smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1ccc(-n2c(-c3ccc[nH+]c3N)nc3cccnc32)cc1	ZINC000095580289	185381020	/nfs/dbraw/zinc/38/10/20/185381020.db2.gz	KNEPJZSAROVRPH-UHFFFAOYSA-N	1	2	302.341	2.647	1	10		DFCFLO
CC1=NN(c2ccccc2)C(=O)C1=C[NH2+]N(C)c1ccccc1	ZINC000005318167	181228787	/nfs/dbraw/zinc/22/87/87/181228787.db2.gz	VIUDHVQUIGAKRF-LGMDPLHJSA-N	1	2	306.369	2.934	3	10		DFCFLO
Nc1ccc(C[C@@H]([NH3+])c2csc(Nc3ncccn3)n2)cc1	ZINC000061897145	184193723	/nfs/dbraw/zinc/19/37/23/184193723.db2.gz	QCAXBFJHQPBNGN-GFCCVEGCSA-N	1	2	312.402	2.501	3	10		DFCFLO
CC[N@H+](C)Cc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1	ZINC000095591178	185382268	/nfs/dbraw/zinc/38/22/68/185382268.db2.gz	WWXKIYNBYXFAJS-UHFFFAOYSA-N	1	2	319.364	2.790	1	10		DFCFLO
CC[N@@H+](C)Cc1nc2c(ccc3c2C(=O)c2ccccc2C3=O)[nH]1	ZINC000095591178	185382269	/nfs/dbraw/zinc/38/22/69/185382269.db2.gz	WWXKIYNBYXFAJS-UHFFFAOYSA-N	1	2	319.364	2.790	1	10		DFCFLO
Cc1cc(C)n(-c2cc(NCc3ccc(N(C)C)cc3)[nH+]cn2)n1	ZINC000021713560	182284675	/nfs/dbraw/zinc/28/46/75/182284675.db2.gz	DTLQHHNKYBVQAT-UHFFFAOYSA-N	1	2	322.416	2.957	2	10		DFCFLO
Nc1ccc(C[C@H]([NH3+])c2csc(Nc3ncccn3)n2)cc1	ZINC000061897146	184193769	/nfs/dbraw/zinc/19/37/69/184193769.db2.gz	QCAXBFJHQPBNGN-LBPRGKRZSA-N	1	2	312.402	2.501	3	10		DFCFLO