smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)c2cccc(C(=O)[O-])c2)cc1CCC(=O)[O-]	ZINC000026716879	202148250	/nfs/dbraw/zinc/14/82/50/202148250.db2.gz	ZIIXILKJCLAHFQ-UHFFFAOYSA-N	-2	0	328.320	2.642	1	0		EFAFRL
COc1cc(O)c(Oc2cc(C)cc(O)c2C(=O)[O-])c(C(=O)[O-])c1	ZINC000014618670	201057133	/nfs/dbraw/zinc/05/71/33/201057133.db2.gz	BMKJMWKTRHWAPN-UHFFFAOYSA-N	-2	0	334.280	2.604	1	0		EFAFRL
O=C([O-])/C(=C1/OCO/C1=C(/C(=O)[O-])c1ccccc1)c1ccccc1	ZINC000101599868	201058124	/nfs/dbraw/zinc/05/81/24/201058124.db2.gz	KEGGPAWMZOAQMC-YXLFCKQPSA-N	-2	0	338.315	2.983	1	0		EFAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(CC2CCCC2)s1	ZINC000066104037	215011336	/nfs/dbraw/zinc/01/13/36/215011336.db2.gz	SIRUPMFDLIMCFT-UHFFFAOYSA-N	-2	0	328.330	2.521	1	0		EFAFRL
Cc1c(/C=C2\C(=O)Nc3ccc(C(=O)[O-])cc32)[nH]cc1CCC(=O)[O-]	ZINC000003815565	210076331	/nfs/dbraw/zinc/07/63/31/210076331.db2.gz	PBQQBKGLQWKLKQ-QPEQYQDCSA-N	-2	0	340.335	2.531	1	0		EFAFRL
CC1(C)Cc2c(sc(NC(=O)C(=O)[O-])c2C(=O)[O-])C(C)(C)C1	ZINC000036088929	213062274	/nfs/dbraw/zinc/06/22/74/213062274.db2.gz	CSBSUSFJVLIYMQ-UHFFFAOYSA-N	-2	0	325.386	2.719	1	0		EFAFRL
COc1cc2oc3c(c([O-])c-2c(=O)c1OC)OCc1cccc([O-])c1-3	ZINC000014725557	290982325	/nfs/dbraw/zinc/98/23/25/290982325.db2.gz	QVHFICYAHDSZBK-UHFFFAOYSA-N	-2	0	342.303	2.781	1	0	biogenic,in-vitro	EFAFRL
C[C@@]1(CC(=O)[O-])c2[nH]c(=O)c([O-])nc2-c2cc(Cl)cc(Cl)c21	ZINC000013558302	581092607	/nfs/dbraw/zinc/09/26/07/581092607.db2.gz	GSONQSGOUMLFKL-AWEZNQCLSA-N	-2	0	341.150	2.956	1	0		EFAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(-c2ccc(F)cc2)s1	ZINC000066112056	215013903	/nfs/dbraw/zinc/01/39/03/215013903.db2.gz	GDKAYGMNZAKBDJ-UHFFFAOYSA-N	-2	0	340.272	2.594	1	0		EFAFRL
O=C([O-])CCCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1	ZINC000026574626	212526377	/nfs/dbraw/zinc/52/63/77/212526377.db2.gz	VCLPDRAKKDIBIT-LSDHHAIUSA-N	-2	0	333.384	2.923	1	0		EFAFRL
O=C([O-])COc1cc(NC(=O)c2ccc(Cl)cc2)cc(C(=O)[O-])c1	ZINC000029323056	212662245	/nfs/dbraw/zinc/66/22/45/212662245.db2.gz	PJDNUTKROTWBGA-UHFFFAOYSA-N	-2	0	349.726	2.754	1	0		EFAFRL
