Datasets:
maykcaldas
/
smiles-transformers

Dataset card Data Studio Files Community
text
stringlengths
1
2.03k
formula
stringlengths
1
25
⌀
NumHDonors
int64
0
131
⌀
NumHAcceptors
int64
0
276
⌀
MolLogP
float64
-98.2
181
⌀
NumHeteroatoms
int64
0
384
⌀
RingCount
int64
0
85
⌀
NumRotatableBonds
int64
0
294
⌀
NumAromaticBonds
int64
0
432
⌀
NumAcidGroups
int64
0
48
⌀
NumBasicGroups
int64
0
56
⌀
Apol
float64
0.2
1.48k
⌀
CN1C(=O)C(=Cc2cc3ccn4c5ccc(-c6cnc(C#N)nc6)cc5sc(c2)c34)C(=O)N(C)C1=O
C26H16N6O3S
0
8
3.85758
10
6
2
22
0
0
68.334688
C[Si]1(C)c2cc(-c3ccc4ncoc4c3)sc2-c2sc(-c3ccc4ncoc4c3)cc21
C24H16N2O2S2Si
0
6
6.229
7
7
2
30
0
0
67.892688
O=C(c1ccc(-c2cocc2C(=O)c2sccc2-c2nc3ccccc3[nH]2)s1)c1cocc1-c1cocc1C(=O)c1sccc1-c1nc2ccccc2[nH]1
C41H22N4O6S3
2
11
10.7637
13
10
10
50
0
0
104.741446
C[Si]1(C)C=C2OCCOC2=C1c1cc2c(s1)-c1sc(C3=C4OCCOC4=C[Si]3(C)C)cc1[Si]2(C)C
C26H30O4S2Si3
0
6
5.497
9
7
2
10
0
0
90.91179
C[Si]1(C)c2cc(-c3cc4cc(C#N)ccc4s3)sc2-c2sc(-c3cc4cc(C#N)ccc4s3)cc21
C28H16N2S4Si
0
6
8.11936
7
7
2
30
0
0
79.128688
O=c1[nH]c(=O)c2c(-c3ncnc(-c4cc5c(=O)[nH]c(=O)c6c(-n7ccccc7=O)cc7c(=O)[nH]c(=O)c4c7c56)n3)cc3c(=O)[nH]c(=O)c4c(-n5ccccc5=O)cc1c2c34
C41H17N9O10
4
15
1.3482
19
11
4
40
0
0
101.415481
C[Si]1(C)c2cc(-c3csc4ccc(C#N)cc34)sc2-c2sc(-c3csc4ccc(C#N)cc34)cc21
C28H16N2S4Si
0
6
8.11936
7
7
2
30
0
0
79.128688
C=Cc1ccnc(-c2ncc(-c3noc(C=C4C(=O)N(C)C(=O)N(C)C4=O)c3C(=O)O)cn2)n1
C21H15N7O6
1
10
1.3636
13
4
5
17
1
0
59.473895
CN1C(=O)C(=CC=Cc2ccnc(-c3ncc(-c4nocc4C(=O)O)cn3)n2)C(=O)N(C)C1=O
C21H15N7O6
1
10
1.2768
13
4
5
17
1
0
59.473895
C[Si]1(C)c2cc(-c3ccc(C(=O)c4ccoc4)s3)sc2-c2sc(-c3ccc(C(=O)c4ccoc4)s3)cc21
C28H18O4S4Si
0
8
7.7176
9
7
6
30
0
0
81.470274
C[Si]1(C)c2cc(-c3occc3C(=O)c3cccs3)sc2-c2sc(-c3occc3C(=O)c3cccs3)cc21
C28H18O4S4Si
0
8
7.7176
9
7
6
30
0
0
81.470274
CN1C(=O)C(=Cc2nc3ccc(-c4cocc4C(=O)c4ccc(-c5ncccn5)s4)cc3o2)C(=O)N(C)C1=O
C27H17N5O6S
0
10
4.2711
12
6
5
26
0
0
72.067481
CN1C=C2C(=O)N(C)C(c3cc4c(s3)-c3sc(C5=C6C(=O)N(C)C=C6C(=O)N5C)cc3[Si]4(C)C)=C2C1=O
