AID
int64 587
594
| SID
int64 842k
11.1M
| SID Group
int64 11
59.1k
| CID
int64 199
136M
| Activity Outcome
stringclasses 1
value | Activity Name
float64 | Activity Qualifier
float64 | Activity Value
float64 | Protein Accession
float64 | Gene ID
float64 | Target TaxID
float64 | PMID
float64 | smiles
stringlengths 8
226
|
|---|---|---|---|---|---|---|---|---|---|---|---|---|
587
| 4,263,041
| 53,551
| 1,247,498
|
Active
| null | null | null | null | null | null | null |
CCOc1cccc2cc(C(=O)N3CCc4ccccc43)c(=O)oc12
|
587
| 11,112,702
| 58,475
| 6,604,382
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
587
| 4,257,849
| 48,398
| 1,258,835
|
Active
| null | null | null | null | null | null | null |
COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
|
587
| 11,111,672
| 57,447
| 4,971
|
Active
| null | null | null | null | null | null | null |
C=Cc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3C=C
|
587
| 11,112,113
| 57,888
| 6,604,182
|
Active
| null | null | null | null | null | null | null |
CC(=O)S[C@H]1CC2=CC(=O)CC[C@@]2(C)[C@H]2CC[C@@]3(C)[C@H](CC[C@]34CCC(=O)O4)[C@@H]12
|
587
| 4,254,058
| 44,639
| 3,246,581
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=N)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
|
587
| 4,254,374
| 44,953
| 72,685
|
Active
| null | null | null | null | null | null | null |
CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)/C1=N\c1c(C)cc(O)cc1O
|
587
| 11,112,689
| 58,462
| 6,604,373
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
587
| 4,253,737
| 44,320
| 278,672
|
Active
| null | null | null | null | null | null | null |
O=C1c2ccccc2C(=O)c2c(NC3CCCCC3)ccc(Nc3ccc(S(=O)(=O)O)cc3)c21
|
587
| 4,254,230
| 44,810
| 428,781
|
Active
| null | null | null | null | null | null | null |
CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
|
587
| 4,253,824
| 44,407
| 9,595,220
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
|
587
| 4,254,404
| 44,983
| 461,805
|
Active
| null | null | null | null | null | null | null |
N[C@H](Cc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1)C(=O)O
|
587
| 11,112,934
| 58,707
| 6,419,892
|
Active
| null | null | null | null | null | null | null |
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12
|
587
| 3,713,109
| 24,146
| 2,306,089
|
Active
| null | null | null | null | null | null | null |
CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21
|
587
| 3,713,635
| 24,672
| 2,377,519
|
Active
| null | null | null | null | null | null | null |
CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
|
587
| 3,716,574
| 27,608
| 2,999,671
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
|
587
| 4,252,983
| 43,570
| 13,399
|
Active
| null | null | null | null | null | null | null |
Nc1n[nH]c2ccccc12
|
587
| 3,716,567
| 27,601
| 2,123,860
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
|
587
| 4,254,612
| 45,187
| 870,979
|
Active
| null | null | null | null | null | null | null |
O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
|
587
| 847,922
| 5,802
| 5,285,253
|
Active
| null | null | null | null | null | null | null |
CC(C)N1CC2=C(OC(N)=C(C#N)C2c2cccnc2)/C(=C/c2cccnc2)C1
|
587
| 3,712,357
| 23,396
| 2,079,240
|
Active
| null | null | null | null | null | null | null |
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
|
587
| 862,610
| 18,596
| 663,844
|
Active
| null | null | null | null | null | null | null |
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
|
587
| 846,370
| 4,250
| 5,309,506
|
Active
| null | null | null | null | null | null | null |
Cc1ccc2c(c1)c(C)c(C)n2CC(O)CN1CCOCC1
|
587
| 3,717,960
| 28,993
| 2,368,170
|
Active
| null | null | null | null | null | null | null |
