smiles
string | exp_mean [nM]
float64 | y
float64 | cliff_mol
int64 | activity_value
float64 | protein_sequence
null | chembl_id
string | task
string | __index_level_0__
int64 |
|---|---|---|---|---|---|---|---|---|
CSc1nc(NCc2ccccc2Cl)c2cnn(CC(Cl)c3ccccc3)c2n1
| 89.5
| -1.951823
| 1
| 7.048177
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 130
|
CCSc1nc(NCCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
| 130
| -2.113943
| 1
| 6.886057
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 132
|
CSc1nc(NCCc2cccc(F)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
| 230
| -2.361728
| 1
| 6.638272
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 133
|
Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NCc3cccc(N)c3)nc21
| 60
| -1.778151
| 1
| 7.221849
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 135
|
Cn1c(=O)c(-c2ccccc2Br)cc2cnc(NCc3cccc(N)c3)nc21
| 40
| -1.60206
| 1
| 7.39794
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 138
|
CSc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
| 70
| -1.845098
| 1
| 7.154902
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 139
|
CCCCCCNc1cccc(CNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
| 900
| -2.954243
| 0
| 6.045757
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 140
|
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccc(NC(=O)CN)c3)nc21
| 20
| -1.30103
| 1
| 7.69897
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 141
|
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCc3cccc(C(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@H]45)c3)nc21
| 20
| -1.30103
| 0
| 7.69897
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 142
|
CSc1cccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)c1
| 0.2
| 0.69897
| 1
| 9.69897
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 143
|
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(NC(=O)CN)c3)nc21
| 0.02
| 1.69897
| 1
| 10.69897
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 145
|
Clc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1
| 390
| -2.591065
| 0
| 6.408935
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 146
|
CCCNc1nc(SCCN2CCOCC2)nc2c1cnn2CC(Cl)c1ccccc1
| 340
| -2.531479
| 0
| 6.468521
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 147
|
ClC(Cn1ncc2c(NCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1
| 90
| -1.954243
| 0
| 7.045757
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 148
|
Fc1ccc(CNc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)cc1
| 580
| -2.763428
| 0
| 6.236572
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 149
|
ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1
| 270
| -2.431364
| 0
| 6.568636
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 150
|
Clc1cccc(Nc2nc(SCCN3CCOCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1
| 120
| -2.079181
| 0
| 6.920819
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 151
|
ClC(Cn1ncc2c(Nc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1
| 150
| -2.176091
| 0
| 6.823909
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 152
|
Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1
| 1,600
| -3.20412
| 1
| 5.79588
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 153
|
Fc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1
| 2,100
| -3.322219
| 1
| 5.677781
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 154
|
Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccncc4)ncnc32)cc1
| 660
| -2.819544
| 1
| 6.180456
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 155
|
Clc1ccc(C(Cl)Cn2ncc3c(NCc4ccccn4)ncnc32)cc1
| 1,200
| -3.079181
| 1
| 5.920819
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 156
|
CS(=O)(=O)c1nc(NCc2ccccc2)c2cnn(CC(Cl)c3ccccc3)c2n1
| 2,000
| -3.30103
| 0
| 5.69897
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 157
|
CCCNc1nc(S(C)(=O)=O)nc2c1cnn2/C=C\c1ccccc1
| 720
| -2.857332
| 0
| 6.142668
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 158
|
OCCNc1nc(NCCc2ccccc2)c2cnn(/C=C\c3ccccc3)c2n1
| 220
| -2.342423
| 0
| 6.657577
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 159
|
CSc1nc(NCc2ccccc2F)c2cnn(CC(C)c3ccccc3)c2n1
| 1,000
| -3
| 1
| 6
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 160
|
CSc1nc(NCc2ccc(F)cc2)c2cnn(CC(C)c3ccccc3)c2n1
| 1,860
| -3.269513
| 1
| 5.730487
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 161
|
CSc1nc(NCc2ccccc2Cl)c2cnn(CC(C)c3ccccc3)c2n1
| 770
| -2.886491
| 0
| 6.113509
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 162
|
CSc1nc(Nc2cccc(Br)c2)c2cnn(CC(C)c3ccccc3)c2n1
| 1,070
| -3.029384
| 1
| 5.970616
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 163
|
Fc1cccc(CNc2ncnc3c2cnn3CCc2ccccc2)c1
| 4,920
| -3.691965
| 1
| 5.308035
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 164
|
CSc1nc(NCc2cccc(Br)c2)c2cnn(CC(Cl)c3ccccc3)c2n1
| 64
| -1.80618
| 1
| 7.19382
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 165
|
