smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(C(F)(F)F)cc1	ZINC000020503777	545656694	/nfs/dbraw/zinc/65/66/94/545656694.db2.gz	QFFIVUOEHVSEFL-YQQAZPJKSA-N	2	2	322.374	3.139	40	30	biogenic,in-vitro	DGEBLP
C#C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(C(F)(F)F)cc1	ZINC000020503777	545656700	/nfs/dbraw/zinc/65/67/00/545656700.db2.gz	QFFIVUOEHVSEFL-YQQAZPJKSA-N	2	2	322.374	3.139	40	30	biogenic,in-vitro	DGEBLP
N#CCC[NH+]1CCC(CCCC2CC[NH+](CCC#N)CC2)CC1	ZINC000002009453	331468494	/nfs/dbraw/zinc/46/84/94/331468494.db2.gz	CUFGCSGPBRYOBH-UHFFFAOYSA-N	2	2	316.493	3.408	40	30		DGEBLP
C=CC[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1	ZINC000255190252	563637408	/nfs/dbraw/zinc/63/74/08/563637408.db2.gz	VXNOGMDDBZXRBA-GOSISDBHSA-N	2	2	301.478	3.006	40	30		DGEBLP
C=CC[NH2+][C@H](c1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1	ZINC000255190253	202910747	/nfs/dbraw/zinc/91/07/47/202910747.db2.gz	VXNOGMDDBZXRBA-SFHVURJKSA-N	2	2	301.478	3.006	40	30		DGEBLP
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(SC)cc1	ZINC000039560694	400398820	/nfs/dbraw/zinc/39/88/20/400398820.db2.gz	SGBWOGRCJGXWOP-YESZJQIVSA-N	2	2	302.487	3.395	40	30	biogenic,in-vitro	DGEBLP
C=C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2C[NH2+]Cc1ccc(SC)cc1	ZINC000039560694	400398824	/nfs/dbraw/zinc/39/88/24/400398824.db2.gz	SGBWOGRCJGXWOP-YESZJQIVSA-N	2	2	302.487	3.395	40	30	biogenic,in-vitro	DGEBLP