diff options
Diffstat (limited to '5x_cv/csv/smiles/MDD_electronic_cpsa.csv.~1~')
| -rw-r--r-- | 5x_cv/csv/smiles/MDD_electronic_cpsa.csv.~1~ | 1201 |
1 files changed, 0 insertions, 1201 deletions
diff --git a/5x_cv/csv/smiles/MDD_electronic_cpsa.csv.~1~ b/5x_cv/csv/smiles/MDD_electronic_cpsa.csv.~1~ deleted file mode 100644 index 68b8646..0000000 --- a/5x_cv/csv/smiles/MDD_electronic_cpsa.csv.~1~ +++ /dev/null @@ -1,1201 +0,0 @@ -SMILES,WNSA-3,PPSA-1,DPSA-1,PPSA-2,THSA,WPSA-1,DPSA-2,PPSA-3,WPSA-2,apol,bpol,RNCG,WPSA-3,DPSA-3,nHBAcc,RPSA,RNCS,RPCG,FNSA-1,FPSA-1,nHBDon,RPCS,FNSA-2,FPSA-2,PNSA-1,RHSA,FNSA-3,FPSA-3,PNSA-2,WNSA-1,PNSA-3,TPSA,WNSA-2 -CCOC(=Nc1ccc2Sc3ccccc3N(C(=O)CCN3CCOCC3)c2c1)O, -29.4473552703857, 499.93017578125, 248.089920043945, 1204.02099609375, 637.064270019531, 375.832733154297, 1810.54772949219, 27.8897819519043, 905.1474609375, 64.7978286743164, 39.68017578125, 0.157128661870956, 20.9667148590088, 67.0604553222656, 7.0, 0.152581334114075, 3.72307181358337, 0.117727920413017, 0.334996223449707, 0.665003776550293, 1.0, 0.622000575065613, -0.806797683238983, 1.6015807390213, 251.840255737305, 0.847418665885925, -0.0521045662462711, 0.037098802626133, 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