smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([C@H](c2ccccc2)C(C(=O)[O-])C(=O)O)c1	ZINC000584650022	348702110	/nfs/dbraw/zinc/70/21/10/348702110.db2.gz	JOHUWHKPFOTYQE-AWEZNQCLSA-N	-1	2	284.311	2.912	10	0		CFAELM
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000038058384	174068748	/nfs/dbraw/zinc/06/87/48/174068748.db2.gz	JSSXPWFTBLBHRO-UHFFFAOYSA-N	-1	2	297.357	2.556	10	0		CFAELM
Cc1ccc([C@H](C)NC(=O)c2cccc3[nH]nnc32)cc1F	ZINC000188359074	543061991	/nfs/dbraw/zinc/06/19/91/543061991.db2.gz	SXXSOTQVHQPPHF-JTQLQIEISA-N	-1	2	298.321	2.896	10	0		CFAELM
CC1=C(Br)C(=S)C(C(=O)[O-])S1	ZINC000034288884	171836156	/nfs/dbraw/zinc/83/61/56/171836156.db2.gz	LPFKLLYSNXUMBL-UHFFFAOYSA-N	-1	2	253.142	2.806	10	0		CFAELM
O=C(O)C[C@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000081957796	539784776	/nfs/dbraw/zinc/78/47/76/539784776.db2.gz	IAQHIBLUEJOQEX-LBPRGKRZSA-N	-1	2	258.273	2.558	10	0		CFAELM
O=C([O-])c1ccc(Cl)c(O)c1Br	ZINC000575675346	382784670	/nfs/dbraw/zinc/78/46/70/382784670.db2.gz	IJCDRGXPJGKLMW-UHFFFAOYSA-N	-1	2	251.463	2.506	10	0		CFAELM
O=C([O-])C1(C(=O)O)C=CC(/C=C\c2ccccc2)=CC1	ZINC000083436333	178450014	/nfs/dbraw/zinc/45/00/14/178450014.db2.gz	DZFAKQZRZPHYLG-SREVYHEPSA-N	-1	2	270.284	2.742	10	0		CFAELM
Cc1cccc([C@@H](c2ccccc2)C(C(=O)[O-])C(=O)O)c1	ZINC000584650023	348701911	/nfs/dbraw/zinc/70/19/11/348701911.db2.gz	JOHUWHKPFOTYQE-CQSZACIVSA-N	-1	2	284.311	2.912	10	0		CFAELM
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)[O-])s1	ZINC000038058446	174069011	/nfs/dbraw/zinc/06/90/11/174069011.db2.gz	VADXXNRZMIZKRG-UHFFFAOYSA-N	-1	2	297.357	2.556	10	0		CFAELM
O=C(O)C[C@@H](Cc1cccc2ccccc21)C(=O)[O-]	ZINC000034329328	541408001	/nfs/dbraw/zinc/40/80/01/541408001.db2.gz	IAQHIBLUEJOQEX-GFCCVEGCSA-N	-1	2	258.273	2.558	10	0		CFAELM
O=C([O-])c1ccccc1C(=O)c1ccc(O)c(Cl)c1	ZINC000169584634	379107886	/nfs/dbraw/zinc/10/78/86/379107886.db2.gz	FPJUDNXOKUYQNQ-UHFFFAOYSA-N	-1	2	276.675	2.975	10	0		CFAELM
CC(C)(CCc1ccc(S)cc1)C(=O)C(=O)[O-]	ZINC000584660732	348702978	/nfs/dbraw/zinc/70/29/78/348702978.db2.gz	AFJANFBOJZDGNF-UHFFFAOYSA-N	-1	2	252.335	2.588	10	0		CFAELM
C#CCC(Cc1ccc2ccccc2c1)(C(=O)[O-])C(=O)O	ZINC000137150313	347912332	/nfs/dbraw/zinc/91/23/32/347912332.db2.gz	IMBDWOQCIFNDEE-UHFFFAOYSA-N	-1	2	282.295	2.561	10	0		CFAELM
O=C([O-])C(=O)C=C(O)c1cccc(Cc2ccccc2)c1	ZINC000028224774	372360584	/nfs/dbraw/zinc/36/05/84/372360584.db2.gz	HKIPZTAZTLJESD-UHFFFAOYSA-N	-1	2	282.295	2.504	10	0		CFAELM