CN1/C(=C\C(=O)COC(=O)Cn2nnc(-c3ccccc3)n2)C(C)(C)c2ccccc21
|
587
| 847,074
| 4,954
| 649,468
|
Active
| null | null | null | null | null | null | null |
O=C(O)c1ccccc1C1=Nc2ccc(O)cc2Oc2cc(O)ccc21
|
587
| 850,124
| 8,004
| 652,631
|
Active
| null | null | null | null | null | null | null |
COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
|
587
| 858,057
| 14,143
| 659,413
|
Active
| null | null | null | null | null | null | null |
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
|
587
| 858,141
| 14,227
| 659,498
|
Active
| null | null | null | null | null | null | null |
CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
|
587
| 3,714,323
| 25,358
| 6,602,956
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21
|
587
| 4,244,935
| 36,114
| 3,239,469
|
Active
| null | null | null | null | null | null | null |
O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3
|
587
| 855,543
| 11,638
| 62,770
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
587
| 853,401
| 11,281
| 656,056
|
Active
| null | null | null | null | null | null | null |
O=C(Nc1ccc2c(c1)OCO2)C1CCCN(c2nc3ccccc3s2)C1
|
587
| 859,141
| 15,224
| 660,442
|
Active
| null | null | null | null | null | null | null |
CN1CCc2c(sc3c2C(=O)NC(c2ccccn2)N3)C1
|
587
| 855,944
| 12,030
| 443,939
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
588
| 4,253,824
| 44,407
| 9,595,220
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(/C(C)=N\O)C[C@@H]3O[C@H]1C[C@H](N)[C@@H](O)[C@H](C)O1
|
588
| 4,254,374
| 44,953
| 72,685
|
Active
| null | null | null | null | null | null | null |
CC1=c2c(oc3cc(O)c(Nc4c(C)cc(O)cc4O)c(C)c23)=CC(=O)/C1=N\c1c(C)cc(O)cc1O
|
588
| 4,254,230
| 44,810
| 428,781
|
Active
| null | null | null | null | null | null | null |
CN(C)CCCNc1cc(O)c2c(c1O)C(=O)c1ccccc1C2=O
|
588
| 4,252,983
| 43,570
| 13,399
|
Active
| null | null | null | null | null | null | null |
Nc1n[nH]c2ccccc12
|
588
| 11,111,316
| 57,095
| 151,582
|
Active
| null | null | null | null | null | null | null |
CC(=O)[C@@]1(O)Cc2c(O)c3c(c(O)c2[C@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
|
588
| 4,265,299
| 55,795
| 2,906,351
|
Active
| null | null | null | null | null | null | null |
CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O
|
588
| 4,254,612
| 45,187
| 870,979
|
Active
| null | null | null | null | null | null | null |
O=S(=O)(Cc1ccccc1)N1CCc2ccccc21
|
588
| 11,112,702
| 58,475
| 6,604,382
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(=O)CO)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
588
| 3,713,109
| 24,146
| 2,306,089
|
Active
| null | null | null | null | null | null | null |
CN1/C(=C\P(=O)(N(C)C)N(C)C)C(C)(C)c2ccccc21
|
588
| 4,257,849
| 48,398
| 1,258,835
|
Active
| null | null | null | null | null | null | null |
COC(=O)c1ccc2c(c1)SC1=C(CCCC1=O)N2
|
588
| 3,713,635
| 24,672
| 2,377,519
|
Active
| null | null | null | null | null | null | null |
CN(c1ccccc1)c1ccc(/C=c2\s/c(=C(/C#N)C(=O)C(C)(C)C)n(Cc3ccco3)c2=O)cc1
|
588
| 3,716,567
| 27,601
| 2,123,860
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nnc3ccccn23)nc2cc(C(=O)O)ccc21
|
588
| 11,112,934
| 58,707
| 6,419,892
|
Active
| null | null | null | null | null | null | null |
O=C([O-])c1ccccc1-c1c2cc(Br)c(=O)cc-2oc2c([Hg])c([O-])c(Br)cc12
|
588
| 3,716,574
| 27,608
| 2,999,671
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nccn2C)nc2cc(C(=O)O)ccc21
|
588
| 11,112,689
| 58,462
| 6,604,373
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@H]3O[C@@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
588
| 850,124
| 8,004
| 652,631
|
Active
| null | null | null | null | null | null | null |
COc1ccc2cc(C(c3nnnn3CCc3ccccc3)N3CCC(O)CC3)c(=O)[nH]c2c1
|
588
| 858,057
| 14,143
| 659,413
