smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@H]2[C@@H]4CC[C@@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)no1	ZINC000012446715	525290730	/nfs/dbraw/zinc/29/07/30/525290730.db2.gz	BSSGAGJUKWPCTG-LIZPQBEBSA-N	-1	2	479.558	4.779	40	0		JJABLM
COc1cc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000002750999	554326106	/nfs/dbraw/zinc/32/61/06/554326106.db2.gz	SSSOQEUVHUJZEC-XMMPIXPASA-N	-1	2	455.470	4.547	40	0		JJABLM
CCOc1cc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000035147351	569675944	/nfs/dbraw/zinc/67/59/44/569675944.db2.gz	ICVCFBNNRGSZFA-RUZDIDTESA-N	-1	2	469.497	4.937	40	0		JJABLM
COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000035147346	569675928	/nfs/dbraw/zinc/67/59/28/569675928.db2.gz	IZYIHFPSCHKROU-VWLOTQADSA-N	-1	2	469.497	4.850	40	0		JJABLM
COc1ccc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000035147316	569676033	/nfs/dbraw/zinc/67/60/33/569676033.db2.gz	BMJMDNOJBCGHHU-XMMPIXPASA-N	-1	2	455.470	4.542	40	0		JJABLM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3cc(Cl)cc(Cl)c3O)C(=O)[O-])n2)c1	ZINC000408634462	569985137	/nfs/dbraw/zinc/98/51/37/569985137.db2.gz	UXOZZRZADMVUQH-UUASQNMZSA-N	-1	2	468.318	4.719	40	0		JJABLM
Cc1ccccc1N1C(=O)NC(=O)C(=Cc2cn(Cc3ccc(C(=O)[O-])o3)c3ccccc23)C1=O	ZINC000033717200	569631742	/nfs/dbraw/zinc/63/17/42/569631742.db2.gz	GYGKTKUGFMJQRT-XDHOZWIPSA-N	-1	2	469.453	4.796	40	0		JJABLM
COc1ccc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000035147318	569675967	/nfs/dbraw/zinc/67/59/67/569675967.db2.gz	BMJMDNOJBCGHHU-DEOSSOPVSA-N	-1	2	455.470	4.542	40	0		JJABLM
Cc1[n-]n(-c2nc3ccccc3s2)c(=O)c1Cc1c(C)[nH]n(-c2nc3ccccc3s2)c1=O	ZINC000016249413	527571303	/nfs/dbraw/zinc/57/13/03/527571303.db2.gz	UQOXLSFNPZHUEO-UHFFFAOYSA-N	-1	2	474.571	4.896	40	0		JJABLM
COc1cc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000002750998	554326143	/nfs/dbraw/zinc/32/61/43/554326143.db2.gz	SSSOQEUVHUJZEC-DEOSSOPVSA-N	-1	2	455.470	4.547	40	0		JJABLM
CCOc1cc([C@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000009679102	555403654	/nfs/dbraw/zinc/40/36/54/555403654.db2.gz	TVOLFSJLDHOTOO-DEOSSOPVSA-N	-1	2	455.470	4.629	40	0		JJABLM
CCOc1cc([C@@H]2c3c([nH]nc3-c3ccccc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000009679101	555403843	/nfs/dbraw/zinc/40/38/43/555403843.db2.gz	TVOLFSJLDHOTOO-XMMPIXPASA-N	-1	2	455.470	4.629	40	0		JJABLM
COc1cc(C=C2C(=O)NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1	ZINC000033606610	569628689	/nfs/dbraw/zinc/62/86/89/569628689.db2.gz	RMDUIHQRSPNHNK-RQZCQDPDSA-N	-1	2	496.859	4.726	40	0		JJABLM
CCOc1cc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)ccc1O	ZINC000035147353	569676024	/nfs/dbraw/zinc/67/60/24/569676024.db2.gz	ICVCFBNNRGSZFA-VWLOTQADSA-N	-1	2	469.497	4.937	40	0		JJABLM
COc1ccc([C@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000035147339	569675868	/nfs/dbraw/zinc/67/58/68/569675868.db2.gz	XBYUMBCOJSARAE-VWLOTQADSA-N	-1	2	469.497	4.850	40	0		JJABLM
Cc1cc(NS(=O)(=O)c2ccc3c(c2)[C@@H]2[C@@H]4CC[C@@H](C4)[C@@H]2[C@H](c2cccc(C(=O)[O-])c2)N3)no1	ZINC000012446713	525286600	/nfs/dbraw/zinc/28/66/00/525286600.db2.gz	BSSGAGJUKWPCTG-KKYWAYIRSA-N	-1	2	479.558	4.779	40	0		JJABLM
[O-]c1cc(O)ccc1-c1nc(-c2cccn2Cc2ccccc2)nc(-c2ccc(O)cc2O)n1	ZINC000044563625	526338537	/nfs/dbraw/zinc/33/85/37/526338537.db2.gz	HGTSKSHPDKEBSJ-UHFFFAOYSA-N	-1	2	452.470	4.545	40	0		JJABLM
O=C(Nc1ccc(Br)cc1)c1cc(Br)c([O-])c(Br)c1O	ZINC000001606590	194129296	/nfs/dbraw/zinc/12/92/96/194129296.db2.gz	MCMZGFUZQJZCHD-UHFFFAOYSA-N	-1	2	465.923	4.638	40	0		JJABLM
O=C(Nc1ccc(Br)cc1)c1cc(Br)c(O)c(Br)c1[O-]	ZINC000001606590	194129299	/nfs/dbraw/zinc/12/92/99/194129299.db2.gz	MCMZGFUZQJZCHD-UHFFFAOYSA-N	-1	2	465.923	4.638	40	0		JJABLM
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)cc1OC	ZINC000035147344	569675914	/nfs/dbraw/zinc/67/59/14/569675914.db2.gz	IZYIHFPSCHKROU-RUZDIDTESA-N	-1	2	469.497	4.850	40	0		JJABLM
COc1ccc([C@@H]2c3c([nH]nc3-c3ccc(C)cc3)C(=O)N2c2ccc(C(=O)[O-])cc2)c(OC)c1	ZINC000035147338	569676062	/nfs/dbraw/zinc/67/60/62/569676062.db2.gz	XBYUMBCOJSARAE-RUZDIDTESA-N	-1	2	469.497	4.850	40	0		JJABLM