C#CCC(CCCCc1ccccc1)(C(=O)[O-])C(=O)O	ZINC000137327949	347913424	/nfs/dbraw/zinc/91/34/24/347913424.db2.gz	NXMGXJGSWNYOEN-UHFFFAOYSA-N	-1	2	274.316	2.578	10	0		CFAELM
O=C([O-])c1c(Nc2ccccc2)cccc1C(=O)O	ZINC000059132097	346655861	/nfs/dbraw/zinc/65/58/61/346655861.db2.gz	PBUWCVBYMDVPCL-UHFFFAOYSA-N	-1	2	257.245	2.827	10	0		CFAELM
Cc1ccc(Oc2ccccc2[P@@](=O)([O-])O)cc1	ZINC000584650590	348701895	/nfs/dbraw/zinc/70/18/95/348701895.db2.gz	VXDLJPDLUHJNCD-UHFFFAOYSA-N	-1	2	264.217	2.590	10	0		CFAELM
Cc1ccc(Oc2ccccc2[P@](=O)([O-])O)cc1	ZINC000584650590	348701897	/nfs/dbraw/zinc/70/18/97/348701897.db2.gz	VXDLJPDLUHJNCD-UHFFFAOYSA-N	-1	2	264.217	2.590	10	0		CFAELM
O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])c(O)c2)cc1	ZINC000118824966	347798984	/nfs/dbraw/zinc/79/89/84/347798984.db2.gz	FEWLQEHDQSJYAI-UHFFFAOYSA-N	-1	2	259.217	2.666	10	0		CFAELM
CCC[C@H](C)CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1	ZINC000262230436	283807311	/nfs/dbraw/zinc/80/73/11/283807311.db2.gz	KFCBFRSSTFTZBU-IVZWLZJFSA-N	-1	2	295.301	2.534	10	0		CFAELM
O=C([O-])c1ccc2[nH]c(C3CC4C=CC3C4)nc2c1	ZINC000067788077	304254532	/nfs/dbraw/zinc/25/45/32/304254532.db2.gz	GPCHOYPRXHAIBE-IQJOONFLSA-N	-1	2	254.289	2.941	10	0		CFAELM
Clc1nc2c(ncnc2NCc2ccccc2)[nH]1	ZINC000149985625	347954070	/nfs/dbraw/zinc/95/40/70/347954070.db2.gz	UOOMJRNANWYGPZ-UHFFFAOYSA-N	-1	2	259.700	2.618	10	0		CFAELM
Cc1ccc(Oc2cc(C)ccc2[P@@](=O)([O-])O)cc1	ZINC000001642180	371690383	/nfs/dbraw/zinc/69/03/83/371690383.db2.gz	CSAQEFCFLZAGST-UHFFFAOYSA-N	-1	2	278.244	2.899	10	0		CFAELM
Cc1ccc(Oc2cc(C)ccc2[P@](=O)([O-])O)cc1	ZINC000001642180	371690386	/nfs/dbraw/zinc/69/03/86/371690386.db2.gz	CSAQEFCFLZAGST-UHFFFAOYSA-N	-1	2	278.244	2.899	10	0		CFAELM
O=C([O-])C(Cc1ccc(-c2ccccc2)cc1)C(=O)O	ZINC000002505517	346206955	/nfs/dbraw/zinc/20/69/55/346206955.db2.gz	AGBVYXSPMCGAKQ-UHFFFAOYSA-N	-1	2	270.284	2.682	10	0		CFAELM
O=[P@@]([O-])(O)OC(c1ccccc1)c1ccccc1	ZINC000114222195	347770495	/nfs/dbraw/zinc/77/04/95/347770495.db2.gz	IZDFRICNRCPQQZ-UHFFFAOYSA-N	-1	2	264.217	2.885	10	0		CFAELM
O=[P@]([O-])(O)OC(c1ccccc1)c1ccccc1	ZINC000114222195	347770499	/nfs/dbraw/zinc/77/04/99/347770499.db2.gz	IZDFRICNRCPQQZ-UHFFFAOYSA-N	-1	2	264.217	2.885	10	0		CFAELM
COc1ccc(Nc2cccc(C(=O)O)c2C(=O)[O-])cc1	ZINC000117652030	347793430	/nfs/dbraw/zinc/79/34/30/347793430.db2.gz	QLHNVOICBPBMDS-UHFFFAOYSA-N	-1	2	287.271	2.835	10	0		CFAELM
O=C(c1ccc(F)cc1[O-])c1c(O)cccc1F	ZINC000584609029	348688957	/nfs/dbraw/zinc/68/89/57/348688957.db2.gz	AKWXMRXTMKAVAZ-UHFFFAOYSA-N	-1	2	250.200	2.607	10	0		CFAELM
