smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N=C1/C(=C/c2ccc([O-])cc2)C(=O)N=C2SC=C(c3ccccc3Cl)N21	ZINC000041083626	206195028	/nfs/dbraw/zinc/19/50/28/206195028.db2.gz	KUYYWROJJYRWPA-PBGDOYKQSA-N	-1	3	381.844	4.350	10	10		GICEHM
C[C@H]1CN(Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2[O-])C[C@H](C)O1	ZINC000094993368	208151280	/nfs/dbraw/zinc/15/12/80/208151280.db2.gz	VNEASBADCUCSPH-KBPBESRZSA-N	-1	3	386.879	4.387	10	10		GICEHM
CN(C)Cc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1[O-]	ZINC000005912733	570461511	/nfs/dbraw/zinc/46/15/11/570461511.db2.gz	UFBIHGBJNZAUDJ-UHFFFAOYSA-N	-1	3	379.334	4.371	10	10		GICEHM
C[C@@H]1CN(Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2[O-])C[C@@H](C)O1	ZINC000094993369	208150696	/nfs/dbraw/zinc/15/06/96/208150696.db2.gz	VNEASBADCUCSPH-ZIAGYGMSSA-N	-1	3	386.879	4.387	10	10		GICEHM
COC(=O)c1cccc(N[C@@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1	ZINC000027644782	570542583	/nfs/dbraw/zinc/54/25/83/570542583.db2.gz	TYOWEIPLPUPQIN-FQEVSTJZSA-N	-1	3	385.423	4.324	10	10		GICEHM
C[C@@H]1CN(Cc2c3onc(Cc4ccc(Cl)cc4)c3ccc2[O-])C[C@H](C)O1	ZINC000094993367	211216924	/nfs/dbraw/zinc/21/69/24/211216924.db2.gz	VNEASBADCUCSPH-OKILXGFUSA-N	-1	3	386.879	4.387	10	10		GICEHM
COC(=O)c1ccccc1N[C@H](c1ccccn1)c1ccc2cccnc2c1[O-]	ZINC000002041795	209230104	/nfs/dbraw/zinc/23/01/04/209230104.db2.gz	IQOLIHFRRWCPED-NRFANRHFSA-N	-1	3	385.423	4.324	10	10		GICEHM
COc1cc(/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc(Cl)c1[O-]	ZINC000001071249	212214345	/nfs/dbraw/zinc/21/43/45/212214345.db2.gz	WRHBZNKYFURQEE-NTUHNPAUSA-N	-1	3	381.862	4.049	10	10		GICEHM
CC(=O)Nc1ccc(N=Cc2c(=O)n(-c3ccccc3)[n-]c2-c2ccccc2)cc1	ZINC000005197146	212145732	/nfs/dbraw/zinc/14/57/32/212145732.db2.gz	IMANUGYLVPZIIU-JWGURIENSA-N	-1	3	396.450	4.392	10	10		GICEHM
COC(=O)c1cccc(N[C@H](c2ccncc2)c2ccc3cccnc3c2[O-])c1	ZINC000027644791	570542683	/nfs/dbraw/zinc/54/26/83/570542683.db2.gz	TYOWEIPLPUPQIN-HXUWFJFHSA-N	-1	3	385.423	4.324	10	10		GICEHM