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)c1ccc([C@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000013638265 556541591 /nfs/dbraw/zinc/54/15/91/556541591.db2.gz IDGVFFMTDKAWOC-QFIPXVFZSA-N 2 2 432.576 2.597 40 10 IFCBLP CN(C)c1ccc([C@@H]2NC3=[NH+]CN(CCC[NH+](C)C)CN3c3nc4ccccc4n32)cc1 ZINC000013638262 556541557 /nfs/dbraw/zinc/54/15/57/556541557.db2.gz IDGVFFMTDKAWOC-JOCHJYFZSA-N 2 2 432.576 2.597 40 10 IFCBLP CNc1nc([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1C[NH2+]CC2 ZINC000072372308 556942210 /nfs/dbraw/zinc/94/22/10/556942210.db2.gz DGVHZGDYKHSYKX-QFIPXVFZSA-N 2 2 440.567 2.867 40 10 IFCBLP CNc1nc([C@@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1C[NH2+]CC2 ZINC000072372308 556942212 /nfs/dbraw/zinc/94/22/12/556942212.db2.gz DGVHZGDYKHSYKX-QFIPXVFZSA-N 2 2 440.567 2.867 40 10 IFCBLP CNc1nc([C@H]2CCCC[N@@H+]2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1C[NH2+]CC2 ZINC000072372309 556942287 /nfs/dbraw/zinc/94/22/87/556942287.db2.gz DGVHZGDYKHSYKX-JOCHJYFZSA-N 2 2 440.567 2.867 40 10 IFCBLP CNc1nc([C@H]2CCCC[N@H+]2Cc2ccc(N3CCOCC3)c(F)c2)nc2c1C[NH2+]CC2 ZINC000072372309 556942289 /nfs/dbraw/zinc/94/22/89/556942289.db2.gz DGVHZGDYKHSYKX-JOCHJYFZSA-N 2 2 440.567 2.867 40 10 IFCBLP