type
string
sequence
string
canonical_smiles
string
pKd_value
float64
label
int64
buffer
string
origin
string
source
string
DNA
CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG
N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
5.69897
1
null
null
RSAPred
DNA
CGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGG
N=[N+]=NCCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
5.522879
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUCCUGCCUGCCUGCCUGCCUGCCUGUACGAAAGUACCUGCCUGCCUGCCUGCCUGCCUGAUUGGAUCCGCAAGG
N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
5.39794
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUCCUGCCUGCCUGCCUGCCUGCCUGUACGAAAGUACCUGCCUGCCUGCCUGCCUGCCUGAUUGGAUCCGCAAGG
N=[N+]=NCCCNC(=N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cc3)o2)cc1
5.30103
1
null
null
RSAPred
RNA
GGGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCCC
COc1ccc2nc3cc(Cl)ccc3c(NCCCCNc3nc(N)nc(N)n3)c2c1
6.408935
1
null
null
RSAPred
RNA
GGGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCCC
Nc1nc(N)nc(NCCCCNC(=[NH2+])c2ccc(C(=[NH2+])NCCCCNc3nc(N)nc(N)n3)cc2)n1
5.09691
1
null
null
RSAPred
RNA
GGGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCUGCCC
CN(C)CCCNc1nc(N)nc(NCCCCCCNC(=O)CC2=CCC(NC(=O)CC3=CCC(NC(=O)CCCCCCNc4nc(N)nc(N)n4)=N3)=N2)n1
4.259637
1
null
null
RSAPred
DNA
GGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCC
Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12
5.013228
1
null
null
RSAPred
DNA
GGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCC
N=C(N)c1ccc(Nc2ccc(-c3cc4ccc(C(=N)N)cc4[nH]3)cc2)cc1
5
1
null
null
RSAPred
DNA
GGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCCGGGGCC
CCN(CC)CCNC(=O)c1cc2cc(NC(=O)c3cc4cc(N)ccc4[nH]3)ccc2[nH]1
4.79588
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCGGCGGCGGCGGCGGCGGUACGAAAGUACGGCGGCGGCGGCGGCGGAUUGGAUCCGCAAGG
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(-c4ccc(C(N)=[NH2+])cn4)o3)o2)nc1
6.721246
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCGGCGGCGGCGGCGGCGGUACGAAAGUACGGCGGCGGCGGCGGCGGAUUGGAUCCGCAAGG
CC(C)c1ccc2nc3ccc(C(=O)NCCN(C)C)cn3c(=O)c2c1
6.508638
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCGGCGGCGGCGGCGGCGGUACGAAAGUACGGCGGCGGCGGCGGCGGAUUGGAUCCGCAAGG
c1cc(-c2ccc(-c3ccc(C4=[NH+]CCN4)cc3)o2)ccc1C1=[NH+]CCN1
6.060481
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCGGCGGCGGCGGCGGCGGUACGAAAGUACGGCGGCGGCGGCGGCGGAUUGGAUCCGCAAGG
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)o2)cc1
5.935542
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCGGCGGCGGCGGCGGCGGUACGAAAGUACGGCGGCGGCGGCGGCGGAUUGGAUCCGCAAGG
O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)ccc(NCCN3CCOCC3)c21
6.443697
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCAGCAGCAGCAGCAGCAGUACGAAAGUACUGCUGCUGCUGCUGCUGAUUGGAUCCGCAAGG
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(-c4ccc(C(N)=[NH2+])cn4)o3)o2)nc1
5.167491
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCAGCAGCAGCAGCAGCAGUACGAAAGUACUGCUGCUGCUGCUGCUGAUUGGAUCCGCAAGG
CC(C)c1ccc2nc3ccc(C(=O)NCCN(C)C)cn3c(=O)c2c1
5.376751
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCAGCAGCAGCAGCAGCAGUACGAAAGUACUGCUGCUGCUGCUGCUGAUUGGAUCCGCAAGG
c1cc(-c2ccc(-c3ccc(C4=[NH+]CCN4)cc3)o2)ccc1C1=[NH+]CCN1
5.552842
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCAGCAGCAGCAGCAGCAGUACGAAAGUACUGCUGCUGCUGCUGCUGAUUGGAUCCGCAAGG
NC(=[NH2+])c1ccc(-c2ccc(-c3ccc(C(N)=[NH2+])cc3)o2)cc1
5.886057
1
null
null
RSAPred
RNA
GGGAGAGGGUUUAAUUCAGCAGCAGCAGCAGCAGUACGAAAGUACUGCUGCUGCUGCUGCUGAUUGGAUCCGCAAGG
O=C1c2ccccc2C(=O)c2c(NCCN3CCOCC3)ccc(NCCN3CCOCC3)c21
5.283997
1
null
null
RSAPred
RNA
UUGGGCCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
6.920819
1
null
null
RSAPred
RNA
UUGGGCCGGCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
6.886057
1
null
null
RSAPred
RNA
UUGGGCCGGCGGCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
6.920819
1
null
null
RSAPred
RNA
UUGGGCCGGCGGCGGCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
6.974694
1
null
null
RSAPred
RNA
UUGGGCCGGCGGCGGCGGCGGCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
7.036212
1
null
null
RSAPred
RNA
UUGGGCCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGCGGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
7.468521
1
null
null
RSAPred
RNA
AUAUAUAUAUAU
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
5.636388
1
null
null
RSAPred
RNA
UUGGGCCAGCAGCAGCAGCAGCAGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
5.79588
1
null
null
RSAPred
RNA
UUGGGCCCGCCGCCGCCGCCGCCGGUCC
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
6.075721
1
null
null
RSAPred
RNA
CUGCUGCUGCUGCUGCUG
COc1cc(C=CC(=O)CC(=O)C=Cc2ccc(O)c(OC)c2)ccc1O
5.657577
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(=O)C3=C(O)c4c(O)cccc4C(C)(O)C3CC12
5.455932
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CNC1C(O)C(NC)C2OC3(O)C(=O)CC(C)OC3OC2C1O
6.585027
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CNC1C(O)C(OC2C(N)CC(N)C(OC3OC(CN)CCC3N)C2O)OCC1(C)O
5.769551
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(N)CC(N)C(OC3OC(CO)C(O)C(N)C3O)C2O)C(O)C(O)C1O
6.90309
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC1OC(OC2C(O)C(O)C(O)C(O)C2O)C(N)CC1N=C(N)C(=O)O
4.823909
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CNC1C(OC2OC(CO)C(N)C(O)C2O)OC2CC(N)C(OC3C(N)CC(N)C(O)C3O)OC2C1O
7.09691
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(N)CC(N)C(O)C2O)C(N)C(O)C1O
6.30103
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Nc1nc2ccccc2[nH]1
3.638272
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc2nc[nH]c2cc1C
3.091515
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc(C)c2nc(N)[nH]c2c1
3.585027
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc(N)nc2ccccc12
4.045757
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc2nc(N)[nH]c2cc1C
3.657577
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2[nH]c(N)nc2c1C
3.79588
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc(N(C)C)nc2cc(NC(=O)Cc3ccncc3)ccc12
4.744727
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN(C)c1cc(NC(=O)Cc2ccc(O)cc2)c2ccccc2n1
5.045757
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2c(C)cc(N)nc2c1
4.221849
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2c(C)cc(N)nc2c1C
3.769551
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN(C)c1ccc2ccccc2n1
3.004365
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cccnc1NCCN
3.221849
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccnc(NCCN)c1
5.522879
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccnc(NCCCN)c1
4.69897
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc(NCCN)nc1
4.657577
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCCNc1ccc([N+](=O)[O-])cn1
2
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cccc(NCCN)n1
3.978811
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCCNc1ccccn1
4.167491
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1cc(N(C)C)nc2cc(N)ccc12
4.455932
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN(C)c1cc(N)c2ccccc2n1
4.221849
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CNc1ccc2ccccc2n1
3.309804
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
S=C1N(CN2CCCCC2)CCN1CN1CCCCC1
3.962574
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1ccc2c(CN3CCN(Cc4c[nH]c5ccccc45)CC3)c[nH]c2c1
3.665546
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC1(C)CC(NCc2ccccc2O)CC(C)(C)N1
3.686133
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
OCC1=C=C=C(c2nc(C3=C=NC4=C(C=C=C=C4)C3)c(C3=C=C=C=C=C3)[nH]2)C=C1O
3.954677
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccccc1OCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]
3.69037
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CCc1cc2c(=O)c(-c3nc4ccccc4[nH]3)coc2c(CN2CCOCC2)c1O
3.600326
