smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000101125050	564019229	/nfs/dbraw/zinc/01/92/29/564019229.db2.gz	WRDIPJAUOPNSQT-NTEUORMPSA-N	-2	1	345.761	3.903	50	10		EHCAML
O=C([O-])c1cc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)ccc1Cl	ZINC000003205848	564058419	/nfs/dbraw/zinc/05/84/19/564058419.db2.gz	FULWCUIFMVEEMF-WUXMJOGZSA-N	-2	1	349.751	3.622	50	10		EHCAML
Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000017130547	564116519	/nfs/dbraw/zinc/11/65/19/564116519.db2.gz	WRDIPJAUOPNSQT-ZROIWOOFSA-N	-2	1	345.761	3.903	50	10		EHCAML
Cc1c(Cl)c([O-])c(Cl)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000000084073	563974834	/nfs/dbraw/zinc/97/48/34/563974834.db2.gz	CTEGHEYASQRVMN-UHFFFAOYSA-N	-2	1	332.208	3.808	50	10		EHCAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000100041150	219088886	/nfs/dbraw/zinc/08/88/86/219088886.db2.gz	SAJLYNWOIPSCCE-WOJGMQOQSA-N	-2	1	349.390	3.720	50	10		EHCAML
O=C1[N-]C(=S)S/C1=C\c1c(Cl)cc(Cl)c([O-])c1Cl	ZINC000015224350	563780409	/nfs/dbraw/zinc/78/04/09/563780409.db2.gz	OYOHBBCZTILPIW-BHQIHCQQSA-N	-2	1	340.640	3.841	50	10		EHCAML
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(Cl)ccc1[O-]	ZINC000100148665	219092272	/nfs/dbraw/zinc/09/22/72/219092272.db2.gz	LADWRCUTFSJRTG-UVTDQMKNSA-N	-2	1	327.771	3.764	50	10		EHCAML
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1cccc(C(=O)[O-])c1	ZINC000012462211	211388487	/nfs/dbraw/zinc/38/84/87/211388487.db2.gz	SAJLYNWOIPSCCE-WQRHYEAKSA-N	-2	1	349.390	3.720	50	10		EHCAML