smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(C)Cc1c(C)c(Cl)cc(Cl)c1O	ZINC000001657227	355910223	/nfs/dbraw/zinc/91/02/23/355910223.db2.gz	PBLAQVIZITYDSY-UHFFFAOYSA-N	0	1	231.122	4.126	40	30		BIEBMN
Cc1ccc(/N=C/c2ccc(O)c(Cl)c2)cc1	ZINC000008371863	368315403	/nfs/dbraw/zinc/31/54/03/368315403.db2.gz	HAFWOPHZJGIWTC-CXUHLZMHSA-N	0	1	245.709	4.105	40	30		BIEBMN
Cc1ccccc1/N=C/c1ccc(O)c(Cl)c1	ZINC000008570869	368317675	/nfs/dbraw/zinc/31/76/75/368317675.db2.gz	CZQIKHJFQXWHDV-CXUHLZMHSA-N	0	1	245.709	4.105	40	30		BIEBMN
CC(/C=C\c1ccccc1)=N\c1ccccc1	ZINC000016979041	187588237	/nfs/dbraw/zinc/58/82/37/187588237.db2.gz	SWZIFMPZYZSWMD-XGTYQIHLSA-N	0	1	221.303	4.492	40	30		BIEBMN
CC(/C=C/c1ccccc1)=N\c1ccccc1	ZINC000016979047	188281255	/nfs/dbraw/zinc/28/12/55/188281255.db2.gz	SWZIFMPZYZSWMD-MIFVOYFBSA-N	0	1	221.303	4.492	40	30		BIEBMN
CC(/C=C/c1ccccc1)=N/c1ccccc1	ZINC000104138577	187292155	/nfs/dbraw/zinc/29/21/55/187292155.db2.gz	SWZIFMPZYZSWMD-SQCSQLHISA-N	0	1	221.303	4.492	40	30		BIEBMN
C/C(=C/C=N/C(C)(C)C)C[Si](C)(C)C	ZINC000195751512	368413834	/nfs/dbraw/zinc/41/38/34/368413834.db2.gz	BOLUBIYKJJKYQE-ZXXZFBTCSA-N	0	1	211.425	4.140	40	30		BIEBMN
C/C(=C/C=N\C(C)(C)C)C[Si](C)(C)C	ZINC000299888252	352549628	/nfs/dbraw/zinc/54/96/28/352549628.db2.gz	BOLUBIYKJJKYQE-PHRMNRNWSA-N	0	1	211.425	4.140	40	30		BIEBMN