1nnc(n1C)COC(=O)c2cc(c(cc2Cl)Cl)F
|
|
624
|
CC(=C)CSc1nnc(o1)Cn2cncn2
|
|
625
|
c1c(nc[nH]1)C[C@@H]2C(=O)N3CCC[C@@H]3C(=O)N2
|
|
626
|
CC(C)[C@@H]1CC(=CC(=O)N1)N(C)C
|
|
627
|
[H]/N=c/n(c(c(s1)C#N)N)c2ccccc2
|
|
628
|
CCN1CC(=O)N=C1NCCc2cccc(c2)Cl
|
|
629
|
c1c[nH]nc1C(=O)NC2CC2
|
|
630
|
COC(=O)c1ncn(n1)CN2CCC[C@@H]2c3cccs3
|
|
631
|
c1ccc(cc1)c2nn(c(=O)o2)CN3CCOCC3
|
|
632
|
Cc1cc(n(n1)c2c(c([nH]n2)C)N)C
|
|
633
|
c1ccc(cc1)n2ncc(n2)Cn3cnc(n3)C#N
|
|
634
|
CCCCn1c(nnn1)Cn2cnc(n2)C#N
|
|
635
|
c1ccnc(c1)SCc2c(snn2)Cl
|
|
636
|
CN1CC(CN1)NS(=O)(=O)C2CCCS2
|
|
637
|
C1c2c([nH]c(=O)[nH]c2=O)C(=O)O1
|
|
638
|
c1ccc(cc1)OC2=CC(=O)OC23CCCCC3
|
|
639
|
c1ccc(cc1)[C@@H]2C3=C(CCCC3)C(=O)O2
|
|
640
|
c1cc(cnc1)CNCCc2ccco2
|
|
641
|
CCOC(=O)c1c(snn1)Sc2[nH]c(cn2)C
|
|
642
|
Cc1ccc(cc1)S(=O)(=O)Oc2nc(cc(n2)C)C
|
|
643
|
|
|
644
|
Cn1c(nnc1SCc2ccccc2)c3ccc(cc3)O
|
|
645
|
COc1ccccc1C/C=C/c2cccs2
|
|
646
|
c1ccc2c(c1)c3ccc(nc3[nH]2)N
|
|
647
|
CNC2CCC(CC2[NH]/C1=NC(=O)C3NC([NH]N3)[O-])CL
|
|
648
|
c1ccc(c(c1)Cn2c3c(cccn3)c(n2)c4ccco4)F
|
|
649
|
CCSc1nnc(o1)c2c(nc3n2ccs3)C
|
|
650
|
CN(C)C1=NS(=O)(=O)N=C(O1)N(C)c2ccccc2
|
|
651
|
CC(=CCC/C(=C/CO)/C)C
|
|
652
|
CCS(=O)(=O)N1CCC[C@@H](C1)C(=O)Oc2cccnc2
|
|
653
|
CCNc1nc(nc(n1)Sc2ccc(cc2)C(=O)OC)N
|
|
654
|
c1ccc(c(c1)C2=Nc3cncnc3NC2)N
|
|
655
|
CN(Cc1ccco1)Cc2nnnn2C3CC3
|
|
656
|
CC1=NC(=C[C@@H](N1)c2ccccc2)C(F)(F)F
|
|
657
|
c1ccc(cc1)CNc2ccnc(n2)n3cnc4c3cncc4
|
|
658
|
c1ccc2c(c1)nnn2Cn3cccc3
|
|
659
|
c1ccc(cc1)CNn2cnnn2
|
|
660
|
C[S@@](=NC(=O)c1ccccc1)(=O)c2ccsc2
|
|
661
|
CCOC(=O)N1CCC2C([NH]OC2=O)CC1
|
|
662
|
COC(=O)NS(=O)(=O)C1CCCO1
|
|
663
|
Cn1c(ccn1)/C=C/c2ncc(s2)C(=O)OC
|
|
664
|
c1ccc(cc1)Sc2cnns2
|
|
665
|
c1cc(oc1)CSc2nccs2
|
|
666
|
CS(=O)(=O)NC1=NCN(CN1)C2CC2
|
|
667
|
c1cc(cnc1)COC(=O)n2ccnc2
|
|
668
|
c1cc(oc1)C(=O)NCCc2c[nH]cn2
|
|
669
|
CCC(=O)N/C=C/c1ccccc1
|
|
670
|
