smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC/N=C1\S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1c1ccccc1	ZINC000049115887	205169950	/nfs/dbraw/zinc/16/99/50/205169950.db2.gz	NYIGDJNZIIRUIZ-WJCPARMISA-N	-1	1	372.877	4.933	1	30		FJEFMM
CCCCCCCCCCCCCCCC([O-])=C1C(=O)O[C@H](CO)C1=O	ZINC000100870947	581095056	/nfs/dbraw/zinc/09/50/56/581095056.db2.gz	XXVADODARBQRBQ-GOSISDBHSA-N	-1	1	368.514	4.767	1	30	in-vivo	FJEFMM
CCCCCCCCCCCCCCCC(=O)C1=C([O-])O[C@H](CO)C1=O	ZINC000100870947	581095057	/nfs/dbraw/zinc/09/50/57/581095057.db2.gz	XXVADODARBQRBQ-GOSISDBHSA-N	-1	1	368.514	4.767	1	30	in-vivo	FJEFMM
CCOC(=O)c1c(C)oc2c1c(/C=N/c1ccccn1)c([O-])c1ccccc21	ZINC000102700709	205978729	/nfs/dbraw/zinc/97/87/29/205978729.db2.gz	QMUUQTWIDFPCBH-WYMPLXKRSA-N	-1	1	374.396	4.922	1	30		FJEFMM
CC(C)(C)CCOc1cccc(O)c1C(=O)/C=C/c1ccc(C(=O)[O-])cc1	ZINC000169353925	206253281	/nfs/dbraw/zinc/25/32/81/206253281.db2.gz	GJWRLBCFRULGHA-FMIVXFBMSA-N	-1	1	368.429	4.802	1	30		FJEFMM
C=C1CCC[C@@H]2[C@](C)(CC3=C([O-])C(=O)C=C(OC)C3=O)[C@@H](C)CC[C@]12C	ZINC000043562125	205103456	/nfs/dbraw/zinc/10/34/56/205103456.db2.gz	JJWITJNSXCXULM-XLIQEIGGSA-N	-1	1	358.478	4.670	1	30		FJEFMM
CC(C)=CCn1cc(/C=C2\Oc3cc([O-])cc(O)c3C2=O)c2ccccc21	ZINC000169344580	206253143	/nfs/dbraw/zinc/25/31/43/206253143.db2.gz	BYWYWHFKBQHXGJ-UKWGHVSLSA-N	-1	1	361.397	4.635	1	30		FJEFMM
CCO[C@@H]1C[C@H]2C(C)(C)CCC[C@]2(C)C2=C1C(=O)C(C(C)C)=C([O-])C2=O	ZINC000072113110	210212299	/nfs/dbraw/zinc/21/22/99/210212299.db2.gz	WLUUXQOJNUDCBK-QLEMLULZSA-N	-1	1	360.494	4.544	1	30		FJEFMM
COC1=CC(=O)C([O-])=C(C[C@]2(C)[C@@H](C)CC[C@]3(C)C(C)=CCC[C@@H]23)C1=O	ZINC000049881748	221029213	/nfs/dbraw/zinc/02/92/13/221029213.db2.gz	LKNAVZKSKJJHQH-YVUMSICPSA-N	-1	1	358.478	4.670	1	30		FJEFMM
O=C1/C(=C/c2ccc([O-])c(Cl)c2)S/C(=N\C2CC2)N1c1ccccc1	ZINC000049089422	205168544	/nfs/dbraw/zinc/16/85/44/205168544.db2.gz	XEUNHCXIWCSNRI-WQZDFCHPSA-N	-1	1	370.861	4.685	1	30		FJEFMM
COC1=CC(=O)C([O-])=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O	ZINC000014140650	581099699	/nfs/dbraw/zinc/09/96/99/581099699.db2.gz	PYUXUMSQSVWNDS-NSAJDELNSA-N	-1	1	358.478	4.670	1	30	in-vivo	FJEFMM
