smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)Cc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1[O-]	ZINC000095115680	494960389	/nfs/dbraw/zinc/96/03/89/494960389.db2.gz	LCFSGPWTOATKSF-CPNJWEJPSA-N	-2	3	365.389	3.044	50	10		FGCAHL
O=C([O-])[C@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1[O-]	ZINC000023187619	494555618	/nfs/dbraw/zinc/55/56/18/494555618.db2.gz	TWADQDKHELMUTE-CJNGLKHVSA-N	-2	3	365.838	3.452	50	10		FGCAHL
COc1cc(/C=C2/C(=O)[N-]N(c3ccc(C)c(C)c3)C2=O)cc(Cl)c1[O-]	ZINC000013838360	494296655	/nfs/dbraw/zinc/29/66/55/494296655.db2.gz	KKPKOBUNWLBBQM-AUWJEWJLSA-N	-2	3	372.808	3.132	50	10		FGCAHL
O=C([O-])c1ccc(-n2cccc2C=C2[N-]C(=O)N(c3ccccc3)C2=O)cc1	ZINC000009014139	207255473	/nfs/dbraw/zinc/25/54/73/207255473.db2.gz	SSHMKHPXXGTLGA-QGOAFFKASA-N	-2	3	373.368	3.477	50	10		FGCAHL
CC(=O)Nc1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)ccc1[O-]	ZINC000012536036	207387916	/nfs/dbraw/zinc/38/79/16/207387916.db2.gz	UWXQEKUIZFUUMT-UHFFFAOYSA-N	-2	3	374.340	3.170	50	10		FGCAHL
O=C1[N-]C(=S)S/C1=C/c1cc(Br)cc(Cl)c1[O-]	ZINC000003027605	493829274	/nfs/dbraw/zinc/82/92/74/493829274.db2.gz	UCJRZERBHWQWEO-FARCUNLSSA-N	-2	3	350.646	3.297	50	10		FGCAHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1OC	ZINC000005027926	493908969	/nfs/dbraw/zinc/90/89/69/493908969.db2.gz	AHOWTDFWFOZNPR-UHFFFAOYSA-N	-2	3	359.403	3.363	50	10		FGCAHL
Cc1ccc(N2C(=O)[N-]C(=O)C(=Cc3cc(Cl)ccc3[O-])C2=O)cc1	ZINC000006212425	493955334	/nfs/dbraw/zinc/95/53/34/493955334.db2.gz	NIDVNKUYNQFOFK-NTEUORMPSA-N	-2	3	356.765	3.020	50	10		FGCAHL
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1	ZINC000000969636	219347714	/nfs/dbraw/zinc/34/77/14/219347714.db2.gz	DLQYYSMVHZCLEY-UHFFFAOYSA-N	-2	3	356.403	3.305	50	10		FGCAHL
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000038186490	494111324	/nfs/dbraw/zinc/11/13/24/494111324.db2.gz	KWJLUDJDVNVVFR-LICLKQGHSA-N	-2	3	365.389	3.426	50	10		FGCAHL
O=C1c2ccccc2N=C([O-])C1=NNc1cc(S(=O)(=O)[O-])ccc1[O-]	ZINC000006424123	493963246	/nfs/dbraw/zinc/96/32/46/493963246.db2.gz	XZXNMELNXSTYBI-ISLYRVAYSA-N	-3	3	361.335	3.014	50	10		FGCAHL
O=C1[N-]C(=S)S/C1=C/c1cc(Cl)cc(Br)c1[O-]	ZINC000003027610	204074569	/nfs/dbraw/zinc/07/45/69/204074569.db2.gz	PCXDHHTZCKUWJH-FARCUNLSSA-N	-2	3	350.646	3.297	50	10		FGCAHL