C26H22N4O4S2Si
0
6
1.6906
11
7
2
10
0
0
79.217446
CN1C(=O)C(=Cc2cc3c(s2)-c2sc(-c4nccc(C(=O)O)n4)cc2[Si]3(C)C)C(=O)N(C)C1=O
C22H18N4O5S2Si
1
8
2.2016
12
5
3
16
1
0
70.312274
C=c1ccc(=c2ccc(=Cc3cc4c(s3)-c3sc(C=c5ccc(=c6ccc(=C)s6)s5)cc3[Si]4(C)C)s2)s1
C30H22S6Si
0
6
5.91076
7
7
2
30
0
0
90.249446
C[Si]1(C)c2cc(-c3nocc3C(=O)O)sc2-c2sc(-c3nocc3C(=O)O)cc21
C18H12N2O6S2Si
2
8
3.319
11
5
4
20
2
0
57.873516
Cc1nc2csc(-c3ccnc(C4=C5OCCOC5=C(C=C5C(=O)N(C)C(=O)N(C)C5=O)[Si]4(C)C)n3)c2nc1C
C27H26N6O5SSi
0
10
3.55434
13
6
3
16
0
0
83.746618
C[Si]1(C)c2cc(-c3oncc3C(=O)O)sc2-c2sc(-c3oncc3C(=O)O)cc21
C18H12N2O6S2Si
2
8
3.319
11
5
4
20
2
0
57.873516
CN1C(=O)C(=CC2=C3OCCOC3=C(c3cnc(C=Cc4ccncn4)nc3)[Si]2(C)C)C(=O)N(C)C1=O
C25H24N6O5Si
0
9
2.2262
12
5
4
12
0
0
75.993032
CN1C(=O)C(=Cc2nccc(C=Cc3ncc(C4=C5OCCOC5=C[Si]4(C)C)cn3)n2)C(=O)N(C)C1=O
C25H24N6O5Si
0
9
2.313
12
5
4
12
0
0
75.993032
CN1C(=O)C(=Cc2c(C#N)sc(-c3cocc3C(=O)c3ccc(C=Cc4ccncn4)s3)c2C#N)C(=O)N(C)C1=O
C28H16N6O5S2
0
11
4.43816
13
5
6
21
0
0
76.358688
C[Si]1(C)c2cc(-c3nccnn3)sc2-c2sc(-c3nccnn3)cc21
C16H12N6S2Si
0
8
2.3166
9
5
2
22
0
0
53.941516
C[Si]1(C)c2cc([SiH]3c4ccsc4-c4sccc43)sc2-c2sc([SiH]3c4ccsc4-c4sccc43)cc21
C26H18S6Si3
0
6
3.3164
9
9
2
30
0
0
91.302274
CN1C(=O)C(=Cc2sc(-c3sc4ccc(C#N)cc4c3-c3ccc4ncoc4c3)c3c2SCCO3)C(=O)N(C)C1=O
C29H18N4O5S3
0
10
6.22798
12
7
3
25
0
0
80.152274
CN1C(=O)C(=CC2=C3OCCOC3=C(c3ccnc(-c4scc5c4SCCO5)n3)[Si]2(C)C)C(=O)N(C)C1=O
C25H24N4O6S2Si
0
10
3.4788
13
6
3
11
0
0
80.395032
C[Si]1(C)c2cc(-c3cc(F)cc4nsnc34)sc2-c2sc(-c3cc(F)cc4nsnc34)cc21
C22H12F2N4S4Si
0
8
6.2342
11
7
2
30
0
0
69.215516
C[Si]1(C)c2cc(-c3c(F)ccc4nsnc34)sc2-c2sc(-c3c(F)ccc4nsnc34)cc21
C22H12F2N4S4Si
0
8
6.2342
11
7
2
30
0
0
69.215516
C[Si]1(C)c2cc(-c3c(F)ncc4nsnc34)sc2-c2sc(-c3c(F)ncc4nsnc34)cc21
C20H10F2N6S4Si
0
10
5.0242
13
7
2
30
0
0
66.56193
C[Si]1(C)c2cc(-c3nc(F)cc4nsnc34)sc2-c2sc(-c3nc(F)cc4nsnc34)cc21
C20H10F2N6S4Si
0
10
5.0242
13
7
2
30
0
0
66.56193
CN1C(=O)C(=Cc2c(C#N)sc(-c3ncc(-c4scc5c4SCCO5)cn3)c2C#N)C(=O)N(C)C1=O