Nc1nc(Nc2ccc([C@H]3CC[C@H](N4CCOCC4)CC3)cc2)nn1-c1ccccn1
| 400
| -2.60206
| 0
| 6.39794
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 167
|
N#CCOc1ccc(Nc2nc(Nc3cccc(S(N)(=O)=O)c3)ncc2Br)cc1
| 100
| -2
| 0
| 7
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 168
|
CCCn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5cccc(F)c5)cc4)csc23)cn1
| 1.259
| -0.100026
| 1
| 8.899974
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 169
|
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12
| 251.19
| -2.400002
| 0
| 6.599998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 170
|
NC(COc1cncc(-c2ccc3c(c2)C(=Cc2ccc[nH]2)C(=O)N3)c1)Cc1ccccc1
| 63.1
| -1.800029
| 0
| 7.199971
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 171
|
COc1ccc(-c2ccc(NC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)c2c(N)noc12
| 199.53
| -2.300008
| 0
| 6.699992
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 172
|
OC1CCC(Nc2nc(Cl)cc(-c3c[nH]c4ncccc34)n2)CC1
| 630.96
| -2.800002
| 0
| 6.199998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 173
|
c1ccc(Nc2ncnc3ccccc23)cc1
| 39,810.72
| -4.6
| 0
| 4.4
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 174
|
CN1c2ccc(N)cc2C(c2ccccc2)c2cc(N)ccc21
| 630.96
| -2.800002
| 0
| 6.199998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 175
|
CNC(=O)C(C)n1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(C)cc5)cc4)csc23)cn1
| 3.981
| -0.599992
| 0
| 8.400008
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 176
|
Nc1n[nH]c2ncc(Br)cc12
| 79,432.82
| -4.9
| 0
| 4.1
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 177
|
CCCCN(CCC#N)C(=O)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 178
|
Nc1ncnc2c1C(=O)Nc1ccccc1N2
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 180
|
Cc1ccnc(Nc2cc(C)nc(-c3ccccc3)n2)c1
| 1,000
| -3
| 0
| 6
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 181
|
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCNS(C)(=O)=O)cnc(N)c34)cc2)c1
| 79.43
| -1.899985
| 0
| 7.100015
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 182
|
Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2cc(C#N)ccc21
| 794.33
| -2.900001
| 0
| 6.099999
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 183
|
O=C1NCCc2[nH]c(-c3ccnc(C=Cc4ccccc4)c3)cc21
| 501.19
| -2.700002
| 0
| 6.299998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 184
|
O=C(O)c1csc2c1NCCNC2=O
| 63,095.73
| -4.8
| 0
| 4.2
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 185
|
Cc1ccnc2[nH]c3cc(C(C)C)ccc3c(=O)c12
| 251.19
| -2.400002
| 0
| 6.599998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 186
|
N#CCC(C1CCCC1)n1cc(-c2ncnc3[nH]ccc23)cn1
| 3,162.28
| -3.5
| 0
| 5.5
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 187
|
N#Cc1cnc2c(Br)cnn2c1N
| 79,432.82
| -4.9
| 0
| 4.1
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 188
|
C#Cc1cccc(Nc2ncnc3cc(OCCOC)c(OCCOC)cc23)c1
| 398.11
| -2.600003
| 0
| 6.399997
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 189
|
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CCO)c5)cnc(N)c34)cc2)cc1
| 0.2512
| 0.59998
| 1
| 9.59998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 190
|
COc1ccc(CN(C)C)cc1Nc1nccc(-c2c(-c3cccc(NC(=O)Cc4ccccc4)c3)nc3sccn23)n1
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 191
|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)ccn1
| 630.96
| -2.800002
| 0
| 6.199998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 192
|
Nc1ncnc2scc(-c3ccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)cc3)c12
| 31.62
| -1.499962
| 0
| 7.500038
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 193
|
Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(Cl)c4)c(F)c3)c12
| 501.19
| -2.700002
| 0
| 6.299998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 194
|
Cc1ccc(-c2cc3c(NCCN)ccc(C(N)=O)c3[nH]2)cc1
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 196
|
Cc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C(C)C(=O)N(C)C)c5)cnc(N)c34)cc2)cc1
| 25.12
| -1.40002
| 0
| 7.59998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 197
|
COC(=O)c1c(-c2ccc(NC(=O)Nc3ccccc3)cc2)c2c(N)ncnn2c1C
| 125.89
| -2.099991
| 0
| 6.900009
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 200
|
Cc1nnc(-c2ccccc2)c(C#N)n1
| 100,000
| -5
| 0
| 4
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 201
|
Cn1cc(-c2cnc(N)c3c(-c4ccc(NC(=O)Nc5ccc(OC(F)F)cc5)cc4)csc23)cn1
| 2.512
| -0.40002
| 0
| 8.59998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 202
|
Cc1ccc(Nc2nccc(N(C)c3ccc4c(C)n(C)nc4c3)n2)cc1S(N)(=O)=O
| 316.23
| -2.500003
| 0
| 6.499997
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 204
|
Nc1nccc2cnc(-c3ccccc3)n12
| 25,118.86
| -4.4
| 0
| 4.6
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 206
|
CC(C)c1cc(=O)[nH]c2[nH][nH]c(=O)c12
| 63,095.73
| -4.8
| 0
| 4.2
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 208
|
CCN(CC)CCCNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(C)c4)cc3)csc12
