smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCCC(=O)N1CCC(N2CCC[C@@H]2COCc2ccccc2)CC1)c1ccccc1 ZINC000217597969 569449750 /nfs/dbraw/zinc/44/97/50/569449750.db2.gz ZVVMHVSSDLDMSP-AREMUKBSSA-N 0 3 448.607 4.712 50 70 IJIAHN O=C(CSCc1ccccc1)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217591275 569449514 /nfs/dbraw/zinc/44/95/14/569449514.db2.gz XOVHXONVIXVGKU-UHFFFAOYSA-N 0 3 442.600 4.593 50 70 IJIAHN O=C(CCCC(=O)N1CCC(N2CCC[C@H]2COCc2ccccc2)CC1)c1ccccc1 ZINC000217597894 569449731 /nfs/dbraw/zinc/44/97/31/569449731.db2.gz ZVVMHVSSDLDMSP-SANMLTNESA-N 0 3 448.607 4.712 50 70 IJIAHN CC(C)(C)c1ccc(C(=O)N2CCC(N3CCC(Oc4nccs4)CC3)CC2)cc1 ZINC000217593445 569449705 /nfs/dbraw/zinc/44/97/05/569449705.db2.gz MHMMPGUMMXIGMG-UHFFFAOYSA-N 0 3 427.614 4.589 50 70 IJIAHN