diff options
Diffstat (limited to 'cv/data/csv/RAT_electronic_cpsa.csv')
| -rw-r--r-- | cv/data/csv/RAT_electronic_cpsa.csv | 512 |
1 files changed, 512 insertions, 0 deletions
diff --git a/cv/data/csv/RAT_electronic_cpsa.csv b/cv/data/csv/RAT_electronic_cpsa.csv new file mode 100644 index 0000000..876c6d7 --- /dev/null +++ b/cv/data/csv/RAT_electronic_cpsa.csv @@ -0,0 +1,512 @@ +SMILES,WPSA-3,TPSA,apol,bpol,RNCG,PPSA-3,DPSA-1,RNCS,RPSA,FNSA-1,RPCG,THSA,RPCS,FNSA-3,nHBAcc,RHSA,FPSA-1,FPSA-2,FPSA-3,PNSA-3 +InChI%3D1S%2FC19H27NO7%2Fc1-11-9-19%2812%282%2927-19%2917%2823%2926-14-6-8-20%284%297-5-13%2815%2814%2921%2910-25-16%2822%2918%2811%2C3%2924%2Fh5%2C11-12%2C14%2C24H%2C6-10H2%2C1-4H3,11.1058168411255,140.182739257812,58.1574096679688,40.1185874938965,0.141917109489441,19.0705699920654,274.479400634766,2.39669132232666,0.240717515349388,0.264336168766022,0.111287288367748,442.170989990234,0.0,-0.0675310268998146,8.0,0.759282469749451,0.735663831233978,1.96453440189362,0.0327473990619183,-39.3269424438477 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