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN1CCN(CCCn2cnc3c([nH]c4ccccc43)c2=O)CC1
3.37059
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1[nH]c2ccccc2c(=O)c1CN1CCCCCC1
3.396856
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCC1
3.673664
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Nc1nonc1-n1nnc(CN2CCCCCC2)c1CN1CCCCCC1
3.536107
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Clc1ccc(-c2nnc(NCCN3CCCC3)c3ccccc23)cc1
3.835647
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc(-c2nc(CN3CCCCC3)cc(CN3CCCCC3)c2O)cc1
3.844664
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C(NCCCN1CCCCC1)c1c(O)c2ccccc2[nH]c1=O
3.616185
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2occ(CN3CCCN(C)CC3)c(=O)c2c1
3.735182
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCCCCCC1
3.548214
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCNCC1)n2Cc1ccccc1
3.609065
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=c1c2[nH]c3ccc(Br)cc3c2ncn1CCN1CCNCC1
3.578396
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc2[nH]c3c(=O)n(CCN4CCCC4)cnc3c2c1
3.467246
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N=C(N)CCCOC1=C=C=C=C=C1C1=C=C=C=C=C1
4.275724
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C(NCCN1CCOCC1)C1CCN(Cc2cccc3ccccc23)CC1
3.632644
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CCN1CCN(CCC(=O)Nc2ccc(Br)c(C)c2)CC1
3.377786
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COc1cc(NCCCC(C)N)c2cc(OC)ccc2c1
3.686133
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
N=C(N)SCc1nc2c(n1CCC1=C=C=C=C=C1)C=C=C=C2
3.756962
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COc1ccccc1-c1coc2c(CN3CCCCC3)c(O)ccc2c1=O
3.403403
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CC(=O)C1=CCC2C3CCC4=CC(=O)C=CC4(C)C3=CCC12C
4.455932
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C1NC(=O)N(C2=C=C=C(Br)C=C2)C(=O)/C1=C/NCCN1CCNCC1
3.863279
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
CN1CCCN(Cc2coc3ccc(Cl)cc3c2=O)CC1
3.806875
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C(NCCN1CCCCC1)c1c(O)c2c([nH]c1=O)C=C=C=C2
3.653647
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
c1ccc2c(c1)CCOC2CNCCCN1CCCCC1
4.744727
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cc1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NC(C)C)CC2)cc1
3.511449
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C(NCCN1CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1
3.60206
0
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
COc1ccc(CN2CCCN(C)CC2)c(OC)c1
4.508638
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
Cn1c(=O)[nH]c(=O)c2c1nc(N/N=C1\C(=O)NC3=C1C=C=C=C3)n2CC1=C=C=C(Cl)C=C1
4.30103
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
O=C(NCCCN1CCCCC1)C1C(=O)NC2=C(CCCC2)C1O
4.769551
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NC[C@H]1O[C@H](O[C@@H]2[C@H](O)[C@@H](O[C@H]3[C@@H](O)[C@H](N)C[C@@H](N)[C@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3N)O[C@H]2CO)[C@@H](N)[C@H](O)[C@@H]1O
4.910095
1
null
null
RSAPred
RNA
GCACCGGCUAACUCCGUGCCAGCAGCGCGGUAAUACGGAGGGUGC
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O
7.221849
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O
7.221849
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NC(=O)c1cnc2ccccc2c1
4.769551
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCCC(O)C(=O)NC1CC(N)C(OC2OC(CN)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(N)C1O
7.259637
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NC[C@@H]1O[C@H](O[C@H]2[C@@H](O)[C@H](O[C@H]3O[C@@H](CNc4c5ccccc5nc5ccccc45)[C@H](O)[C@@H](N)[C@@H]3O)[C@@H](N)C[C@H]2N)[C@H](N)C[C@@H]1O
7
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(N)CC(N)C(O)C2OC2OC(CO)C(O)C2O)C(N)C(O)C1O
5.769551
1
null
null
RSAPred
RNA
GAGCGUCACACCUUCGGGUGAAGUCGCUC
NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CO)C(O)CC3N)C2O)C(N)C(O)C1OC1OC(CO)C(O)C(O)C1O
7.552842
1
null
null
RSAPred