smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccc(S(=O)(=O)F)c(Cl)c2)c1 ZINC000043307596 563169440 /nfs/dbraw/zinc/16/94/40/563169440.db2.gz CPIZNVKCRSRNEQ-UHFFFAOYSA-N 2 1 465.982 3.749 40 70 JHIBMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccc(Cl)c(S(=O)(=O)F)c2)c1 ZINC000043845607 563171172 /nfs/dbraw/zinc/17/11/72/563171172.db2.gz FWXSKQKTXSXNAF-UHFFFAOYSA-N 2 1 465.982 3.749 40 70 JHIBMP CC1(C)NC(=[NH2+])NC(=[NH2+])N1c1cccc(CCCCc2ccc(S(=O)(=O)F)cc2Cl)c1 ZINC000043307511 563169405 /nfs/dbraw/zinc/16/94/05/563169405.db2.gz VOKDNZNHYBZQDV-UHFFFAOYSA-N 2 1 465.982 3.749 40 70 JHIBMP