smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#CC1([NH2+]CCCCCC[NH2+]C2(C#N)CCCCC2)CCCCC1 ZINC000095351730 563976686 /nfs/dbraw/zinc/97/66/86/563976686.db2.gz QUSSISKJJOVLJS-UHFFFAOYSA-N 2 2 330.520 4.179 50 30 EIEALP C=CCOc1ccccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000058165455 564035567 /nfs/dbraw/zinc/03/55/67/564035567.db2.gz QSEQKHZPTNAGFG-UHFFFAOYSA-N 2 2 336.479 4.006 50 30 EIEALP C=CC[NH+]1CCC([NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091334244 564087510 /nfs/dbraw/zinc/08/75/10/564087510.db2.gz AKOUDCADEQERTM-GOSISDBHSA-N 2 2 338.417 4.397 50 30 EIEALP C=CC[NH+]1CCC([NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000091334245 564087524 /nfs/dbraw/zinc/08/75/24/564087524.db2.gz AKOUDCADEQERTM-SFHVURJKSA-N 2 2 338.417 4.397 50 30 EIEALP