smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1ccc([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2[O-])c(C)c1	ZINC000040406595	205064538	/nfs/dbraw/zinc/06/45/38/205064538.db2.gz	BSHIXXSESCYHQK-MRXNPFEDSA-N	-2	3	389.835	3.824	1	0		GHAFHL
COC(=O)c1cccc([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2[O-])c1C	ZINC000040893725	205074720	/nfs/dbraw/zinc/07/47/20/205074720.db2.gz	JZVUOYSFDSGCRJ-INIZCTEOSA-N	-2	3	389.835	3.824	1	0		GHAFHL
O=C([O-])c1cccc2oc(-c3cccc([O-])c3NC(=O)c3ccccc3[O-])nc21	ZINC000040874438	205074334	/nfs/dbraw/zinc/07/43/34/205074334.db2.gz	WFSYNTNVXAAPDD-UHFFFAOYSA-N	-3	3	390.351	3.857	1	0		GHAFHL
O=C([O-])c1cccc2oc(-c3cccc(O)c3NC(=O)c3ccccc3[O-])nc21	ZINC000040874438	205074337	/nfs/dbraw/zinc/07/43/37/205074337.db2.gz	WFSYNTNVXAAPDD-UHFFFAOYSA-N	-2	3	390.351	3.857	1	0		GHAFHL
O=C([O-])c1cccc2oc(-c3cccc([O-])c3NC(=O)c3ncccc3F)nc21	ZINC000040395548	205064599	/nfs/dbraw/zinc/06/45/99/205064599.db2.gz	ITQQKVPQACKICU-UHFFFAOYSA-N	-2	3	393.330	3.685	1	0		GHAFHL
CC(C)[C@]1(c2cc(Cl)c(-c3ccc4ccccc4c3)[n-]c2=O)OC(=O)[N-]C1=O	ZINC000071341860	205283675	/nfs/dbraw/zinc/28/36/75/205283675.db2.gz	XOGLUALLZWNNSG-OAQYLSRUSA-N	-2	3	396.830	3.966	1	0		GHAFHL
COC(=O)c1ccc(C)c([C@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2[O-])c1	ZINC000040898804	205074095	/nfs/dbraw/zinc/07/40/95/205074095.db2.gz	ZAOOCMXXGQFBQR-MRXNPFEDSA-N	-2	3	389.835	3.824	1	0		GHAFHL
O=c1c(O)c(-c2ccc([O-])cc2)oc2cc([O-])cc(OCCC3(O)CCCC3)c12	ZINC000085569502	291134646	/nfs/dbraw/zinc/13/46/46/291134646.db2.gz	WAKPNAAVRSQKFR-UHFFFAOYSA-N	-2	3	398.411	3.651	1	0	biogenic,in-vitro	GHAFHL
Cc1occ(-c2c([O-])cc3oc(-c4ccccc4)cc(=O)c3c2[O-])c(=O)c1[O-]	ZINC000095486324	291133752	/nfs/dbraw/zinc/13/37/52/291133752.db2.gz	JOIFFCDJRAJYJI-UHFFFAOYSA-N	-3	3	378.336	3.505	1	0	biogenic,in-vitro	GHAFHL
COC(=O)c1ccc(C)c([C@@H]2CCCN2C(=O)c2cc(Cl)c([O-])cc2[O-])c1	ZINC000040898802	205074295	/nfs/dbraw/zinc/07/42/95/205074295.db2.gz	ZAOOCMXXGQFBQR-INIZCTEOSA-N	-2	3	389.835	3.824	1	0		GHAFHL
CCCC(=O)N(Cc1ccc(C(=O)[O-])cc1OC)c1ccc(C(C)=O)c([O-])c1	ZINC000027895441	204862665	/nfs/dbraw/zinc/86/26/65/204862665.db2.gz	CCOOYELXXXOLLI-UHFFFAOYSA-N	-2	3	385.416	3.635	1	0		GHAFHL
O=C(c1cc(=O)c2cc([O-])ccc2[n-]1)N1CCC(Oc2ccc(Cl)cc2)CC1	ZINC000028817943	207347671	/nfs/dbraw/zinc/34/76/71/207347671.db2.gz	SFVDRVNMUZDDKU-UHFFFAOYSA-N	-2	3	398.846	3.571	1	0		GHAFHL
O=S(=O)([N-]c1cc([O-])cc2cccnc21)c1ccc(Br)s1	ZINC000013815799	207000977	/nfs/dbraw/zinc/00/09/77/207000977.db2.gz	AXCGZYGVGWLASK-UHFFFAOYSA-N	-2	3	385.264	3.565	1	0		GHAFHL
