SMILES stringlengths 4 164 | Density float64 0.74 1.91 |
|---|---|
*CC/C=C(\*)Cl | 1.197367 |
*CC1(C)CC(*)(C)C(=O)OC1=O | 1.134709 |
*CC1CC(*)OC(CCC)O1 | 1.007711 |
*CC1CCC(COC(=O)CCC(=O)O*)CC1 | 1.095696 |
*CC1CCC(COC(=O)CCCCCCCCC(=O)O*)CC1 | 1.015688 |
*CCC(C)CO* | 0.951691 |
*CCC(c1ccccc1)C(*)c1ccccc1 | 0.981232 |
*CCC=C(*)C | 0.879267 |
*CCC=C(*)Cl | 1.195058 |
*CCCC(=O)N* | 1.12773 |
*CCCCCC(=O)O* | 1.053069 |
*CCCCCCC(=O)N* | 1.007716 |
*CCCCCCCCC(=O)N* | 0.967909 |
*CCCCCCCCCC(=O)N* | 0.953326 |
*CCCCCCCCCCC(=O)N(*)C | 0.943846 |
*CCCCCCCCCCCC(=O)N* | 0.934153 |
*CCCCCCCCCCCCC(=O)N* | 0.93085 |
*CCCCCCCCCCCCNC(=O)CCCCCCCCCCC(=O)N* | 0.938539 |
*CCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCCCC(=O)N* | 0.913331 |
*CCCCCCCCCCCCSC(=O)S* | 1.024035 |
*CCCCCCCCCCCNC(=O)CCCCC(=O)N* | 0.9855 |
*CCCCCCCCCCN1C(=O)C2C3C=CC(C4C(=O)N(*)C(=O)C34)C2C1=O | 1.115283 |
*CCCCCCCCCNC(=O)c1ccc(C(=O)N*)cc1 | 1.067236 |
*CCCCCCCCCSC(=O)S* | 1.067551 |
*CCCCCCCCNC(=O)CCCCCCCCC(=O)N* | 0.968044 |
*CCCCCCCCOC(=O)c1cccc(C(=O)O*)c1 | 1.094982 |
*CCCCCCN1C(=O)c2ccc(C(c3ccc4c(c3)C(=O)N(*)C4=O)(C(F)(F)F)C(F)(F)F)cc2C1=O | 1.28868 |
*CCCCCCNC(=O)c1ccc(C2(C)CC(C)(C)c3ccc(C(=O)N*)cc32)cc1 | 1.041145 |
*CCCCCCNC(=O)c1cccc(C(=O)N*)c1 | 1.109504 |
*CCCCCCOC(=O)CCCCCCCC(=O)O* | 1.015596 |
*CCCCCCOC(=O)CCCCCCCCC(=O)O* | 1.007846 |
*CCCCCCOC(=O)Nc1ccc(C)c(NC(=O)OCCCCCCOc2ccc(-c3ccc(O*)cc3)cc2)c1 | 1.118435 |
*CCCCCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1 | 1.134208 |
*CCCCCCOC(=O)c1ccc(C(=O)O*)cc1 | 1.133047 |
*CCCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1 | 1.146197 |
*CCCCCCS(*)(=O)=O | 1.156037 |
*CCCCCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(C)CCCCCC(=O)O*)cc2)cc1 | 1.129755 |
*CCCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1 | 1.167602 |
*CCCCNC(=O)CCCCC(=O)N* | 1.083299 |
*CCCCNC(=O)CCCCCCC(=O)N* | 1.039222 |
*CCCCNC(=O)CCCCCCCCC(=O)N* | 1.014071 |
*CCCCO* | 0.97244 |
*CCCCOC(=O)CCC(=O)O* | 1.154961 |
*CCCCOC(=O)CCCCC(=O)O* | 1.09828 |
*CCCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1 | 1.188932 |
*CCCCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1 | 1.194436 |
*CCCOC(=O)c1ccc(C(=O)O*)cc1 | 1.225085 |
*CCCOC(=O)c1ccc2cc(C(=O)O*)ccc2c1 | 1.218379 |
*CCCS(=O)(=O)c1ccc(/N=N/c2ccc(N(CCCC)CC(=O)O*)cc2)cc1 | 1.178355 |
*CCCSS* | 1.238118 |
*CCOC(=O)C1CCC(C(=O)O*)CC1 | 1.143004 |
*CCOC(=O)NCC1(C)CC(NC(=O)O*)CC(C)(C)C1 | 1.089306 |
*CCOC(=O)c1ccc(C(=O)O*)c2ccccc12 | 1.278256 |
*CCOC(=O)c1cccc2c(C(=O)O*)cccc12 | 1.280732 |