|
Active
| null | null | null | null | null | null | null |
O=C1c2ccccc2-c2onc3ccc(NCc4ccco4)c1c23
|
588
| 3,712,357
| 23,396
| 2,079,240
|
Active
| null | null | null | null | null | null | null |
Cc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)o1
|
588
| 858,141
| 14,227
| 659,498
|
Active
| null | null | null | null | null | null | null |
CC1=CC(C#N)(C#N)C(C#N)(C#N)C(c2ccccc2)N1
|
588
| 862,610
| 18,596
| 663,844
|
Active
| null | null | null | null | null | null | null |
O=C1c2ccccc2-c2onc3ccc(NCCCn4ccnc4)c1c23
|
588
| 3,714,323
| 25,358
| 6,602,956
|
Active
| null | null | null | null | null | null | null |
CCn1c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)nc2cc(C(=O)O)ccc21
|
588
| 855,543
| 11,638
| 62,770
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
588
| 852,623
| 10,503
| 3,098,234
|
Active
| null | null | null | null | null | null | null |
CCN1C(=O)/C(=C2\C=Cc3ccccc3N2CC)OC1=S
|
588
| 855,944
| 12,030
| 443,939
|
Active
| null | null | null | null | null | null | null |
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1
|
588
| 848,038
| 5,918
| 650,462
|
Active
| null | null | null | null | null | null | null |
Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2
|
590
| 11,112,236
| 58,010
| 5,280,567
|
Active
| null | null | null | null | null | null | null |
Cc1cc(=O)oc2cc(O)ccc12
|
590
| 11,112,293
| 58,067
| 135,403,646
|
Active
| null | null | null | null | null | null | null |
Nc1nc2n[nH]nc2c(=O)[nH]1
|
590
| 11,111,376
| 57,154
| 6,603,904
|
Active
| null | null | null | null | null | null | null |
COc1cc2nc(N3CCN(C(=O)OCc4ccccc4)[C@H](C(=O)NC(C)(C)C)C3)nc(N)c2cc1OC
|
590
| 11,111,095
| 56,874
| 5,281,708
|
Active
| null | null | null | null | null | null | null |
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
|
590
| 4,263,927
| 54,433
| 2,953,653
|
Active
| null | null | null | null | null | null | null |
Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5Cl)o4)cc3)nn12
|
590
| 11,112,681
| 58,454
| 673,469
|
Active
| null | null | null | null | null | null | null |
COc1c2c(nc3ccccc13)O[C@H]([C@@](C)(O)CO)C2
|
590
| 11,113,270
| 59,043
| 6,199
|
Active
| null | null | null | null | null | null | null |
O=c1ccc2cc3ccoc3cc2o1
|
590
| 11,112,796
| 58,569
| 6,604,416
|
Active
| null | null | null | null | null | null | null |
CCN[C@@H]1C[C@H](N)[C@H](O[C@H]2OC(CN)=CC[C@H]2N)[C@@H](O)[C@H]1O[C@H]1OC[C@@](C)(O)[C@@H](NC)[C@@H]1O
|
590
| 11,112,432
| 58,206
| 12,492
|
Active
| null | null | null | null | null | null | null |
C[C@@H]1CCC[C@H](C)N1NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1
|
590
| 11,111,014
| 56,793
| 5,311,191
|
Active
| null | null | null | null | null | null | null |
CCCN1CCc2cccc3c2[C@@H]1Cc1ccc(O)c(O)c1-3
|
590
| 11,112,223
| 57,997
| 6,760
|
Active
| null | null | null | null | null | null | null |
COc1ccc2c(OC)c3ccoc3nc2c1OC
|
590
| 11,112,862
| 58,635
| 6,604,442
|
Active
| null | null | null | null | null | null | null |
COc1cc2nc(N(C)CCCNC(=O)[C@@H]3CCCO3)nc(N)c2cc1OC
|
590
| 11,111,159
| 56,938
| 6,603,845
|
Active
| null | null | null | null | null | null | null |
CNC(=O)Oc1ccc2c(c1)[C@@]1(C)CCN(C)[C@@H]1N2C
|
590
| 11,113,286
| 59,059
| 14,987
|
Active
| null | null | null | null | null | null | null |
CN1C[C@H](CO)C=C2c3cccc4[nH]cc(c34)C[C@H]21
|
590
| 11,112,376
| 58,150
| 6,604,259
|
Active
| null | null | null | null | null | null | null |
CC(C)C[C@H]1C(=O)N2CCC[C@@H]2[C@@]2(O)O[C@](NC(=O)[C@@H]3C=C4c5cccc6[nH]cc(c56)C[C@@H]4N(C)C3)(C(C)C)C(=O)N12
|
590
| 11,112,976
| 58,749
| 54,705,188
|
Active
| null | null | null | null | null | null | null |
CN(C)[C@@H]1C(=O)C(C(N)=O)=C(O)[C@]2(O)C(=O)C3=C(O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12
