smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc2c(cc1O)oc(C(=O)[O-])c(-c1nc(C)cs1)c2=O	ZINC000019702839	202017517	/nfs/dbraw/zinc/01/75/17/202017517.db2.gz	PFGDGIBMAMLUQT-UHFFFAOYSA-N	-1	2	331.349	3.191	50	0	biogenic	EGAALM
O=[P@@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000002020103	452683420	/nfs/dbraw/zinc/68/34/20/452683420.db2.gz	QRXMUCSWCMTJGU-UHFFFAOYSA-N	-1	2	326.470	3.055	50	0	in-vitro	EGAALM
O=[P@]([O-])(O)Oc1c[nH]c2ccc(Br)c(Cl)c12	ZINC000002020103	452683427	/nfs/dbraw/zinc/68/34/27/452683427.db2.gz	QRXMUCSWCMTJGU-UHFFFAOYSA-N	-1	2	326.470	3.055	50	0	in-vitro	EGAALM
CCc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccco3)C2)cc1	ZINC000004306577	210166719	/nfs/dbraw/zinc/16/67/19/210166719.db2.gz	XCUCKXOBTNSXBC-MRXNPFEDSA-N	-1	2	340.379	3.385	50	0		EGAALM
O=C([O-])c1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl	ZINC000000074505	452497737	/nfs/dbraw/zinc/49/77/37/452497737.db2.gz	OQVKEWCFAUMVMZ-UHFFFAOYSA-N	-1	2	346.191	3.492	50	0		EGAALM
O=C([O-])c1cc2ccccc2cc1NS(=O)(=O)c1cccs1	ZINC000020268457	212115958	/nfs/dbraw/zinc/11/59/58/212115958.db2.gz	IFDALHUCEBEPTN-UHFFFAOYSA-N	-1	2	333.390	3.400	50	0		EGAALM
C[C@H](Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(=O)[O-]	ZINC000000044208	209387174	/nfs/dbraw/zinc/38/71/74/209387174.db2.gz	YOQVHERGOVICCE-JTQLQIEISA-N	-1	2	326.304	3.018	50	0	biogenic	EGAALM
O=C([O-])c1c2c(sc1NS(=O)(=O)c1ccccc1)CCCC2	ZINC000000439882	452592582	/nfs/dbraw/zinc/59/25/82/452592582.db2.gz	UWCRPWYGSNLEGS-UHFFFAOYSA-N	-1	2	337.422	3.126	50	0		EGAALM
O=C([O-])c1ccc(Cn2c(=O)c3ccc(Cl)cc3[nH]c2=S)cc1	ZINC000000425277	304244777	/nfs/dbraw/zinc/24/47/77/304244777.db2.gz	HATCCZURVBJMLD-UHFFFAOYSA-N	-1	2	346.795	3.459	50	0		EGAALM
Cc1oc2ccc(NS(=O)(=O)c3cccs3)cc2c1C(=O)[O-]	ZINC000051148926	214080489	/nfs/dbraw/zinc/08/04/89/214080489.db2.gz	LWKMEQPUTQDNPU-UHFFFAOYSA-N	-1	2	337.378	3.302	50	0		EGAALM
O=[P@@]([O-])(O)c1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000009420390	211081160	/nfs/dbraw/zinc/08/11/60/211081160.db2.gz	DRVPBIFJFZTVBQ-UHFFFAOYSA-N	-1	2	333.107	3.375	50	0		EGAALM
O=[P@]([O-])(O)c1ccccc1OCc1ccc(Cl)cc1Cl	ZINC000009420390	211081163	/nfs/dbraw/zinc/08/11/63/211081163.db2.gz	DRVPBIFJFZTVBQ-UHFFFAOYSA-N	-1	2	333.107	3.375	50	0		EGAALM
O=[P@@]([O-])(O)Oc1c[nH]c2cc(Cl)c(Br)cc12	ZINC000002546075	452703565	/nfs/dbraw/zinc/70/35/65/452703565.db2.gz	CJNPEPJBIHGEMU-UHFFFAOYSA-N	-1	2	326.470	3.055	50	0	in-vitro	EGAALM
O=[P@]([O-])(O)Oc1c[nH]c2cc(Cl)c(Br)cc12	ZINC000002546075	452703581	/nfs/dbraw/zinc/70/35/81/452703581.db2.gz	CJNPEPJBIHGEMU-UHFFFAOYSA-N	-1	2	326.470	3.055	50	0	in-vitro	EGAALM
O=C([O-])c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1	ZINC000024100956	453725854	/nfs/dbraw/zinc/72/58/54/453725854.db2.gz	HWDNNTAODNWUIC-UHFFFAOYSA-N	-1	2	346.191	3.492	50	0		EGAALM
C[C@@H](Oc1cc(=O)c2c(O)cc(-c3ccccc3)oc-2c1)C(=O)[O-]	ZINC000000044209	209387220	/nfs/dbraw/zinc/38/72/20/209387220.db2.gz	YOQVHERGOVICCE-SNVBAGLBSA-N	-1	2	326.304	3.018	50	0	biogenic	EGAALM
CCc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccco3)C2)cc1	ZINC000004306576	210166670	/nfs/dbraw/zinc/16/66/70/210166670.db2.gz	XCUCKXOBTNSXBC-INIZCTEOSA-N	-1	2	340.379	3.385	50	0		EGAALM
CC(C)c1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1	ZINC000028580201	212626630	/nfs/dbraw/zinc/62/66/30/212626630.db2.gz	GIZYRMQDHSOWDZ-UHFFFAOYSA-N	-1	2	333.409	3.333	50	0		EGAALM
O=C([O-])C(Cc1cccc2ccccc21)(C[C@@H]1CCCO1)C(=O)O	ZINC000000346588	304027072	/nfs/dbraw/zinc/02/70/72/304027072.db2.gz	RALQDQYWJRGAQI-HNNXBMFYSA-N	-1	2	328.364	3.107	50	0		EGAALM
O=C([O-])c1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1	ZINC000024203660	453727836	/nfs/dbraw/zinc/72/78/36/453727836.db2.gz	OTYWEYOMRINEHB-UHFFFAOYSA-N	-1	2	346.191	3.492	50	0		EGAALM
O=C([O-])C(Cc1cccc2ccccc21)(C[C@H]1CCCO1)C(=O)O	ZINC000000346586	304026889	/nfs/dbraw/zinc/02/68/89/304026889.db2.gz	RALQDQYWJRGAQI-OAHLLOKOSA-N	-1	2	328.364	3.107	50	0		EGAALM