C23H14N6O4S3
0
11
3.59526
13
5
3
16
0
0
68.323102
C[Si]1(C)c2cc(-c3c(C#N)csc3C#N)sc2-c2sc(-c3c(C#N)csc3C#N)cc21
C22H10N4S4Si
0
8
5.55632
9
5
2
20
0
0
66.76793
CN1C(=O)C(=Cc2ccc3nc(-c4ncnc(-c5c(F)c(F)cc(F)c5F)n4)oc3c2)C(=O)N(C)C1=O
C23H12F4N6O4
0
8
3.337
14
5
3
22
0
0
60.517516
C[Si]1(C)c2cc(-c3sc(C#N)cc3C#N)sc2-c2sc(-c3sc(C#N)cc3C#N)cc21
C22H10N4S4Si
0
8
5.55632
9
5
2
20
0
0
66.76793
Cc1nc2csc(-c3cc4c(s3)-c3sc(-c5scc6nc(C)c(C)nc56)cc3[Si]4(C)C)c2nc1C
C26H22N4S4Si
0
8
7.18968
9
7
2
30
0
0
81.809446
CN1C(=O)C(=Cc2onc(-c3ncc(C=Cc4ccncn4)cn3)c2C(=O)O)C(=O)N(C)C1=O
C21H15N7O6
1
10
1.224
13
4
5
17
1
0
59.473895
CN1C(=O)C(=Cc2nccc(C=Cc3cnc(-c4nocc4C(=O)O)nc3)n2)C(=O)N(C)C1=O
C21H15N7O6
1
10
1.224
13
4
5
17
1
0
59.473895
CN1C(=O)C(=Cc2scc(-c3sc4ccc(C#N)cc4c3C(=O)O)c2C(=O)O)C(=O)N(C)C1=O
C22H13N3O7S2
2
8
3.33168
12
4
4
15
2
0
62.102309
C[Si]1(C)c2cc(C3=CC(=C(C#N)C#N)C=CS3)sc2-c2sc(C3=CC(=C(C#N)C#N)C=CS3)cc21
C26H14N4S4Si
0
8
6.50292
9
5
2
10
0
0
76.475102
CN1C(=O)C(=Cc2ccc(C(=O)c3ccoc3-c3cnc(-c4scc5c4SCCS5)nc3)s2)C(=O)N(C)C1=O
C26H18N4O5S4
0
11
5.3892
13
6
5
21
0
0
77.772274
CN1C(=O)C(=Cc2sc(-c3ncc(-c4occc4C(=O)c4cccs4)cn3)c3c2SCCS3)C(=O)N(C)C1=O
C26H18N4O5S4
0
11
5.3892
13
6
5
21
0
0
77.772274
C[Si]1(C)c2cc(C=Cc3ccncn3)sc2-c2sc(C=Cc3ccncn3)cc21
C22H18N4S2Si
0
6
4.5334
7
5
4
22
0
0
66.302274
C=Cc1ccnc(-c2cc3c(s2)-c2sc(-c4nccc(C=C)n4)cc2[Si]3(C)C)n1
C22H18N4S2Si
0
6
4.8126
7
5
4
22
0
0
66.302274
C[Si]1(C)c2cc(-c3ccsc3C(=O)c3ccoc3)sc2-c2sc(-c3ccsc3C(=O)c3ccoc3)cc21
C28H18O4S4Si
0
8
7.7176
9
7
6
30
0
0
81.470274
CN1C(=O)C(=Cc2c(F)cc(-c3ncnc(C#N)n3)c3nsnc23)C(=O)N(C)C1=O
C17H9FN8O3S
0
10
0.98788
13
4
2
16
0
0
50.584137
C[Si]1(C)c2cc(-c3cocc3C(=O)c3cccs3)sc2-c2sc(-c3cocc3C(=O)c3cccs3)cc21
C28H18O4S4Si
0
8
7.7176
9
7
6
30
0
0
81.470274
CN1C(=O)C(=Cc2nccc(C=Cc3ncnc(-c4cocc4C(=O)c4cccs4)n3)n2)C(=O)N(C)C1=O
C25H17N7O5S
0
11
2.8183
13
5
6
22
0
0
69.945481
CN1C(=O)C(=Cc2ccsc2C(=O)c2cocc2-c2ncnc(C=Cc3ccncn3)n2)C(=O)N(C)C1=O
C25H17N7O5S
0
11
2.8183
13
5
6
22
0
0
69.945481
