smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCCC(=O)N[C@@]1(C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)CCc2ccccc2C1 ZINC000013606837 562997361 /nfs/dbraw/zinc/99/73/61/562997361.db2.gz SZBBKBVEFNNLQZ-VWLOTQADSA-N 2 3 445.652 1.645 1 0 IDAFHP CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCNCCC[NH2+]CCCC[NH3+] ZINC000034012559 563085319 /nfs/dbraw/zinc/08/53/19/563085319.db2.gz IEZIMVPEYHHJBM-NRFANRHFSA-N 2 3 435.613 1.034 1 0 IDAFHP CCCC(=O)N1Cc2ccc(O)cc2C[C@H]1C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000013606825 562997354 /nfs/dbraw/zinc/99/73/54/562997354.db2.gz NNECBHVUDIYMHT-QFIPXVFZSA-N 2 3 447.624 1.260 1 0 IDAFHP CCCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000013606792 562997331 /nfs/dbraw/zinc/99/73/31/562997331.db2.gz PLGCRRMDFNHBDE-QFIPXVFZSA-N 2 3 431.625 1.555 1 0 IDAFHP CCCC(=O)N[C@@H](CCc1ccccc1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000013606827 562997407 /nfs/dbraw/zinc/99/74/07/562997407.db2.gz RSEXFRQQJHVYPG-QFIPXVFZSA-N 2 3 433.641 1.719 1 0 IDAFHP CCCC(=O)N1Cc2ccc(O)cc2C[C@@H]1C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000013606822 562997374 /nfs/dbraw/zinc/99/73/74/562997374.db2.gz NNECBHVUDIYMHT-JOCHJYFZSA-N 2 3 447.624 1.260 1 0 IDAFHP CCCC(=O)N[C@@H](Cc1cccc(O)c1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000013835271 563012159 /nfs/dbraw/zinc/01/21/59/563012159.db2.gz NLDGFJPZWOAGLS-NRFANRHFSA-N 2 3 435.613 1.034 1 0 IDAFHP CCCC(=O)NC1(C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)Cc2ccccc2C1 ZINC000013606813 562997381 /nfs/dbraw/zinc/99/73/81/562997381.db2.gz PLLRWQNLMBFRBQ-UHFFFAOYSA-N 2 3 431.625 1.255 1 0 IDAFHP CCCC(=O)N[C@]1(C(=O)NCCC[NH2+]CCCC[NH2+]CCCN)CCc2ccccc2C1 ZINC000013606840 562997392 /nfs/dbraw/zinc/99/73/92/562997392.db2.gz SZBBKBVEFNNLQZ-RUZDIDTESA-N 2 3 445.652 1.645 1 0 IDAFHP CCCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCCC[NH2+]CCCC[NH2+]CCCN ZINC000028476349 563055752 /nfs/dbraw/zinc/05/57/52/563055752.db2.gz DTWANULJDRVTFI-OAQYLSRUSA-N 2 3 435.613 1.034 1 0 IDAFHP