smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1c2ccccc2C(=O)c2c(NCCNCC[NH2+]CCO)ccc(NCCNCC[NH2+]CCO)c21	ZINC000022594816	563017147	/nfs/dbraw/zinc/01/71/47/563017147.db2.gz	FDLKSBYRWNHMTH-UHFFFAOYSA-N	2	0	498.628	-0.371	1	10		JBCFRP
O=C1c2ccncc2-c2nn(CC[NH2+]CCO)c3ccc(NCC[NH+](CCO)CCO)c1c32	ZINC000027627100	563047449	/nfs/dbraw/zinc/04/74/49/563047449.db2.gz	BKLRAASIHGOWAD-UHFFFAOYSA-N	2	0	454.531	-0.077	1	10		JBCFRP
O=C1c2c3c(ccc2NCC[NH+](CCO)CCO)n(CC[NH2+]CCO)nc3-c2c(O)ccc(O)c21	ZINC000028757654	563077882	/nfs/dbraw/zinc/07/78/82/563077882.db2.gz	NCIPNIBHRJPAJV-UHFFFAOYSA-N	2	0	485.541	-0.061	1	10		JBCFRP
C[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc2c(c1)C(=O)c1ccc(NC(=O)CNC(=O)[C@H](C)[NH3+])cc1C2=O	ZINC000040873633	563151771	/nfs/dbraw/zinc/15/17/71/563151771.db2.gz	HDFXTITYHSXVMQ-RYUDHWBXSA-N	2	0	494.508	-0.734	1	10		JBCFRP
[NH3+]CCNCC[NH2+]CCNc1ccc(NCC[NH2+]CCO)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000045300312	563185460	/nfs/dbraw/zinc/18/54/60/563185460.db2.gz	BRCAGEHBMBSIIN-UHFFFAOYSA-N	3	0	486.573	-0.583	1	10		JBCFRP