smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1cc2cc3c(cc2nc1NCCCNC(=S)NCCC[NH+]1CCOCC1)OCO3	ZINC000020151323	555668225	/nfs/dbraw/zinc/66/82/25/555668225.db2.gz	MFTGPJFEJYRETK-UHFFFAOYSA-N	1	1	456.572	1.824	40	30		JDEBMO
CC[NH+]1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3ccccc3)c(=O)n2-c2ccc(F)cc2)CC1	ZINC000032666010	556466648	/nfs/dbraw/zinc/46/66/48/556466648.db2.gz	MTNVZUNQGOHGQO-RKXACLNXSA-N	1	1	462.550	1.705	40	30		JDEBMO
N#Cc1cc2cc3c(cc2nc1N1CCCN(C(=S)NCCC[NH+]2CCOCC2)CC1)OCO3	ZINC000035311304	569680151	/nfs/dbraw/zinc/68/01/51/569680151.db2.gz	TXLXCWXKQYADIG-UHFFFAOYSA-N	1	1	482.610	1.944	40	30		JDEBMO
CC[NH+]1CCN(C(=O)/C(C#N)=c2\s/c(=C/c3ccccc3)c(=O)n2-c2ccc(F)cc2)CC1	ZINC000097993606	569748777	/nfs/dbraw/zinc/74/87/77/569748777.db2.gz	MTNVZUNQGOHGQO-XONZCVNRSA-N	1	1	462.550	1.705	40	30		JDEBMO
C#CCNC(=O)CC[C@H]1CNC(=O)[C@@H]2[C@@H](CCN2Cc2cccc(OC(F)(F)F)c2)[N@@H+]1C	ZINC000022923441	555976163	/nfs/dbraw/zinc/97/61/63/555976163.db2.gz	BFNJXLDPBDNQGP-HQRMLTQVSA-N	1	1	452.477	1.488	40	30	biogenic,in-vitro	JDEBMO
CC[NH+]1CCN(C(=O)/C(C#N)=c2\s/c(=C/c3ccc(F)cc3)c(=O)n2-c2ccc(F)cc2)CC1	ZINC000097993597	569748819	/nfs/dbraw/zinc/74/88/19/569748819.db2.gz	SDCJJYRZNYLPDS-HQTVGPENSA-N	1	1	480.540	1.844	40	30		JDEBMO
CC[NH+]1CCN(C(=O)/C(C#N)=c2\s/c(=C\c3ccc(F)cc3)c(=O)n2-c2ccc(F)cc2)CC1	ZINC000032666007	556466750	/nfs/dbraw/zinc/46/67/50/556466750.db2.gz	SDCJJYRZNYLPDS-DZLBOJMASA-N	1	1	480.540	1.844	40	30		JDEBMO