smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@@H]45)[C@H]32)cc1	ZINC000217626800	569880694	/nfs/dbraw/zinc/88/06/94/569880694.db2.gz	WRVGMBLWXWIJJY-WSRGUFLPSA-N	0	0	492.597	4.562	40	70		JJIBRN
O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000217632460	569880751	/nfs/dbraw/zinc/88/07/51/569880751.db2.gz	YROXJZNASOVXND-NXZWVFBWSA-N	0	0	495.025	4.768	40	70		JJIBRN
O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@@H]1[C@H](S2)[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000217632375	569880728	/nfs/dbraw/zinc/88/07/28/569880728.db2.gz	YROXJZNASOVXND-AIFSHUDHSA-N	0	0	495.025	4.768	40	70		JJIBRN
O=c1[nH]c2c(s1)[C@H](c1ccc(Cl)cc1)[C@H]1[C@H](S2)[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000217632558	569880764	/nfs/dbraw/zinc/88/07/64/569880764.db2.gz	YROXJZNASOVXND-ABHMGBDOSA-N	0	0	495.025	4.768	40	70		JJIBRN
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@H]([C@@H]32)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]42)cc1	ZINC000217796720	569881642	/nfs/dbraw/zinc/88/16/42/569881642.db2.gz	FGNDIEBTCXFVEE-RAKJYYOCSA-N	0	0	488.634	4.731	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1Cl	ZINC000216649004	569879254	/nfs/dbraw/zinc/87/92/54/569879254.db2.gz	ATJVOVJXVTZVGI-QGZVFWFLSA-N	0	0	461.971	4.665	40	70		JJIBRN
O=c1[nH]c2c(s1)[C@@H](c1ccc(Cl)cc1)[C@H]1[C@H](S2)[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]21	ZINC000217632651	569880737	/nfs/dbraw/zinc/88/07/37/569880737.db2.gz	YROXJZNASOVXND-KSLKBLKXSA-N	0	0	495.025	4.768	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccccc4C)o3)C2)cc1Cl	ZINC000216646813	569879189	/nfs/dbraw/zinc/87/91/89/569879189.db2.gz	JWSCNKMQQQJIDD-INIZCTEOSA-N	0	0	461.971	4.665	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@H](c3nnc(-c4ccc(C)cc4)o3)C2)cc1Cl	ZINC000216649054	569879224	/nfs/dbraw/zinc/87/92/24/569879224.db2.gz	ATJVOVJXVTZVGI-KRWDZBQOSA-N	0	0	461.971	4.665	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nnc(-c4ccccc4C)o3)C2)cc1Cl	ZINC000216646766	569879192	/nfs/dbraw/zinc/87/91/92/569879192.db2.gz	JWSCNKMQQQJIDD-MRXNPFEDSA-N	0	0	461.971	4.665	40	70		JJIBRN
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@@H]45)[C@@H]32)cc1	ZINC000217626725	569880665	/nfs/dbraw/zinc/88/06/65/569880665.db2.gz	WRVGMBLWXWIJJY-FVVROYIQSA-N	0	0	492.597	4.562	40	70		JJIBRN
COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2ccc(Cl)cc2)CN1C	ZINC000217766008	569881465	/nfs/dbraw/zinc/88/14/65/569881465.db2.gz	UVEAYEIWIGNDLI-GQOCTPOGSA-N	0	0	452.963	4.786	40	70		JJIBRN
CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC[C@H]1CC[C@H](C(=O)NC2CCCCC2)CC1	ZINC000217590042	569880404	/nfs/dbraw/zinc/88/04/04/569880404.db2.gz	OMXHPWPKAQWWJZ-BKSPAHHJSA-N	0	0	497.680	4.720	40	70		JJIBRN
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]2[C@@H]2C[C@H]3[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]23)cc1	ZINC000217796798	569881563	/nfs/dbraw/zinc/88/15/63/569881563.db2.gz	FGNDIEBTCXFVEE-ZDQRBUBASA-N	0	0	488.634	4.731	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccc(C)cc4)o3)CC2)cc1Cl	ZINC000216632919	569879199	/nfs/dbraw/zinc/87/91/99/569879199.db2.gz	VBNKFJONWCSNQT-UHFFFAOYSA-N	0	0	461.971	4.665	40	70		JJIBRN
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N(c6ccc(F)cc6)C(=O)[C@@H]45)[C@H]32)cc1	ZINC000217626872	569880723	/nfs/dbraw/zinc/88/07/23/569880723.db2.gz	WRVGMBLWXWIJJY-TWKNJJFGSA-N	0	0	492.597	4.562	40	70		JJIBRN
COc1ccc(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1Br	ZINC000218014554	569882443	/nfs/dbraw/zinc/88/24/43/569882443.db2.gz	PYHAHWRODGUMJK-UHFFFAOYSA-N	0	0	455.555	4.674	40	70		JJIBRN
COc1cc2oc(=O)c3c(c2cc1OC(=O)[C@H]1CC[C@H](CNC(=O)OC(C)(C)C)CC1)CCCC3	ZINC000217552657	569880357	/nfs/dbraw/zinc/88/03/57/569880357.db2.gz	ITVKUFGXLGHWNQ-CALCHBBNSA-N	0	0	485.577	4.917	40	70		JJIBRN
CCn1c2ccccc2n2c(SCCSc3nnc4n(CC)c5ccccc5n34)nnc12	ZINC000218251452	569883158	/nfs/dbraw/zinc/88/31/58/569883158.db2.gz	XIGUSJXOCKKCGY-UHFFFAOYSA-N	0	0	462.608	4.606	40	70		JJIBRN
CCOc1ccc(S(=O)(=O)N2CCC(c3nnc(-c4ccccc4C)o3)CC2)cc1Cl	ZINC000216631627	569879201	/nfs/dbraw/zinc/87/92/01/569879201.db2.gz	GMVVMKOZRDHALD-UHFFFAOYSA-N	0	0	461.971	4.665	40	70		JJIBRN