smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1c2cc3c(ccn(-c4cc[nH]n4)c3=O)nc2ccn1CC[NH+]1CCOCC1	ZINC000040399059	205063556	/nfs/dbraw/zinc/06/35/56/205063556.db2.gz	KRJKPQNIMUBMEZ-UHFFFAOYSA-N	1	2	392.419	0.756	40	5		GCBBLO
COC[C@@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000016194342	570319168	/nfs/dbraw/zinc/31/91/68/570319168.db2.gz	RZIHNRZICHVBKB-LBPRGKRZSA-N	1	2	398.372	0.419	40	5		GCBBLO
Cn1nc(CCNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c2c1nc[nH+]c2N	ZINC000004235807	204033515	/nfs/dbraw/zinc/03/35/15/204033515.db2.gz	RQQDRIOYQPSSOR-UHFFFAOYSA-N	1	2	386.328	0.734	40	5		GCBBLO
Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCCn3cc[nH+]c3)c(=O)n2c1	ZINC000100848198	212064846	/nfs/dbraw/zinc/06/48/46/212064846.db2.gz	YPZDBTLKAPSVQX-UHFFFAOYSA-N	1	2	377.408	0.823	40	5		GCBBLO
CS(=O)(=O)N(CC(=O)NCCCn1cc[nH+]c1)c1cccc([N+](=O)[O-])c1	ZINC000408607421	533376345	/nfs/dbraw/zinc/37/63/45/533376345.db2.gz	MCBWMQBQZFFWKV-UHFFFAOYSA-N	1	2	381.414	0.764	40	5		GCBBLO
COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000004909031	570359932	/nfs/dbraw/zinc/35/99/32/570359932.db2.gz	XKEHIJDFRYPCOI-UHFFFAOYSA-N	1	2	380.401	0.769	40	5		GCBBLO
COC[C@H](O)C[NH+]1CCN(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000016194343	221358687	/nfs/dbraw/zinc/35/86/87/221358687.db2.gz	RZIHNRZICHVBKB-GFCCVEGCSA-N	1	2	398.372	0.419	40	5		GCBBLO