smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[n+]1c(C=C2C=C[NH+](CC)C=C2)cc(C)c2ccccc21	ZINC000020807892	182248167	/nfs/dbraw/zinc/24/81/67/182248167.db2.gz	ARBOXIXIKWFHBV-UHFFFAOYSA-N	2	2	303.429	4.368	50	30		DIEALP
Oc1ccccc1/C=[NH+]/CCCCCC/[NH+]=C/c1ccccc1O	ZINC000018144169	526369818	/nfs/dbraw/zinc/36/98/18/526369818.db2.gz	DXVHKINVBJRBGQ-YHARCJFQSA-N	2	2	324.424	4.196	50	30		DIEALP
C=CC[n+]1c(C=C2C=C[NH+](CC)C=C2)ccc2cc(C)ccc21	ZINC000020070407	182185373	/nfs/dbraw/zinc/18/53/73/182185373.db2.gz	HCPYKODXVPZTLF-UHFFFAOYSA-N	2	2	303.429	4.368	50	30		DIEALP
CC[NH+]1CCN(c2ccc(/[NH+]=C/C=C/c3ccccc3)cc2)CC1	ZINC000003036785	563346473	/nfs/dbraw/zinc/34/64/73/563346473.db2.gz	HCOZPIICQLWJRV-HSRIELGNSA-N	2	2	319.452	4.244	50	30		DIEALP