C[Si]1(C)c2cc(-c3scc4c3SCCO4)sc2-c2sc(-c3scc4c3SCCO4)cc21
C22H18O2S6Si
0
8
7.0386
9
7
2
20
0
0
75.106274
CN1C(=O)C(=Cc2nccc(-c3sc4ccc(C#N)cc4c3-c3scc4c3SCCS4)n2)C(=O)N(C)C1=O
C26H17N5O3S4
0
10
5.59008
12
6
3
21
0
0
76.601481
C[Si]1(C)c2cc(-c3scc4c3OCCS4)sc2-c2sc(-c3scc4c3OCCS4)cc21
C22H18O2S6Si
0
8
7.0386
9
7
2
20
0
0
75.106274
CN1C(=O)C(=Cc2csc(-c3ncc(C#N)cn3)c2C(=O)O)C(=O)N(C)C1=O
C17H11N5O5S
1
8
1.20878
11
3
3
11
1
0
49.664723
C[Si]1(C)c2cc(-c3ccncn3)sc2-c2sc(-c3ccncn3)cc21
C18H14N4S2Si
0
6
3.5266
7
5
2
22
0
0
56.595102
C[Si]1(C)c2cc(C(=Cc3cccs3)c3cccs3)sc2-c2sc(C(=Cc3cccs3)c3cccs3)cc21
C30H22S6Si
0
6
10.0364
7
7
6
30
0
0
90.249446
CN1C(=O)C(=Cc2ncnc(-c3cc4c(s3)-c3sccc3C43SCCS3)n2)C(=O)N(C)C1=O
C21H15N5O3S4
0
10
3.7569
12
6
2
16
0
0
66.467895
C[Si]1(C)c2cc(-c3c(F)c(F)cc4nsnc34)sc2-c2sc(-c3c(F)c(F)cc4nsnc34)cc21
C22H10F4N4S4Si
0
8
6.5124
13
7
2
30
0
0
68.99593
CN1C(=O)C(=Cc2nccc(-c3ccc(C(=O)c4cocc4-c4ncccn4)s3)n2)C(=O)N(C)C1=O
C24H16N6O5S
0
10
2.9199
12
5
5
22
0
0
66.418688
CN1C(=O)C(=Cc2ccnc(-c3cocc3C(=O)c3ccc(-c4ccncn4)s3)n2)C(=O)N(C)C1=O
C24H16N6O5S
0
10
2.9199
12
5
5
22
0
0
66.418688
CN1C(=O)C(=C[Si]2(c3nccc(C4=CC=CC5N=C(F)C(F)=NC45)n3)C=C3OCCOC3=C2)C(=O)N(C)C1=O
C25H20F2N6O5Si
0
9
0.995
14
6
3
6
0
0
74.43986
C[Si]1(C)c2cc(C3=CC=CC4N=C(F)C(F)=NC34)sc2-c2sc(C3=CC=CC4N=C(F)C(F)=NC34)cc21
C26H18F4N4S2Si
0
6
5.4926
11
7
2
10
0
0
75.570274
C[Si]1(C)c2cc(C3=CC(=C(C#N)C#N)C=CO3)sc2-c2sc(C3=CC(=C(C#N)C#N)C=CO3)cc21
C26H14N4O2S2Si
0
8
5.06972
9
5
2
10
0
0
72.279102
C[Si]1(C)c2cc(-c3cscc3C(=O)O)sc2-c2sc(-c3cscc3C(=O)O)cc21
C20H14O4S4Si
2
6
5.466
9
5
4
20
2
0
64.723102
C[Si]1(C)c2cc(-c3sccc3C(=O)O)sc2-c2sc(-c3sccc3C(=O)O)cc21
C20H14O4S4Si
2
6
5.466
9
5
4
20
2
0
64.723102
CN1C(=O)C(=Cc2ccc3c(c2)N(C)C(=O)C3=C2C(=O)N(C)c3cc(-c4ccnc(C(F)(F)F)n4)ccc32)C(=O)N(C)C1=O
C30H21F3N6O5
0
7
3.4598
14
6
2
18
0
0
79.083653
CN1C(=O)C(=Cc2c3c(=O)n(C)c(=O)c3c(-c3ccc4ncoc4c3)c3c4ccc(C#N)c5cccc(c23)c54)C(=O)N(C)C1=O
C34H19N5O6
0
8
4.82668
11
8
2
27
0
0
82.821067