COC(=O)/C=C/C(=O)N2c3ccccc3[N-]C2=N1
|
|
671
|
Cc1nccc(n1)Sc2ccccc2
|
|
672
|
c1ccc2c(c1)NC3(S2)NC(=O)C(=O)C(=O)N3
|
|
673
|
c1ccc2c(c1)ncc(n2)NCc3ccoc3
|
|
674
|
|
|
675
|
c1ccc(cc1)CNc2c(non2)O
|
|
676
|
c1cc(cnc1)C2=Nc3c(nc([nH]c3=O)N)C2
|
|
677
|
Cn1c(nnn1)SCc2cnc(s2)c3ccccc3
|
|
678
|
CS(=O)(=O)NCCOc1ccccc1
|
|
679
|
C1CCC(CC1)[C@@H]2CC(=O)N3CNNC3S2
|
|
680
|
Cc1cc(no1)CSc2nncs2
|
|
681
|
CC(C)Oc1cccc(c1)C(=O)Oc2nnnn2C
|
|
682
|
C[C@@H]1CCCN(C1)C(=O)c2c(c(ns2)c3ccccn3)N
|
|
683
|
c1ccc(cc1)SCn2cncn2
|
|
684
|
[H]/N=c/n(ccs1)Cc2ccccc2
|
|
685
|
CCn1cc(cn1)c2ccno2
|
|
686
|
c1cc(cnc1)CCc2c[nH+]c[nH]2
|
|
687
|
Cc1ccc(cc1)c2cn[nH]n2
|
|
688
|
C=CCNC(=O)c1ccco1
|
|
689
|
Cc1nccn1C(=O)c2cccs2
|
|
690
|
Cc1nc(on1)Cc2c[nH]c3c2cccc3
|
|
691
|
Cc1nc(no1)Cc2[nH]c3ccccc3n2
|
|
692
|
CC1NC([NH]N1)SCCN2CCCN2
|
|
693
|
CCOC(=O)c1c(c2c([nH]1)cccc2F)N
|
|
694
|
|
|
695
|
c1ccc2c(c1)cc(o2)C(=O)/C=C/c4ccccc4N=CN3
|
|
696
|
CC(C)(C)OC(=O)N[C@@H]1C[C@@H](C=C1)O
|
|
697
|
c1ccc2c(c1)nnn2/C=C/c3ccc[nH]3
|
|
698
|
CC1=N[C@H](C(=O)C1)c2ccccc2
|
|
699
|
CC1NC2C(CN(N2)CC3CCCCC3)C(=O)O1
|
|
700
|
c1ccc(cc1)NC2=NC(=O)CC(=N2)[O-]
|
|
701
|
c1ccc2c(c1)CCNC(=O)C(=O)N2
|
|
702
|
COC(=O)C[C@@H]1Cn2c(ncn2)N=C1O
|
|
703
|
c1ccc2c(c1)CCc3c(cc(cc3O2)N)N
|
|
704
|
Cc1nnc(o1)c2c(oc(n2)c3ccccc3)N
|
|
705
|
|
|
706
|
CCNC(=O)NC1=NC(=O)[C@@H](O1)C(C)C
|
|
707
|
Cc1c(c(n[nH]1)n2ccnc2)N
|
|
708
|
CCOc1cnc(o1)c2c(onc2c3ccccc3Cl)C
|
|
709
|
Cc1nc(cs1)/C=C/c2cccnc2
|
|
710
|
c1ccc2c(c1)c(c[nH]2)c3nn4cnnc4s3
|
|
711
|
c1ccc2c(c1)CNc3ccccc3O2
|
|
712
|
|
|
713
|
C1CCC(CC1)C(=O)NN2CCNN2
|
|
714
|
CCC(=O)CC/C=C/C#CC#CC#CC
|
|
715
|
c1ccc(cc1)[C@@H]2CCCn3c2cc4c3cccc4
|
|
716
|
c1ccc2c(c1)c3c([nH]2)CCC3
|
|
717
|
c1ccc(cc1)c2nnn(n2)Cn3ccc(n3)C(=O)[O-]
|
|
718
|
CCOC1CCCC2N1CNN2
|
|
719
|
C1CCC2C(C1)N[C@@H]3CCN2C3
|
|
720
|
CC1=NC[C@@H](O1)c2ccccc2
|
|
721
|
Cn1c(ncn1)COc2cccc(n2)Cl