O=S(=O)([N-]c1ccc([O-])cc1F)c1ccc(Br)s1	ZINC000006505545	204251224	/nfs/dbraw/zinc/25/12/24/204251224.db2.gz	KZWPWMHWLFSFQM-UHFFFAOYSA-N	-2	3	352.206	3.156	50	10		FGCAHL
Cc1cc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c(Cl)c1[O-]	ZINC000004284239	207010519	/nfs/dbraw/zinc/01/05/19/207010519.db2.gz	AKRTZIYBDBSHRX-UHFFFAOYSA-N	-2	3	356.787	3.371	50	10		FGCAHL
CCOc1ccc(S(=O)(=O)[N-]c2ccc([O-])c(Br)c2)cc1	ZINC000002497144	493810216	/nfs/dbraw/zinc/81/02/16/493810216.db2.gz	IACZNPMHGNCRAQ-UHFFFAOYSA-N	-2	3	372.240	3.354	50	10		FGCAHL
COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)c1	ZINC000001050101	210073528	/nfs/dbraw/zinc/07/35/28/210073528.db2.gz	RZKVSQRQJQUEKE-UHFFFAOYSA-N	-2	3	359.403	3.363	50	10	aggregator	FGCAHL
O=C([O-])[C@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1[O-]	ZINC000023187622	211380207	/nfs/dbraw/zinc/38/02/07/211380207.db2.gz	TWADQDKHELMUTE-CZUORRHYSA-N	-2	3	365.838	3.452	50	10		FGCAHL
O=C([O-])[C@@H]1CS[C@H](c2ccccc2O)N1Cc1cc(Cl)ccc1[O-]	ZINC000004681208	210552079	/nfs/dbraw/zinc/55/20/79/210552079.db2.gz	TWADQDKHELMUTE-XJKSGUPXSA-N	-2	3	365.838	3.452	50	10		FGCAHL
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc(Br)c1[O-]	ZINC000015018410	220141602	/nfs/dbraw/zinc/14/16/02/220141602.db2.gz	BGGOTMVGOYPFNW-UITAMQMPSA-N	-2	3	360.254	3.042	50	10		FGCAHL
O=C([O-])[C@@H]1CS[C@@H](c2ccccc2O)N1Cc1cc(Cl)ccc1[O-]	ZINC000004681209	263335637	/nfs/dbraw/zinc/33/56/37/263335637.db2.gz	TWADQDKHELMUTE-BBRMVZONSA-N	-2	3	365.838	3.452	50	10		FGCAHL
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000101148544	570817288	/nfs/dbraw/zinc/81/72/88/570817288.db2.gz	IIZFTERXRCGJKU-OQLLNIDSSA-N	-2	3	371.780	3.462	50	10		FGCAHL
Cc1ccc(N2C(=O)/C(=C/c3cc(Cl)ccc3[O-])C(=O)[N-]C2=S)cc1	ZINC000018194593	494428596	/nfs/dbraw/zinc/42/85/96/494428596.db2.gz	PAICIOSNMUOYEE-NTEUORMPSA-N	-2	3	372.833	3.185	50	10		FGCAHL
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000018996587	220232784	/nfs/dbraw/zinc/23/27/84/220232784.db2.gz	JBRLTLUCENDCHL-YBEGLDIGSA-N	-2	3	351.362	3.117	50	10		FGCAHL
COc1ccc(S(=O)(=O)[N-]c2ccc([O-])c3ccccc23)cc1[N+](=O)[O-]	ZINC000004980356	493905796	/nfs/dbraw/zinc/90/57/96/493905796.db2.gz	MKZYMSGLZYZTTC-UHFFFAOYSA-N	-2	3	374.374	3.263	50	10		FGCAHL
Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C=Nc1ccc(O)c(C(=O)[O-])c1	ZINC000005394294	493928571	/nfs/dbraw/zinc/92/85/71/493928571.db2.gz	BXSVUZVOBPZZGJ-YBEGLDIGSA-N	-2	3	365.389	3.426	50	10		FGCAHL