Datasets:
OsBaran
/
polymer_density_dataset

Dataset card Data Studio Files
xet
Community
1
SMILES
stringlengths
4
164
Density
float64
0.74
1.91
*c1ccc(Sc2ccc3c(c2)Sc2ccc(Sc4ccc(-n5c(=O)c6cc7c(=O)n(*)c(=O)c7cc6c5=O)cc4)cc2S3)cc1
1.305781
*c1ccc2c(c1)-c1cc(-c3nc4cc(-c5ccc6[nH]c(*)nc6c5)ccc4[nH]3)ccc1S2(=O)=O
1.212815
*c1ccc2c(c1)-c1nc3cc(-c4ccc5nc6n(c5c4)C(=O)c4cc(C(*)(C(F)(F)F)C(F)(F)F)ccc4-6)ccc3n1C2=O
1.278238
*c1ccc2c(c1)-c1nc3cc(Oc4ccc5c(c4)nc4n5C(=O)c5cc(C(*)(C(F)(F)F)C(F)(F)F)ccc5-4)ccc3n1C2=O
1.33
*c1ccc2c(c1)-c1nc3cc(Oc4ccc5nc6n(c5c4)C(=O)c4cc(C(*)(C(F)(F)F)C(F)(F)F)ccc4-6)ccc3n1C2=O
1.33172
*c1ccc2c(c1)C(=O)N(c1c(C(C)C)cc(Cc3cc(C(C)C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C(C)C)c3)cc1C(C)C)C2=O
1.054206
*c1ccc2c(c1)C(=O)N(c1c(C)c(C)c(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c(C)c1C)C2=O
1.146022
*c1ccc2c(c1)C(=O)N(c1c(C)cc(C(c3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)c3cccc4ccccc34)cc1C)C2=O
1.104934
*c1ccc2c(c1)C(=O)N(c1c(C)cc(C)c(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)c1C)C2=O
1.174741
*c1ccc2c(c1)C(=O)N(c1c(C)cc(Cc3cc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(C)c3)cc1C)C2=O
1.149324
*c1ccc2c(c1)C(=O)N(c1c(CC)cc(Cc3cc(CC)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c(CC)c3)cc1CC)C2=O
1.128173
*c1ccc2c(c1)C(=O)N(c1cc(C(c3ccc(O)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)ccc1O)C2=O
1.333438
*c1ccc2c(c1)C(=O)N(c1cc(N3C(=O)c4ccc(C(*)(C(F)(F)F)C(F)(F)F)cc4C3=O)ccc1C)C2=O
1.249385
*c1ccc2c(c1)C(=O)N(c1ccc(-c3ccc(Oc4ccc5c(c4)C(C)(c4ccc(Oc6ccc(-c7ccc(N8C(=O)c9ccc(C(*)(C(F)(F)F)C(F)(F)F)cc9C8=O)cc7)cc6C(F)(F)F)cc4)CC5(C)C)c(C(F)(F)F)c3)cc1)C2=O
1.229265
*c1ccc2c(c1)C(=O)N(c1ccc(C(C)(C)c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O
1.229424
*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(C)c(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)(C(F)(F)F)C(F)(F)F)cc1C)C2=O
1.259488
*c1ccc2c(c1)C(=O)N(c1ccc(C(c3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)(C(F)(F)F)C(F)(F)F)cc1)C2=O
1.312847
*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)cc3)cc1)C2=O
1.275253
*c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccc(N4C(=O)c5ccc(C(F)(F)C(F)(F)C(*)(F)F)cc5C4=O)cc3)cc1)C2=O
1.327993
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(C(c4cc(C)c(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C)c4)c4cccc5ccccc45)cc3C)cc1)C2=O
1.147237
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3c(C)cc(Cc4cc(C)c(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)c(C)c4)cc3C)cc1)C2=O
1.188244
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(-c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O
1.257028
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(C(c4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)(C(F)(F)F)C(F)(F)F)cc3)cc1)C2=O
1.311752
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(C)(C)CCCCC(*)(C)C)cc5C4=O)cc3)cc1)C2=O
1.127096
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(N4C(=O)c5ccc(C(C)(C)CCCCCCCCC(*)(C)C)cc5C4=O)cc3)cc1)C2=O
1.099215
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc4ccc(Oc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4c3)cc1)C2=O
1.283568
*c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(Oc4ccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)cc4)c3)cc1)C2=O
1.306691
*c1ccc2c(c1)C(=O)N(c1ccc(Sc3ccc(Oc4ccc(Sc5ccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)cc5)cc4)cc3)cc1)C2=O
1.295181
*c1ccc2c(c1)C(=O)N(c1ccc3c(c1)-c1cc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)ccc1C3)C2=O
1.262254
*c1ccc2c(c1)C(=O)N(c1cccc(Oc3ccc(S(=O)(=O)c4ccc(Oc5cccc(N6C(=O)c7ccc(C(*)(C(F)(F)F)C(F)(F)F)cc7C6=O)c5)cc4)cc3)c1)C2=O
1.317245
*c1ccc2c(c1)C(=O)N(c1cccc(Oc3cccc(Oc4cccc(N5C(=O)c6ccc(C(*)(C(F)(F)F)C(F)(F)F)cc6C5=O)c4)c3)c1)C2=O
1.3062
*c1ccc2c(c1)C(=O)N(c1cccc(S(=O)(=O)c3cccc(N4C(=O)c5ccc(C(*)(C(F)(F)F)C(F)(F)F)cc5C4=O)c3)c1)C2=O