|
|
722
|
c1cc(ccc1C2=C(N=CC2)c3ccncc3)F
|
|
723
|
C[C@@H]1Cc2nc(cc(=O)n2N1c3ccccc3)[O-]
|
|
724
|
c1cc(cc(c1)F)n2ccc(n2)Cn3cnc(n3)C#N
|
|
725
|
CCOC(=O)N/C=CNC(=O)OCC
|
|
726
|
c1ccc(cc1)NCc2ccco2
|
|
727
|
CCOC(=O)c1c(c(c([nH]1)c2c(nc3ccccc3n2)C)C#N)N
|
|
728
|
Cn1c(ccn1)C(=O)Nn2cnnc2
|
|
729
|
C1CCC2C(C1)CC3=NC(=O)N=C23
|
|
730
|
c1ccc(cc1)CN2C=CCCC2=O
|
|
731
|
Cc1nnc(o1)COC(=O)c2c(nccn2)N
|
|
732
|
CC(=O)O[C@H]1C[C@@H]2C=C[C@](C1)(O2)CN(C)C(=O)OC
|
|
733
|
c1ccc(cc1)OCCn2ccnc2
|
|
734
|
c1ccc(cc1)COc2c(nccn2)N
|
|
735
|
|
|
736
|
Cc1ccc(cc1)Nc2c([nH]c(=O)n2N)O
|
|
737
|
CC[C@@H](C(=O)/N=C/1N=CN=N1)Oc2ccccc2
|
|
738
|
CC1=C[C@@H](CC(=O)N1)c2ccco2
|
|
739
|
Cc1cc(nc(n1)n2c(cc(n2)c3ccco3)N)C
|
|
740
|
c1cc(sc1)c2nc(co2)Cn3cc(cn3)Cl
|
|
741
|
c1cc(ccc1NC(=O)Cc2ncon2)F
|
|
742
|
Cc1c2cc(cnc2on1)S(=O)(=O)[N-]c3cccnc3
|
|
743
|
c1c(c2c([nH]1)ncnc2N3CCc4c([nH+]c[nH]4)C3)Cl
|
|
744
|
CC1=CC(=O)N=C2C1=C([C@H](S2)C(=O)OC)N
|
|
745
|
C1CSC2N1CC(N2)CN3CNC(N3)C#N
|
|
746
|
CC(C)NC(=O)CSc1cnnn1c2ccccc2F
|
|
747
|
Cc1nc-2n(n1)CC(=Nc3c2cccc3)O
|
|
748
|
c1ccc(c(c1)c2[nH]nc(n2)/C=C/c3ccco3)N
|
|
749
|
c1cc(ccc1C(=O)[O-])/N=N/SCCO
|
|
750
|
Cc1c(nccn1)c2ccn[nH]2
|
|
751
|
Cc1ccc(cc1)S(=O)(=O)[N-]c2cc([nH]n2)C
|
|
752
|
CCS(=O)(=O)NCc1nnc(o1)C
|
|
753
|
C1CC[C@@H]2[C@@H](C1)NC(=O)C(=N2)CCC(=O)[O-]
|
|
754
|
Cc1cc(on1)CCCOc2ccc(cn2)C#N
|
|
755
|
c1cnccc1c2cc3c([nH]2)CNC3=O
|
|
756
|
c1ccc2c(c1)Cc3c(ccs3)C=C2
|
|
757
|
c1ccc2c(c1)CCN(C2)C(=O)/N=c/[nH]c(n[nH]3)c4ccco4
|
|
758
|
C/C(=C/CO)/C#CCN1CCCC1
|
|
759
|
c1nc([nH]n1)n2c(c(nn2)CO)CO
|
|
760
|
COC(=O)CCCC1CCC(=O)N2C1NCCC2
|
|
761
|
CC(C)Oc1c(c(=O)c1=O)c2ccco2
|
|
762
|
Cc1cc(no1)CS(=O)(=O)NC
|
|
763
|
CC1(C(=CC(=O)O1)SC2CCCCC2)C
|
|
764
|
c1ccc(cc1)COn2ccnc2
|
|
765
|
Cc1ccc(cc1)c2ncc(o2)Sc3ccccc3
|
|
766
|
c1ccc(cc1)Sc2ccc(nn2)[O-]
|
|
767
|
c1cc(ccc1C[C@@H]2C(=NC(=NC2=O)O)O)F
|
|
768
|
