SMILES
stringlengths 20
123
| EC50
float64 -5
1.74
|
|---|---|
CCCc1nc2c(C(F)(F)F)cccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1
| -4.082785
|
CCCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2
| -4.176091
|
CCCCNC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O
| -3.770852
|
Cc1cccc(Nc2cc(Cl)nc(SC(C)C(=O)O)n2)c1C
| -4.113943
|
Cc1cccc(Nc2cc(Cl)nc(SC(C)(C)C(=O)O)n2)c1C
| -4.113943
|
CCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
| -4.079181
|
CCCC(Sc1nc(Cl)cc(Nc2cccc(C)c2C)n1)C(=O)O
| -3.740363
|
Cc1cccc(Nc2cc(Cl)nc(SC(C(=O)O)c3ccccc3)n2)c1C
| -4.477121
|
Cc1cccc(Nc2ccnc(SCC(=O)O)n2)c1C
| -4.556303
|
Cc1cccc(Nc2cc(Br)nc(SCC(=O)O)n2)c1C
| -4.120574
|
Cc1cccc(Nc2cc(Cl)nc(OCCC(=O)O)n2)c1C
| -4.146128
|
Cc1ccccc1Nc1cc(Cl)nc(SCC(=O)O)n1
| -4.518514
|
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1
| -4.447158
|
O=C(O)CSc1nc(Cl)cc(Nc2cccc3c2CCC3)n1
| -4.579784
|
O=C(O)CSc1nc(Cl)cc(Nc2cccc3c2CCCC3)n1
| -3.322219
|
Cc1c(Cl)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
| -4.690196
|
Cc1c(Br)ccc(Nc2cc(Cl)nc(SCC(=O)O)n2)c1C
| -4.716003
|
O=C(O)CSc1nc(Cl)cc(Nc2ccc(Cl)c3c2CCC3)n1
| -3.491362
|
CC(C)(Oc1ccc(OCCc2ccc(/N=N/c3ccccc3)cc2)cc1)C(=O)O
| -3.778151
|
CCCCc1nc(C(C)C)c(Cc2nc(C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.021189
|
CCCCc1nc(C)c(Cc2nc(C(C)(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -2.447158
|
CCCCc1nc(C(C)C)c(Cc2nc(C(C)(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -2.770852
|
CCCCc1nc(C)c(Cc2nc(C3CC3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.628389
|
CCCCc1nc(C(C)C)c(Cc2nc(C3CC3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.40654
|
CCCCc1nc(C)c(Cc2nc(Cc3ccccc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.243038
|
CCCCc1nc(C(C)C)c(Cc2nc(Cc3ccccc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.056905
|
CCCCc1nc(C)c(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.382017
|
CCCCc1nc(C(C)C)c(Cc2nc(Cc3ccc(F)cc3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.170262
|
CCCCc1nc(C)c(Cc2nc(C(C)C)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.120574
|
CCCCc1nc(C)c(Cc2nc(Cc3cccc(F)c3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.143015
|
CCCCc1nc(C)c(Cc2nc(Cc3cc(F)cc(F)c3)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.139879
|
CCCCc1nc(C)c(Cc2nc(CCOC)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.624282
|
CCCCc1nc(C)c(Cc2nc(COC)no2)c(=O)n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
| -3.5302
|
CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
| -3.468347
|
CNC(=O)[C@H]1S[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
| -3.666518
|
C=C[C@@H](O)C#CC#C[C@@H](O)/C=C\CCCCCCC
| -3.50515
|
CCCCCC1=CC(=O)C2=C(OC(C)(C)c3ccc(C)cc32)C1=O
| -4.363612
|
C=C(C)[C@@H]1CCC(C)=C[C@H]1C1=C(O)C(=O)C(CCCCC)=CC1=O
| -4.021189
|
CCCCCC1=CC(=O)C2=C(OC(C)(CCC=C(C)C)C=C2)C1=O
| -4.167317
|
CCCCCC1=CC(=O)C(C/C=C(\C)CCC=C(C)C)=C(O)C1=O
| -3.690196
|
CCCCCc1cc(O)c(C/C=C(\C)CCC=C(C)C)c(O)c1
| -4.1959
|
COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C
| -0.947924
|
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
| -4.079181
|
N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(=O)O
| -3.763428
|
N[C@@H](Cc1ccc(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
| -3.579784
|
O=C(O)Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
| -2
|
O=C(O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
| -2.568202
|
N[C@@H](Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)O
| -4.11059
|
O=C(O)Cc1cc(Br)c(Oc2cc(I)c(O)c(I)c2)c(I)c1
| -2.477121
|
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