smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1[nH+]c2ccccc2n1Cc1ccc(-c2ccccc2C(=O)[O-])cc1	ZINC000000591937	219304872	/nfs/dbraw/zinc/30/48/72/219304872.db2.gz	KZUDZUZMYZXWMG-UHFFFAOYSA-N	0	2	370.452	5.402	1	0		FKAFLN
C/C=C(\C)c1cc(O)c(C)c2c1Oc1cc(O)c(Cl)c(C)c1C(=O)O2	ZINC000001618035	210179759	/nfs/dbraw/zinc/17/97/59/210179759.db2.gz	KZPINWADEGOBQG-VMPITWQZSA-N	0	2	360.793	5.116	1	0		FKAFLN
CC(C)=CCC/C(C)=C/Cc1c(O)cc(O)c(C(=O)c2ccccc2)c1O	ZINC000003596266	560189031	/nfs/dbraw/zinc/18/90/31/560189031.db2.gz	ZAIQNYMNZNXUAF-FOWTUZBSSA-N	0	2	366.457	5.270	1	0	in-vitro	FKAFLN
CCOc1ccccc1/C=C/c1ccc2c(Cl)cc(Cl)c(O)c2n1	ZINC000006339007	204244450	/nfs/dbraw/zinc/24/44/50/204244450.db2.gz	RBWPWFRMJICRQV-BQYQJAHWSA-N	0	2	360.240	5.816	1	0		FKAFLN
CC(/C=C/C1=C(C)[C@@H](n2cc[nH+]c2)CCC1(C)C)=C\C=C\C(C)=C/C(=O)[O-]	ZINC000013586656	211040430	/nfs/dbraw/zinc/04/04/30/211040430.db2.gz	MRFBVQCSZMKBFY-MNMSMGJBSA-N	0	2	366.505	5.650	1	0		FKAFLN
CCc1csc2[nH]c(=O)c(-c3cccc(Oc4ccccc4)c3)c(O)c12	ZINC000013680036	220084907	/nfs/dbraw/zinc/08/49/07/220084907.db2.gz	CYZKLLHNZJNLSB-UHFFFAOYSA-N	0	2	363.438	5.317	1	0		FKAFLN
CC(C)=CCc1c(O)c(CC=C(C)C)c(O)c(C(=O)c2ccccc2)c1O	ZINC000014780686	291087024	/nfs/dbraw/zinc/08/70/24/291087024.db2.gz	DGDGUAUJFQUJRX-UHFFFAOYSA-N	0	2	366.457	5.052	1	0	biogenic,in-vitro	FKAFLN
CC(C)c1ccccc1Sc1c(O)cc(-c2cccc(Cl)c2)oc1=O	ZINC000036124546	205007619	/nfs/dbraw/zinc/00/76/19/205007619.db2.gz	SKZIETYYFMFBNM-UHFFFAOYSA-N	0	2	372.873	5.940	1	0		FKAFLN
CC(C)c1ccccc1Sc1c(O)cc(-c2ccc(Cl)cc2)oc1=O	ZINC000036124549	208150556	/nfs/dbraw/zinc/15/05/56/208150556.db2.gz	WLWNCMJSZYJCCF-UHFFFAOYSA-N	0	2	372.873	5.940	1	0		FKAFLN
CC(C)c1ccccc1Sc1c(O)cc(-c2ccccc2Cl)oc1=O	ZINC000036124581	208150569	/nfs/dbraw/zinc/15/05/69/208150569.db2.gz	YXWCXRVLEUDATR-UHFFFAOYSA-N	0	2	372.873	5.940	1	0		FKAFLN
CC(/C=C/C1=C(C)[C@H](n2cc[nH+]c2)CCC1(C)C)=C\C=C\C(C)=C\C(=O)[O-]	ZINC000040434388	208254326	/nfs/dbraw/zinc/25/43/26/208254326.db2.gz	MRFBVQCSZMKBFY-ATQVGMDSSA-N	0	2	366.505	5.650	1	0	in-vivo	FKAFLN
O=c1oc2ccc3c(c2c(O)c1Cc1cccc2ccccc21)CCCC3	ZINC000045257930	208329633	/nfs/dbraw/zinc/32/96/33/208329633.db2.gz	RTNKJVPYENADGO-UHFFFAOYSA-N	0	2	356.421	5.121	1	0		FKAFLN
O=c1oc2c(ccc3c2CCCC3)c(O)c1Cc1cccc2ccccc21	ZINC000045261496	205119096	/nfs/dbraw/zinc/11/90/96/205119096.db2.gz	QBNGRDQEQKAJRX-UHFFFAOYSA-N	0	2	356.421	5.121	1	0		FKAFLN
O=C([O-])c1cc(-c2cccc(Cl)c2Cl)c[nH+]c1N1CCCCCC1	ZINC000045285337	208329699	/nfs/dbraw/zinc/32/96/99/208329699.db2.gz	INLYRLVAMGTAHS-UHFFFAOYSA-N	0	2	365.260	5.134	1	0		FKAFLN
O=c1oc2ccc3c(c2c(O)c1Cc1ccc2ccccc2c1)CCCC3	ZINC000045290875	208329481	/nfs/dbraw/zinc/32/94/81/208329481.db2.gz	PTINTNGGKFMJLC-UHFFFAOYSA-N	0	2	356.421	5.121	1	0		FKAFLN
Oc1sc(Nc2cccc(C(F)(F)F)c2)nc2c3ccccc3nc1-2	ZINC000101474336	222276211	/nfs/dbraw/zinc/27/62/11/222276211.db2.gz	IQKMRAUGVULWEE-UHFFFAOYSA-N	0	2	361.348	5.264	1	0		FKAFLN
Oc1sc(Nc2ccc(Br)cc2)nc2c3ccccc3nc1-2	ZINC000101494526	222276633	/nfs/dbraw/zinc/27/66/33/222276633.db2.gz	JJDVFHAITIXRFR-UHFFFAOYSA-N	0	2	372.247	5.008	1	0		FKAFLN