|
590
| 11,112,273
| 58,047
| 6,604,225
|
Active
| null | null | null | null | null | null | null |
COc1cc(OC)c2c(c1Cl)O[C@@]1(C2=O)[C@H](C)CC(=O)C[C@@H]1OC
|
590
| 11,111,680
| 57,455
| 4,976
|
Active
| null | null | null | null | null | null | null |
CNCCCC1c2ccccc2C=Cc2ccccc21
|
590
| 11,112,792
| 58,565
| 4,849
|
Active
| null | null | null | null | null | null | null |
NS(=O)(=O)c1cc(C(=O)O)cc(N2CCCC2)c1Oc1ccccc1
|
590
| 11,112,298
| 58,072
| 6,604,230
|
Active
| null | null | null | null | null | null | null |
CCCC[C@H](CC)CN1CN(C[C@@H](CC)CCCC)CC(C)(N)C1
|
590
| 11,112,553
| 58,327
| 2,446
|
Active
| null | null | null | null | null | null | null |
CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
|
590
| 11,111,701
| 57,476
| 5,013
|
Active
| null | null | null | null | null | null | null |
CN1CCN(c2ccc3ccccc3n2)CC1
|
590
| 11,113,254
| 59,027
| 3,397,945
|
Active
| null | null | null | null | null | null | null |
C[N+]1=Cc2cc3c(cc2CC1)OCO3
|
590
| 11,112,617
| 58,391
| 6,603,743
|
Active
| null | null | null | null | null | null | null |
N[C@@H](CO)C(=O)NNCc1ccc(O)c(O)c1O
|
590
| 11,111,535
| 57,313
| 4,431
|
Active
| null | null | null | null | null | null | null |
COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
|
590
| 11,111,266
| 57,045
| 1,748
|
Active
| null | null | null | null | null | null | null |
COc1ccc(CCN)cc1O
|
590
| 4,264,181
| 54,683
| 2,056,597
|
Active
| null | null | null | null | null | null | null |
CCOC(=O)c1c(NC(=O)c2ccn(CC)n2)sc2c1CCCC2
|
590
| 4,264,204
| 54,706
| 695,286
|
Active
| null | null | null | null | null | null | null |
CCOC(=O)CSc1nc(C)c2cc(OC)ccc2n1
|
590
| 11,112,643
| 58,416
| 6,604,356
|
Active
| null | null | null | null | null | null | null |
CCN(CC)C(=O)N[C@H]1C=C2c3cccc4[nH]cc(c34)C[C@@H]2N(C)C1
|
590
| 4,265,804
| 56,293
| 2,293,535
|
Active
| null | null | null | null | null | null | null |
CCN1C2=C(C(=O)CCC2)C(c2ccc(O)cc2)C2=C1CCCC2=O
|
590
| 11,112,894
| 58,667
| 65,981
|
Active
| null | null | null | null | null | null | null |
CCOc1cc(CC(=O)N[C@@H](CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O
|
590
| 4,264,999
| 55,496
| 1,267,907
|
Active
| null | null | null | null | null | null | null |
CC(=O)c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(=S)n(-c2ccccc2)c1C
|
590
| 11,111,332
| 57,111
| 135,398,700
|
Active
| null | null | null | null | null | null | null |
Nc1nc2[nH]c(=O)cnc2c(=O)[nH]1
|
590
| 11,111,445
| 57,223
| 6,603,922
|
Active
| null | null | null | null | null | null | null |
Cc1nnc2cc(-c3ccc(C(F)(F)F)cc3)cnn12
|
590
| 11,111,348
| 57,126
| 180,540
|
Active
| null | null | null | null | null | null | null |
C[C@@H](C(=O)O)c1cccc(C(=O)c2ccccc2)c1
|
590
| 11,113,228
| 59,001
| 135,484,652
|
Active
| null | null | null | null | null | null | null |
C[C@H](O)[C@H](O)[C@@H](O)c1cnc2nc(N)[nH]c(=O)c2n1
|
590
| 11,113,026
| 58,799
| 6,419,938
|
Active
| null | null | null | null | null | null | null |
Cc1[nH]ccc2c1[nH]c1cc(=O)ccc12
|
590
| 11,111,900
| 57,675
| 5,533
|
Active
| null | null | null | null | null | null | null |
O=c1n(CCCN2CCN(c3cccc(Cl)c3)CC2)nc2ccccn12
|
590
| 11,112,910
| 58,683
| 24,360
|
Active
| null | null | null | null | null | null | null |
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccccc3nc2-1
|
590
| 11,113,029
| 58,802
| 6,604,555
|
Active
| null | null | null | null | null | null | null |
CNC[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO.Cc1c(Nc2ncccc2C(=O)O)cccc1C(F)(F)F
|
590
| 11,111,495
| 57,273
| 1,390
|
Active
| null | null | null | null | null | null | null |
Cn1ccnc1
|
End of preview. Expand
in Data Studio
README.md exists but content is empty.
- Downloads last month
- 7