smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(C)c1ccc(-c2cc(=O)c3c(F)cc(O)c(O)c3o2)cc1 ZINC000103031142 185430226 /nfs/dbraw/zinc/43/02/26/185430226.db2.gz CTICYRQLUBBVSD-UHFFFAOYSA-N 0 2 315.300 3.076 1 10 DGCFLN CC(C)[C@@H](Nc1c2ccccc2[n+](O)c2ccccc12)C(=O)[O-] ZINC000005884191 181292838 /nfs/dbraw/zinc/29/28/38/181292838.db2.gz SBFNOHONVXXSTN-MRXNPFEDSA-N 0 2 310.353 3.148 1 10 DGCFLN CC(C)[C@H](Nc1c2ccccc2[n+](O)c2ccccc12)C(=O)[O-] ZINC000017193676 182079528 /nfs/dbraw/zinc/07/95/28/182079528.db2.gz SBFNOHONVXXSTN-INIZCTEOSA-N 0 2 310.353 3.148 1 10 DGCFLN Cc1cc(C)nc(Nc2nc(-c3ccc(O)c(O)c3)cs2)n1 ZINC000020070471 182185321 /nfs/dbraw/zinc/18/53/21/182185321.db2.gz WWONHXSTUSPHDN-UHFFFAOYSA-N 0 2 314.370 3.372 1 10 DGCFLN