CCO[C@@H]1C[C@@H](C=CO1)c2ccccc2
|
|
769
|
c1ccc(cc1)OCC(=O)Nc2[n-]nnn2
|
|
770
|
c1ccc2c(c1)nn(n2)Cc3ccco3
|
|
771
|
Cc1c(c(n(n1)C)Sc2ccccn2)N
|
|
772
|
c1cc(oc1)C(=O)Nc2nc[nH]n2
|
|
773
|
C[C@@H](n1ccnc1)OCc2ccc(cc2)F
|
|
774
|
Cc1nn(c(=O)o1)c2cc(ccn2)C(F)(F)F
|
|
775
|
C1CCC2C(C1)[C@@H]3CC[C@H]2NC3=O
|
|
776
|
COCCCNC(=O)c1c(=O)c2ccccc2sc1N
|
|
777
|
Cc1ccc(cc1)c2c(c(=O)c2=O)NCCOC
|
|
778
|
Cc1ccc(cc1)NC(=O)[C@@H]2CC(=O)n3cnnc3N2
|
|
779
|
c1ccc(cc1)NC[C@@H]2COCO2
|
|
780
|
c1ccc2c(c1)c(ns2)NCc3cccs3
|
|
781
|
c1cc(oc1)OC(=O)[C@@H]2C[C@H]3C[C@@H]2C=C3
|
|
782
|
c1cc([nH]c1)C(=O)c2ccc[nH]2
|
|
783
|
c1ccc2c(c1)n3cnnc3s2
|
|
784
|
C1CCC2C(C1)-C3C(CN[NH]3)CCS2
|
|
785
|
CCc1nc(c(o1)C(=O)NCCSc2[nH]ncn2)C
|
|
786
|
Cc1cc([nH]n1)NC(=O)c2cccc(c2)Cl
|
|
787
|
c1ccc(c(c1)C(=O)[C@@H]2C(=NN=N2)C(F)(F)F)O
|
|
788
|
CC(=O)c1ccc2=c3cc(ccc3=c2c1)C(=O)C
|
|
789
|
Cc1c(n2c(c1C(=O)NCc3ccccc3)NC(=O)CC2)C
|
|
790
|
|
|
791
|
c1ccc(cc1)CO[C@@H]2C=CC=CO2
|
|
792
|
COC(=O)c1cc2cc(oc2[nH]1)C#N
|
|
793
|
CCOC(=O)CC/C=C/C#C
|
|
794
|
CCC/N=c/1c(c(c1=N/CCC)O)O
|
|
795
|
c1ccc(cc1)S(=O)(=O)N2CCOC2=O
|
|
796
|
CCO/C=C/[C@@](CNC(=O)C1CC1)(C(F)(F)F)O
|
|
797
|
CCOC1NNC(S1)CSC2CCCCN2
|
|
798
|
c1ccnc(c1)n[nH]/c2=NC(=O)c3ccc(o3)Cl
|
|
799
|
C1CC(=O)O[C@@H]1c2nc(c(o2)N)C#N
|
|
800
|
C=CCNc1c(c(c(o1)C(=O)c2ccccc2)N)C#N
|
|
801
|
c1ccc2c(c1)-c3c(cc(s3)C(=O)[O-])CO2
|
|
802
|
c1ccc(cc1)CNc2ncco2
|
|
803
|
c1cnc(nc1)N2CCC[C@@H](C2)Cn3cc(nn3)CO
|
|
804
|
Cc1c(c(=O)cco1)OS(=O)(=O)c2ccccc2
|
|
805
|
c1ccc(cc1)C(=O)NCn2cccnc2=O
|
|
806
|
CC(=O)[C@@H]1O[C@@H]2C=C3CCC=CC3=C[C@@H]2O1
|
|
807
|
Cc1[nH]c(c[nH+]1)c2ccnc(n2)SC
|
|
808
|
|
|
809
|
CC(C)(C)OC(=O)NCCc1nc2cnccc2o1
|
|
810
|
Cc1cc(nn1C)c2nnc(s2)NC
|
|
811
|
c1cc(oc1)CNC(=O)CSc2[nH]ncn2
|
|
812
|
c1ccc(c(c1)C(=O)c2cc([nH]c2)c3ccccn3)O
|
|
813
|
CCOC(=O)c1[nH]nc(n1)N
|
|
814
|
Cc1cc(c(n1C)C)C(=O)COn2c3cc(ccc3nn2)Cl
|
|
