smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Oc1cc(N2CC[NH2+]CC2)ccc1CN1CCN(C2CC[NH2+]CC2)CC1 ZINC001235699868 1259582254 /nfs/dbraw/zinc/58/22/54/1259582254.db2.gz SWTOAQCCFXIMED-UHFFFAOYSA-N 2 3 359.518 0.671 20 10 FCCDHP CCN1CCN(c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)CC1 ZINC001235872080 1259584258 /nfs/dbraw/zinc/58/42/58/1259584258.db2.gz ZLRAQASPRUGOJY-UHFFFAOYSA-N 2 3 374.577 0.413 20 10 FCCDHP CN1CCN(c2ccc(CN3CC[NH2+]CCNCC[NH2+]CC3)cc2)CC1 ZINC001235871433 1259582828 /nfs/dbraw/zinc/58/28/28/1259582828.db2.gz RBBNSCLOHSTDLT-UHFFFAOYSA-N 2 3 360.550 0.023 20 10 FCCDHP