smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(C[N@H+](CCCn2ccnc2)Cc2cc(F)cc(F)c2)cc1 ZINC000043277735 570626267 /nfs/dbraw/zinc/62/62/67/570626267.db2.gz NYLCKXYAAPOCQQ-UHFFFAOYSA-N 2 0 384.474 4.320 40 10 GICBRP CC[N+](CC)(CC)CCOc1ccc(N(C)CC[N+](CC)(CC)CC)cc1 ZINC000005333411 570434304 /nfs/dbraw/zinc/43/43/04/570434304.db2.gz AFMMSECPBHTMKQ-UHFFFAOYSA-N 2 0 379.633 4.255 40 10 GICBRP COc1ccc2[nH+]c3cc(Cl)ccc3c(NCCC[NH2+]CC[C@H](C)O)c2c1 ZINC000004748025 570402105 /nfs/dbraw/zinc/40/21/05/570402105.db2.gz RYAXTIKEXIPLPG-AWEZNQCLSA-N 2 0 387.911 4.213 40 10 GICBRP