815
|
c1ccc(cc1)C(=O)Nn2cccc2
|
|
816
|
c1ccc(cc1)SCN2CCOCC2
|
|
817
|
c1ccc(cc1)N2[C@H]3C[C@@H]4[C@@H]2[C@@H](CC3=O)c5c4cccc5
|
|
818
|
c1(c(n[nH]n1)Cl)c2nc([n-]n2)Cl
|
|
819
|
c1ccc(cc1)Cc2c(nccn2)N
|
|
820
|
c1ccc2c(c1)c(cc(=O)o2)Sc3ccccn3
|
|
821
|
c1ccc2c(c1)NC(N2)[C@@H]3CCC=CO3
|
|
822
|
Cc1nc2ccccc2c3n1nc(n3)n4cnnn4
|
|
823
|
c1cocc1C(=O)OCc2nc(nc(n2)N)N
|
|
824
|
c1cc(sc1)C2=CC[C@@H](C(=O)N2)C#N
|
|
825
|
C1CC([NH]C1)C(=O)OCC#N
|
|
826
|
c1ccc(cc1)[C@@H]2CC(=O)NC2
|
|
827
|
|
|
828
|
C1C(C(NCN1)N)CCC2OCCO2
|
|
829
|
c1ccn2cc(nc2c1)Cn3cc(cn3)N
|
|
830
|
C=CCn1cc(ccc1=O)c2ccco2
|
|
831
|
CN1CC(=C(C1=O)O)c2ccc(cn2)Cc3ccc(cc3)F
|
|
832
|
CN(C)c1nc(nc(n1)N)Cn2c(=O)c3ccccc3cn2
|
|
833
|
c1cc2c(cc1F)C(=O)NC2
|
|
834
|
Cc1cc(n(n1)Cc2nnc(o2)SC)C
|
|
835
|
c1ccc(cc1)C2=CC=C(C2)c3ccccc3
|
|
836
|
Cc1cc(c(o1)C)c2csc(n2)NC(=O)C
|
|
837
|
COC(=O)c1cc2c(o1)Sc3ccccc3NC2=O
|
|
838
|
Cc1cc(n(n1)CCOc2c(non2)N)C
|
|
839
|
c1cc(oc1)c2cc(no2)CO
|
|
840
|
CSc1nccc(n1)Sc2cn[nH]n2
|
|
841
|
Cc1c(snn1)C(=O)NCc2nc(no2)C
|
|
842
|
CCOC(=O)C1=C(O[C@@H](C1)C2CCCCC2)N
|
|
843
|
Cc1ccc(c(c1)C(=O)c2cnn(c2)c3ncccn3)O
|
|
844
|
C1CSCC1C2[NH]NC(N2)C3CCSC3
|
|
845
|
c1ccc(cc1)COC(=O)Nc2ccc(=O)[nH]n2
|
|
846
|
CCc1n[nH]c(=O)n1CCOc2ccccc2
|
|
847
|
Cn1ccnc1NCc2ccco2
|
|
848
|
C=CCNc1cn[nH]c(=O)n1
|
|
849
|
C[C@@H]1CCCC[C@@H]1NC(=O)COc2cnc(nc2)c3ccccc3
|
|
850
|
c1csc2c1n3cn[nH]c(=O)c3c2
|
|
851
|
c1ccc(cc1)[C@@H]2COC(=O)CN2
|
|
852
|
c1ccc(cc1)NCc2cscn2
|
|
853
|
c1ccn(c1)Cc2cccs2
|
|
854
|
CS(=O)(=O)N[C@@H]1CCc2c1cccc2
|
|
855
|
CS(=O)(=O)NC1=NCN(CN1)Cc2ccccn2
|
|
856
|
c1ccc(cc1)NCn2cncn2
|
|
857
|
C[C@@H](Cc1nc(on1)C(=O)[O-])n2cccn2
|
|
858
|
c1ccn(c1)c2ccsc2CO
|
|
859
|
Cc1ccc(o1)[C@@]2(CCNC(=O)O2)C(F)(F)F
|
|
860
|
c1ccc(cc1)SN2CCCCCC2=O
|
|
861
|
c1ccc(cc1)CC2=CC(=O)[C@H](C=N2)[O-]
|
|
862
|
|
|
863
|
c1ccc(cc1)C[C@H]2C(=O)COC2=O
|
|
864
|