O=C([O-])C(=O)C=C(O)c1ccc(-c2ccccc2)cc1	ZINC000028221410	372361169	/nfs/dbraw/zinc/36/11/69/372361169.db2.gz	OCTADEKBEAHCGJ-UHFFFAOYSA-N	-1	2	268.268	2.580	10	0		CFAELM
CCC1CCC(NC(=O)c2cccc3[nH]nnc32)CC1	ZINC000189788820	543070674	/nfs/dbraw/zinc/07/06/74/543070674.db2.gz	YFARKHBGIZHHRH-UHFFFAOYSA-N	-1	2	272.352	2.657	10	0		CFAELM
O=C([O-])Cc1c(O)ccc2c(=O)cc(-c3ccccc3)oc21	ZINC000198247802	397613579	/nfs/dbraw/zinc/61/35/79/397613579.db2.gz	PJPFQCODEXOBHF-UHFFFAOYSA-N	-1	2	296.278	2.793	10	0		CFAELM
CC#CCC(C/C=C/c1ccccc1)(C(=O)[O-])C(=O)O	ZINC000038352157	346338963	/nfs/dbraw/zinc/33/89/63/346338963.db2.gz	FPPLNTWRLLIWNR-JXMROGBWSA-N	-1	2	272.300	2.659	10	0		CFAELM
COc1cccc(Nc2cccc(C(=O)O)c2C(=O)[O-])c1	ZINC000117648963	347793074	/nfs/dbraw/zinc/79/30/74/347793074.db2.gz	BFEUZVRVMWNXEL-UHFFFAOYSA-N	-1	2	287.271	2.835	10	0		CFAELM
Cc1ccc([C@@H](C)NC(=O)c2cccc3[nH]nnc32)cc1F	ZINC000188359048	543061892	/nfs/dbraw/zinc/06/18/92/543061892.db2.gz	SXXSOTQVHQPPHF-SNVBAGLBSA-N	-1	2	298.321	2.896	10	0		CFAELM
COc1ccccc1Nc1cccc(C(=O)O)c1C(=O)[O-]	ZINC000117647927	347793350	/nfs/dbraw/zinc/79/33/50/347793350.db2.gz	YVBSKUVGPPODBM-UHFFFAOYSA-N	-1	2	287.271	2.835	10	0		CFAELM
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1	ZINC000038058379	174068660	/nfs/dbraw/zinc/06/86/60/174068660.db2.gz	XFEXTEGUSGNOFW-UHFFFAOYSA-N	-1	2	297.357	2.556	10	0		CFAELM
C#CCC(Cc1cccc2ccccc21)(C(=O)[O-])C(=O)O	ZINC000078976214	347282498	/nfs/dbraw/zinc/28/24/98/347282498.db2.gz	XOZIZTKQQBROLK-UHFFFAOYSA-N	-1	2	282.295	2.561	10	0		CFAELM
O=[P@@]([O-])(O)Oc1ccc(-c2ccccc2)cc1	ZINC000034237082	372506531	/nfs/dbraw/zinc/50/65/31/372506531.db2.gz	HCMDALUSRXPQDD-UHFFFAOYSA-N	-1	2	250.190	2.825	10	0		CFAELM
O=[P@]([O-])(O)Oc1ccc(-c2ccccc2)cc1	ZINC000034237082	372506539	/nfs/dbraw/zinc/50/65/39/372506539.db2.gz	HCMDALUSRXPQDD-UHFFFAOYSA-N	-1	2	250.190	2.825	10	0		CFAELM
O=C(c1ccc(F)cc1[O-])c1ccc(F)cc1O	ZINC000584599901	348685023	/nfs/dbraw/zinc/68/50/23/348685023.db2.gz	XBHADOMRAJDRRF-UHFFFAOYSA-N	-1	2	250.200	2.607	10	0		CFAELM
O=C([O-])C(=O)C=C(O)c1ccc(C2CCCCC2)cc1	ZINC000013493869	372030616	/nfs/dbraw/zinc/03/06/16/372030616.db2.gz	OYJDENWYBFBARN-UHFFFAOYSA-N	-1	2	274.316	2.961	10	0		CFAELM
O=C([O-])c1oc2cc(O)cc(O)c2c(=O)c1-c1ccccc1	ZINC000005947912	170161218	/nfs/dbraw/zinc/16/12/18/170161218.db2.gz	SFMWMHANAIASAR-UHFFFAOYSA-N	-1	2	298.250	2.569	10	0		CFAELM
C#CCC(CCCCCCCC)(C(=O)[O-])C(=O)O	ZINC000137281787	347913016	/nfs/dbraw/zinc/91/30/16/347913016.db2.gz	LMUVQAJMSFNCKR-UHFFFAOYSA-N	-1	2	254.326	2.916	10	0		CFAELM