1.336308
*c1ccc2c(c1)Cc1cc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)ccc1-2
1.225344
*c1ccc2sc3ccc(-c4nc5cc(-c6ccc7[nH]c(*)nc7c6)ccc5[nH]4)cc3c2c1
1.220057
*c1cccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccc7ccccc7c6)nc5c4)ccc3nc2-c2ccc3ccccc3c2)c1
1.095944
*c1cccc(-c2nc3cc(-c4ccc5nc(*)c(-c6ccccc6)nc5c4)ccc3nc2-c2ccccc2)c1
1.066267
*c1cccc(-n2c(=O)c3cc4c(=O)n(*)c(=O)c4cc3c2=O)c1C
1.169276
*c1cccc(N2C(=O)c3cc4C(=O)N(*)C(=O)c4cc3C2=O)c1
1.294254
*c1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1
1.239575
*c1cccc(N2C(=O)c3ccc(-c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1C
1.155335
*c1cccc(N2C(=O)c3ccc(-c4cccc5c4C(=O)N(*)C5=O)cc3C2=O)c1
1.240217
*c1cccc(N2C(=O)c3ccc(C(=O)c4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1
1.262038
*c1cccc(N2C(=O)c3ccc(C(c4ccc5c(c4)C(=O)N(*)C5=O)(C(F)(F)F)C(F)(F)F)cc3C2=O)c1
1.317287
*c1cccc(N2C(=O)c3ccc(Oc4ccc(C(C)(C)c5ccc(Oc6ccc7c(c6)C(=O)N(*)C7=O)cc5)cc4)cc3C2=O)c1
1.202698
*c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C(=O)N(*)C5=O)cc3C2=O)c1
1.280092
*c1cccc(N2C(=O)c3ccc(Oc4ccc5c(c4)C4(CC(C)(C)c6ccc(Oc7ccc8c(c7)C(=O)N(*)C8=O)cc64)CC5(C)C)cc3C2=O)c1
1.139268
*c1cccc(Oc2ccc(N3C(=O)c4cc5C(=O)N(*)C(=O)c5cc4C3=O)cc2)c1
1.28427
*c1cccc(Oc2ccc(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)c1
1.252942
*c1cccc(Oc2ccc(N3C(=O)c4ccc(C(=O)c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)c1
1.267108
*c1cccc(Oc2ccc(N3C(=O)c4ccc(C(c5ccc6c(c5)C(=O)N(*)C6=O)(C(F)(F)F)C(F)(F)F)cc4C3=O)cc2)c1
1.305857
*c1cccc(Oc2ccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cc2)c1
1.271392
*c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(-n5c(=O)c6cc7c(=O)n(*)c(=O)c7cc6c5=O)c4)cc3)cc2)c1
1.29661
*c1cccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4cccc(N5C(=O)c6ccc(-c7ccc8c(c7)C(=O)N(*)C8=O)cc6C5=O)c4)cc3)cc2)c1
1.272329
*c1cccc(Oc2cccc(Oc3cccc(-n4c(=O)c5cc6c(=O)n(*)c(=O)c6cc5c4=O)c3)c2)c1
1.295821
*c1cccc(Oc2cccc(Oc3cccc(N4C(=O)c5ccc(-c6cccc7c6C(=O)N(*)C7=O)cc5C4=O)c3)c2)c1
1.245112
*c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc(-n3c(=O)c4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c5c(=O)n(*)c(=O)c5c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4c3=O)c2)c1
1.290759
*c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc(-n3c(=O)c4c(-c5ccc(C(F)(F)F)cc5)c5c(=O)n(*)c(=O)c5c(-c5ccc(C(F)(F)F)cc5)c4c3=O)c2)c1
1.24068
*c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc(-n3c(=O)c4c(-c5ccccc5)c5c(=O)n(*)c(=O)c5c(-c5ccccc5)c4c3=O)c2)c1
1.191106
*c1cccc(P(=O)(c2ccc(C(F)(F)F)cc2)c2cccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c2)c1
1.274279
*c1cccc(P(=O)(c2cccc(-n3c(=O)c4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c5c(=O)n(*)c(=O)c5c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4c3=O)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
1.312248
*c1cccc(P(=O)(c2cccc(-n3c(=O)c4c(-c5ccc(C(F)(F)F)cc5)c5c(=O)n(*)c(=O)c5c(-c5ccc(C(F)(F)F)cc5)c4c3=O)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
1.275974
*c1cccc(P(=O)(c2cccc(-n3c(=O)c4c(-c5ccccc5)c5c(=O)n(*)c(=O)c5c(-c5ccccc5)c4c3=O)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
1.217051
*c1cccc(P(=O)(c2cccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1
1.318625
*c1cccc(P(=O)(c2ccccc2)c2cccc(-n3c(=O)c4c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c5c(=O)n(*)c(=O)c5c(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)c4c3=O)c2)c1
1.256448
*c1cccc(P(=O)(c2ccccc2)c2cccc(-n3c(=O)c4c(-c5ccc(C(F)(F)F)cc5)c5c(=O)n(*)c(=O)c5c(-c5ccc(C(F)(F)F)cc5)c4c3=O)c2)c1
1.211199
*c1cccc(P(=O)(c2ccccc2)c2cccc(-n3c(=O)c4c(-c5ccccc5)c5c(=O)n(*)c(=O)c5c(-c5ccccc5)c4c3=O)c2)c1
1.146744
*c1cccc(P(=O)(c2ccccc2)c2cccc(-n3c(=O)c4cc5c(=O)n(*)c(=O)c5cc4c3=O)c2)c1
1.233478
*c1cccc(S(=O)(=O)NCCCCCCNS(*)(=O)=O)c1
1.28508
*c1cccc2c(N3C(=O)c4ccc(-c5ccc6c(c5)C(=O)N(*)C6=O)cc4C3=O)cccc12
1.148099
*n1c(=O)c2cc3c(cc2c1=O)c(=O)n(c3=O)CCCCCCCCC*
1.170653