smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CCCNc1ccc(NCCC[NH+](C)C)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000031430846	563083358	/nfs/dbraw/zinc/08/33/58/563083358.db2.gz	CNGKXZFBPNRCIV-UHFFFAOYSA-N	2	0	440.544	2.600	1	10		IFCFRP
CC[NH+](CC)CCNc1nnc(NCC[NH+](CC)CC)c2c1C(=O)c1ccccc1C2=O	ZINC000027624934	563044582	/nfs/dbraw/zinc/04/45/82/563044582.db2.gz	UTTOKRWHTQSFIG-UHFFFAOYSA-N	2	0	438.576	2.759	1	10		IFCFRP
COc1cccc2c1cc(C(=O)NCCc1cc[n+](C)cc1)n2Cc1cccc(C(N)=[NH2+])c1	ZINC000013474296	562988733	/nfs/dbraw/zinc/98/87/33/562988733.db2.gz	QIAFJGIRRSTEBK-UHFFFAOYSA-O	2	0	442.543	2.779	1	10		IFCFRP
[NH3+]CC(=O)NCCS(=O)(=O)Nc1ccc(Nc2c3ccccc3[nH+]c3ccccc32)cc1	ZINC000026846761	563037652	/nfs/dbraw/zinc/03/76/52/563037652.db2.gz	VJGPCVUSIIWDTE-UHFFFAOYSA-N	2	0	449.536	2.948	1	10		IFCFRP
CCC[NH2+]CCNc1ccc(NCC[NH2+]CCC)c2c1C(=O)c1c(O)ccc(O)c1C2=O	ZINC000059191590	563146344	/nfs/dbraw/zinc/14/63/44/563146344.db2.gz	RODARNIVAJHEDN-UHFFFAOYSA-N	2	0	440.544	2.696	1	10		IFCFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCCN1CC[NH2+]CC1)c3C(=O)c1ccccc1-2	ZINC000028758837	563063580	/nfs/dbraw/zinc/06/35/80/563063580.db2.gz	ULXQIVNKJXAZIG-UHFFFAOYSA-N	2	0	446.599	2.907	1	10		IFCFRP
C[NH+](C)CCSCCNc1ccc2c3c(nn2CC[NH+](C)C)-c2cnccc2C(=O)c31	ZINC000095586365	563189194	/nfs/dbraw/zinc/18/91/94/563189194.db2.gz	LXUUBFKSSUTUAB-UHFFFAOYSA-N	2	0	438.601	2.911	1	10		IFCFRP
CNC(=S)N(C)CCNc1c2ccccc2[nH+]c2c(C(=O)NCC[NH+](C)C)cccc12	ZINC000034644434	563086770	/nfs/dbraw/zinc/08/67/70/563086770.db2.gz	JMRPXMNDNKNWFX-UHFFFAOYSA-N	2	0	438.601	2.527	1	10		IFCFRP