smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCc1c(O)c2cccnc2n(-c2ccccc2)c1=O	ZINC000100817810	222254158	/nfs/dbraw/zinc/25/41/58/222254158.db2.gz	OQRYKTPUVCPYSU-UHFFFAOYSA-N	0	2	350.462	4.994	1	30		FJEFLN
C=C1CCC[C@@H]2[C@](C)(C=C3C(=O)C(=O)CC(OC)C3=O)[C@@H](C)CC[C@]12C	ZINC000043562125	205103459	/nfs/dbraw/zinc/10/34/59/205103459.db2.gz	JJWITJNSXCXULM-XLIQEIGGSA-N	0	2	358.478	4.670	1	30		FJEFLN
COC1CC(=O)C(=O)C(=C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]23)C1=O	ZINC000049881748	221029216	/nfs/dbraw/zinc/02/92/16/221029216.db2.gz	LKNAVZKSKJJHQH-YVUMSICPSA-N	0	2	358.478	4.670	1	30		FJEFLN
N#C[C@@H](C(=O)c1ccccc1F)c1nc2cc(C(F)(F)F)ccc2s1	ZINC000006567845	204254203	/nfs/dbraw/zinc/25/42/03/204254203.db2.gz	DTKHNGDZAJKRLV-NSHDSACASA-N	0	2	364.323	4.944	1	30		FJEFLN
COC1CC(=O)C(=O)C(=C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O	ZINC000014140650	581099700	/nfs/dbraw/zinc/09/97/00/581099700.db2.gz	PYUXUMSQSVWNDS-NSAJDELNSA-N	0	2	358.478	4.670	1	30	in-vivo	FJEFLN
O=S(=O)(c1ccc(Sc2ccccc2)cc1)[C@@H]1CCC[C@@H](S)C1	ZINC000029468242	581099771	/nfs/dbraw/zinc/09/97/71/581099771.db2.gz	XUDODBAIOYVRJQ-RDTXWAMCSA-N	0	2	364.557	4.853	1	30		FJEFLN
O=S(=O)(c1ccc(Sc2ccccc2)cc1)[C@@H]1CCC[C@H](S)C1	ZINC000029468245	581099784	/nfs/dbraw/zinc/09/97/84/581099784.db2.gz	XUDODBAIOYVRJQ-KBXCAEBGSA-N	0	2	364.557	4.853	1	30		FJEFLN
CC(=O)C1C(=O)[C@H](CC(C)C)N(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000101448948	209226166	/nfs/dbraw/zinc/22/61/66/209226166.db2.gz	AFBYHWAGYWGJQE-CVVHJZTLSA-N	0	2	363.457	4.512	1	30		FJEFLN
N#Cc1ccc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1	ZINC000095588725	209083707	/nfs/dbraw/zinc/08/37/07/209083707.db2.gz	LNDZSWKYVTVGBW-UHFFFAOYSA-N	0	2	374.240	4.554	1	30		FJEFLN
O=S(=O)(c1ccc(Sc2ccccc2)cc1)[C@H]1CCC[C@@H](S)C1	ZINC000029468248	581099722	/nfs/dbraw/zinc/09/97/22/581099722.db2.gz	XUDODBAIOYVRJQ-KDOFPFPSSA-N	0	2	364.557	4.853	1	30		FJEFLN
O=S(=O)(c1ccc(Sc2ccccc2)cc1)[C@H]1CCC[C@H](S)C1	ZINC000029468250	581099829	/nfs/dbraw/zinc/09/98/29/581099829.db2.gz	XUDODBAIOYVRJQ-KSSFIOAISA-N	0	2	364.557	4.853	1	30		FJEFLN
CC(=O)Nc1cccc(-c2ccc(C[C@]3(C)SC(O)=C(C)C3=O)cc2)c1	ZINC000100895392	222256536	/nfs/dbraw/zinc/25/65/36/222256536.db2.gz	YZYPRAYYCVMCBO-NRFANRHFSA-N	0	2	367.470	4.719	1	30		FJEFLN
COc1cc2oc(C(C)C)cc2c(O)c1C(=O)/C=C/c1ccc(O)cc1	ZINC000095099542	291084970	/nfs/dbraw/zinc/08/49/70/291084970.db2.gz	JEXMYSPMNJHGFC-RMKNXTFCSA-N	0	2	352.386	4.872	1	30	biogenic,in-vitro	FJEFLN
COC1CC(=O)C(=O)C(=C[C@]2(C)[C@H](C)CC[C@]34C[C@@]3(C)CCC[C@H]42)C1=O	ZINC000096922380	209161319	/nfs/dbraw/zinc/16/13/19/209161319.db2.gz	YXTOOFYXMDFTGM-LQBNPYSMSA-N	0	2	358.478	4.503	1	30		FJEFLN
Cc1ccc(O)c(/N=C\c2cc(Cc3ccccc3)cc([N+](=O)[O-])c2O)c1	ZINC000013125980	525333489	/nfs/dbraw/zinc/33/34/89/525333489.db2.gz	JVGYVWIHLXCCDF-XKZIYDEJSA-N	0	2	362.385	4.656	1	30		FJEFLN