CCCc1nnc(o1)NS(=O)(=O)c2ccc(cc2)C
|
|
865
|
CCOC(=O)[C@@H]1c2c(c(c([nH]2)C)C)S[C@@H]1C
|
|
866
|
c1ccc2c(c1)[nH]c(n2)n3cnnc3
|
|
867
|
c1cc(oc1)CNc2nccs2
|
|
868
|
c1cc(oc1)Cn2c(ccn2)N
|
|
869
|
CC(=O)N[C@@H]1Cc2c1cccc2
|
|
870
|
c1ccc-2c(c1)CCc3c2cn[nH]3
|
|
871
|
Cc1ccccc1n2cc[nH]c(=O)c2=O
|
|
872
|
Cc1c(sc(n1)C)S(=O)(=O)N2CCCCC2
|
|
873
|
c1ccc(cc1)S(=O)(=O)Nc2nncs2
|
|
874
|
c1ccc(cc1)c2cc([nH]n2)n3cnc4c3cccc4
|
|
875
|
C1CCC2C(C1)C=C[C@@H]3[C@H]2[C@@H]4CCCC[C@@H]4O3
|
|
876
|
C[C@]1(c2ccccc2O[C@H]1n3c4ccccc4nn3)CO
|
|
877
|
CCCCN1[C@@H](C(=C(C1=O)C)C)Sc2ccc(cc2)OC
|
|
878
|
Cc1ccc(cn1)Oc2nc3ccccc3o2
|
|
879
|
C[C@@H](c1nc2ccccc2o1)n3c4ccccc4nn3
|
|
880
|
CC(C)(/C=C/C#CC(C)(C)O)O
|
|
881
|
c1cc(cc(c1)C(=O)NCCc2cn3c(n2)CCCC3)C#N
|
|
882
|
c1ccnc(c1)n2ccnc2C(=O)c3ccco3
|
|
883
|
C(CC#CC(=O)N)CC#CC(=O)N
|
|
884
|
Cc1cc(nc(n1)Cc2ccccc2)Nc3[n-]nnn3
|
|
885
|
c1ccc(cc1)CNc2cnoc2
|
|
886
|
Cc1c(c(n[nH]1)C)Sc2[nH]ncn2
|
|
887
|
c1ccc(cc1)S(=O)(=O)[N-]c2ncccn2
|
|
888
|
Cc1[nH]nc(n1)c2ccccc2
|
|
889
|
c1ccc(cc1)c2cnn3c2NC(=O)[C@@H](C3)CC(=O)[O-]
|
|
890
|
c1ccc(cc1)NC(=O)OCc2cncs2
|
|
891
|
c1ccc(cc1)c2cncnc2
|
|
892
|
CCCCc1[nH]cc([nH+]1)CO
|
|
893
|
c1ccc2c(c1)NCCCS2
|
|
894
|
c1ccc(c(c1)C2=NCCN=C(C2)C(=O)[O-])O
|
|
895
|
c1nc2c(c(n1)N)N=C[C@H]2[C@@H]3[C@@H]([C@H]([C@@H](O3)CO)O)O
|
|
896
|
c1ccc2c(c1)nnn2Cc3csnn3
|
|
897
|
C(CC#CC#CCCCO)CO
|
|
898
|
Cc1cc(n(n1)Cn2ccccc2=O)C
|
|
899
|
CCCCO[C@@H](C)n1cnnc1
|
|
900
|
c1ccc(cc1)[C@@H]2CC(=C(O2)N)c3nc4ccccc4s3
|
|
901
|
c1ccc(cc1)S(=O)(=O)CC2=Nc3cccn3C2=O
|
|
902
|
c1c(nc(s1)c2nc[nH]n2)C(=O)[O-]
|
|
903
|
CC1CCC(CC1)[S@@](=O)C2=CCCO2
|
|
904
|
c1cnn(c1)Cc2nn3c(nnc3s2)C4CC4
|
|
905
|
c1ccc(cc1)c2cc(no2)C(=O)[C@@H](C#N)c3ccccn3
|
|
906
|
Cc1cc(cc(=O)o1)N2CCCCC2
|
|
907
|
c1c(cncc1Cl)OC(=O)C2=NC=CC2
|
|
908
|
c1cc(sc1)Sc2nc(ns2)Cl
|
|
909
|
c1ccc(cc1)n2cc(cn2)CSc3nncs3
|
|
910
|
C1[C@H]2[C@H]3CO[C@@H]([C@@H]1NC(=O)N2)O3