CN1C(=O)/C(=N\c2ccc(O)cc2)c2c3ccccc3c([O-])c3cccc1c32	ZINC000101625910	132233968	/nfs/dbraw/zinc/23/39/68/132233968.db2.gz	VPOONYWIGVSBME-FLFQWRMESA-N	-1	1	368.392	4.501	1	30		FJEFMM
CCc1c(=O)[n-]c(SC(C)C)nc1[C@@H](C#N)c1cccc2ccccc21	ZINC000040753731	208268787	/nfs/dbraw/zinc/26/87/87/208268787.db2.gz	QSIQINBRRQMBNI-SFHVURJKSA-N	-1	1	363.486	4.641	1	30		FJEFMM
CC/N=C1\S/C(=C\c2ccc([O-])c(Cl)c2)C(=O)N1c1ccccc1	ZINC000049110863	221019341	/nfs/dbraw/zinc/01/93/41/221019341.db2.gz	PKCGQPQYFAAAAK-JTHVCAJSSA-N	-1	1	358.850	4.542	1	30		FJEFMM
O=C1O[C@]2(CCCc3ccccc32)CC([O-])=C1SCCc1ccccc1	ZINC000006579552	207147520	/nfs/dbraw/zinc/14/75/20/207147520.db2.gz	HSEVBFPHXCWOCI-JOCHJYFZSA-N	-1	1	366.482	4.911	1	30		FJEFMM
O=C1c2ccccc2N[C@@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1[O-]	ZINC000036380706	208160180	/nfs/dbraw/zinc/16/01/80/208160180.db2.gz	RPXPIKPBDXXDBD-QGZVFWFLSA-N	-1	1	374.318	4.921	3	30		FJEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3cccnc3)cc2C2=CCCCC2)n1	ZINC000053296055	221044806	/nfs/dbraw/zinc/04/48/06/221044806.db2.gz	FHYBSQKDICXOBL-UHFFFAOYSA-N	-1	1	369.428	4.553	1	30		FJEFMM
CCCCCCc1cc2cc(-c3csc(CC#N)n3)c(=O)oc2cc1[O-]	ZINC000001650061	219414245	/nfs/dbraw/zinc/41/42/45/219414245.db2.gz	RSSBBYHZNXTGIN-UHFFFAOYSA-N	-1	1	368.458	4.811	1	30		FJEFMM
O=C(C=CNc1cc([N+](=O)[O-])ccc1[O-])c1ccc(Cl)c(Cl)c1	ZINC000101934975	209230530	/nfs/dbraw/zinc/23/05/30/209230530.db2.gz	FBEFOADDCKFXPA-QICMAEKLSA-N	-1	1	353.161	4.909	1	30		FJEFMM
CC([O-])=C1C(=O)[C@H](CC(C)C)N(Cc2ccc(-c3ccccc3)cc2)C1=O	ZINC000101448948	209226164	/nfs/dbraw/zinc/22/61/64/209226164.db2.gz	AFBYHWAGYWGJQE-CVVHJZTLSA-N	-1	1	363.457	4.512	1	30		FJEFMM
Cn1cc(/C=C2\Oc3cc([O-])ccc3C2=O)c2c1nccc2-c1ccccc1	ZINC000049071800	221019690	/nfs/dbraw/zinc/01/96/90/221019690.db2.gz	ZCVNAABGRHZZCS-JAIQZWGSSA-N	-1	1	368.392	4.562	1	30		FJEFMM
O=C1O[C@@]2(CCCc3ccccc32)CC([O-])=C1SCc1ccccc1	ZINC000006580315	207148115	/nfs/dbraw/zinc/14/81/15/207148115.db2.gz	PNMBPQSBROZJDI-NRFANRHFSA-N	-1	1	352.455	4.868	1	30		FJEFMM