| 7.943
| -0.899985
| 1
| 8.100015
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 210
|
CCN1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1
| 25.12
| -1.40002
| 0
| 7.59998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 212
|
CCc1c(-c2ccc(C(C)=O)cc2)[nH]c2nccnc12
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 213
|
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3coc4c(C#CCN5CCOCC5)cnc(N)c34)cc2)c1
| 398.11
| -2.600003
| 1
| 6.399997
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 214
|
CCOc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)cc1
| 0.631
| 0.199971
| 0
| 9.199971
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 215
|
c1ccc(CNc2nc(Nc3cc(C4CC4)[nH]n3)c3sccc3n2)cc1
| 10
| -1
| 0
| 8
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 216
|
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1
| 158.49
| -2.200002
| 0
| 6.799998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 217
|
CNC(=O)C=Cc1cnc(N)c2c(-c3cc(F)c4[nH]c(C)cc4c3)csc12
| 1.995
| -0.299943
| 0
| 8.700057
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 218
|
O=c1[nH]c2cc(Br)cnc2[nH]1
| 15,848.93
| -4.2
| 0
| 4.8
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 220
|
CNC(=O)c1cnc(N)c2c(-c3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)csc12
| 0.5012
| 0.299989
| 1
| 9.299989
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 221
|
Cc1cc(Nc2nc(Cl)cc(NCc3ccccc3)n2)n[nH]1
| 794.33
| -2.900001
| 0
| 6.099999
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 222
|
NC(=O)c1cc2ccncc2s1
| 79,432.82
| -4.9
| 0
| 4.1
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 223
|
O=C(O)c1ccccc1Nc1ccnc(Nc2ccc([N+](=O)[O-])cc2)n1
| 794.33
| -2.900001
| 0
| 6.099999
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 224
|
Cc1cc(-c2ccccc2)n(-c2cc(NN=Cc3ccco3)ncn2)n1
| 501.19
| -2.700002
| 0
| 6.299998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 225
|
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCCCCCCCCN)cnc(N)c34)cc2)c1
| 125.89
| -2.099991
| 0
| 6.900009
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 226
|
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C)c5)cnc(N)c34)cc2)c1
| 1.585
| -0.200029
| 1
| 8.799971
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 227
|
COc1cc(Nc2ncnc(N3CCCc4cc(C)ccc43)n2)cc(OC)c1OC
| 1,995.26
| -3.299999
| 0
| 5.700001
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 228
|
CC(C)(C)c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1
| 158.49
| -2.200002
| 0
| 6.799998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 229
|
Nc1nnc2cncc(Cl)n12
| 25,118.86
| -4.4
| 0
| 4.6
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 232
|
S=c1[nH]nc2c3c4c(sc3n3c(=S)[nH]nc3n12)CCC4
| 79.43
| -1.899985
| 0
| 7.100015
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 233
|
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)cnn4c3N)cc2)c1
| 25.12
| -1.40002
| 0
| 7.59998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 234
|
CN(C)CC(O)COc1ccc(Nc2nccc(Nc3cc(Cl)ccc3Cl)n2)cc1
| 199.53
| -2.300008
| 0
| 6.699992
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 236
|
Nc1n[nH]c2cccc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12
| 316.23
| -2.500003
| 0
| 6.499997
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 237
|
Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(N)c23)cc1
| 251.19
| -2.400002
| 0
| 6.599998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 238
|
Cc1cc(=O)n2ccc(CN(C)C)c(O)c2n1
| 79.43
| -1.899985
| 0
| 7.100015
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 239
|
CCN(C(C)=O)c1ccc(Nc2nc(NC3CC3)c3nc[nH]c3n2)cc1
| 100
| -2
| 0
| 7
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 241
|
Cn1cc(-c2cc3nc(Br)cnc3[nH]2)c2ccccc21
| 1,258.93
| -3.100002
| 0
| 5.899998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 242
|
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(C#CCN)cnc(N)c34)cc2)c1
| 251.19
| -2.400002
| 0
| 6.599998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 243
|
CN1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1
| 100
| -2
| 0
| 7
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 244
|
CC(=O)c1cccc(-c2ccc3nccn3n2)c1
| 50,118.72
| -4.7
| 0
| 4.3
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 245
|
COc1ccccc1-c1ccnc(Nc2cccc(S(C)(=O)=O)c2)n1
| 501.19
| -2.700002
| 0
| 6.299998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 246
|
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1
| 630.96
| -2.800002
| 0
| 6.199998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 247
|
NC(=O)c1cccc(-c2cnc3[nH]cc(-c4ccccc4)c3c2)c1
| 50.12
| -1.700011
| 0
| 7.299989
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 248
|
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3c(F)ccc4[nH]nc(N)c34)cc2)c1
| 501.19
| -2.700002
| 0
| 6.299998
| null |
CHEMBL1862
|
CHEMBL1862_Ki
| 250
|
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