smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1NC(=O)C(=NNc2ccc(S(=O)(=O)N3CCCC3)cc2)C(=O)N1	ZINC000001087126	219367473	/nfs/dbraw/zinc/36/74/73/219367473.db2.gz	SBMOTWWKOWYJJH-UHFFFAOYSA-N	0	2	365.371	-0.395	50	30		FBEALN
CC(=O)Nc1ccc(S(=O)(=O)N=C(O)NN2CCS(=O)CC2)cc1	ZINC000002584156	204045009	/nfs/dbraw/zinc/04/50/09/204045009.db2.gz	PFBAWUKFRFXSQF-UHFFFAOYSA-N	0	2	374.444	-0.183	50	30		FBEALN
CCN(CC)S(=O)(=O)c1ccc(NN=C2C(=O)NC(=O)NC2=O)cc1	ZINC000006470137	204249105	/nfs/dbraw/zinc/24/91/05/204249105.db2.gz	URFRYPHTOFRWHJ-UHFFFAOYSA-N	0	2	367.387	-0.149	50	30		FBEALN
CCN(CC)S(=O)(=O)c1cccc(NN=C2C(=O)NC(=O)NC2=O)c1	ZINC000008432899	483427875	/nfs/dbraw/zinc/42/78/75/483427875.db2.gz	CDXHQBBNKFGSTM-UHFFFAOYSA-N	0	2	367.387	-0.149	50	30		FBEALN
CCCn1c(NN=C2C(=O)NC(=O)NC2=O)nc2c1[C@@H](O)NC(=O)N2C	ZINC000009110934	207257258	/nfs/dbraw/zinc/25/72/58/207257258.db2.gz	KCQNXGVHMQXBHR-SNVBAGLBSA-N	0	2	364.322	-0.378	50	30		FBEALN
CCCn1c(NN=C2C(=O)NC(=O)NC2=O)nc2c1[C@H](O)NC(=O)N2C	ZINC000009110935	485113486	/nfs/dbraw/zinc/11/34/86/485113486.db2.gz	KCQNXGVHMQXBHR-JTQLQIEISA-N	0	2	364.322	-0.378	50	30		FBEALN
Cc1[nH][nH]c(=O)c1N=Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	ZINC000012413089	207372158	/nfs/dbraw/zinc/37/21/58/207372158.db2.gz	AMRXVUBGPYENRQ-UHFFFAOYSA-N	0	2	351.388	-0.019	50	30		FBEALN
Cc1[nH]c(=O)c(C#N)cc1C(=O)N1CCc2c(nc(N(C)C)[nH]c2=O)C1	ZINC000072157185	483846853	/nfs/dbraw/zinc/84/68/53/483846853.db2.gz	ZBPHNCORGUBBRS-UHFFFAOYSA-N	0	2	354.370	-0.097	50	30		FBEALN
N#Cc1cc(CN2CC[N@H+](CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c[nH]1	ZINC000091635637	484577290	/nfs/dbraw/zinc/57/72/90/484577290.db2.gz	WCINDIFKQGBLMD-KGLIPLIRSA-N	0	2	352.416	-0.356	50	30		FBEALN
N#Cc1cc(CN2CC[N@@H+](CCC(=O)[O-])[C@@H]3CS(=O)(=O)C[C@@H]32)c[nH]1	ZINC000091635637	484577284	/nfs/dbraw/zinc/57/72/84/484577284.db2.gz	WCINDIFKQGBLMD-KGLIPLIRSA-N	0	2	352.416	-0.356	50	30		FBEALN
C=CCN1C[C@@]2(C(=O)[O-])C[N@@H+](Cc3cc(=O)n4[nH]c(C)cc4n3)C[C@H]2C1=O	ZINC000102817998	484265420	/nfs/dbraw/zinc/26/54/20/484265420.db2.gz	DNBFBUCRWXIDRF-UGSOOPFHSA-N	0	2	371.397	-0.138	50	30		FBEALN