smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1OCc1ccccn1	ZINC000020228408	521977412	/nfs/dbraw/zinc/97/74/12/521977412.db2.gz	WTFRPQCJLMLGGW-ZSOIEALJSA-N	-1	1	437.340	4.761	10	0		IJAEMM
CC(C)N(CCCCOCc1nn[n-]n1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1	ZINC000028871653	563067534	/nfs/dbraw/zinc/06/75/34/563067534.db2.gz	XZEVPWJVZOFDGQ-UHFFFAOYSA-N	-1	1	443.555	4.536	10	0		IJAEMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOc1ccccc1OC	ZINC000020175952	556995225	/nfs/dbraw/zinc/99/52/25/556995225.db2.gz	GTAKLDGBVBXXMN-UYRXBGFRSA-N	-1	1	431.535	4.881	10	0		IJAEMM
O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Cl)c(C(F)(F)F)c3)cc2N1	ZINC000008598188	562954178	/nfs/dbraw/zinc/95/41/78/562954178.db2.gz	TWQVLHYNRXFJLF-UHFFFAOYSA-N	-1	1	436.864	4.594	10	0		IJAEMM
Cc1ccc(Cl)cc1N1CCN(CCCNc2cc(C(=O)[O-])c3ccccc3n2)CC1	ZINC000021650898	524735552	/nfs/dbraw/zinc/73/55/52/524735552.db2.gz	AWAVCLVATOVRNH-UHFFFAOYSA-N	-1	1	438.959	4.519	10	0		IJAEMM
COc1ccc(S(=O)(=O)[N-]c2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)cc1	ZINC000066138514	563159535	/nfs/dbraw/zinc/15/95/35/563159535.db2.gz	MZNVLJPQBQLFSE-UHFFFAOYSA-N	-1	1	432.505	4.829	10	0		IJAEMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([C@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1	ZINC000035910279	525615533	/nfs/dbraw/zinc/61/55/33/525615533.db2.gz	DHHUKWLAACQGIK-JOCHJYFZSA-N	-1	1	442.537	4.714	10	0		IJAEMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([C@@H]3SCC(=O)N3c3ccc(F)cc3)c2)cc1	ZINC000035910280	525614836	/nfs/dbraw/zinc/61/48/36/525614836.db2.gz	DHHUKWLAACQGIK-QFIPXVFZSA-N	-1	1	442.537	4.714	10	0		IJAEMM
COc1cccc(S(=O)(=O)[N-]c2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)c1	ZINC000066138511	563159493	/nfs/dbraw/zinc/15/94/93/563159493.db2.gz	UVPRFISHLVCTFN-UHFFFAOYSA-N	-1	1	432.505	4.829	10	0		IJAEMM
O=C(Nc1ccccc1Sc1n[n-]c(Br)n1)c1ccc(C(F)(F)F)cc1	ZINC000033114950	556554250	/nfs/dbraw/zinc/55/42/50/556554250.db2.gz	RXSODDLSWMHEEJ-UHFFFAOYSA-N	-1	1	443.248	4.990	10	0		IJAEMM
COc1cc(C=C2SC(=S)[N-]C2=O)ccc1OCCOCCOc1cccc(C)c1	ZINC000020408385	557013998	/nfs/dbraw/zinc/01/39/98/557013998.db2.gz	ALSHWXPRWDAZEU-XSFVSMFZSA-N	-1	1	445.562	4.807	10	0		IJAEMM