smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O)=Cc1ccccc1	ZINC000033493148	570526522	/nfs/dbraw/zinc/52/65/22/570526522.db2.gz	IETVIDHQTGNLKO-VQHBBHOASA-N	0	2	382.401	0.940	40	10		GCCBLN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(=O)cc(O)[nH]c1=S	ZINC000104305309	570301210	/nfs/dbraw/zinc/30/12/10/570301210.db2.gz	UPIXJIBLNSDXMQ-PKNBQFBNSA-N	0	2	386.389	0.470	40	10		GCCBLN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(O)cc(=O)[nH]c1=S	ZINC000104305309	570301214	/nfs/dbraw/zinc/30/12/14/570301214.db2.gz	UPIXJIBLNSDXMQ-PKNBQFBNSA-N	0	2	386.389	0.470	40	10		GCCBLN
O=C1/C(=C/c2ccc(O)cc2)SC(=S)N1C=C1C(=O)NC(=O)NC1=O	ZINC000001637591	530115203	/nfs/dbraw/zinc/11/52/03/530115203.db2.gz	ROSDZFDGNGNCGS-YHYXMXQVSA-N	0	2	375.387	0.843	40	10		GCCBLN
CC(C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O)=Cc1ccccc1	ZINC000005854941	204154307	/nfs/dbraw/zinc/15/43/07/204154307.db2.gz	IETVIDHQTGNLKO-OOHIBURESA-N	0	2	382.401	0.940	40	10		GCCBLN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(=O)cc(O)[nH]c1=S	ZINC000016958476	570935621	/nfs/dbraw/zinc/93/56/21/570935621.db2.gz	UPIXJIBLNSDXMQ-LUAWRHEFSA-N	0	2	386.389	0.470	40	10		GCCBLN
CCOC(=O)C1=NN(c2ccccc2)C(=O)C1=Cn1c(O)cc(=O)[nH]c1=S	ZINC000016958476	570935625	/nfs/dbraw/zinc/93/56/25/570935625.db2.gz	UPIXJIBLNSDXMQ-LUAWRHEFSA-N	0	2	386.389	0.470	40	10		GCCBLN
Nc1[nH]c(=O)[nH]c(=O)c1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1	ZINC000018068967	207092777	/nfs/dbraw/zinc/09/27/77/207092777.db2.gz	OKFQVJIRGSPFQA-QZQOTICOSA-N	0	2	388.369	0.652	40	10		GCCBLN
CN(C)c1ccc(/C=c2/[nH]c(=O)/c(=C/c3ccc(N(C)C)cc3)[nH]c2=O)cc1	ZINC000001602317	570585122	/nfs/dbraw/zinc/58/51/22/570585122.db2.gz	YBDCSKNFSXQMSN-LRVMPXQBSA-N	0	2	376.460	0.853	40	10		GCCBLN
NC(=O)COc1ccc(/C=C2\C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)cc1	ZINC000409225680	534334748	/nfs/dbraw/zinc/33/47/48/534334748.db2.gz	NOGYULQMDZUZAH-OQLLNIDSSA-N	0	2	381.344	0.923	40	10		GCCBLN
CC(C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O)=Cc1ccccc1	ZINC000005502710	570443591	/nfs/dbraw/zinc/44/35/91/570443591.db2.gz	IETVIDHQTGNLKO-DOLWDEDMSA-N	0	2	382.401	0.940	40	10		GCCBLN
O=C1/C(=C\c2ccc(O)cc2)SC(=S)N1C=C1C(=O)NC(=O)NC1=O	ZINC000017223589	207088505	/nfs/dbraw/zinc/08/85/05/207088505.db2.gz	ROSDZFDGNGNCGS-BJMVGYQFSA-N	0	2	375.387	0.843	40	10		GCCBLN
NC(=O)COc1cccc(/C=C2/C(=O)NC(=O)N(c3ccc(O)cc3)C2=O)c1	ZINC000409218887	534340714	/nfs/dbraw/zinc/34/07/14/534340714.db2.gz	IIAOBDDDTXKRDE-DHDCSXOGSA-N	0	2	381.344	0.923	40	10		GCCBLN
CC(C=C1C(=O)NC(=S)N1C=C1C(=O)NC(=O)NC1=O)=Cc1ccccc1	ZINC000017223221	207088411	/nfs/dbraw/zinc/08/84/11/207088411.db2.gz	IETVIDHQTGNLKO-SAJCGKLUSA-N	0	2	382.401	0.940	40	10		GCCBLN