smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)[C@H](CC1CC1)[NH2+]Cc1ccccc1O	ZINC000840957719	587931882	/nfs/dbraw/zinc/93/18/82/587931882.db2.gz	MPGJWBDCEAHKKJ-LBPRGKRZSA-N	-1	2	249.310	1.824	20	10		BDCDLM
CCOC(=O)C[N@@H+](C)Cc1ccc(C)cc1O	ZINC000876565449	590216776	/nfs/dbraw/zinc/21/67/76/590216776.db2.gz	JHDPZVQTDSWADQ-UHFFFAOYSA-N	-1	2	237.299	1.696	20	10		BDCDLM
Cn1ccc(C[N@H+](C)Cc2cc(F)ccc2O)n1	ZINC001561045410	991702211	/nfs/dbraw/zinc/70/22/11/991702211.db2.gz	YQZKYWIAOCKZSS-UHFFFAOYSA-N	-1	2	249.289	1.897	20	10		BDCDLM
Cc1ccc(C[N@H+]2CCn3cncc3C2)c(O)c1	ZINC000877540032	590351042	/nfs/dbraw/zinc/35/10/42/590351042.db2.gz	XOTCSTJQYIRITA-UHFFFAOYSA-N	-1	2	243.310	1.913	20	10		BDCDLM
COC(=O)[C@@H](CC1CC1)[NH2+]Cc1ccccc1O	ZINC000840957717	587931540	/nfs/dbraw/zinc/93/15/40/587931540.db2.gz	MPGJWBDCEAHKKJ-GFCCVEGCSA-N	-1	2	249.310	1.824	20	10		BDCDLM
CCn1ncc(C[N@H+](C)Cc2ccccc2O)n1	ZINC000838800149	585069181	/nfs/dbraw/zinc/06/91/81/585069181.db2.gz	QSZWMPYBYBKOHA-UHFFFAOYSA-N	-1	2	246.314	1.636	20	10		BDCDLM
Oc1ccc(F)cc1C[N@@H+]1CCc2nn[nH]c2C1	ZINC000827884625	587407755	/nfs/dbraw/zinc/40/77/55/587407755.db2.gz	DWFSZKZYNDCEHX-UHFFFAOYSA-N	-1	2	248.261	1.208	20	10		BDCDLM
Cc1c[nH]c(C[NH2+]Cc2c(O)cccc2F)n1	ZINC000896637604	583819698	/nfs/dbraw/zinc/81/96/98/583819698.db2.gz	KSKFZVWNKCUMPA-UHFFFAOYSA-N	-1	2	235.262	1.853	20	10		BDCDLM
Oc1ccc(F)cc1C[N@H+]1CCO[C@H](CF)C1	ZINC000840955750	587931964	/nfs/dbraw/zinc/93/19/64/587931964.db2.gz	YOVQOIQLSBYYLX-LLVKDONJSA-N	-1	2	243.253	1.702	20	10		BDCDLM
Oc1c(Cl)cc(F)cc1C[N@@H+]1CC[C@@H](O)C1	ZINC001237809074	980061058	/nfs/dbraw/zinc/06/10/58/980061058.db2.gz	ZACOTSBGMRNIIK-SECBINFHSA-N	-1	2	245.681	1.751	20	10		BDCDLM
C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(F)c(F)c1O	ZINC001181796029	979310613	/nfs/dbraw/zinc/31/06/13/979310613.db2.gz	GVEKZHUNZSNSAJ-XVKPBYJWSA-N	-1	2	243.253	1.626	20	10		BDCDLM
COc1cccc(O)c1C[N@H+](C)Cc1cc[nH]n1	ZINC000769384041	585554920	/nfs/dbraw/zinc/55/49/20/585554920.db2.gz	KJGIEFKVMYNZPC-UHFFFAOYSA-N	-1	2	247.298	1.756	20	10		BDCDLM
CC(=O)C[N@@H+](C)Cc1cccc(F)c1O	ZINC001138124081	990886407	/nfs/dbraw/zinc/88/64/07/990886407.db2.gz	YQOQOBYOEKUOEN-UHFFFAOYSA-N	-1	2	211.236	1.552	20	10		BDCDLM
COC(=O)[C@@H](C)[NH2+]Cc1ccccc1O	ZINC000042303999	344450099	/nfs/dbraw/zinc/45/00/99/344450099.db2.gz	GFYYFTHUQFUFNK-MRVPVSSYSA-N	-1	2	209.245	1.043	20	10		BDCDLM
