smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CCCc1ccccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1O	ZINC000443415277	457761378	/nfs/dbraw/zinc/76/13/78/457761378.db2.gz	FHQWEBSXOCVUKD-UHFFFAOYSA-N	-1	2	347.392	3.010	10	30		EGEELM
Oc1ccc(C=NNc2cc[nH+]c3cc(Cl)ccc23)c(O)c1O	ZINC000004965504	210342674	/nfs/dbraw/zinc/34/26/74/210342674.db2.gz	KXRREBPUFAMIRF-UFWORHAWSA-N	-1	2	329.743	3.451	10	30		EGEELM
Cc1nc([C@H]2CCCOC2)sc1C(=O)C(C#N)c1ccccn1	ZINC000578298902	459176159	/nfs/dbraw/zinc/17/61/59/459176159.db2.gz	UUGYTYNOZRYTEA-STQMWFEESA-N	-1	2	327.409	3.231	10	30		EGEELM
Cc1nc([C@@H]2CCCOC2)sc1C(=O)C(C#N)c1ccccn1	ZINC000578298899	459176442	/nfs/dbraw/zinc/17/64/42/459176442.db2.gz	UUGYTYNOZRYTEA-CHWSQXEVSA-N	-1	2	327.409	3.231	10	30		EGEELM
Cc1ccc(F)c(O)c1C[N@@H+]1CCO[C@H](c2cccc(C#N)c2)C1	ZINC000952995536	1334633223	/nfs/dbraw/zinc/63/32/23/1334633223.db2.gz	PHYOSNGVBFOTOR-SFHVURJKSA-N	-1	2	326.371	3.285	10	30		EGEELM
CC(=O)c1cc(F)cc(C[N@@H+]2CCc3c(CC#N)cccc3C2)c1O	ZINC000860106377	1329148000	/nfs/dbraw/zinc/14/80/00/1329148000.db2.gz	HDOXIVCFYAIXLQ-UHFFFAOYSA-N	-1	2	338.382	3.358	10	30		EGEELM
O=C([O-])c1ccccc1SC/C(=N\O)c1cccc([N+](=O)[O-])c1	ZINC000004323945	304271537	/nfs/dbraw/zinc/27/15/37/304271537.db2.gz	NRFSGCLPVPUELW-DTQAZKPQSA-N	-1	2	332.337	3.264	10	30		EGEELM
C=C(C)c1cccc(NC(=O)c2cc(C)c3c(=O)[nH]c(=O)nc-3[n-]2)c1	ZINC001158610065	1381318267	/nfs/dbraw/zinc/31/82/67/1381318267.db2.gz	NFEJFIZXZJAHPO-UHFFFAOYSA-N	-1	2	336.351	3.030	10	30		EGEELM
Cc1nc([C@@H]2CCCOC2)sc1C(=O)C(C#N)c1ccccn1	ZINC000578298900	459175779	/nfs/dbraw/zinc/17/57/79/459175779.db2.gz	UUGYTYNOZRYTEA-OLZOCXBDSA-N	-1	2	327.409	3.231	10	30		EGEELM
O=C([O-])c1ccccc1SC/C(=N\O)c1ccc([N+](=O)[O-])cc1	ZINC000004693489	210249395	/nfs/dbraw/zinc/24/93/95/210249395.db2.gz	AGTBVLFTNFMDTG-DTQAZKPQSA-N	-1	2	332.337	3.264	10	30		EGEELM
Cc1ccc(F)c(O)c1C[N@@H+]1CCO[C@@H](c2cccc(C#N)c2)C1	ZINC000952995535	1334632976	/nfs/dbraw/zinc/63/29/76/1334632976.db2.gz	PHYOSNGVBFOTOR-GOSISDBHSA-N	-1	2	326.371	3.285	10	30		EGEELM
Cc1nc([C@H]2CCCOC2)sc1C(=O)C(C#N)c1ccccn1	ZINC000578298901	459176259	/nfs/dbraw/zinc/17/62/59/459176259.db2.gz	UUGYTYNOZRYTEA-QWHCGFSZSA-N	-1	2	327.409	3.231	10	30		EGEELM
CCOc1cc(C[N@@H+](CC)CCC#N)cc(Br)c1O	ZINC000297931091	456326685	/nfs/dbraw/zinc/32/66/85/456326685.db2.gz	ULLOYPNQBTVQMW-UHFFFAOYSA-N	-1	2	327.222	3.289	10	30		EGEELM