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)CCNC(=O)c1cccc2c1nc1ccccc1c2-c1ccccc1 ZINC000005957864 204232090 /nfs/dbraw/zinc/23/20/90/204232090.db2.gz OWMIGERTWFJWTP-UHFFFAOYSA-N 0 3 369.468 4.346 10 5 FIBEHN O=c1cc(CN2CCC(c3cc[nH]n3)CC2)c2c(ccc3ccccc32)o1 ZINC000195506559 1103095533 /nfs/dbraw/zinc/09/55/33/1103095533.db2.gz BEUBZNZIFYIQBO-UHFFFAOYSA-N 0 3 359.429 4.049 10 5 FIBEHN Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000182618188 1094148230 /nfs/dbraw/zinc/14/82/30/1094148230.db2.gz NCWNBPOMUIWWFA-KRWDZBQOSA-N 0 3 373.497 4.079 10 5 FIBEHN Cn1nccc1C1CCN(Cc2cc(=O)oc3ccc4ccccc4c23)CC1 ZINC000195503459 1103090963 /nfs/dbraw/zinc/09/09/63/1103090963.db2.gz FPMPYUNHMLREEQ-UHFFFAOYSA-N 0 3 373.456 4.059 10 5 FIBEHN Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCC(C(=O)N2CCCCCC2)CC1 ZINC000182618170 1094147653 /nfs/dbraw/zinc/14/76/53/1094147653.db2.gz NCWNBPOMUIWWFA-QGZVFWFLSA-N 0 3 373.497 4.079 10 5 FIBEHN