smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)NCC([O-])=C[N+]#N 5278618 166269074 /nfs/dbraw/zinc/26/90/74/166269074.db2.gz AWQOQGIWENXZKW-UHFFFAOYSA-N 0 1 141.130 -1.008 50 10 AACAMN NC=C1C(=O)NC(=O)NC1=O 5409928 169173615 /nfs/dbraw/zinc/17/36/15/169173615.db2.gz RMIBANWXTATJSG-UHFFFAOYSA-N 0 1 155.113 -1.805 50 10 AACAMN O=C1NC(=O)C(=CNC2CC2)C(=O)N1 6192209 169384341 /nfs/dbraw/zinc/38/43/41/169384341.db2.gz KINYNGDVVNZAFC-UHFFFAOYSA-N 0 1 195.178 -1.012 50 10 AACAMN