smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)c1ccc(Nc2cc[nH+]c3ccccc23)cc1[N+](=O)[O-] ZINC000013283725 555371541 /nfs/dbraw/zinc/37/15/41/555371541.db2.gz MXGOPNVMLYFVTE-UHFFFAOYSA-N 2 1 476.496 6.278 40 5 JKBBMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c2c1ccc1c(N[C@@H](C)CCC[NH+](CC)CC)ccnc12 ZINC000004428707 194389990 /nfs/dbraw/zinc/38/99/90/194389990.db2.gz AIVNBTKNMKJHQV-PSWAGMNNSA-N 3 1 492.756 6.628 40 5 JKBBMP Nc1ccc2c(c1)[nH+]c1ccccc1c2SCCSc1c2ccccc2[nH+]c2cc(N)ccc21 ZINC000005615616 527509068 /nfs/dbraw/zinc/50/90/68/527509068.db2.gz MRJHDAKEJAELBN-UHFFFAOYSA-N 2 1 478.646 7.138 40 5 JKBBMP