smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCc1cc(C[N@H+](C)C[C@H]2CCN(C)C2)cc(OC)c1O	ZINC000057811506	184055650	/nfs/dbraw/zinc/05/56/50/184055650.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	1	3	304.434	2.513	40	30		DFEBHO
C=CCc1cc(C[N@@H+](C)C[C@H]2CCN(C)C2)cc(OC)c1O	ZINC000057811506	184055651	/nfs/dbraw/zinc/05/56/51/184055651.db2.gz	JORZCOJJOBZATR-AWEZNQCLSA-N	1	3	304.434	2.513	40	30		DFEBHO
C[NH+](C)[C@@H]1CCOC2(CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108526197	426017762	/nfs/dbraw/zinc/01/77/62/426017762.db2.gz	WSMBACUGVNHYGW-GOSISDBHSA-N	1	3	313.445	2.633	40	30		DFEBHO
C=CCc1cc(C[N@H+](C)C[C@@H]2CCN(C)C2)cc(OC)c1O	ZINC000057811509	184055409	/nfs/dbraw/zinc/05/54/09/184055409.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	1	3	304.434	2.513	40	30		DFEBHO
C=CCc1cc(C[N@@H+](C)C[C@@H]2CCN(C)C2)cc(OC)c1O	ZINC000057811509	184055411	/nfs/dbraw/zinc/05/54/11/184055411.db2.gz	JORZCOJJOBZATR-CQSZACIVSA-N	1	3	304.434	2.513	40	30		DFEBHO
C[NH+](C)[C@H]1CCOC2(CCN(Cc3ccc(C#N)cc3)CC2)C1	ZINC000108526200	185518694	/nfs/dbraw/zinc/51/86/94/185518694.db2.gz	WSMBACUGVNHYGW-SFHVURJKSA-N	1	3	313.445	2.633	40	30		DFEBHO
CN(C)C(=N)NC(=[NH2+])Nc1cc2ccccc2c2ccccc12	ZINC000006426044	425628138	/nfs/dbraw/zinc/62/81/38/425628138.db2.gz	MSUGPBMWXGOSMM-UHFFFAOYSA-N	1	3	305.385	2.816	40	30		DFEBHO