smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCN(C(=O)C2CC[NH+](Cc3cc(Cl)ccc3O)CC2)CC1 ZINC000000819232 206133777 /nfs/dbraw/zinc/13/37/77/206133777.db2.gz RCWKNRHNXQVDGK-UHFFFAOYSA-N 2 0 365.905 2.422 40 10 FECBRP C[C@]1(CCCOc2ccc(N)cc2)NC(=[NH2+])NC(=[NH2+])N1c1ccccc1 ZINC000001703067 132382313 /nfs/dbraw/zinc/38/23/13/132382313.db2.gz GXLIPJWSFDZQNU-IBGZPJMESA-N 2 0 352.442 2.294 40 10 FECBRP CN(C)c1ccc(CNc2ncnc3c2cnn3C2CC[NH2+]CC2)cc1 ZINC000228922434 548754131 /nfs/dbraw/zinc/75/41/31/548754131.db2.gz LHIBITPCKRUBQE-UHFFFAOYSA-N 2 0 351.458 2.429 40 10 FECBRP Oc1ccccc1C[NH2+]C1(Cc2cc(C[NH+]3CCCCC3)on2)COC1 ZINC000067898432 211278361 /nfs/dbraw/zinc/27/83/61/211278361.db2.gz IRGIFADJJVJODS-UHFFFAOYSA-N 2 0 357.454 2.467 40 10 biogenic,in-vitro FECBRP