|
|
911
|
c1ccc(cc1)C2=N[C@@H]3N(C2)c4ccc(cc4S3)C(=O)[O-]
|
|
912
|
Cn1c(nnn1)Sc2cccc(c2C#N)F
|
|
913
|
C1C[NH]C2C1C(=O)CCNC2=O
|
|
914
|
CC(=O)Nc1cc2c(s1)C3(CCCCC3)CC(=O)N2
|
|
915
|
Cc1cc(on1)[C@@H]2CCCN2Cc3nnc(o3)C
|
|
916
|
c1ccc(cc1)CCN2CC3=C(CCCC3=O)NC2
|
|
917
|
c1cc2c(cc1Nc3nnc(o3)c4ccn[nH]4)OCO2
|
|
918
|
|
|
919
|
Cc1cc(no1)[C@@H]2CCCN2c3ncccn3
|
|
920
|
c1cc(oc1)C(=O)NC/C(=N/c2[nH]ncn2)/[O-]
|
|
921
|
CCc1c(ccc(n1)C)OCc2[nH]c3cnccc3[nH+]2
|
|
922
|
Cc1cc(nc2n1nnc2SCC(=O)c3ccc(cc3)F)[O-]
|
|
923
|
c1c[nH]c2c1ncc(n2)Cl
|
|
924
|
c1cc(c2c(c1)OC(O2)(F)F)c3c[nH]cc3C#N
|
|
925
|
c1ccc2c(c1)CC(=O)c3cccn3C2
|
|
926
|
c1ccn(c1)c2ccc(nc2)Oc3cc(cnc3)Cl
|
|
927
|
CN(C/C(=N/c1[nH]ncn1)/[O-])c2ccccc2
|
|
928
|
c1ccc2c(c1)NCCC(=N2)c3ccco3
|
|
929
|
CN(c1ccccc1)c2ccc(s2)OC
|
|
930
|
CC1=C(c2ccccc2C1)Sc3ccccc3
|
|
931
|
COC1=C(C(=O)O[C@@H]2[C@@H]1C=CC=C2)Cc3ccccc3
|
|
932
|
CC(=O)OC1=N[C@@H](C(C[C@@]1(C)Cl)(Cl)Cl)O
|
|
933
|
Cc1cc(oc(=O)c1NC(=O)c2cnccn2)c3ccco3
|
|
934
|
Cc1cc(no1)CSc2nc(c(o2)C)C
|
|
935
|
C1CC(=CC[C@@H]1CC(=O)[O-])c2nc(on2)C3CC3
|
|
936
|
Cc1cccn2c1nc(c2c3nnc(n3C)SCC=C)C
|
|
937
|
Cc1c(n2c(c1C#N)NCC2)C
|
|
938
|
Cc1cc(sn1)NS(=O)(=O)c2ccc(cc2)N
|
|
939
|
CC(=O)N1CCC=C1Cc2ccccc2
|
|
940
|
C=CCNS(=O)(=O)c1nc[nH]n1
|
|
941
|
Cc1cccc(n1)C#CCSc2ccccc2
|
|
942
|
c1ccc(c(c1)C(=O)C2=C[C@H](C(=O)N=C2)C#N)O
|
|
943
|
C1CCC(CC1)COC(=O)N2C[C@@H]3CC[C@H]2CC(=O)O3
|
|
944
|
C1CCO[C@@H](C1)OC2=CCC=CC2
|
|
945
|
c1cc2c(c(c1)OCc3ccon3)CCCC2
|
|
946
|
COC(=O)c1c(c2ccccc2[nH]1)n3cnnn3
|
|
947
|
Cc1ccc(n1Cc2ccco2)C
|
|
948
|
CC/C(=C/1N=C(C(=O)O1)OC)/C2CCCCC2
|
|
949
|
c1ccc(cc1)c2c(cno2)c3nnnn3c4ccccc4
|
|
950
|
c1cc(oc1)C(=O)c2cccs2
|
|
951
|
C=CCC(CC=C)(CC=C)O
|
|
952
|
Cc1nc(on1)CNC(=O)C
|
|
953
|
Cc1cc-2n(n1)[C@@H](Nc3c2cccc3)c4cccnc4
|
|
954
|
Cc1cc(n[nH]1)[N-]S(=O)(=O)c2cccs2
|
|
955
|
C[C@@H](c1cccs1)NC2=NC(=O)CN2C
