smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1c2ccccc2c2c1[nH+]c1ccc(Cl)cc1c2N1CCC[N@H+](C)CC1 ZINC000084687223 205399687 /nfs/dbraw/zinc/39/96/87/205399687.db2.gz BMOVADJLKMAVPB-UHFFFAOYSA-N 2 1 378.907 4.675 1 5 GJBFMP Cn1c2ccccc2c2c1[nH+]c1ccc(Cl)cc1c2N1CCC[N@@H+](C)CC1 ZINC000084687223 205399694 /nfs/dbraw/zinc/39/96/94/205399694.db2.gz BMOVADJLKMAVPB-UHFFFAOYSA-N 2 1 378.907 4.675 1 5 GJBFMP CC[N@@H+](CCCC[NH3+])CCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000029055552 221689192 /nfs/dbraw/zinc/68/91/92/221689192.db2.gz IQXMRBSNLKAISX-UHFFFAOYSA-N 3 1 377.576 4.924 1 5 GJBFMP CC[N@@H+](CCCC[NH2+]CCCC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC000013644759 221277653 /nfs/dbraw/zinc/27/76/53/221277653.db2.gz GBDPXYDFTIIEBD-UHFFFAOYSA-N 3 1 377.576 4.924 1 5 GJBFMP