smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2c3cc(NCC[NH+](C)C)ccc3n(CC[NH+](C)C)c2nc2ccccc21	ZINC000084742314	205398413	/nfs/dbraw/zinc/39/84/13/205398413.db2.gz	RTTIKBHDHKOSNI-UHFFFAOYSA-N	2	0	389.547	4.186	1	5		GIBFRP
CC[NH+](CC)CCNc1c2[nH]c3c(cc(F)cc3F)c2[n+](C)c2ccccc21	ZINC000055734801	205150486	/nfs/dbraw/zinc/15/04/86/205150486.db2.gz	RNZRDQFDLYXXCX-UHFFFAOYSA-O	2	0	383.466	4.331	1	5		GIBFRP
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH3+])c3sc1ccccc21	ZINC000029330980	207361492	/nfs/dbraw/zinc/36/14/92/207361492.db2.gz	XZPXOQAUTFEAGL-UHFFFAOYSA-N	2	0	381.549	4.117	1	5		GIBFRP
CC[NH+](CC)CCNc1ccc(C[NH+](C)C)c2sc3ccccc3c(=O)c12	ZINC000100953450	208385657	/nfs/dbraw/zinc/38/56/57/208385657.db2.gz	XRCMQPCSWAVMEH-UHFFFAOYSA-N	2	0	383.561	4.230	1	5		GIBFRP
Cc1c2c3ccccc3n(CC[NH+](C)C)c2nc2ccc(OCC[NH+](C)C)cc21	ZINC000084688600	208095213	/nfs/dbraw/zinc/09/52/13/208095213.db2.gz	NJAGDFBMPZRKOJ-UHFFFAOYSA-N	2	0	390.531	4.153	1	5		GIBFRP
CC[NH+](CC)CCCNc1ccc(C[NH2+]C)c2sc3ccccc3c(=O)c12	ZINC000100891915	211392594	/nfs/dbraw/zinc/39/25/94/211392594.db2.gz	KDDYZUZYNYTINL-UHFFFAOYSA-N	2	0	383.561	4.278	1	5		GIBFRP
Cc1c2c3cc(OCC[NH+](C)C)ccc3n(CC[NH+](C)C)c2nc2ccccc21	ZINC000084741299	222322170	/nfs/dbraw/zinc/32/21/70/222322170.db2.gz	BMXLSSJVYHSNCS-UHFFFAOYSA-N	2	0	390.531	4.153	1	5		GIBFRP
Cc1c2c3ccccc3n(CC[NH+](C)C)c2nc2ccc(NCC[NH+](C)C)cc21	ZINC000084672010	222320249	/nfs/dbraw/zinc/32/02/49/222320249.db2.gz	DTSAMARCWLEZJY-UHFFFAOYSA-N	2	0	389.547	4.186	1	5		GIBFRP