smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[N+](C)([NH3+])CCCN1c2ccccc2Sc2ccc(Cl)cc21 ZINC000028246294 202168508 /nfs/dbraw/zinc/16/85/08/202168508.db2.gz CSUMXQFRJKILGE-UHFFFAOYSA-N 2 0 334.896 4.283 1 5 EIBFRP Cn1c2ccccc2c2c1c1ccccc1[nH+]c2NCC(C)(C)C[NH3+] ZINC000169309472 534711415 /nfs/dbraw/zinc/71/14/15/534711415.db2.gz OUUVYZHJKLZPDF-UHFFFAOYSA-N 2 0 332.451 4.277 1 5 EIBFRP Cc1c[nH+]c(NCCC[NH+](C)C)c2c1[nH]c1ccc3ccccc3c12 ZINC000101469078 219127907 /nfs/dbraw/zinc/12/79/07/219127907.db2.gz PWBQUOONJKAXNI-UHFFFAOYSA-N 2 0 332.451 4.493 1 5 EIBFRP CC[NH+](CC)CCNc1c2[nH]c3ccccc3c2[n+](C)c2ccccc21 ZINC000055669659 214337621 /nfs/dbraw/zinc/33/76/21/214337621.db2.gz UMIYOWAGIUAAFR-UHFFFAOYSA-O 2 0 347.486 4.053 1 5 EIBFRP