smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])C(CCCCc1ccccc1)C(=O)O	ZINC000038284516	368324947	/nfs/dbraw/zinc/32/49/47/368324947.db2.gz	AOLLKFZZINSFPC-UHFFFAOYSA-N	-1	2	236.267	2.185	40	0		BEABLM
CCCCCC[C@@H](CC(=O)O)C(=O)[O-]	ZINC000002566748	388564526	/nfs/dbraw/zinc/56/45/26/388564526.db2.gz	ZJVMHPVIAUKERS-QMMMGPOBSA-N	-1	2	202.250	2.132	40	0	biogenic,in-vitro	BEABLM
Cc1nc(NC2N=CC([O-])=N2)nc2ccccc12	ZINC000408990821	346359208	/nfs/dbraw/zinc/35/92/08/346359208.db2.gz	WRAROTYOUWBTIR-UHFFFAOYSA-N	-1	2	241.254	2.111	40	0		BEABLM
Cc1[nH+]c([N-]C2N=CC([O-])=N2)nc2ccccc12	ZINC000408990821	346359210	/nfs/dbraw/zinc/35/92/10/346359210.db2.gz	WRAROTYOUWBTIR-UHFFFAOYSA-N	-1	2	241.254	2.111	40	0		BEABLM
CC(C)c1ccc([C@H](CC(=O)O)C(=O)[O-])cc1	ZINC000041268947	358747610	/nfs/dbraw/zinc/74/76/10/358747610.db2.gz	RKVKEZGFRSYYFO-NSHDSACASA-N	-1	2	236.267	2.453	40	0		BEABLM
O=[P@@]([O-])(O)OCCCCc1ccccc1	ZINC000034414894	368324101	/nfs/dbraw/zinc/32/41/01/368324101.db2.gz	OQRFPWGGXCXBHY-UHFFFAOYSA-N	-1	2	230.200	2.119	40	0		BEABLM
O=[P@]([O-])(O)OCCCCc1ccccc1	ZINC000034414894	368324106	/nfs/dbraw/zinc/32/41/06/368324106.db2.gz	OQRFPWGGXCXBHY-UHFFFAOYSA-N	-1	2	230.200	2.119	40	0		BEABLM
O=C([O-])CCCC(=O)Nc1ccccc1S	ZINC000004593062	384988746	/nfs/dbraw/zinc/98/87/46/384988746.db2.gz	OCAKGGQZEDXUCO-UHFFFAOYSA-N	-1	2	239.296	2.169	40	0		BEABLM
CCCCCC[C@H](CC(=O)O)C(=O)[O-]	ZINC000003199210	388368965	/nfs/dbraw/zinc/36/89/65/388368965.db2.gz	ZJVMHPVIAUKERS-MRVPVSSYSA-N	-1	2	202.250	2.132	40	0	biogenic,in-vitro	BEABLM
O=[P@@]([O-])(O)OC12CC3CC(CC(C3)C1)C2	ZINC000004530637	384066270	/nfs/dbraw/zinc/06/62/70/384066270.db2.gz	QVQOTPZLFNCCIR-UHFFFAOYSA-N	-1	2	232.216	2.065	40	0		BEABLM
O=[P@]([O-])(O)OC12CC3CC(CC(C3)C1)C2	ZINC000004530637	384066276	/nfs/dbraw/zinc/06/62/76/384066276.db2.gz	QVQOTPZLFNCCIR-UHFFFAOYSA-N	-1	2	232.216	2.065	40	0		BEABLM
O=C([O-])c1cc(-c2ccccc2)cc(C(=O)[O-])[nH+]1	ZINC000039311031	343388452	/nfs/dbraw/zinc/38/84/52/343388452.db2.gz	VHENPTPXTMAFOQ-UHFFFAOYSA-N	-1	2	243.218	2.145	40	0		BEABLM
CCOc1ccc2c(=O)cc(O)[nH]c2c1	ZINC000257197489	370682073	/nfs/dbraw/zinc/68/20/73/370682073.db2.gz	AXGWCBNCZCEALK-UHFFFAOYSA-N	-1	2	205.213	2.045	40	0		BEABLM
CC(C)c1ccc([C@@H](CC(=O)O)C(=O)[O-])cc1	ZINC000041268943	358748331	/nfs/dbraw/zinc/74/83/31/358748331.db2.gz	RKVKEZGFRSYYFO-LLVKDONJSA-N	-1	2	236.267	2.453	40	0		BEABLM
FC(F)(F)c1nc(S)cc(=S)[n-]1	ZINC000006452784	188102542	/nfs/dbraw/zinc/10/25/42/188102542.db2.gz	IFUZIPNSKJEEMD-UHFFFAOYSA-N	-1	2	212.221	2.447	40	0		BEABLM
O=[S@@]([O-])c1cc(Cl)c(O)c(Cl)c1	ZINC000005812599	342770333	/nfs/dbraw/zinc/77/03/33/342770333.db2.gz	XNBXXDJLLSQLKA-UHFFFAOYSA-N	-1	2	227.068	2.280	40	0		BEABLM
O=C([O-])c1ccc(Cl)c(O)c1Cl	ZINC000095101165	188222664	/nfs/dbraw/zinc/22/26/64/188222664.db2.gz	PWYTVCDAONKNGR-UHFFFAOYSA-N	-1	2	207.012	2.397	40	0		BEABLM
O=C(O)/C=C(/CCC1CCCCC1)C(=O)[O-]	ZINC000005413308	384114944	/nfs/dbraw/zinc/11/49/44/384114944.db2.gz	QTBWCJKDRVFXFZ-NTMALXAHSA-N	-1	2	226.272	2.443	40	0		BEABLM
CC(C)c1ccccc1O[P@@](=O)([O-])O	ZINC000064033417	398040025	/nfs/dbraw/zinc/04/00/25/398040025.db2.gz	UETPRJJVZPVPQI-UHFFFAOYSA-N	-1	2	216.173	2.282	40	0		BEABLM
CC(C)c1ccccc1O[P@](=O)([O-])O	ZINC000064033417	398040028	/nfs/dbraw/zinc/04/00/28/398040028.db2.gz	UETPRJJVZPVPQI-UHFFFAOYSA-N	-1	2	216.173	2.282	40	0		BEABLM