smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1Nc1ccc2c([O-])cc(S(=O)(=O)[O-])cc2c1	ZINC000001669805	564099014	/nfs/dbraw/zinc/09/90/14/564099014.db2.gz	XWZHIFXGDVIKDU-UHFFFAOYSA-N	-2	3	345.376	3.544	40	0		EHABHL
CCCc1nc(SC(=Cc2c(C)[nH]c3ccccc32)C(=O)[O-])n[n-]1	ZINC000007342235	564126615	/nfs/dbraw/zinc/12/66/15/564126615.db2.gz	MMQAZCRGVCCFBC-ZROIWOOFSA-N	-2	3	342.424	3.765	40	0		EHABHL
CCCc1nc(SC(=Cc2ccc(SC)cc2)C(=O)[O-])n[n-]1	ZINC000007342214	564126595	/nfs/dbraw/zinc/12/65/95/564126595.db2.gz	TZCCDJWRJXYAKC-XFXZXTDPSA-N	-2	3	335.454	3.697	40	0		EHABHL
CCc1nc(SC(=Cc2cn(CC)c3ccccc23)C(=O)[O-])n[n-]1	ZINC000213406300	564128886	/nfs/dbraw/zinc/12/88/86/564128886.db2.gz	GQDZUMXGGYIHSS-ZROIWOOFSA-N	-2	3	342.424	3.560	40	0		EHABHL
C=CCOc1ccccc1C=C(Sc1n[n-]c(CCC)n1)C(=O)[O-]	ZINC000007342221	563994430	/nfs/dbraw/zinc/99/44/30/563994430.db2.gz	JCNJHCZUSACAQO-KAMYIIQDSA-N	-2	3	345.424	3.540	40	0		EHABHL
CCc1nc(SC(=Cc2cccc(Cl)c2Cl)C(=O)[O-])n[n-]1	ZINC000007342584	564126652	/nfs/dbraw/zinc/12/66/52/564126652.db2.gz	SZKLQZBQJNVRMV-TWGQIWQCSA-N	-2	3	344.223	3.892	40	0		EHABHL
Cc1ccc(Nc2ccc3c([O-])cc(S(=O)(=O)[O-])cc3c2)cc1	ZINC000021984806	212267126	/nfs/dbraw/zinc/26/71/26/212267126.db2.gz	ZGYORVJCTDDDCM-UHFFFAOYSA-N	-2	3	329.377	3.844	40	0		EHABHL
CCCc1nc(SC(=Cc2ccccc2OC(C)C)C(=O)[O-])n[n-]1	ZINC000007342321	564126644	/nfs/dbraw/zinc/12/66/44/564126644.db2.gz	NSIIHPNRCVHCCA-UVTDQMKNSA-N	-2	3	347.440	3.762	40	0		EHABHL
CCCOc1ccc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc1	ZINC000007342365	563994448	/nfs/dbraw/zinc/99/44/48/563994448.db2.gz	VWLNMTJRVLANCI-SDNWHVSQSA-N	-2	3	347.440	3.764	40	0		EHABHL
COc1ccc(Br)cc1C([O-])=CC(=O)c1ccccc1[O-]	ZINC000113704297	563990164	/nfs/dbraw/zinc/99/01/64/563990164.db2.gz	IWOBNJCBKRSRAO-UHFFFAOYSA-N	-2	3	349.180	3.619	40	0		EHABHL
Cc1[n-]n(C(=O)Nc2ccccc2[O-])c(=O)c1Cc1ccc(C)cc1	ZINC000009926854	211134487	/nfs/dbraw/zinc/13/44/87/211134487.db2.gz	MMZHTSSZNJEFJK-UHFFFAOYSA-N	-2	3	337.379	3.582	40	0		EHABHL
O=C([O-])c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)c([O-])c1	ZINC000238187872	564120071	/nfs/dbraw/zinc/12/00/71/564120071.db2.gz	FYVIKQBYXNURAB-UHFFFAOYSA-N	-2	3	331.711	3.742	40	0		EHABHL