O=C1c2ccccc2C(=O)C(Cc2ccc(OCc3ccccc3)cc2)=C1[O-]	ZINC000040937159	208277138	/nfs/dbraw/zinc/27/71/38/208277138.db2.gz	MTPFUCWSRNDEPL-UHFFFAOYSA-N	-1	1	370.404	4.699	1	30		FJEFMM
C=C1C(=O)C(=O)C([C@H](C)CCC=C(C)C)=C([O-])C1N[C@H](C)c1ccccc1	ZINC000102983037	222316754	/nfs/dbraw/zinc/31/67/54/222316754.db2.gz	FEUOLCSGIIJPNV-NVXWUHKLSA-N	-1	1	367.489	4.958	1	30		FJEFMM
O=C1c2ccccc2N[C@H](c2ccc(-c3ccc(C(F)(F)F)cc3)o2)N1[O-]	ZINC000038142059	208197647	/nfs/dbraw/zinc/19/76/47/208197647.db2.gz	RPXPIKPBDXXDBD-KRWDZBQOSA-N	-1	1	374.318	4.921	3	30		FJEFMM
N#Cc1c[n-]c(C(=O)Nc2ccc(-c3ccncc3)cc2C2=CCCCC2)n1	ZINC000053243686	221044676	/nfs/dbraw/zinc/04/46/76/221044676.db2.gz	HGOSXKUMUKYUKG-UHFFFAOYSA-N	-1	1	369.428	4.553	1	30		FJEFMM
CCC1=C(OC)C(CC)(CC)C(=O)C(=C([O-])C=Cc2ccccc2)C1=O	ZINC000102209475	222291966	/nfs/dbraw/zinc/29/19/66/222291966.db2.gz	LIBVLVGYQKULOW-BUHFOSPRSA-N	-1	1	354.446	4.781	1	30		FJEFMM
CCC1=C(OC)C(CC)(CC)C(=O)C(C(=O)C=Cc2ccccc2)=C1[O-]	ZINC000102209475	222291970	/nfs/dbraw/zinc/29/19/70/222291970.db2.gz	LIBVLVGYQKULOW-BUHFOSPRSA-N	-1	1	354.446	4.781	1	30		FJEFMM
O=C1c2c(cc([O-])cc2O)O/C1=C\c1c2ccccc2[nH]c1-c1ccccc1	ZINC000049068543	221018099	/nfs/dbraw/zinc/01/80/99/221018099.db2.gz	FDZLVAKABOAMEY-NDENLUEZSA-N	-1	1	369.376	4.862	1	30		FJEFMM
CCCCCCCCCCN1C(=O)C(=C(C)[O-])C(=O)[C@@H]1Cc1ccccc1	ZINC000101162444	222263764	/nfs/dbraw/zinc/26/37/64/222263764.db2.gz	YKICSIZYUCMFJB-HUZQBFDWSA-N	-1	1	371.521	4.982	1	30		FJEFMM
COC1=C(C)C(=O)C(C(=O)C=Cc2c(C)cc(C)cc2C)=C([O-])C1(C)C	ZINC000101083635	209220762	/nfs/dbraw/zinc/22/07/62/209220762.db2.gz	KUAJWAALNKEKQS-ZOWWZPNESA-N	-1	1	354.446	4.536	1	30		FJEFMM
COC1=C(C)C([O-])=C(C(=O)C=Cc2c(C)cc(C)cc2C)C(=O)C1(C)C	ZINC000101083635	209220764	/nfs/dbraw/zinc/22/07/64/209220764.db2.gz	KUAJWAALNKEKQS-ZOWWZPNESA-N	-1	1	354.446	4.536	1	30		FJEFMM
COC1=CC(=O)C([O-])=C(C[C@]2(C)[C@H](C)CC[C@]34C[C@@]3(C)CCC[C@H]42)C1=O	ZINC000096922380	209161315	/nfs/dbraw/zinc/16/13/15/209161315.db2.gz	YXTOOFYXMDFTGM-LQBNPYSMSA-N	-1	1	358.478	4.503	1	30		FJEFMM
O=C(C=Cc1ccc(C=C2SC(=O)[N-]C2=O)cc1)c1cccc(Cl)c1	ZINC000095578867	209082418	/nfs/dbraw/zinc/08/24/18/209082418.db2.gz	HWMGOBJMTSFTIK-OAXSMGAZSA-N	-1	1	369.829	4.560	1	30		FJEFMM