smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C=O)ccc([O-])c1O	39059351	537831015	/nfs/dbraw/zinc/83/10/15/537831015.db2.gz	OSYMDNUEVGSSKZ-UHFFFAOYSA-N	-1	1	152.149	1.219	50	10		ADCAMM
Cc1cc(=O)oc2cc([O-])c(O)cc12	58125	342925319	/nfs/dbraw/zinc/92/53/19/342925319.db2.gz	KVOJTUXGYQVLAJ-UHFFFAOYSA-N	-1	1	192.170	1.513	50	10	aggregator,biogenic,in-vitro	ADCAMM
CCC(=O)c1ccc([O-])c(O)c1	1691674	342959053	/nfs/dbraw/zinc/95/90/53/342959053.db2.gz	HNWIHBDMOYWCGX-UHFFFAOYSA-N	-1	1	166.176	1.691	50	10	in-vitro	ADCAMM
CC(=O)c1cc(O)c([O-])c(O)c1	2009969	166318464	/nfs/dbraw/zinc/31/84/64/166318464.db2.gz	IBKQQKPQRYUGBJ-UHFFFAOYSA-N	-1	1	168.148	1.006	50	10		ADCAMM
CC(=O)c1ccc([O-])c(O)c1	900177	166324669	/nfs/dbraw/zinc/32/46/69/166324669.db2.gz	UCQUAMAQHHEXGD-UHFFFAOYSA-N	-1	1	152.149	1.300	50	10	endogenous,in-man	ADCAMM
COC(=O)c1sc(C)cc1[O-]	4039359	168138655	/nfs/dbraw/zinc/13/86/55/168138655.db2.gz	PLTCMJBEOCSRII-UHFFFAOYSA-N	-1	1	172.205	1.549	50	10	in-vitro	ADCAMM
COC(=O)c1sc2c(c1[O-])CCC2	96029620	168138721	/nfs/dbraw/zinc/13/87/21/168138721.db2.gz	ACANMVQHXWYSRD-UHFFFAOYSA-N	-1	1	198.243	1.729	50	10		ADCAMM
COC(=O)c1sccc1[O-]	105318	168139243	/nfs/dbraw/zinc/13/92/43/168139243.db2.gz	SEMVRXMFCHXUMD-UHFFFAOYSA-N	-1	1	158.178	1.240	50	10		ADCAMM
COC(=O)c1sc(C)c(C)c1[O-]	51943298	168139818	/nfs/dbraw/zinc/13/98/18/168139818.db2.gz	UKXGHKYPVCZEIW-UHFFFAOYSA-N	-1	1	186.232	1.857	50	10		ADCAMM
N#C[N-][N+](=O)c1ccc(C(=O)[O-])cc1	104190211	169106622	/nfs/dbraw/zinc/10/66/22/169106622.db2.gz	LDRFVNKBORCKQS-UHFFFAOYSA-N	-1	1	191.146	1.460	50	10		ADCAMM
N#CC1=C([O-])c2cccc3ccn(c23)C1	197951	169109467	/nfs/dbraw/zinc/10/94/67/169109467.db2.gz	LINHVPOSFQWOBY-SECBINFHSA-N	-1	1	196.209	1.977	50	10		ADCAMM
N#CC1=C([O-])c2cccc3ccn(c23)C1	197947	169112905	/nfs/dbraw/zinc/11/29/05/169112905.db2.gz	LINHVPOSFQWOBY-VIFPVBQESA-N	-1	1	196.209	1.977	50	10		ADCAMM
O=C1CCc2c1ccc([O-])c2O	78808769	169376433	/nfs/dbraw/zinc/37/64/33/169376433.db2.gz	VZODOCRNFNMTMB-UHFFFAOYSA-N	-1	1	164.160	1.227	50	10	in-vitro	ADCAMM
O=C1CCc2cc([O-])c(O)cc21	35881892	169377836	/nfs/dbraw/zinc/37/78/36/169377836.db2.gz	WMDAUVLSCBKCBO-UHFFFAOYSA-N	-1	1	164.160	1.227	50	10	in-vitro	ADCAMM
O=C1[N-]C(=S)SC1=C1CCCC1	4021308	169384920	/nfs/dbraw/zinc/38/49/20/169384920.db2.gz	GVQMNRSQVSQAKK-UHFFFAOYSA-N	-1	1	199.300	1.962	50	10		ADCAMM
CCOC=C1SC(=S)[N-]C1=O	2799762	171008687	/nfs/dbraw/zinc/00/86/87/171008687.db2.gz	BPNCBJFIFVKUAA-ARJAWSKDSA-N	-1	1	189.261	1.012	50	10		ADCAMM
CC(C)C=C1SC(=S)[N-]C1=O	4775374	171013935	/nfs/dbraw/zinc/01/39/35/171013935.db2.gz	ZQDWNNZEZHHLNA-HWKANZROSA-N	-1	1	187.289	1.674	50	10		ADCAMM
CCC(C)=C1SC(=S)[N-]C1=O	5201175	342999896	/nfs/dbraw/zinc/99/98/96/342999896.db2.gz	KYHPVTRYVXMKSZ-SNAWJCMRSA-N	-1	1	187.289	1.818	50	10		ADCAMM
Cc1cc(=O)n(-c2ccc(N)cc2)[n-]1	5925899	343009905	/nfs/dbraw/zinc/00/99/05/343009905.db2.gz	SDZQMVBRZRHNFM-UHFFFAOYSA-N	-1	1	189.218	1.056	50	10		ADCAMM
Cc1cc(=O)n(-c2ccc(N)cc2)[n-]1	100021821	343709000	/nfs/dbraw/zinc/70/90/00/343709000.db2.gz	VNXUPEPDMYVBQY-UHFFFAOYSA-N	-1	1	189.218	1.381	50	10	in-vitro	ADCAMM
Cc1cc(=O)n(-c2ccc(N)cc2)[n-]1	100723080	343720057	/nfs/dbraw/zinc/72/00/57/343720057.db2.gz	DBFGHUSISCXRQA-UHFFFAOYSA-N	-1	1	189.218	1.469	50	10		ADCAMM
COC(=O)C(=C[O-])c1cccc(F)c1	169254903	344350034	/nfs/dbraw/zinc/35/00/34/344350034.db2.gz	FVDAKYMGTKUXFM-TWGQIWQCSA-N	-1	1	196.177	1.898	50	10		ADCAMM
O=c1oc2cc([O-])c(O)cc2s1	238725445	344822099	/nfs/dbraw/zinc/82/20/99/344822099.db2.gz	IFEMIQVVCZRAKE-UHFFFAOYSA-N	-1	1	184.172	1.266	50	10		ADCAMM
COC(=O)C(=C[O-])c1ccccc1F	601008695	346918343	/nfs/dbraw/zinc/91/83/43/346918343.db2.gz	SGTXCUWCLPCMBB-VURMDHGXSA-N	-1	1	196.177	1.898	50	10		ADCAMM
O=c1ccc2cc(O)c([O-])cc2o1	57908	351269081	/nfs/dbraw/zinc/26/90/81/351269081.db2.gz	ILEDWLMCKZNDJK-UHFFFAOYSA-N	-1	1	178.143	1.204	50	10	endogenous,in-man	ADCAMM
O=Cc1ccc(F)c(O)c1[O-]	39125648	351494664	/nfs/dbraw/zinc/49/46/64/351494664.db2.gz	PYHLVOZUPKBSNK-UHFFFAOYSA-N	-1	1	156.112	1.049	50	10		ADCAMM