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@@H](Cc1cnc[nH]1)NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000101367204	488494524	/nfs/dbraw/zinc/49/45/24/488494524.db2.gz	UXCCDSRAZZSBMO-LLBKUYECSA-N	-2	1	369.337	0.162	50	10		FCCAML
O=C([O-])[C@@H](Cc1cnc[nH]1)NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000020567362	487611349	/nfs/dbraw/zinc/61/13/49/487611349.db2.gz	UXCCDSRAZZSBMO-YQCJOKCJSA-N	-2	1	369.337	0.162	50	10		FCCAML
O=C([O-])CCn1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)c(-c2ccc(F)cc2)n1	ZINC000003272978	204086586	/nfs/dbraw/zinc/08/65/86/204086586.db2.gz	UCMQLOZVPAVWRN-UHFFFAOYSA-N	-2	1	372.312	0.913	50	10		FCCAML
O=C([O-])CCn1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)c(-c2ccc(F)cc2)n1	ZINC000003272978	204086589	/nfs/dbraw/zinc/08/65/89/204086589.db2.gz	UCMQLOZVPAVWRN-UHFFFAOYSA-N	-2	1	372.312	0.913	50	10		FCCAML
O=C([O-])COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000002303519	204032914	/nfs/dbraw/zinc/03/29/14/204032914.db2.gz	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-2	1	369.127	0.662	50	10		FCCAML
O=C([O-])COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Br	ZINC000002303519	204032918	/nfs/dbraw/zinc/03/29/18/204032918.db2.gz	WZGHXEZBJANHMZ-UHFFFAOYSA-N	-2	1	369.127	0.662	50	10		FCCAML
O=C([O-])[C@H](Cc1cnc[nH]1)NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000101367201	488494550	/nfs/dbraw/zinc/49/45/50/488494550.db2.gz	UXCCDSRAZZSBMO-FSBNRTBOSA-N	-2	1	369.337	0.162	50	10		FCCAML
O=C1[N-]C(=S)NC(=O)C1=CNc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	ZINC000095470954	488484721	/nfs/dbraw/zinc/48/47/21/488484721.db2.gz	ZQLUMHZVBQUYLF-UHFFFAOYSA-N	-2	1	353.272	0.035	50	10		FCCAML
CN1C(=O)C(=CN[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)[N-]C1=S	ZINC000020358720	487610052	/nfs/dbraw/zinc/61/00/52/487610052.db2.gz	QCMQWCNUTWQPTG-YKWSONSWSA-N	-2	1	372.406	0.510	50	10		FCCAML
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000020588458	487611571	/nfs/dbraw/zinc/61/15/71/487611571.db2.gz	DIKNXIQNBAZULC-LBPRGKRZSA-N	-2	1	358.379	0.168	50	10		FCCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000004725166	207041267	/nfs/dbraw/zinc/04/12/67/207041267.db2.gz	TXUNSCVBQOUELZ-QMMMGPOBSA-N	-2	1	364.379	0.852	50	10		FCCAML
O=C([O-])C[C@H](CNC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(Cl)cc1	ZINC000020592015	211286991	/nfs/dbraw/zinc/28/69/91/211286991.db2.gz	HQWLFEBRTUDUBO-SECBINFHSA-N	-2	1	367.814	0.903	50	10		FCCAML
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000020588456	211288599	/nfs/dbraw/zinc/28/85/99/211288599.db2.gz	DIKNXIQNBAZULC-GFCCVEGCSA-N	-2	1	358.379	0.168	50	10		FCCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1OCC(=O)[O-]	ZINC000004755244	487479978	/nfs/dbraw/zinc/47/99/78/487479978.db2.gz	LCYXGYOIDRNFKP-UHFFFAOYSA-N	-2	1	350.352	0.463	50	10		FCCAML
CN1C(=O)C(=CN[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])C(=O)[N-]C1=S	ZINC000020358722	220324607	/nfs/dbraw/zinc/32/46/07/220324607.db2.gz	QCMQWCNUTWQPTG-RUNBWSAHSA-N	-2	1	372.406	0.510	50	10		FCCAML
O=C([O-])[C@H](Cc1cnc[nH]1)NC=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O	ZINC000019830050	487608196	/nfs/dbraw/zinc/60/81/96/487608196.db2.gz	UXCCDSRAZZSBMO-RPHSKFLZSA-N	-2	1	369.337	0.162	50	10		FCCAML
O=C([O-])CCn1cc(C=C2C(=O)[N-]C(=S)NC2=O)c(-c2ccccc2)n1	ZINC000003214511	487470718	/nfs/dbraw/zinc/47/07/18/487470718.db2.gz	POGNHMHPEPYGAQ-UHFFFAOYSA-N	-2	1	370.390	0.939	50	10		FCCAML
O=C([O-])C[C@@H](CNC=C1C(=O)[N-]C(=S)NC1=O)c1ccc(Cl)cc1	ZINC000020592013	220335499	/nfs/dbraw/zinc/33/54/99/220335499.db2.gz	HQWLFEBRTUDUBO-VIFPVBQESA-N	-2	1	367.814	0.903	50	10		FCCAML
CCOc1cc(C=C2C(=O)[N-]C(=S)NC2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000004725167	487479971	/nfs/dbraw/zinc/47/99/71/487479971.db2.gz	TXUNSCVBQOUELZ-MRVPVSSYSA-N	-2	1	364.379	0.852	50	10		FCCAML