CN1C(=O)C(=Cc2nc3ccc(-c4c5c(=O)n(C)c(=O)c5cc5c6cccc7c(C#N)ccc(c45)c76)cc3o2)C(=O)N(C)C1=O
C34H19N5O6
0
8
4.82668
11
8
2
27
0
0
82.821067
O=C(c1ccc(-c2nc3ccccc3o2)s1)c1ccoc1-c1nc2ccccc2o1
C23H12N2O4S
0
7
6.1885
7
6
4
30
0
0
56.789516
CN1C(=O)C(=Cc2nccc(-c3cocc3C(=O)c3ccc(-c4cncnn4)s3)n2)C(=O)N(C)C1=O
C23H15N7O5S
0
11
2.3149
13
5
5
22
0
0
65.091895
O=C(c1ccc(-c2ccc3ncoc3c2)s1)c1ccoc1-c1ccc2ncoc2c1
C23H12N2O4S
0
7
6.1885
7
6
4
30
0
0
56.789516
C[Si]1(C)C=C2OCCOC2=C1c1ccc(C(=O)c2ccoc2C2=C3OCCOC3=C[Si]2(C)C)s1
C25H26O6SSi2
0
7
5.4565
9
6
4
10
0
0
79.808618
CN1C(=O)C(=Cc2ccc(C(=O)c3ccoc3-c3cnc(-c4cscc4C(=O)O)nc3)s2)C(=O)N(C)C1=O
C25H16N4O7S2
1
10
3.8896
13
5
6
21
1
0
70.482688
CN1C(=O)C(=Cc2scc(-c3ncc(-c4occc4C(=O)c4cccs4)cn3)c2C(=O)O)C(=O)N(C)C1=O
C25H16N4O7S2
1
10
3.8896
13
5
6
21
1
0
70.482688
N#Cc1ccc2sc(-c3ccc(C(=O)c4ccoc4-c4cc5cc(C#N)ccc5s4)s3)cc2c1
C27H12N2O2S3
0
7
8.07886
7
6
4
30
0
0
68.025516
N#Cc1ccc2scc(-c3ccc(C(=O)c4ccoc4-c4csc5ccc(C#N)cc45)s3)c2c1
C27H12N2O2S3
0
7
8.07886
7
6
4
30
0
0
68.025516
O=C(c1ccc(-c2ncccn2)s1)c1ccoc1-c1ncccn1
C17H10N4O2S
0
7
3.4861
7
4
4
22
0
0
45.49193
O=C(c1ccc(-c2cncnc2)s1)c1ccoc1-c1cncnc1
C17H10N4O2S
0
7
3.4861
7
4
4
22
0
0
45.49193
CN1C(=O)C(=Cc2cc3c(s2)-c2sc(-c4nccc(-c5ncccn5)n4)cc2[Si]3(C)C)C(=O)N(C)C1=O
C25H20N6O3S2Si
0
9
2.9604
12
6
3
22
0
0
77.52186
O=C(c1ccoc1)c1ccc(-c2ccc(C(=O)c3ccoc3-c3ccc(C(=O)c4ccoc4)s3)s2)s1
C27H14O6S3
0
9
7.6771
9
6
8
30
0
0
70.367102
O=C(c1cccs1)c1ccoc1-c1ccc(C(=O)c2ccoc2-c2occc2C(=O)c2cccs2)s1
C27H14O6S3
0
9
7.6771
9
6
8
30
0
0
70.367102
CN1C=C2C(=O)N(C)C(c3ccc(C(=O)c4ccoc4C4=C5C(=O)N(C)C=C5C(=O)N4C)s3)=C2C1=O
C25H18N4O6S
0
7
1.6501
11
6
4
10
0
0
68.114274
CN1C(=O)C(=Cc2cc(F)c(-c3ncc(-c4ccncn4)cn3)c3nsnc23)C(=O)N(C)C1=O
C21H13FN8O3S
0
10
2.1782
13
5
3
22
0
0
60.291309
C=c1ccc(=c2ccc(=Cc3ccc(C(=O)c4ccoc4C=c4ccc(=c5ccc(=C)s5)s4)s3)s2)s1
C29H18O2S5
0
7
5.87026
7
6
4
30
0
0
79.146274
CN1C(=O)C(=Cc2c(F)c(F)c(-c3ncc(C(F)(F)F)cn3)c3nsnc23)C(=O)N(C)C1=O
C18H9F5N6O3S
0
8
2.8791
15
4
2
16
0
0
52.372137
O=C(O)c1conc1-c1ccc(C(=O)c2ccoc2-c2nocc2C(=O)O)s1
