smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)[C@@H]1CCCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21	ZINC000072107649	212057958	/nfs/dbraw/zinc/05/79/58/212057958.db2.gz	SWCDFJVHIVCGDZ-HXUWFJFHSA-N	1	3	394.971	5.352	1	30		GKEFHO
CC(C)[N@H+]1CCc2ccc(C#Cc3ccc4c(Cl)c(CN)sc4c3)cc2C1	ZINC000072109296	212056476	/nfs/dbraw/zinc/05/64/76/212056476.db2.gz	UVIFBPNHMHJDLC-UHFFFAOYSA-N	1	3	394.971	5.180	1	30		GKEFHO
CC(C)[N@@H+]1CCc2ccc(C#Cc3ccc4c(Cl)c(CN)sc4c3)cc2C1	ZINC000072109296	212056472	/nfs/dbraw/zinc/05/64/72/212056472.db2.gz	UVIFBPNHMHJDLC-UHFFFAOYSA-N	1	3	394.971	5.180	1	30		GKEFHO
c1ccc(/[NH+]=C(/N(CCN2CCCCC2)c2ccccc2)N2CCCCC2)cc1	ZINC000017255434	207087872	/nfs/dbraw/zinc/08/78/72/207087872.db2.gz	QROILWHRZVWZOH-OCEACIFDSA-N	1	3	390.575	5.153	1	30		GKEFHO
C[NH+](C)[C@H]1CCCc2c(C#Cc3ccc4c(Cl)c(CN)sc4c3)cccc21	ZINC000072107650	206208242	/nfs/dbraw/zinc/20/82/42/206208242.db2.gz	SWCDFJVHIVCGDZ-FQEVSTJZSA-N	1	3	394.971	5.352	1	30		GKEFHO
CCCCCCC[NH+]1CCC(CCNc2ccnc3ccc(OC)cc32)CC1	ZINC000049917859	205129534	/nfs/dbraw/zinc/12/95/34/205129534.db2.gz	FYIWSGCOIANIPZ-UHFFFAOYSA-N	1	3	383.580	5.728	1	30		GKEFHO