smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)[nH+]1	ZINC000134969302	1017891883	/nfs/dbraw/zinc/89/18/83/1017891883.db2.gz	RXELRLFCWWMHSP-AWEZNQCLSA-N	2	1	326.469	3.643	10	30		EHEEMP
C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135689	1123167443	/nfs/dbraw/zinc/16/74/43/1123167443.db2.gz	NUTINYCAWIRQKV-DOTOQJQBSA-N	2	1	325.481	3.792	10	30		EHEEMP
C#CCCOc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cc1	ZINC000116924487	1037845670	/nfs/dbraw/zinc/84/56/70/1037845670.db2.gz	CMEKEVAZGLKJIJ-UHFFFAOYSA-N	2	1	349.478	3.551	10	30		EHEEMP
Cn1cc[nH+]c1CC1CC[NH+](Cc2ccccc2C(C)(C)C#N)CC1	ZINC000135199231	1028176025	/nfs/dbraw/zinc/17/60/25/1028176025.db2.gz	OAIIEIHZIMNMQP-UHFFFAOYSA-N	2	1	336.483	3.676	10	30		EHEEMP
Cc1ccc(N2CCC([NH2+][C@@H](C)c3ccc(C#N)s3)CC2)[nH+]c1	ZINC000135007348	1018252173	/nfs/dbraw/zinc/25/21/73/1018252173.db2.gz	KLCMMHIRWLLHKS-AWEZNQCLSA-N	2	1	326.469	3.643	10	30		EHEEMP
C=CCn1cc(C[N@@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1	ZINC000012429743	519281775	/nfs/dbraw/zinc/28/17/75/519281775.db2.gz	OPJKMYLLTAROIK-FQEVSTJZSA-N	2	1	344.547	3.567	10	30		EHEEMP
Cc1ccc(N2CCC([NH2+][C@H](C)c3ccc(C#N)s3)CC2)[nH+]c1	ZINC000135007370	1018251513	/nfs/dbraw/zinc/25/15/13/1018251513.db2.gz	KLCMMHIRWLLHKS-CQSZACIVSA-N	2	1	326.469	3.643	10	30		EHEEMP
C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135696	1123167248	/nfs/dbraw/zinc/16/72/48/1123167248.db2.gz	NUTINYCAWIRQKV-NVXWUHKLSA-N	2	1	325.481	3.792	10	30		EHEEMP
C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135682	1123167467	/nfs/dbraw/zinc/16/74/67/1123167467.db2.gz	NUTINYCAWIRQKV-WBVHZDCISA-N	2	1	325.481	3.792	10	30		EHEEMP
C=CCn1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1	ZINC000012429742	211377293	/nfs/dbraw/zinc/37/72/93/211377293.db2.gz	OPJKMYLLTAROIK-HXUWFJFHSA-N	2	1	344.547	3.567	10	30		EHEEMP
C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135671	1123167386	/nfs/dbraw/zinc/16/73/86/1123167386.db2.gz	NUTINYCAWIRQKV-RDJZCZTQSA-N	2	1	325.481	3.792	10	30		EHEEMP