Cc1ccc(C[N@@H+](C)Cc2cn(C)nn2)c(O)c1	ZINC000877630657	590377547	/nfs/dbraw/zinc/37/75/47/590377547.db2.gz	IGVMTGVPSSZOCB-UHFFFAOYSA-N	-1	2	246.314	1.461	20	10		BDCDLM
CCc1noc(C[N@H+](C)Cc2ccccc2O)n1	ZINC000109769631	588592439	/nfs/dbraw/zinc/59/24/39/588592439.db2.gz	BZUFTTDMSFORIV-UHFFFAOYSA-N	-1	2	247.298	1.970	20	10		BDCDLM
Oc1ccc(F)cc1C[N@H+]1CCO[C@@H](CF)C1	ZINC000840955752	587931912	/nfs/dbraw/zinc/93/19/12/587931912.db2.gz	YOVQOIQLSBYYLX-NSHDSACASA-N	-1	2	243.253	1.702	20	10		BDCDLM
Cc1ccc(C(=O)NCc2c[nH]c[nH+]2)c(O)c1O	ZINC000780947529	585786983	/nfs/dbraw/zinc/78/69/83/585786983.db2.gz	MGZVKGKOGIYSJW-UHFFFAOYSA-N	-1	2	247.254	1.059	20	10		BDCDLM
OCCC1C[NH+](Cc2cccc(Cl)c2O)C1	ZINC000839141327	585094597	/nfs/dbraw/zinc/09/45/97/585094597.db2.gz	VXKOYHUEDXLXFB-UHFFFAOYSA-N	-1	2	241.718	1.860	20	10		BDCDLM
[NH3+][C@H]1CN(Cc2c(O)cc(F)cc2F)C[C@H]1F	ZINC001204824871	967186234	/nfs/dbraw/zinc/18/62/34/967186234.db2.gz	WOCGRLUKIIOYIU-ZJUUUORDSA-N	-1	2	246.232	1.151	20	10		BDCDLM
CCOC(=O)C[N@@H+](C)Cc1c(C)cccc1O	ZINC000876566035	590216986	/nfs/dbraw/zinc/21/69/86/590216986.db2.gz	WCAJOCWXFYTWPL-UHFFFAOYSA-N	-1	2	237.299	1.696	20	10		BDCDLM
C[C@@H](c1nncn1C)[N@H+](C)Cc1ccccc1O	ZINC000287761029	176039352	/nfs/dbraw/zinc/03/93/52/176039352.db2.gz	MGVBECVMTKBQBX-JTQLQIEISA-N	-1	2	246.314	1.714	20	10		BDCDLM
Cc1cn[nH]c1C[N@@H+]1Cc2cccc(O)c2C1	ZINC000877702743	583343627	/nfs/dbraw/zinc/34/36/27/583343627.db2.gz	FVISJHIUNNZUPD-UHFFFAOYSA-N	-1	2	229.283	1.940	20	10		BDCDLM
Oc1ccc(F)cc1C[NH+]1CC2(C1)CCCO2	ZINC000862484138	589217123	/nfs/dbraw/zinc/21/71/23/589217123.db2.gz	DGTUCYHPZLAEEU-UHFFFAOYSA-N	-1	2	237.274	1.896	20	10		BDCDLM
OCC[N@@H+](Cc1ccc(F)c(F)c1O)C1CC1	ZINC000876579306	590217065	/nfs/dbraw/zinc/21/70/65/590217065.db2.gz	DKXYPYOGXQTNKP-UHFFFAOYSA-N	-1	2	243.253	1.627	20	10		BDCDLM
CC[N@@H+](CC(N)=O)Cc1c(O)cccc1Cl	ZINC000231829989	385823371	/nfs/dbraw/zinc/82/33/71/385823371.db2.gz	RTKPNHUYGOJZAH-UHFFFAOYSA-N	-1	2	242.706	1.353	20	10		BDCDLM
Cc1[nH+]c[nH]c1CNC(=O)C1=CC(=O)CS1	ZINC000748405857	585192322	/nfs/dbraw/zinc/19/23/22/585192322.db2.gz	NKZNTKNNDQSCTO-UHFFFAOYSA-N	-1	2	237.284	1.415	20	10		BDCDLM
Oc1ccc(F)cc1C[N@@H+]1CCc2cn[nH]c2C1	ZINC000779021461	585744255	/nfs/dbraw/zinc/74/42/55/585744255.db2.gz	YXTSMBCBHSESMT-UHFFFAOYSA-N	-1	2	247.273	1.813	20	10		BDCDLM