smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCN(CC(=O)N[C@H](C=O)CCCNC(N)=[NH2+])C(=O)[C@H]1CCCCN1 ZINC000003823933 206991527 /nfs/dbraw/zinc/99/15/27/206991527.db2.gz KOKYFHPHCVVGMH-UONOGXRCSA-N 1 3 368.482 -0.686 1 30 FBEFHO N=C(N)c1cccc(C=NNC(=N)NN=Cc2cccc(C(N)=[NH2+])n2)n1 ZINC000013861139 220097935 /nfs/dbraw/zinc/09/79/35/220097935.db2.gz KWNCZAHKNLRNOR-KVJLFNRQSA-N 1 3 351.378 -0.473 1 30 FBEFHO N#Cc1ccc(Nc2nc(N3CCNCC3)nc(N3CC[NH2+]CC3)n2)cn1 ZINC000084688032 132198946 /nfs/dbraw/zinc/19/89/46/132198946.db2.gz NMQNMSKHRJRKNG-UHFFFAOYSA-N 1 3 366.433 -0.299 1 30 FBEFHO