smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)C[C@H](O)c1cc2n(n1)CCCN(C1CC[NH+](C3CCCC3)CC1)C2 ZINC000218347379 570332212 /nfs/dbraw/zinc/33/22/12/570332212.db2.gz JZOSXGJERWYTST-NRFANRHFSA-N 2 0 375.561 2.091 50 70 GEIARP CC[N@@H+]1CCCN(Cc2ccccc2OC[C@@H](O)C[NH+]2CCSCC2)CC1 ZINC000217492073 570317119 /nfs/dbraw/zinc/31/71/19/570317119.db2.gz XCKZTTMFKSVJQH-FQEVSTJZSA-N 2 0 393.597 2.003 50 70 GEIARP C[NH+](C)C[C@@H](O)c1cc2n(n1)CCCN(C1CC[NH+](C3CCCC3)CC1)C2 ZINC000218347290 570332121 /nfs/dbraw/zinc/33/21/21/570332121.db2.gz JZOSXGJERWYTST-OAQYLSRUSA-N 2 0 375.561 2.091 50 70 GEIARP CC[N@@H+]1CCCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+](C)C(C)C)c2)CC1 ZINC000217096116 570312783 /nfs/dbraw/zinc/31/27/83/570312783.db2.gz VDTCESMVHFERCP-FQEVSTJZSA-N 2 0 393.572 2.303 50 70 GEIARP