|
|
956
|
c1cc(oc1)/C=C/CNc2ccc(c(c2)Cl)F
|
|
957
|
c1ccc(cc1)Nn2cncn2
|
|
958
|
c1cc(sc1)CCn2cnc(n2)C#N
|
|
959
|
Cc1nc(cs1)C/C(=N/c2[nH]ncn2)/[O-]
|
|
960
|
c1cc(ccc1Oc2nc(ns2)Cl)F
|
|
961
|
[H]/N=c/nc(ss1)Oc2ccccc2
|
|
962
|
COC(=O)c1c(ccs1)Oc2ncccn2
|
|
963
|
c1cc(oc1)Cn2c(=O)ccc(n2)C(=O)[O-]
|
|
964
|
Cn1ccnc1CN(C)CCCOc2ccccc2
|
|
965
|
c1ccc(cc1)CSC2=Nc3ccc(cc3C(=O)[C@H]2C#N)F
|
|
966
|
Cc1cc(no1)C(=O)Nc2cccc(c2)c3[n-]nnn3
|
|
967
|
Cc1cnc(o1)CN2CCc3c2cccc3
|
|
968
|
Cc1cc(=O)[nH]c2c1CCO2
|
|
969
|
c1ccc(cc1)NC2=CC(=O)OC2
|
|
970
|
Cc1cc([nH]n1)OCCC#N
|
|
971
|
Cc1cc2c(c(nn2C)C)c(=O)n1Nc3ccccc3
|
|
972
|
C/C=C/[C@@H]1OC[C@H](O1)c2ccccc2
|
|
973
|
Cc1c(n2ccccc2n1)Sc3ccccc3
|
|
974
|
C1CCN(C(=O)C1)[C@@H]2C[C@@H]([C@@H](O2)CO)O
|
|
975
|
c1cc2c(nc1)NC3(N2)CCCCC3
|
|
976
|
[H]/N=c/c(c(n(s1)CC=C)N)C#N
|
|
977
|
C1CCC2C(C1)N[C@@H](S2)C3CCC[NH]3
|
|
978
|
CCOc1ccc(cc1)NCC2=CCNC=C2
|
|
979
|
c1cc2cccc3c2c(c1)C(=O)N3
|
|
980
|
c1ccc(c(c1)C(=O)c2cnoc2)O
|
|
981
|
c1ccc2c(c1)nnn2CNn3cnnc3
|
|
982
|
CC1=C[C@@H](n2c(ncn2)N1)c3ccccc3F
|
|
983
|
Cc1nnc(o1)CSc2ccccn2
|
|
984
|
CCSc1nncn1Cc2ccco2
|
|
985
|
C[C@@]12CC(=N[C@@H]1NC(=O)C2)c3ccccc3O
|
|
986
|
C1CN(NC1C(=O)N)[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O
|
|
987
|
C[C@@H]([C@@H]1[C@@H]2CCOC3(N2C1=O)CCCCC3)O
|
|
988
|
CCNc1nnc(s1)Sc2ccc3nnnn3n2
|
|
989
|
CC1(C=Cc2ccccc2N1)C
|
|
990
|
Cc1nc(n(n1)C(=O)c2cccs2)C
|
|
991
|
c1ccc(cc1)CCn2cnnn2
|
|
992
|
COc1ccc(c(c1)O)c2c(cn[nH]2)c3ccccc3OC
|
|
993
|
c1cnn(c1)CCSc2nncs2
|
|
994
|
C1CC(OC1)CNC2=NCCO2
|
|
995
|
c1cc(cc(c1)C(F)(F)F)c2ccc(o2)c3csnn3
|
|
996
|
Cc1c(cc(c(n1)C)C(=O)C)c2ccnc(n2)N3CCCC3
|
|
997
|
c1csc2n1cc(n2)Cc3nnc4n3CCC4
|
|
998
|
CCSc1nnc(s1)NC(=O)c2ccc3c(c2)nc[nH]3
|
|
999
|
CCS(=O)(=O)Nc1ccn(n1)C
|
|
1000
|
C1C(NNN1[C@@H]2[C@H]([C@@H]([C@@H](O2)CO)O)O)C(=O)N
|
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