O=C([O-])CCc1c(=O)c2c(Cl)cc(Cl)cc2[nH]c1C(=O)[O-]	ZINC000027898237	202161433	/nfs/dbraw/zinc/16/14/33/202161433.db2.gz	XYIDXIDDFVADKI-UHFFFAOYSA-N	-2	0	330.123	2.550	1	0		EFAFRL
O=C([O-])c1c(CCO)c2ccccc2n1Cc1cccc(C(=O)[O-])c1	ZINC000064559243	202814805	/nfs/dbraw/zinc/81/48/05/202814805.db2.gz	RPRXIFUWBUBJGD-UHFFFAOYSA-N	-2	0	339.347	2.621	1	0		EFAFRL
C[C@]1(CC(=O)[O-])c2[nH]c(=O)c([O-])nc2-c2cc(Cl)cc(Cl)c21	ZINC000013558303	581092527	/nfs/dbraw/zinc/09/25/27/581092527.db2.gz	GSONQSGOUMLFKL-CQSZACIVSA-N	-2	0	341.150	2.956	1	0		EFAFRL
O=C([O-])CCCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1	ZINC000026574623	212526112	/nfs/dbraw/zinc/52/61/12/212526112.db2.gz	VCLPDRAKKDIBIT-GJZGRUSLSA-N	-2	0	333.384	2.923	1	0		EFAFRL
Cn1ccc2c1cccc2N(C(=O)C(=O)[O-])c1ccccc1C(=O)[O-]	ZINC000043024719	213553553	/nfs/dbraw/zinc/55/35/53/213553553.db2.gz	MFEDDJWUIYXSGU-UHFFFAOYSA-N	-2	0	338.319	2.626	1	0		EFAFRL
C[C@@]1(CC(=O)[O-])c2ccc(Cl)c(Cl)c2-c2nc([O-])c(=O)[nH]c21	ZINC000013558306	211579214	/nfs/dbraw/zinc/57/92/14/211579214.db2.gz	DXVPPGKVZOYOQR-CQSZACIVSA-N	-2	0	341.150	2.956	1	0		EFAFRL
O=C([O-])c1cc2n(n1)[C@H](C(=O)[O-])Nc1cc(Cl)c(Cl)cc1-2	ZINC000027325940	212553226	/nfs/dbraw/zinc/55/32/26/212553226.db2.gz	REFAWYPDVQAHKG-SNVBAGLBSA-N	-2	0	328.111	2.564	1	0		EFAFRL
O=C([O-])C[C@](O)(CSCc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758077	201914612	/nfs/dbraw/zinc/91/46/12/201914612.db2.gz	RMWYNHVVKOWEJK-LBPRGKRZSA-N	-2	0	339.196	2.517	1	0		EFAFRL
O=C([O-])C[C@@](O)(CSCc1ccc(Cl)cc1Cl)C(=O)[O-]	ZINC000013758076	211633212	/nfs/dbraw/zinc/63/32/12/211633212.db2.gz	RMWYNHVVKOWEJK-GFCCVEGCSA-N	-2	0	339.196	2.517	1	0		EFAFRL
Cc1nc(-n2[n-]c3c(c2=O)CCCC3)[nH]c(=O)c1Cc1ccccc1	ZINC000101749476	219161253	/nfs/dbraw/zinc/16/12/53/219161253.db2.gz	YBWRECZKQSFDCZ-UHFFFAOYSA-N	-2	0	336.395	2.852	1	0		EFAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(C2CCCCC2)s1	ZINC000066099559	215010662	/nfs/dbraw/zinc/01/06/62/215010662.db2.gz	NXOHBQGTWFSVPD-UHFFFAOYSA-N	-2	0	328.330	2.836	1	0		EFAFRL
Nc1nc(-c2ccc(P(=O)([O-])[O-])o2)c(-c2cccs2)s1	ZINC000066102095	215011957	/nfs/dbraw/zinc/01/19/57/215011957.db2.gz	BINNOYSQOCDCLB-UHFFFAOYSA-N	-2	0	328.311	2.517	1	0		EFAFRL