smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(Cc1ccc(/C=C/C(=O)N2CC[NH+](C)CC2)o1)S(C)(=O)=O ZINC000216781911 536463070 /nfs/dbraw/zinc/46/30/70/536463070.db2.gz STNLTAOYSIXHHP-VOTSOKGWSA-N 1 1 341.433 0.458 40 70 ECIBMO C[NH+]1CCN(c2cc(Nc3ccc(S(N)(=O)=O)cc3)ncn2)CC1 ZINC000216847951 241215857 /nfs/dbraw/zinc/21/58/57/241215857.db2.gz CKXIHMHMEZGOOH-UHFFFAOYSA-N 1 1 348.432 0.619 40 70 ECIBMO