smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)c(Cl)cc1F	ZINC000159658268	432692126	/nfs/dbraw/zinc/69/21/26/432692126.db2.gz	SDQWZPAJGZSATB-UHFFFAOYSA-N	0	2	318.732	3.122	10	70		DGIELN
Cc1nn(C)cc1C(=O)N[C@@H](C)c1ccc(OCC(C)C)cc1	ZINC000159717266	186137147	/nfs/dbraw/zinc/13/71/47/186137147.db2.gz	SSIMCPABPXNOFF-ZDUSSCGKSA-N	0	2	315.417	3.254	10	70		DGIELN
Cc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159656389	432692069	/nfs/dbraw/zinc/69/20/69/432692069.db2.gz	QAAPFNLRNQKELE-UHFFFAOYSA-N	0	2	314.769	3.292	10	70		DGIELN
Cc1cc(CC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)n[nH]1	ZINC000159723232	186137328	/nfs/dbraw/zinc/13/73/28/186137328.db2.gz	PGPJHDMRTITCDX-CQSZACIVSA-N	0	2	315.417	3.173	10	70		DGIELN
Cc1cc(CC(=O)N[C@H](C)c2ccc(OCC(C)C)cc2)[nH]n1	ZINC000159723232	186137329	/nfs/dbraw/zinc/13/73/29/186137329.db2.gz	PGPJHDMRTITCDX-CQSZACIVSA-N	0	2	315.417	3.173	10	70		DGIELN
CC(C)c1cc(NS(=O)(=O)c2cccc(C(C)C)c2)[nH]n1	ZINC000160655126	432734505	/nfs/dbraw/zinc/73/45/05/432734505.db2.gz	FJOFCPYJEAHWTK-UHFFFAOYSA-N	0	2	307.419	3.457	10	70		DGIELN
Cc1cnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)s1	ZINC000159496704	292793833	/nfs/dbraw/zinc/79/38/33/292793833.db2.gz	OCCVGFCRINUROU-UHFFFAOYSA-N	0	2	320.798	3.353	10	70		DGIELN
CC(C)[C@@H](C)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	ZINC000159720224	186137278	/nfs/dbraw/zinc/13/72/78/186137278.db2.gz	APHWGXYLWGHJKZ-SNVBAGLBSA-N	0	2	311.813	3.208	10	70		DGIELN
COc1ccsc1S(=O)(=O)Nc1nc(C(C)C)cs1	ZINC000159542450	432686419	/nfs/dbraw/zinc/68/64/19/432686419.db2.gz	LGRUOZMTWIMJEP-UHFFFAOYSA-N	0	2	318.445	3.137	10	70		DGIELN
Cc1ccc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)nc1	ZINC000159656987	432692546	/nfs/dbraw/zinc/69/25/46/432692546.db2.gz	QKNOURXQTXNZIG-UHFFFAOYSA-N	0	2	314.769	3.292	10	70		DGIELN
Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(OCC(C)C)cc1	ZINC000159717392	186137565	/nfs/dbraw/zinc/13/75/65/186137565.db2.gz	SSIMCPABPXNOFF-CYBMUJFWSA-N	0	2	315.417	3.254	10	70		DGIELN
Cc1cc(S(=O)(=O)Nc2nccs2)c(Cl)cc1F	ZINC000159473682	432685206	/nfs/dbraw/zinc/68/52/06/432685206.db2.gz	ZKLDUEPQNKQFIO-UHFFFAOYSA-N	0	2	306.771	3.045	10	70		DGIELN
CC(C)c1cc(NS(=O)(=O)c2cccc3ccccc32)[nH]n1	ZINC000160643956	528052527	/nfs/dbraw/zinc/05/25/27/528052527.db2.gz	VDRJXVQETWBZTM-UHFFFAOYSA-N	0	2	315.398	3.487	10	70		DGIELN
CC(C)c1csc(CNC(=O)c2c(O)cc(F)cc2F)n1	ZINC000160575106	546060711	/nfs/dbraw/zinc/06/07/11/546060711.db2.gz	SGYLPNOCCRPBHP-UHFFFAOYSA-N	0	2	312.341	3.180	10	70		DGIELN
Cc1cc(CC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)n[nH]1	ZINC000159723101	186137586	/nfs/dbraw/zinc/13/75/86/186137586.db2.gz	PGPJHDMRTITCDX-AWEZNQCLSA-N	0	2	315.417	3.173	10	70		DGIELN
Cc1cc(CC(=O)N[C@@H](C)c2ccc(OCC(C)C)cc2)[nH]n1	ZINC000159723101	186137587	/nfs/dbraw/zinc/13/75/87/186137587.db2.gz	PGPJHDMRTITCDX-AWEZNQCLSA-N	0	2	315.417	3.173	10	70		DGIELN
Cc1ccncc1NS(=O)(=O)c1cc(C)c(F)cc1Cl	ZINC000159817251	432697396	/nfs/dbraw/zinc/69/73/96/432697396.db2.gz	RUECDUGDMNFYJX-UHFFFAOYSA-N	0	2	314.769	3.292	10	70		DGIELN
COc1ccsc1S(=O)(=O)Nc1ccc2oc(C)nc2c1	ZINC000159647538	292797632	/nfs/dbraw/zinc/79/76/32/292797632.db2.gz	SMGSLTZLWASBEX-UHFFFAOYSA-N	0	2	324.383	3.007	10	70		DGIELN
CCc1noc(C)c1NS(=O)(=O)c1ccc(CC)c(CC)c1	ZINC000160325762	292812198	/nfs/dbraw/zinc/81/21/98/292812198.db2.gz	JLQYUSVFMNGPSR-UHFFFAOYSA-N	0	2	322.430	3.471	10	70		DGIELN
Cc1cc(S(=O)(=O)Nc2ncccc2C)c(Cl)cc1F	ZINC000159653434	432692746	/nfs/dbraw/zinc/69/27/46/432692746.db2.gz	ORUDOXHETXDKPA-UHFFFAOYSA-N	0	2	314.769	3.292	10	70		DGIELN
O=C(NCCc1cc2ccccc2[nH]1)c1c(O)cc(F)cc1F	ZINC000159683778	546055361	/nfs/dbraw/zinc/05/53/61/546055361.db2.gz	MZLQCZFZPGFMFL-UHFFFAOYSA-N	0	2	316.307	3.124	10	70		DGIELN
Cc1csc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)n1	ZINC000159479249	432685133	/nfs/dbraw/zinc/68/51/33/432685133.db2.gz	JNBHHFDHLIIJHI-UHFFFAOYSA-N	0	2	320.798	3.353	10	70		DGIELN
CC(C)[C@H](C)NC(=O)c1ccc(NC(=O)N(C)C)cc1Cl	ZINC000159720310	186137130	/nfs/dbraw/zinc/13/71/30/186137130.db2.gz	APHWGXYLWGHJKZ-JTQLQIEISA-N	0	2	311.813	3.208	10	70		DGIELN
Cc1ccnc(NS(=O)(=O)c2cc(C)c(F)cc2Cl)c1	ZINC000159591961	432687605	/nfs/dbraw/zinc/68/76/05/432687605.db2.gz	MHLQOJHISJFELA-UHFFFAOYSA-N	0	2	314.769	3.292	10	70		DGIELN