smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)COc1ccc(Cl)cc1/C=C1\C(=O)[N-]C(=O)NC1=O	ZINC000409220311	392622083	/nfs/dbraw/zinc/62/20/83/392622083.db2.gz	WPMTWBOLDPCORJ-UHFFFAOYSA-N	-1	1	323.692	-0.047	40	10		DBCBMM
NC(=O)COc1ccc(Cl)cc1/C=C1/C(=O)[N-]C(=O)NC1=O	ZINC000409220311	392622086	/nfs/dbraw/zinc/62/20/86/392622086.db2.gz	WPMTWBOLDPCORJ-UHFFFAOYSA-N	-1	1	323.692	-0.047	40	10		DBCBMM
NC(=O)COc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1Cl	ZINC000409224416	392621563	/nfs/dbraw/zinc/62/15/63/392621563.db2.gz	LHIHEKSCUIUXKV-UHFFFAOYSA-N	-1	1	323.692	-0.047	40	10		DBCBMM
NC(=O)COc1ccc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409224416	392621569	/nfs/dbraw/zinc/62/15/69/392621569.db2.gz	LHIHEKSCUIUXKV-UHFFFAOYSA-N	-1	1	323.692	-0.047	40	10		DBCBMM
NC(=O)COc1ccc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc1Cl	ZINC000409224416	392621577	/nfs/dbraw/zinc/62/15/77/392621577.db2.gz	LHIHEKSCUIUXKV-UHFFFAOYSA-N	-1	1	323.692	-0.047	40	10		DBCBMM
NC(=O)COc1cccc(C=C2C(=O)[N-]C(=S)NC2=O)c1	ZINC000409218397	392620485	/nfs/dbraw/zinc/62/04/85/392620485.db2.gz	FEGWIEAEUCMGLA-UHFFFAOYSA-N	-1	1	305.315	-0.535	40	10		DBCBMM
O=C1c2ccccc2C(=O)N1NC=C1C(=O)[N-]C(=S)NC1=O	ZINC000006646010	285020861	/nfs/dbraw/zinc/02/08/61/285020861.db2.gz	PCFGTXNQSFPJGK-UHFFFAOYSA-N	-1	1	316.298	-0.798	40	10		DBCBMM
NC(=O)COc1ccccc1C=C1C(=O)[N-]C(=S)NC1=O	ZINC000409218341	392620577	/nfs/dbraw/zinc/62/05/77/392620577.db2.gz	IEKKKBWCTIRTMU-UHFFFAOYSA-N	-1	1	305.315	-0.535	40	10		DBCBMM
Nc1nc(N)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(=O)[n-]1	ZINC000018067025	182091931	/nfs/dbraw/zinc/09/19/31/182091931.db2.gz	VGUWZPDGJHXELG-MSUUIHNZSA-N	-1	1	309.311	-0.003	40	10		DBCBMM
Cn1c2nc(N=NNc3nncs3)nc-2c([O-])n(C)c1=O	ZINC000005542987	374273282	/nfs/dbraw/zinc/27/32/82/374273282.db2.gz	RLEDPDGHGINYPS-UHFFFAOYSA-N	-1	1	307.299	-0.077	40	10		DBCBMM
Cn1c2[n-]c(N=NNc3nncs3)nc2c(=O)n(C)c1=O	ZINC000005542987	374273285	/nfs/dbraw/zinc/27/32/85/374273285.db2.gz	RLEDPDGHGINYPS-UHFFFAOYSA-N	-1	1	307.299	-0.077	40	10		DBCBMM
Nc1nc(N)c(N=Nc2ccc(S(N)(=O)=O)cc2)c(=O)[n-]1	ZINC000100366223	257232280	/nfs/dbraw/zinc/23/22/80/257232280.db2.gz	VGUWZPDGJHXELG-WUKNDPDISA-N	-1	1	309.311	-0.003	40	10		DBCBMM
O=C1CN(C=C2C(=O)[N-]C(=S)NC2=O)c2ccccc2N1	ZINC000016524940	280262540	/nfs/dbraw/zinc/26/25/40/280262540.db2.gz	NKVSBOZUMLLMKJ-UHFFFAOYSA-N	-1	1	302.315	-0.140	40	10		DBCBMM
O=C([O-])c1ccc(NC=C2C(=O)NC(=O)NC2=O)c([N+](=O)[O-])c1	ZINC000016384557	374379841	/nfs/dbraw/zinc/37/98/41/374379841.db2.gz	LCCDTRHNPNIZOH-UHFFFAOYSA-N	-1	1	320.217	-0.045	40	10		DBCBMM