smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc([O-])c(Cl)c(C)c1Cl	1280	342923711	/nfs/dbraw/zinc/92/37/11/342923711.db2.gz	IYOLBFFHPZOQGW-UHFFFAOYSA-N	-1	1	191.057	3.316	50	0	in-man	AGAAMM
[O-]c1c(Cl)ccc2ccccc12	2034477	171004390	/nfs/dbraw/zinc/00/43/90/171004390.db2.gz	WONRDHPFOHAWOG-UHFFFAOYSA-N	-1	1	178.618	3.199	50	0	in-vitro	AGAAMM
[O-]c1cc(C(F)(F)F)ccc1Cl	2566263	171007588	/nfs/dbraw/zinc/00/75/88/171007588.db2.gz	SUIZARUATMVYRT-UHFFFAOYSA-N	-1	1	196.555	3.064	50	0		AGAAMM
[O-]c1cccc(C(F)(F)F)c1Cl	2558676	171007627	/nfs/dbraw/zinc/00/76/27/171007627.db2.gz	BGXZMBZFGAIBDH-UHFFFAOYSA-N	-1	1	196.555	3.064	50	0	in-vitro	AGAAMM
[O-]c1ccc(C(F)(F)F)cc1Cl	2584282	171008638	/nfs/dbraw/zinc/00/86/38/171008638.db2.gz	YNWKEXMSQQUMEL-UHFFFAOYSA-N	-1	1	196.555	3.064	50	0	in-vitro	AGAAMM
[O-]c1ccc(Cl)cc1C(F)(F)F	21304553	171040008	/nfs/dbraw/zinc/04/00/08/171040008.db2.gz	LUYVFIYUQPJQOJ-UHFFFAOYSA-N	-1	1	196.555	3.064	50	0	in-vitro	AGAAMM
[O-]c1cccc(Cl)c1C(F)(F)F	34768507	171057406	/nfs/dbraw/zinc/05/74/06/171057406.db2.gz	WIMFOMTYQPDJBK-UHFFFAOYSA-N	-1	1	196.555	3.064	50	0		AGAAMM
Cc1cc(Cl)cc(Cl)c1[O-]	394665	342937550	/nfs/dbraw/zinc/93/75/50/342937550.db2.gz	WJQZZLQMLJPKQH-UHFFFAOYSA-N	-1	1	177.030	3.007	50	0	in-vitro	AGAAMM
Cc1c(Cl)ccc([O-])c1Cl	406325	342938813	/nfs/dbraw/zinc/93/88/13/342938813.db2.gz	GIXSFSVVKULPEK-UHFFFAOYSA-N	-1	1	177.030	3.007	50	0		AGAAMM
CCCCCC(=O)c1ccc([O-])cc1	1594900	342949986	/nfs/dbraw/zinc/94/99/86/342949986.db2.gz	YDGNMJZDWLQUTE-UHFFFAOYSA-N	-1	1	192.258	3.155	50	0	in-vitro	AGAAMM
Cc1cc([O-])c(Cl)cc1Cl	1690426	342958923	/nfs/dbraw/zinc/95/89/23/342958923.db2.gz	NDCNJVOXMCCKBP-UHFFFAOYSA-N	-1	1	177.030	3.007	50	0		AGAAMM
Cc1cc([O-])c(Cl)c(Cl)c1	148604123	344056386	/nfs/dbraw/zinc/05/63/86/344056386.db2.gz	VMLNKPCIONBENX-UHFFFAOYSA-N	-1	1	177.030	3.007	50	0		AGAAMM
CCCCc1cc(F)c([O-])c(F)c1	148775003	344058478	/nfs/dbraw/zinc/05/84/78/344058478.db2.gz	SZUVECJMEUNCLC-UHFFFAOYSA-N	-1	1	186.201	3.013	50	0		AGAAMM
[O-]c1ccc2ccccc2c1Cl	1669714	351292278	/nfs/dbraw/zinc/29/22/78/351292278.db2.gz	RMSOEGBYNWXXBG-UHFFFAOYSA-N	-1	1	178.618	3.199	50	0	in-vitro	AGAAMM
[O-]c1cc(Cl)c(Cl)c(Cl)c1	1764636	351299444	/nfs/dbraw/zinc/29/94/44/351299444.db2.gz	GBNHEBQXJVDXSW-UHFFFAOYSA-N	-1	1	197.448	3.352	50	0	in-vitro	AGAAMM
[O-]c1cc2ccccc2cc1Cl	1998877	351301094	/nfs/dbraw/zinc/30/10/94/351301094.db2.gz	BWVAMAOLWZGQDA-UHFFFAOYSA-N	-1	1	178.618	3.199	50	0		AGAAMM
[O-]c1cccc2c1oc1ccccc12	33505993	351431045	/nfs/dbraw/zinc/43/10/45/351431045.db2.gz	ZYGJIKIEQYYOKG-UHFFFAOYSA-N	-1	1	184.194	3.292	50	0		AGAAMM