smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)(C)CCOC(=O)[C@H]1CCC[N+](C)(Cc2ccccc2Cl)C1 ZINC000001583759 204013620 /nfs/dbraw/zinc/01/36/20/204013620.db2.gz DQTHJWPSWLKRDC-LBOXEOMUSA-N 2 0 354.922 2.946 40 5 FFBBRP C[NH+](C)CCNc1nnc(NCC[NH+](C)C)c2cc3ccccc3cc21 ZINC000001608070 210362433 /nfs/dbraw/zinc/36/24/33/210362433.db2.gz CAGGDZNDTTUHOE-UHFFFAOYSA-N 2 0 352.486 2.730 40 5 FFBBRP C[N+](C)(C)CCC[N+](C)(C)CCN1C(=O)c2cccc3cccc(c32)C1=O ZINC000005045564 219643775 /nfs/dbraw/zinc/64/37/75/219643775.db2.gz IRYIXWHGEOFGGJ-UHFFFAOYSA-N 2 0 369.509 2.609 40 5 FFBBRP CCc1[nH+]c(N)nc(N)c1-c1ccc(NCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000033794845 506363888 /nfs/dbraw/zinc/36/38/88/506363888.db2.gz RMCIAMGPYIRSIC-UHFFFAOYSA-N 2 0 373.461 2.710 40 5 FFBBRP C[N+](C)(C)CCOC(=O)[C@@H]1CCC[N+](C)(Cc2ccccc2Cl)C1 ZINC000004692651 506388504 /nfs/dbraw/zinc/38/85/04/506388504.db2.gz DQTHJWPSWLKRDC-PLEWWHCXSA-N 2 0 354.922 2.946 40 5 FFBBRP C[N+](C)(C)CCCOC(=O)CCCCCCC(=O)OCCC[N+](C)(C)C ZINC000004977197 506410986 /nfs/dbraw/zinc/41/09/86/506410986.db2.gz LDHFGCMWVVOKNG-UHFFFAOYSA-N 2 0 374.566 2.606 40 5 FFBBRP [NH3+]CCC[NH2+]Cc1c2ccccc2c(C[NH2+]CCC[NH3+])c2ccccc21 ZINC000001625741 506267043 /nfs/dbraw/zinc/26/70/43/506267043.db2.gz BQJUCQQJZVUAIK-UHFFFAOYSA-N 4 0 350.510 2.870 40 5 FFBBRP