smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCc1cc(C)nc(NN=CC2C(=O)NC(=O)NC2=O)c1C#N	ZINC000005361645	375903686	/nfs/dbraw/zinc/90/36/86/375903686.db2.gz	QQEBXUWYSRSIHY-FZSIALSZSA-N	0	1	330.304	-0.064	40	30		EBEBMN
N#Cc1cccc(S(=O)(=O)NCCN[C@H]2CCS(=O)(=O)C2)c1	ZINC000575420582	382103961	/nfs/dbraw/zinc/10/39/61/382103961.db2.gz	CGZCIYZARWZZTC-LBPRGKRZSA-N	0	1	343.430	-0.387	40	30		EBEBMN
CS(=O)(=O)NC[C@H]1OC[C@@H](NCc2cccc(C#N)c2)[C@@H]1O	ZINC000077264576	202391595	/nfs/dbraw/zinc/39/15/95/202391595.db2.gz	SNNMFFODOBYWNA-MCIONIFRSA-N	0	1	325.390	-0.675	40	30	biogenic,in-vitro	EBEBMN
CCOC(=O)CC(=O)C(N=Nc1[nH]cnc1C(N)=O)C(=O)OCC	ZINC000017126603	375998686	/nfs/dbraw/zinc/99/86/86/375998686.db2.gz	NMWBHIZWTKGZCQ-RQZCQDPDSA-N	0	1	339.308	-0.638	40	30		EBEBMN
Cn1c(NN=Cc2ccc(O)cc2O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000004894859	210315292	/nfs/dbraw/zinc/31/52/92/210315292.db2.gz	KDYXHBIDOMTKJH-FRKPEAEDSA-N	0	1	344.331	-0.172	40	30		EBEBMN
CCOC(=O)CC(=O)C(N=Nc1[nH]cnc1C(N)=O)C(=O)OCC	ZINC000001574820	375876572	/nfs/dbraw/zinc/87/65/72/375876572.db2.gz	NMWBHIZWTKGZCQ-MFOYZWKCSA-N	0	1	339.308	-0.638	40	30		EBEBMN
N#Cc1cccc(S(=O)(=O)NCCN[C@@H]2CCS(=O)(=O)C2)c1	ZINC000575420580	382103003	/nfs/dbraw/zinc/10/30/03/382103003.db2.gz	CGZCIYZARWZZTC-GFCCVEGCSA-N	0	1	343.430	-0.387	40	30		EBEBMN
COc1c(OC(C)=O)ccc(C=NNc2nncn2N)c1[N+](=O)[O-]	ZINC000408719250	420516940	/nfs/dbraw/zinc/51/69/40/420516940.db2.gz	BCHUZBISSPFGEH-LHHJGKSTSA-N	0	1	335.280	0.280	40	30		EBEBMN