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/Cc1ccccc1)\c1ccccc1 100058772 166046227 /nfs/dbraw/zinc/04/62/27/166046227.db2.gz MIYKHJXFICMPOJ-RVDMUPIBSA-N 0 3 195.265 3.306 50 30 in-vitro AGEAHN C(=N/C1CCCCC1)\c1ccccc1 18159307 166046343 /nfs/dbraw/zinc/04/63/43/166046343.db2.gz QKSQEJXIILKPDX-SDNWHVSQSA-N 0 3 187.286 3.438 50 30 AGEAHN C=CCNCc1ccc(C(C)C)cc1 7009335 166187476 /nfs/dbraw/zinc/18/74/76/166187476.db2.gz UJZOUXKMJQAGCZ-UHFFFAOYSA-N 0 3 189.302 3.086 50 30 in-vitro AGEAHN CCCCCCCCCNCCC#N 2528071 171006891 /nfs/dbraw/zinc/00/68/91/171006891.db2.gz CAFGPNNBWKTIMV-UHFFFAOYSA-N 0 3 196.338 3.240 50 30 in-vitro AGEAHN CN=C(c1ccccc1)c1ccccc1 2391905 342972177 /nfs/dbraw/zinc/97/21/77/342972177.db2.gz CCMGSLBRZVENEP-UHFFFAOYSA-N 0 3 195.265 3.154 50 30 in-vitro AGEAHN