smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc2c3c(n(CCC[NH2+]CCC[NH2+]CCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027642833	561875562	/nfs/dbraw/zinc/87/55/62/561875562.db2.gz	QXJYSBKQTZLMCT-UHFFFAOYSA-N	3	1	522.602	2.267	1	10		KECFMP
COc1cc2c3c(n(CCC[NH2+]CCCNCCC[NH2+]CCC[NH3+])c(=O)c2cc1OC)-c1cc2c(cc1C3=O)OCO2	ZINC000027649789	561876422	/nfs/dbraw/zinc/87/64/22/561876422.db2.gz	QUJZLISDHBTLIW-UHFFFAOYSA-N	3	1	579.698	2.247	1	10		KECFMP
Oc1ccc(CCNc2nc(N3CC[NH2+]CC3)nc(N3CCN(c4ccc(Cl)cc4)CC3)[nH+]2)cc1O	ZINC000028011993	561896490	/nfs/dbraw/zinc/89/64/90/561896490.db2.gz	ASUBAUGMSFNRFP-UHFFFAOYSA-N	2	1	511.030	2.327	1	10		KECFMP
NS(=O)(=O)c1ccc(Nc2c3ccccc3[nH+]c3c(C(=O)NCCC[NH+](CCO)CCO)cccc23)cc1	ZINC000073294954	562737665	/nfs/dbraw/zinc/73/76/65/562737665.db2.gz	ZXXSWUJLRCEGRM-UHFFFAOYSA-N	2	1	537.642	2.186	1	10		KECFMP