smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cc(-c2ccccc2)sc([O-])c1Cc1ccc(Cl)cc1	ZINC000100359253	219097646	/nfs/dbraw/zinc/09/76/46/219097646.db2.gz	PTRPREDJTQIMRZ-UHFFFAOYSA-N	-1	1	328.820	4.725	10	0		EJAEMM
O=c1sc(-c2ccccc2)cc([O-])c1Cc1ccc(Cl)cc1	ZINC000100359253	219097649	/nfs/dbraw/zinc/09/76/49/219097649.db2.gz	PTRPREDJTQIMRZ-UHFFFAOYSA-N	-1	1	328.820	4.725	10	0		EJAEMM
O=C(Nc1ccccc1Br)c1ccc2ccccc2c1[O-]	ZINC000019807267	212071325	/nfs/dbraw/zinc/07/13/25/212071325.db2.gz	SRMZKWHBFQHZGU-UHFFFAOYSA-N	-1	1	342.192	4.560	10	0		EJAEMM
O=C(Nc1ccc(Cl)cc1)c1c2[nH]c3ccccc3c2ccc1[O-]	ZINC000005935079	563554724	/nfs/dbraw/zinc/55/47/24/563554724.db2.gz	AIYBQVVTHZHPDG-UHFFFAOYSA-N	-1	1	336.778	4.932	10	0		EJAEMM
O=C([O-])c1nc2c([nH]1)S[C@@H](c1ccccc1)[C@H]2C1CCCCC1	ZINC000039124055	213231924	/nfs/dbraw/zinc/23/19/24/213231924.db2.gz	SUCSPTSSZUUYGX-ZFWWWQNUSA-N	-1	1	328.437	4.619	10	0		EJAEMM
[O-]c1cc(N2CCN(c3ccccc3)CC2)c2ccccc2c1Cl	ZINC000038536753	213213272	/nfs/dbraw/zinc/21/32/72/213213272.db2.gz	WDSXDLJHCPVITI-UHFFFAOYSA-N	-1	1	338.838	4.525	10	0		EJAEMM
O=C(Nc1cccc(Br)c1)c1ccc2ccccc2c1[O-]	ZINC000019998814	212093928	/nfs/dbraw/zinc/09/39/28/212093928.db2.gz	ZNSYVAWEATZUHA-UHFFFAOYSA-N	-1	1	342.192	4.560	10	0		EJAEMM
CC[C@@H](c1c(=O)cc(C)oc1[O-])C(c1ccccc1)c1ccccc1	ZINC000255980810	201190631	/nfs/dbraw/zinc/19/06/31/201190631.db2.gz	JHCQYJGTGCXNLI-GOSISDBHSA-N	-1	1	334.415	4.980	10	0		EJAEMM
CC[C@@H](c1c([O-])cc(C)oc1=O)C(c1ccccc1)c1ccccc1	ZINC000255980810	201190635	/nfs/dbraw/zinc/19/06/35/201190635.db2.gz	JHCQYJGTGCXNLI-GOSISDBHSA-N	-1	1	334.415	4.980	10	0		EJAEMM
CC[C@H](c1c(=O)cc(C)oc1[O-])C(c1ccccc1)c1ccccc1	ZINC000255980811	244057296	/nfs/dbraw/zinc/05/72/96/244057296.db2.gz	JHCQYJGTGCXNLI-SFHVURJKSA-N	-1	1	334.415	4.980	10	0		EJAEMM
CC[C@H](c1c([O-])cc(C)oc1=O)C(c1ccccc1)c1ccccc1	ZINC000255980811	244057300	/nfs/dbraw/zinc/05/73/00/244057300.db2.gz	JHCQYJGTGCXNLI-SFHVURJKSA-N	-1	1	334.415	4.980	10	0		EJAEMM
CC(C)=CCC/C(C)=C/Cc1c([O-])cc(O)c(C(=O)C(C)C)c1O	ZINC000015120709	211804221	/nfs/dbraw/zinc/80/42/21/211804221.db2.gz	TXDNBNXWWCEVMG-NTEUORMPSA-N	-1	1	332.440	4.877	10	0		EJAEMM
O=C([O-])c1nc2c([nH]1)S[C@H](c1ccccc1)[C@@H]2C1CCCCC1	ZINC000039124052	213231711	/nfs/dbraw/zinc/23/17/11/213231711.db2.gz	SUCSPTSSZUUYGX-UKRRQHHQSA-N	-1	1	328.437	4.619	10	0		EJAEMM
O=C([O-])c1nc2c([nH]1)S[C@H](c1ccccc1)[C@H]2C1CCCCC1	ZINC000039124054	213231681	/nfs/dbraw/zinc/23/16/81/213231681.db2.gz	SUCSPTSSZUUYGX-DZGCQCFKSA-N	-1	1	328.437	4.619	10	0		EJAEMM
O=C1[N-]C(=S)SC1=Cc1ccc(OCCc2ccccc2)cc1	ZINC000035362680	213022680	/nfs/dbraw/zinc/02/26/80/213022680.db2.gz	VYNQJINPHORWHR-VBKFSLOCSA-N	-1	1	341.457	4.637	10	0		EJAEMM
O=S(=O)([N-]c1ccc(-c2cc3ccccc3[nH]2)cc1)c1ccccc1	ZINC000033025719	563930649	/nfs/dbraw/zinc/93/06/49/563930649.db2.gz	XWWVLYOKEMSJCJ-UHFFFAOYSA-N	-1	1	348.427	4.636	10	0		EJAEMM
S=c1cc(-c2ccccc2)[n-]n1-c1ccc(Br)cc1	ZINC000104013891	219339486	/nfs/dbraw/zinc/33/94/86/219339486.db2.gz	KATOTRWNIPLTMK-UHFFFAOYSA-N	-1	1	331.238	4.591	10	0		EJAEMM
Cc1ccc2nc([N-]c3ncnc(Oc4ccccc4)c3N)sc2c1	ZINC000040783588	213386691	/nfs/dbraw/zinc/38/66/91/213386691.db2.gz	HRIOJRJPDOQLHG-UHFFFAOYSA-N	-1	1	349.419	4.513	10	0		EJAEMM