smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1cc(NN=C2C(=O)NC(=O)NC2=O)cc(C(=O)OC)c1	ZINC000001771869	381287440	/nfs/dbraw/zinc/28/74/40/381287440.db2.gz	QMPXEDNQJMFGAL-UHFFFAOYSA-N	0	2	348.271	-0.606	50	30		EBEALN
COc1ccc(C(=O)C2=C(O)C(=O)OC23C(=O)NC(=O)NC3=O)cc1	ZINC000013163089	375970371	/nfs/dbraw/zinc/97/03/71/375970371.db2.gz	FKLWLYGBVMIKFO-UHFFFAOYSA-N	0	2	346.251	-0.648	50	30		EBEALN
CNC(=O)c1[nH]cnc1N=C1SC(CC(=O)OC)C(=O)N1C	ZINC000016956797	376479990	/nfs/dbraw/zinc/47/99/90/376479990.db2.gz	SOWWNLPFBZFURV-GSRVVABRSA-N	0	2	325.350	-0.106	50	30		EBEALN
Nc1ccc(S(=O)(=O)N=C(O)NN2CCS(=O)(=O)CC2)cc1	ZINC000043191005	381994123	/nfs/dbraw/zinc/99/41/23/381994123.db2.gz	HNSLDQAGELPQMU-UHFFFAOYSA-N	0	2	348.406	-0.894	50	30		EBEALN
O=C(c1ccccc1NN=C1C(=O)NC(=O)NC1=O)N1CCOCC1	ZINC000004309433	210166258	/nfs/dbraw/zinc/16/62/58/210166258.db2.gz	ANFKNIWZMKMPBY-UHFFFAOYSA-N	0	2	345.315	-0.707	50	30		EBEALN
CNC(=O)c1[nH]cnc1N=C1SC(CC(=O)OC)C(=O)N1C	ZINC000016956795	376480720	/nfs/dbraw/zinc/48/07/20/376480720.db2.gz	SOWWNLPFBZFURV-IPCCBMTBSA-N	0	2	325.350	-0.106	50	30		EBEALN
Cc1c(N=C2C(=O)NC(=O)NC2=O)c(=O)n(-c2ccccc2)n1C	ZINC000003014796	300972710	/nfs/dbraw/zinc/97/27/10/300972710.db2.gz	HNOQDPRGNGELIJ-UHFFFAOYSA-N	0	2	327.300	-0.077	50	30		EBEALN
O=C1NC(=O)N(CCCO)C(=O)C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000022205560	376057374	/nfs/dbraw/zinc/05/73/74/376057374.db2.gz	KANHNPSONVCRCH-YBEGLDIGSA-N	0	2	335.276	-0.177	50	30		EBEALN