*CCOCC(=O)O* | 1.268466 |
*CCOCCOC(=O)c1ccc(-c2ccc(C(=O)O*)cc2)cc1 | 1.215133 |
*CCOCCOC(=O)c1cccc(C(=O)O*)c1 | 1.245569 |
*CCOc1ccc(C(=O)OCCOC(=O)c2ccc(O*)cc2)cc1 | 1.239215 |
*CCS* | 1.177957 |
*CCc1cc(C)c(*)cc1C | 0.963046 |
*CCc1ccc(*)c(C)c1 | 1.002787 |
*CCc1ccc(*)c(Cl)c1 | 1.197078 |
*CS* | 1.336947 |
*Cc1cc(*)c(O)cc1C | 1.098554 |
*Cc1cc(C(C)(C)c2ccc3c(c2)CN(C)CO3)cc(CN(*)C)c1O | 1.087876 |
*Cc1ccc2[nH]c(-c3ccc4c(c3)-c3cc(-c5nc6cc(*)ccc6[nH]5)ccc3S4(=O)=O)nc2c1 | 1.209739 |
*Cc1ccc2[nH]c(-c3ccc4sc5ccc(-c6nc7cc(*)ccc7[nH]6)cc5c4c3)nc2c1 | 1.206599 |
*Cc1cccc(CNC(=O)CCCCC(=O)N*)c1 | 1.139826 |
*N(C(=O)CCCCC(=O)N(CCCCCC*)C)C | 1.018654 |
*N(C(=O)CCCCC(=O)NCCCCCC*)C | 1.018038 |
*N(C(=O)c1ccc(cc1)C(=O)N(CCCC*)C)C | 1.101612 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)CCCCCC*)cc1 | 1.227589 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Cc2ccc(cc2)*)cc1 | 1.23207 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2c3c(ccc2)c(ccc3)Oc2ccc(cc2)*)cc1 | 1.24125 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)c2ccc(cc2)*)cc1 | 1.235935 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2cc(ccc2)*)cc1 | 1.284994 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2cc(ccc2)S(=O)(=O)c2cc(ccc2)*)cc1 | 1.29753 |
*N1C(=O)c2c(C1=O)cc(cc2)Oc1ccc(cc1)S(=O)(=O)c1ccc(cc1)Oc1cc2c(C(=O)N(C2=O)c2ccc(cc2)Oc2ccc(cc2)*)cc1 | 1.275034 |
*N1C(=O)c2c(C1=O)cc(cc2)c1cc2c(C(=O)N(C2=O)c2ccc(cc2)Sc2ccc(cc2)*)cc1 | 1.250403 |
*N1C(=O)c2c(C1=O)cc(cc2)c1cc2c(C(=O)N(C2=O)c2ccc(cc2)c2ccc(cc2)*)cc1 | 1.230327 |
*N1C(CCC1)C(=O)* | 1.145244 |
*N=P(*)(OCC(F)(F)F)OCC(F)(F)F | 1.651958 |
*NC(=O)C* | 1.369447 |
*NC(=O)CCCCC(=O)NCCCCCC* | 1.044117 |
*NC(=O)CCCCC* | 1.032758 |
*NC(=O)CCCCCCC* | 0.982123 |
*NC(=O)CCCCCCCCC(=O)NCCCCCC* | 0.995087 |
*NC(=O)CCCCCCCCCC* | 0.942642 |
*NC(=O)NCCCCCC* | 1.028709 |
*NC(=O)NCCCCCCNC(=O)Nc1ccc(cc1)Cc1ccc(cc1)* | 1.122795 |
*NC(=O)NCc1ccc(cc1)CNC(=O)NCCCCCC* | 1.118168 |
*NC(=O)Nc1ccc(cc1)Cc1ccc(cc1)* | 1.155094 |
*NC(=O)c1cc(ccc1)C(=O)Nc1ccc(cc1)c1ccc(cc1)* | 1.197547 |
*NC(=O)c1ccc(cc1)C(=O)NCCCCCC* | 1.117494 |
*NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)* | 1.255555 |
*NC(=O)c1ccc(cc1)C(=O)Nc1ccc(cc1)c1ccc(cc1)* | 1.209707 |
*NC(=O)c1ccc(cc1)C(c1ccc(cc1)C(=O)NCCCCCC*)(C)C | 1.067141 |
*NC(=O)c1ccc(cc1)CC(=O)NCCC* | 1.176156 |
*NC(=O)c1ccc(cc1)CC(=O)NCCCCCC* | 1.107782 |
*NC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)NCCCCCC* | 1.119969 |
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