smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cccc(/N=N/c2ccc(C(=O)[O-])cc2)c1	ZINC000040465081	174274575	/nfs/dbraw/zinc/27/45/75/174274575.db2.gz	PDUMZTSOKMOKFZ-WUKNDPDISA-N	-1	0	254.289	4.363	10	10		CICERM
Cc1ccc(C)n1-c1c(Cl)cc(Cl)cc1C(=O)[O-]	ZINC000005589183	170116776	/nfs/dbraw/zinc/11/67/76/170116776.db2.gz	BMMXWQKIZARCLX-UHFFFAOYSA-N	-1	0	284.142	4.099	10	10		CICERM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(C(C)(C)C)cc1	ZINC000021953287	171340627	/nfs/dbraw/zinc/34/06/27/171340627.db2.gz	SQSSNDLMMQDSMJ-IZZDOVSWSA-N	-1	0	297.398	4.489	10	10		CICERM
O=C([O-])c1cccc2c1N[C@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	ZINC000004030193	567855095	/nfs/dbraw/zinc/85/50/95/567855095.db2.gz	ZCWMDMKMAUZFMH-AYMQEEERSA-N	-1	0	295.382	4.195	10	10		CICERM
O=C([O-])c1cccc2c1N[C@@H]([C@H]1CC=CCC1)[C@H]1CC=C[C@H]21	ZINC000004030194	567854872	/nfs/dbraw/zinc/85/48/72/567854872.db2.gz	ZCWMDMKMAUZFMH-WSMBLCCSSA-N	-1	0	295.382	4.195	10	10		CICERM
O=C([O-])c1cccc2c1N[C@@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	ZINC000004030196	567854937	/nfs/dbraw/zinc/85/49/37/567854937.db2.gz	ZCWMDMKMAUZFMH-ZJOBFFGXSA-N	-1	0	295.382	4.195	10	10		CICERM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1cc(Cl)ccc1C	ZINC000021952229	171340122	/nfs/dbraw/zinc/34/01/22/171340122.db2.gz	YOLKLTYYDYBICG-FNORWQNLSA-N	-1	0	289.762	4.154	10	10		CICERM
O=C([O-])c1ccc([C@H]2Nc3ccccc3[C@H]3C=CC[C@H]32)cc1	ZINC000013389510	170547755	/nfs/dbraw/zinc/54/77/55/170547755.db2.gz	UOJZJSJJYHNEDI-QGPMSJSTSA-N	-1	0	291.350	4.211	10	10		CICERM
Cc1ccc(N)cc1/N=N/c1ccc(N(C)C(=O)[O-])cc1	ZINC000098090745	185686592	/nfs/dbraw/zinc/68/65/92/185686592.db2.gz	NYKXXHPQSZTZMK-ISLYRVAYSA-N	-1	0	284.319	4.107	10	10		CICERM
Cc1ccc([C@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)o1	ZINC000184881084	262032620	/nfs/dbraw/zinc/03/26/20/262032620.db2.gz	LOKDUIPJOJPYFO-MNOVXSKESA-N	-1	0	279.767	4.359	10	10		CICERM
[O-]c1c(Cl)cc(Cl)cc1CNc1cccc(O)c1	ZINC000020193781	171059523	/nfs/dbraw/zinc/05/95/23/171059523.db2.gz	ULLZAMTVOZULLR-UHFFFAOYSA-N	-1	0	284.142	4.017	10	10		CICERM
O=C([O-])c1ccc([C@H]2Nc3ccccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000059267075	175631165	/nfs/dbraw/zinc/63/11/65/175631165.db2.gz	UOJZJSJJYHNEDI-QILLFSRXSA-N	-1	0	291.350	4.211	10	10		CICERM
Cc1oc(C(=O)[O-])cc1COc1cc(C)c(Cl)c(C)c1	ZINC000011863262	170450004	/nfs/dbraw/zinc/45/00/04/170450004.db2.gz	JJJJNCUXQBULTG-UHFFFAOYSA-N	-1	0	294.734	4.135	10	10		CICERM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(C(C)C)cc1	ZINC000021952505	171340003	/nfs/dbraw/zinc/34/00/03/171340003.db2.gz	YXOYJATYUHYNQH-JXMROGBWSA-N	-1	0	283.371	4.315	10	10		CICERM
Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1	ZINC000184881053	262032262	/nfs/dbraw/zinc/03/22/62/262032262.db2.gz	LOKDUIPJOJPYFO-QWRGUYRKSA-N	-1	0	279.767	4.359	10	10		CICERM
O=C([O-])c1cccc2c1N[C@H]([C@H]1CC=CCC1)[C@@H]1CC=C[C@H]21	ZINC000004030195	567855126	/nfs/dbraw/zinc/85/51/26/567855126.db2.gz	ZCWMDMKMAUZFMH-SZOQZIPDSA-N	-1	0	295.382	4.195	10	10		CICERM
Cc1cc(C(=O)[O-])c(C)n1-c1ccccc1SC(F)F	ZINC000021819339	171334002	/nfs/dbraw/zinc/33/40/02/171334002.db2.gz	HZFGLIMJFVGVEH-UHFFFAOYSA-N	-1	0	297.326	4.107	10	10		CICERM
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2cc(Cl)ccc2O)o1	ZINC000184881070	262032429	/nfs/dbraw/zinc/03/24/29/262032429.db2.gz	LOKDUIPJOJPYFO-GHMZBOCLSA-N	-1	0	279.767	4.359	10	10		CICERM
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2cc(Cl)ccc2O)o1	ZINC000184881035	262032730	/nfs/dbraw/zinc/03/27/30/262032730.db2.gz	LOKDUIPJOJPYFO-WDEREUQCSA-N	-1	0	279.767	4.359	10	10		CICERM
O=C([O-])c1cccc2c1N[C@H]([C@@H]1CC=CCC1)[C@@H]1CC=C[C@@H]21	ZINC000226862485	570316156	/nfs/dbraw/zinc/31/61/56/570316156.db2.gz	ZCWMDMKMAUZFMH-VMUDFCTBSA-N	-1	0	295.382	4.195	10	10		CICERM