smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nnsc1C[N@@H+](C)Cc1ccc([C@H](C)[NH+](C)C)cc1	ZINC000218717220	432660945	/nfs/dbraw/zinc/66/09/45/432660945.db2.gz	JBSOYYAZXCHXMA-ZDUSSCGKSA-N	2	2	304.463	3.101	50	70		DGIALP
Cc1nnsc1C[N@H+](C)Cc1ccc([C@H](C)[NH+](C)C)cc1	ZINC000218717220	432660950	/nfs/dbraw/zinc/66/09/50/432660950.db2.gz	JBSOYYAZXCHXMA-ZDUSSCGKSA-N	2	2	304.463	3.101	50	70		DGIALP
COc1cc(C[N@@H+]2CCCC[C@@H]2C[NH3+])ccc1OCC=C(C)C	ZINC000216963969	432652467	/nfs/dbraw/zinc/65/24/67/432652467.db2.gz	XZJOENMXFWXDLW-QGZVFWFLSA-N	2	2	318.461	3.353	50	70		DGIALP
COc1cc(C[N@H+]2CCCC[C@@H]2C[NH3+])ccc1OCC=C(C)C	ZINC000216963969	432652474	/nfs/dbraw/zinc/65/24/74/432652474.db2.gz	XZJOENMXFWXDLW-QGZVFWFLSA-N	2	2	318.461	3.353	50	70		DGIALP
COc1cc(C[N@@H+]2CCCC[C@H]2C[NH3+])ccc1OCC=C(C)C	ZINC000216964005	432653394	/nfs/dbraw/zinc/65/33/94/432653394.db2.gz	XZJOENMXFWXDLW-KRWDZBQOSA-N	2	2	318.461	3.353	50	70		DGIALP
COc1cc(C[N@H+]2CCCC[C@H]2C[NH3+])ccc1OCC=C(C)C	ZINC000216964005	432653396	/nfs/dbraw/zinc/65/33/96/432653396.db2.gz	XZJOENMXFWXDLW-KRWDZBQOSA-N	2	2	318.461	3.353	50	70		DGIALP
COc1ccc2[nH]cc(C3CC[NH+](CCn4cc[nH+]c4)CC3)c2c1	ZINC000159774623	197363485	/nfs/dbraw/zinc/36/34/85/197363485.db2.gz	MTDQLEDNLILNJU-UHFFFAOYSA-N	2	2	324.428	3.253	50	70		DGIALP
Cc1nnsc1C[N@@H+](C)Cc1ccc([C@@H](C)[NH+](C)C)cc1	ZINC000218717135	432660822	/nfs/dbraw/zinc/66/08/22/432660822.db2.gz	JBSOYYAZXCHXMA-CYBMUJFWSA-N	2	2	304.463	3.101	50	70		DGIALP
Cc1nnsc1C[N@H+](C)Cc1ccc([C@@H](C)[NH+](C)C)cc1	ZINC000218717135	432660825	/nfs/dbraw/zinc/66/08/25/432660825.db2.gz	JBSOYYAZXCHXMA-CYBMUJFWSA-N	2	2	304.463	3.101	50	70		DGIALP