C17H8N2O8S
2
9
3.2785
11
4
6
20
2
0
46.770344
CN1C(=O)C(=Cc2c3c(=O)n(C)c(=O)c3c(C=Cc3ccncn3)c3c4cccc5c(C#N)ccc(c23)c54)C(=O)N(C)C1=O
C33H20N6O5
0
8
3.97888
11
7
3
23
0
0
82.02586
CN1C(=O)C(=Cc2nccc(C=Cc3c4c(=O)n(C)c(=O)c4cc4c5ccc(C#N)c6cccc(c34)c65)n2)C(=O)N(C)C1=O
C33H20N6O5
0
8
3.97888
11
7
3
23
0
0
82.02586
O=C(O)c1cnoc1-c1ccc(C(=O)c2ccoc2-c2oncc2C(=O)O)s1
C17H8N2O8S
2
9
3.2785
11
4
6
20
2
0
46.770344
O=C(c1ccc(-c2cncnn2)s1)c1ccoc1-c1cncnn1
C15H8N6O2S
0
9
2.2761
9
4
4
22
0
0
42.838344
O=C(c1ccc(-c2nccnn2)s1)c1ccoc1-c1nccnn1
C15H8N6O2S
0
9
2.2761
9
4
4
22
0
0
42.838344
CN1C(=O)C(=CC2=C3OCCOC3=C(c3ncc(-c4c(F)ccc5nsnc45)cn3)[Si]2(C)C)C(=O)N(C)C1=O
C25H21FN6O5SSi
0
10
3.0766
14
6
3
16
0
0
77.449653
CN1C(=O)C(=Cc2cc(F)c(-c3cnc(C4=C5OCCOC5=C[Si]4(C)C)nc3)c3nsnc23)C(=O)N(C)C1=O
C25H21FN6O5SSi
0
10
3.1634
14
6
3
16
0
0
77.449653
O=C(c1ccc([SiH]2c3ccsc3-c3sccc32)s1)c1ccoc1[SiH]1c2ccsc2-c2sccc21
C25H14O2S5Si2
0
7
3.2759
9
8
4
30
0
0
80.199102
CN1C(=O)C(=CC2=CC(=C(C#N)C#N)C=C(c3ncc(-c4cc(F)cc5nsnc45)cn3)S2)C(=O)N(C)C1=O
C25H13FN8O3S2
0
11
3.57956
14
5
3
16
0
0
70.231309
O=C(c1ccc(-c2scc3c2SCCS3)s1)c1ccoc1-c1scc2c1SCCS2
C21H14O2S7
0
9
8.4247
9
6
4
20
0
0
68.199102
O=C(c1ccc(-c2cc(F)cc3nsnc23)s1)c1ccoc1-c1cc(F)cc2nsnc12
C21H8F2N4O2S3
0
9
6.1937
11
6
4
30
0
0
58.112344
C=Cc1ccnc(-c2ncnc(-c3cc4c(s3)-c3sc(C=C5C(=O)N(C)C(=O)N(C)C5=O)cc3[Si]4(C)C)n2)n1
C26H21N7O3S2Si
0
10
2.9984
13
6
4
22
0
0
81.048653
O=C(c1ccc(-c2c(F)ccc3nsnc23)s1)c1ccoc1-c1c(F)ccc2nsnc12
C21H8F2N4O2S3
0
9
6.1937
11
6
4
30
0
0
58.112344
CN1C(=O)C(=Cc2sc(-c3ccc(C(=O)c4cocc4-c4nccnn4)s3)c3c2SCCO3)C(=O)N(C)C1=O
C25H17N5O6S3
0
12
4.0709
14
6
5
21
0
0
74.347481
O=C(c1ccc(-c2c(F)ncc3nsnc23)s1)c1ccoc1-c1c(F)ncc2nsnc12
C19H6F2N6O2S3
0
11
4.9837
13
6
4
30
0
0
55.458758
CN1C(=O)C(=CC=Cc2ccnc(-c3ncc(-c4sc5c(sc6c(F)csc65)c4F)cn3)n2)C(=O)N(C)C1=O
C25H14F2N6O3S3
0
10
5.3597
14
6
4
25
0
0
72.155102
O=C(c1ccc(-c2nc(F)cc3nsnc23)s1)c1ccoc1-c1nc(F)cc2nsnc12
C19H6F2N6O2S3
0
11
4.9837
13
6
4
30
0
0
55.458758