smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C[C@@H](CO)Nc1cc([S-])cc([S-])c1	ZINC001169784639	969858167	/nfs/dbraw/zinc/85/81/67/969858167.db2.gz	PEXQERORKVXNPB-ZETCQYMHSA-N	-2	0	227.354	2.223	20	30		BEEDRL
C=C[C@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234339661	978822551	/nfs/dbraw/zinc/82/25/51/978822551.db2.gz	RGVHEWRRYUOBKB-QMMMGPOBSA-N	-2	0	244.183	2.111	20	30		BEEDRL
Cc1cc(=O)[n-]c(O[C@@H](C)C2=CC=C[CH]2)c1C#N	ZINC001226222869	974831743	/nfs/dbraw/zinc/83/17/43/974831743.db2.gz	JCUUGJAAVHHRRH-JTQLQIEISA-N	-2	0	241.270	2.435	20	30		BEEDRL
CCCCN(O)C(=O)c1c([O-])cc(F)cc1F	ZINC000904208666	584847417	/nfs/dbraw/zinc/84/74/17/584847417.db2.gz	FZKLWOGCNVNPLB-UHFFFAOYSA-N	-2	0	245.225	2.302	20	30		BEEDRL
C[C@@H](Oc1[n-]c(=O)ccc1C#N)C1=CC=C[CH]1	ZINC001228903529	976572529	/nfs/dbraw/zinc/57/25/29/976572529.db2.gz	YMEJTRIJJDXORP-SECBINFHSA-N	-2	0	227.243	2.127	20	30		BEEDRL
Cc1cc(=O)[n-]c(O[C@H](C)C2=CC=C[CH]2)c1C#N	ZINC001226222870	974831753	/nfs/dbraw/zinc/83/17/53/974831753.db2.gz	JCUUGJAAVHHRRH-SNVBAGLBSA-N	-2	0	241.270	2.435	20	30		BEEDRL
C=CCC(CC=C)OCCCC[P@](=O)([O-])O	ZINC001225023543	974148715	/nfs/dbraw/zinc/14/87/15/974148715.db2.gz	XUYCXPKEQKCHOA-UHFFFAOYSA-N	-2	0	248.259	2.482	20	30		BEEDRL
C=C[C@@H](C)Oc1ccc(OP(=O)([O-])[O-])cc1	ZINC001234339657	978823161	/nfs/dbraw/zinc/82/31/61/978823161.db2.gz	RGVHEWRRYUOBKB-MRVPVSSYSA-N	-2	0	244.183	2.111	20	30		BEEDRL
C[C@@H](Oc1[n-]c(=O)c(F)cc1C#N)C1=CC=C[CH]1	ZINC001226007919	974761609	/nfs/dbraw/zinc/76/16/09/974761609.db2.gz	BMCRRJICZJNPLH-MRVPVSSYSA-N	-2	0	245.233	2.266	20	30		BEEDRL
C=C(C)Cc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001250241360	980374184	/nfs/dbraw/zinc/37/41/84/980374184.db2.gz	OYTKHXPCECSPFF-UHFFFAOYSA-N	-2	0	220.224	2.202	20	30		BEEDRL
N#CCCCCc1cc(C(=O)[O-])cc(C(=O)[O-])c1	ZINC001250064971	967330586	/nfs/dbraw/zinc/33/05/86/967330586.db2.gz	CFBWNBCOTZQSBK-UHFFFAOYSA-N	-2	0	247.250	2.319	20	30		BEEDRL
C[C@H](Oc1[n-]c(=O)ccc1C#N)C1=CC=C[CH]1	ZINC001228903531	976574072	/nfs/dbraw/zinc/57/40/72/976574072.db2.gz	YMEJTRIJJDXORP-VIFPVBQESA-N	-2	0	227.243	2.127	20	30		BEEDRL
C=C(C)c1c(C(=O)[O-])cccc1C(=O)[O-]	ZINC001240834380	981877045	/nfs/dbraw/zinc/87/70/45/981877045.db2.gz	VKIDLBAGWPZVAK-UHFFFAOYSA-N	-2	0	206.197	2.116	20	30		BEEDRL