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@@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000827303948	602150494	/nfs/dbraw/zinc/15/04/94/602150494.db2.gz	MDUIAYQPLONRPY-BYPYZUCNSA-N	-2	0	241.207	-1.324	20	50		BAGDRL
C[C@H](CC(=O)[O-])C(=O)N[N-]C(=O)c1cn[nH]n1	ZINC000827303949	602150546	/nfs/dbraw/zinc/15/05/46/602150546.db2.gz	MDUIAYQPLONRPY-SCSAIBSYSA-N	-2	0	241.207	-1.324	20	50		BAGDRL
NC(=O)c1nccnc1C(=O)[N-]NC(=O)[O-]	ZINC000831241350	603628605	/nfs/dbraw/zinc/62/86/05/603628605.db2.gz	VEGYCGDYVAUJGY-UHFFFAOYSA-N	-2	0	225.164	-1.512	20	50		BAGDRL
O=C([O-])Cn1cc(C=NNC(=O)[O-])nn1	ZINC000831816093	605453840	/nfs/dbraw/zinc/45/38/40/605453840.db2.gz	ZRISFKQNGFJEAC-UHFFFAOYSA-N	-2	0	213.153	-1.036	20	50		BAGDRL
Cc1nc(C(=O)[N-]NC(=O)CNC(=O)[O-])no1	ZINC000833912755	605405330	/nfs/dbraw/zinc/40/53/30/605405330.db2.gz	OLMXRKZSQRLHQR-UHFFFAOYSA-N	-2	0	243.179	-1.593	20	50		BAGDRL
Cc1nc(C(=O)[N-]NC(=O)CNC(=O)[O-])c[nH]1	ZINC000833913295	605453753	/nfs/dbraw/zinc/45/37/53/605453753.db2.gz	YEMBDISKRZTGLQ-UHFFFAOYSA-N	-2	0	241.207	-1.253	20	50		BAGDRL
Cc1nonc1C(=O)[N-]NC(=O)CNC(=O)[O-]	ZINC000833934042	605446498	/nfs/dbraw/zinc/44/64/98/605446498.db2.gz	WUXXPMSPCZKGEI-UHFFFAOYSA-N	-2	0	243.179	-1.593	20	50		BAGDRL
Cn1ccc(C(=O)[N-]NC(=O)CNC(=O)[O-])n1	ZINC000833951450	605469367	/nfs/dbraw/zinc/46/93/67/605469367.db2.gz	XCYOPNHHFVRLNG-UHFFFAOYSA-N	-2	0	241.207	-1.551	20	50		BAGDRL
Cn1cnc(C(=O)[N-]NC(=O)CNC(=O)[O-])c1	ZINC000833954925	605453749	/nfs/dbraw/zinc/45/37/49/605453749.db2.gz	YAULZBAEHDPKCV-UHFFFAOYSA-N	-2	0	241.207	-1.551	20	50		BAGDRL
O=C([O-])NCC(=O)NNC(=O)c1cc(=O)[nH][n-]1	ZINC000834202560	605487816	/nfs/dbraw/zinc/48/78/16/605487816.db2.gz	XUSHHVGUDVVYBF-UHFFFAOYSA-N	-2	0	243.179	-2.723	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnsn1	ZINC000834202759	605461009	/nfs/dbraw/zinc/46/10/09/605461009.db2.gz	ADXSSHQTCWADKT-UHFFFAOYSA-N	-2	0	245.220	-1.433	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cocn1	ZINC000834202879	605445200	/nfs/dbraw/zinc/44/52/00/605445200.db2.gz	GIOPFRIZCGBPHP-UHFFFAOYSA-N	-2	0	228.164	-1.297	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1csnn1	ZINC000834202982	605470111	/nfs/dbraw/zinc/47/01/11/605470111.db2.gz	IXCYLIIAHFBVHT-UHFFFAOYSA-N	-2	0	245.220	-1.433	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ccon1	ZINC000834203014	605470141	/nfs/dbraw/zinc/47/01/41/605470141.db2.gz	JIHSWICUSMRBHV-UHFFFAOYSA-N	-2	0	228.164	-1.297	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnco1	ZINC000834203334	605471434	/nfs/dbraw/zinc/47/14/34/605471434.db2.gz	QVFDCDRJKRBTEP-UHFFFAOYSA-N	-2	0	228.164	-1.297	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1c[nH]cn1	ZINC000834203497	605452510	/nfs/dbraw/zinc/45/25/10/605452510.db2.gz	VJCUGTUZYNMAEU-UHFFFAOYSA-N	-2	0	227.180	-1.562	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1ncccn1	ZINC000834203523	605452572	/nfs/dbraw/zinc/45/25/72/605452572.db2.gz	WAGDYUWANXPREX-UHFFFAOYSA-N	-2	0	239.191	-1.495	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1nc[nH]n1	ZINC000834203593	605452597	/nfs/dbraw/zinc/45/25/97/605452597.db2.gz	XGGZIQZALMYRQK-UHFFFAOYSA-N	-2	0	228.168	-2.167	20	50		BAGDRL
O=C([O-])NCC(=O)N[N-]C(=O)c1cnns1	ZINC000834203662	605471000	/nfs/dbraw/zinc/47/10/00/605471000.db2.gz	ZPMXRQYNWITIKG-UHFFFAOYSA-N	-2	0	245.220	-1.433	20	50		BAGDRL