CCc1nc(SC(=Cc2ccc(OCC(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000007342603	564126656	/nfs/dbraw/zinc/12/66/56/564126656.db2.gz	FHUUPJVEULRONR-NTEUORMPSA-N	-2	3	347.440	3.620	40	0		EHABHL
O=C([O-])c1ccc([O-])c(NC(=O)c2cc3cc(Cl)ccc3o2)c1	ZINC000408610517	563498709	/nfs/dbraw/zinc/49/87/09/563498709.db2.gz	RQFXBBOIBOHWHU-UHFFFAOYSA-N	-2	3	331.711	3.742	40	0		EHABHL
Cc1nc(C=Cc2cc3ccccc3s2)[n-]c(=O)c1CC(=O)[O-]	ZINC000349107742	1141639961	/nfs/dbraw/zinc/63/99/61/1141639961.db2.gz	KLLZOFRQXPVCGR-VOTSOKGWSA-N	-2	3	326.377	3.503	40	0		EHABHL
CCc1nc(SC(=Cc2ccc(Cl)cc2Cl)C(=O)[O-])n[n-]1	ZINC000007342493	563994494	/nfs/dbraw/zinc/99/44/94/563994494.db2.gz	PMXFMYDCZLPTKE-YHYXMXQVSA-N	-2	3	344.223	3.892	40	0		EHABHL
C=CCOc1ccc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])cc1	ZINC000007342219	563994444	/nfs/dbraw/zinc/99/44/44/563994444.db2.gz	BZUHXYKDHVHVIC-KAMYIIQDSA-N	-2	3	345.424	3.540	40	0		EHABHL
CCCc1nc(SC(=Cc2ccc(OC(C)C)cc2)C(=O)[O-])n[n-]1	ZINC000007342329	564126672	/nfs/dbraw/zinc/12/66/72/564126672.db2.gz	GNHDANWUUHMYEM-UVTDQMKNSA-N	-2	3	347.440	3.762	40	0		EHABHL
O=C([O-])c1ccc(-c2ccc(C=C3SC(=O)[N-]C3=O)o2)cc1Cl	ZINC000214270461	564128870	/nfs/dbraw/zinc/12/88/70/564128870.db2.gz	FUQSAZPVPHSGEE-WUXMJOGZSA-N	-2	3	349.751	3.622	40	0		EHABHL
C=CCOc1cccc(C=C(Sc2n[n-]c(CCC)n2)C(=O)[O-])c1	ZINC000007342220	563994425	/nfs/dbraw/zinc/99/44/25/563994425.db2.gz	XSIVRWXVJATEFE-KAMYIIQDSA-N	-2	3	345.424	3.540	40	0		EHABHL
COc1cc(Br)c2sc(C(=O)[O-])c(Cl)c2c1[O-]	ZINC000228956580	564118189	/nfs/dbraw/zinc/11/81/89/564118189.db2.gz	JEYAQKVSHGQQMB-UHFFFAOYSA-N	-2	3	337.578	3.730	40	0		EHABHL
Cc1cc(=S)[n-]c2ccc(S(=O)(=O)[N-]c3ccccc3)cc12	ZINC000217429222	241247909	/nfs/dbraw/zinc/24/79/09/241247909.db2.gz	MDSFUPOQINMZDB-UHFFFAOYSA-N	-2	3	330.434	3.633	40	0		EHABHL
CCc1nc(SC(=Cc2cccc3ccccc23)C(=O)[O-])n[n-]1	ZINC000007342472	564126628	/nfs/dbraw/zinc/12/66/28/564126628.db2.gz	BZADBGRDBUHJLA-UVTDQMKNSA-N	-2	3	325.393	3.738	40	0		EHABHL
O=C1c2cccc3cc([O-])cc(c32)C(=O)N1c1cc(Cl)ccc1[O-]	ZINC000016431666	563811338	/nfs/dbraw/zinc/81/13/38/563811338.db2.gz	RDEKCZNZEWBRBL-UHFFFAOYSA-N	-2	3	339.734	3.705	40	0		EHABHL
Cc1nc(C=Cc2ccc(-c3ccccc3)o2)[n-]c(=O)c1CC(=O)[O-]	ZINC000349105236	1141639418	/nfs/dbraw/zinc/63/94/18/1141639418.db2.gz	GNSWSJHSLMMEMF-CSKARUKUSA-N	-2	3	336.347	3.548	40	0		EHABHL