smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=C\c1ccccc1)/C=C1/SC(=S)N([N-]C(=O)c2ccc(Cl)cc2Cl)C1=O	ZINC000026779822	568916739	/nfs/dbraw/zinc/91/67/39/568916739.db2.gz	NBXBQJVEQUIJJQ-GRALHKOYSA-N	-1	1	449.384	5.486	10	10		IKCEMM
Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2[O-])cc1	ZINC000248087850	569270403	/nfs/dbraw/zinc/27/04/03/569270403.db2.gz	LJDLCILDIXQLIR-REWPJTCUSA-N	-1	1	425.315	6.250	10	10		IKCEMM
Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)ccc2[O-])cc1	ZINC000072332582	556750621	/nfs/dbraw/zinc/75/06/21/556750621.db2.gz	LJDLCILDIXQLIR-NFBKMPQASA-N	-1	1	425.315	6.250	10	10		IKCEMM
Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(Cl)ccc2[O-])cc1	ZINC000072332581	556750730	/nfs/dbraw/zinc/75/07/30/556750730.db2.gz	LJDLCILDIXQLIR-NZQKXSOJSA-N	-1	1	425.315	6.250	10	10		IKCEMM
CCCCCCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN(C)C)c1[O-]	ZINC000048554212	569258445	/nfs/dbraw/zinc/25/84/45/569258445.db2.gz	AWKNDBCXZMQKHH-UHFFFAOYSA-N	-1	1	436.577	5.960	10	10		IKCEMM
O=C1NC(=S)N(c2ccc(Cl)cc2)C(=O)C1=Cc1cc(Cl)cc(Cl)c1[O-]	ZINC000020458017	526945017	/nfs/dbraw/zinc/94/50/17/526945017.db2.gz	DVPOZLGNMSDJRM-SDQBBNPISA-N	-1	1	427.696	5.024	10	10		IKCEMM
Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(Cl)ccc2[O-])cc1	ZINC000248087843	569270424	/nfs/dbraw/zinc/27/04/24/569270424.db2.gz	LJDLCILDIXQLIR-OFNKIYASSA-N	-1	1	425.315	6.250	10	10		IKCEMM