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@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(OCC#N)cc1	ZINC000181626136	1032012306	/nfs/dbraw/zinc/01/23/06/1032012306.db2.gz	HOTRYEWVPUMPRX-KRWDZBQOSA-N	2	0	341.499	3.894	10	30		EHEERP
C[C@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135689	1123167441	/nfs/dbraw/zinc/16/74/41/1123167441.db2.gz	NUTINYCAWIRQKV-DOTOQJQBSA-N	2	0	325.481	3.792	10	30		EHEERP
CC1(C)CC(=NCCN=C2CC(C)(C)[NH2+]C(C)(C)C2)CC(C)(C)[NH2+]1	ZINC000032251987	564130135	/nfs/dbraw/zinc/13/01/35/564130135.db2.gz	SKNXYFRNEOZRIY-UHFFFAOYSA-N	2	0	334.552	3.750	10	30		EHEERP
C=CCC[C@@H](C[NH+]1CCCC1)Oc1ccc(C[NH+]2CCCCC2)cn1	ZINC000072479923	216260699	/nfs/dbraw/zinc/26/06/99/216260699.db2.gz	NLKKBAVDOMRBKK-FQEVSTJZSA-N	2	0	343.515	3.877	10	30		EHEERP
C[C@H]([NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C)c1ccc(C#N)cc1	ZINC000247252712	1019057508	/nfs/dbraw/zinc/05/75/08/1019057508.db2.gz	ZTLMUJVCGJMGMM-XGHQBKJUSA-N	2	0	334.467	3.514	10	30		EHEERP
C=CCn1cc(C[N@H+]2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1	ZINC000012429743	519281768	/nfs/dbraw/zinc/28/17/68/519281768.db2.gz	OPJKMYLLTAROIK-FQEVSTJZSA-N	2	0	344.547	3.567	10	30		EHEERP
C=CCC[C@H](C[NH+]1CCCC1)Oc1ccc(C[NH+]2CCCCC2)cn1	ZINC000072479924	216260347	/nfs/dbraw/zinc/26/03/47/216260347.db2.gz	NLKKBAVDOMRBKK-HXUWFJFHSA-N	2	0	343.515	3.877	10	30		EHEERP
C[C@@H]([NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135696	1123167245	/nfs/dbraw/zinc/16/72/45/1123167245.db2.gz	NUTINYCAWIRQKV-NVXWUHKLSA-N	2	0	325.481	3.792	10	30		EHEERP
C[C@@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135682	1123167464	/nfs/dbraw/zinc/16/74/64/1123167464.db2.gz	NUTINYCAWIRQKV-WBVHZDCISA-N	2	0	325.481	3.792	10	30		EHEERP
C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccc(OCC#N)cc1	ZINC000181626153	1032012852	/nfs/dbraw/zinc/01/28/52/1032012852.db2.gz	HOTRYEWVPUMPRX-QGZVFWFLSA-N	2	0	341.499	3.894	10	30		EHEERP
C=CCn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)c(C)n1	ZINC000012429742	211377290	/nfs/dbraw/zinc/37/72/90/211377290.db2.gz	OPJKMYLLTAROIK-HXUWFJFHSA-N	2	0	344.547	3.567	10	30		EHEERP
C[C@H]([NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccc(C#N)s1	ZINC000195135671	1123167383	/nfs/dbraw/zinc/16/73/83/1123167383.db2.gz	NUTINYCAWIRQKV-RDJZCZTQSA-N	2	0	325.481	3.792	10	30		EHEERP