Cc1cc(Cl)cc2c1S(=O)(=O)[N-]C(=C([O-])c1ccc(Cl)cc1)S2	ZINC000040378977	210785183	/nfs/dbraw/zinc/78/51/83/210785183.db2.gz	OCSDHEOJKJQNEH-HNNXBMFYSA-N	-2	3	388.297	3.895	1	0		GHAFHL
COc1cc2oc(-c3ccccc3)cc(=O)c2c([O-])c1-c1coc(C)c([O-])c1=O	ZINC000014441502	291133258	/nfs/dbraw/zinc/13/32/58/291133258.db2.gz	HYUWNBOIDCNLJZ-UHFFFAOYSA-N	-2	3	392.363	3.808	1	0	biogenic,in-vitro	GHAFHL
COc1cc(Oc2c([O-])c(C)c(OC)c(C(C)=O)c2[O-])c(C(C)=O)c(O)c1C	ZINC000001629867	209190913	/nfs/dbraw/zinc/19/09/13/209190913.db2.gz	QNCHFYWKVGDPCD-UHFFFAOYSA-N	-2	3	390.388	3.635	1	0		GHAFHL
CC(C)=CCc1c([O-])c2c(c(C(=O)c3ccccc3)c1[O-])O[C@@H](C(C)(C)O)C2	ZINC000014883272	291131109	/nfs/dbraw/zinc/13/11/09/291131109.db2.gz	WJJRDCKWHJDYTN-QGZVFWFLSA-N	-2	3	382.456	3.912	1	0	biogenic,in-vitro	GHAFHL
CC(C)=CCc1c([O-])c2c(c(C(=O)c3ccccc3)c1[O-])OC(C)(C)[C@H](O)C2	ZINC000085949816	291131122	/nfs/dbraw/zinc/13/11/22/291131122.db2.gz	FMFKVIPIJGRQEB-QGZVFWFLSA-N	-2	3	382.456	3.912	1	0	biogenic,in-vitro	GHAFHL
O=c1c(O)c(-c2ccc([O-])cc2)oc2cc([O-])cc(OCc3cccc(O)c3)c12	ZINC000085569519	291134618	/nfs/dbraw/zinc/13/46/18/291134618.db2.gz	CLSJRFXYTOUZCO-UHFFFAOYSA-N	-2	3	392.363	3.861	1	0	biogenic,in-vitro	GHAFHL
CC(C)c1ccccc1NC(=O)c1cc(=O)c2cccc([N-]S(C)(=O)=O)c2[n-]1	ZINC000095588581	211279861	/nfs/dbraw/zinc/27/98/61/211279861.db2.gz	JTWSGOHBLGCNBU-UHFFFAOYSA-N	-2	3	399.472	3.688	1	0		GHAFHL
CC(C)=CCc1c2c(c([O-])c(C(=O)c3ccccc3)c1[O-])C[C@@H](C(C)(C)O)O2	ZINC000014883266	291131192	/nfs/dbraw/zinc/13/11/92/291131192.db2.gz	CPSYTNBTYGUYDI-KRWDZBQOSA-N	-2	3	382.456	3.912	1	0	biogenic,in-vitro	GHAFHL
CCC(=O)c1c([O-])n(O)c2cc(NC(=O)Nc3cccc(C(=O)[O-])c3)ccc21	ZINC000013493898	210064404	/nfs/dbraw/zinc/06/44/04/210064404.db2.gz	QDLBIAXQKXJDGG-UHFFFAOYSA-N	-2	3	383.360	3.519	1	0		GHAFHL
COc1cc(-c2coc3cc([O-])cc([O-])c3c2=O)c2c(c1O)OC(C)(C)C=C2	ZINC000014658562	212149227	/nfs/dbraw/zinc/14/92/27/212149227.db2.gz	WHEMTMQWUKJLIV-UHFFFAOYSA-N	-2	3	382.368	3.770	1	0		GHAFHL
CC(C)=CCc1c2c(c([O-])c(C(=O)c3ccccc3)c1[O-])C[C@H](C(C)(C)O)O2	ZINC000014883268	291131069	/nfs/dbraw/zinc/13/10/69/291131069.db2.gz	CPSYTNBTYGUYDI-QGZVFWFLSA-N	-2	3	382.456	3.912	1	0	biogenic,in-vitro	GHAFHL
CC(C)[C@@]1(c2cc(Cl)c(-c3ccc4ccccc4c3)[n-]c2=O)OC(=O)[N-]C1=O	ZINC000071341859	222184104	/nfs/dbraw/zinc/18/41/04/222184104.db2.gz	XOGLUALLZWNNSG-NRFANRHFSA-N	-2	3	396.830	3.966	1	0		GHAFHL
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(O)c4)c3[O-])cc2n1	ZINC000014953820	221320972	/nfs/dbraw/zinc/32/09/72/221320972.db2.gz	JCGSRQUEPXWCMM-UHFFFAOYSA-N	-2	3	375.384	3.517	1	0		GHAFHL