smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name NC[C@H](O)C[NH2+]CCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000013529681 211037446 /nfs/dbraw/zinc/03/74/46/211037446.db2.gz LOCTTWNAMANHSI-IBGZPJMESA-N 2 1 351.494 2.772 1 5 FFBFMP NC[C@@H](O)C[NH2+]CCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000013529678 220071962 /nfs/dbraw/zinc/07/19/62/220071962.db2.gz LOCTTWNAMANHSI-LJQANCHMSA-N 2 1 351.494 2.772 1 5 FFBFMP [NH3+]CCCNCCC[NH2+]CC(=O)Nc1c2ccccc2cc2ccccc21 ZINC000169328047 206251623 /nfs/dbraw/zinc/25/16/23/206251623.db2.gz HRXULYQLLKLJGM-UHFFFAOYSA-N 2 1 364.493 2.850 1 5 FFBFMP C[N@@H+](CCC[NH3+])CCCNc1ccc2ncn3c2c1c(=O)c1ccccc13 ZINC000101268370 222266196 /nfs/dbraw/zinc/26/61/96/222266196.db2.gz ZEBBQFUTDQBLGT-UHFFFAOYSA-N 2 1 363.465 2.521 1 5 FFBFMP