smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)[O-])c(NS(=O)(=O)c2ccc(C#N)s2)c1	ZINC000318768620	466590025	/nfs/dbraw/zinc/59/00/25/466590025.db2.gz	AYNNCHZYLSPTNP-UHFFFAOYSA-N	-1	2	338.366	2.127	40	30		EEEBLM
O=C([O-])c1ccc(/N=C\c2c[nH]n3c2nc2ccccc2c3=O)cc1O	ZINC000100962724	219112516	/nfs/dbraw/zinc/11/25/16/219112516.db2.gz	XTYSRNYHZMVLQB-UWVJOHFNSA-N	-1	2	348.318	2.330	40	30		EEEBLM
O=C([O-])c1ccc(C=NNc2nnc(-c3ccccc3)c(=O)[nH]2)cc1	ZINC000027233240	463186271	/nfs/dbraw/zinc/18/62/71/463186271.db2.gz	WXZFKSZHRQYBPV-VCHYOVAHSA-N	-1	2	335.323	2.388	40	30		EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000000135466	462543598	/nfs/dbraw/zinc/54/35/98/462543598.db2.gz	ICTZCAHDGHPRQR-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	biogenic	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000000135466	462543603	/nfs/dbraw/zinc/54/36/03/462543603.db2.gz	ICTZCAHDGHPRQR-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	biogenic	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000000135466	462543604	/nfs/dbraw/zinc/54/36/04/462543604.db2.gz	ICTZCAHDGHPRQR-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	biogenic	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000053007738	214160050	/nfs/dbraw/zinc/16/00/50/214160050.db2.gz	WEYVVCKOOFYHRW-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	in-vitro	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000053007738	214160054	/nfs/dbraw/zinc/16/00/54/214160054.db2.gz	WEYVVCKOOFYHRW-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	in-vitro	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000053007738	214160057	/nfs/dbraw/zinc/16/00/57/214160057.db2.gz	WEYVVCKOOFYHRW-SFHVURJKSA-N	-1	2	344.319	2.127	40	30	in-vitro	EEEBLM
N#Cc1ccc(S(=O)(=O)Nc2ccc3n[nH]nc3c2)cc1Cl	ZINC000176529359	464794494	/nfs/dbraw/zinc/79/44/94/464794494.db2.gz	LDZAXLLLNYQGFV-UHFFFAOYSA-N	-1	2	333.760	2.284	40	30		EEEBLM
N#Cc1ccc(S(=O)(=O)Nc2ccc3nn[nH]c3c2)cc1Cl	ZINC000176529359	464794498	/nfs/dbraw/zinc/79/44/98/464794498.db2.gz	LDZAXLLLNYQGFV-UHFFFAOYSA-N	-1	2	333.760	2.284	40	30		EEEBLM
O=[N+]([O-])c1ccc([O-])c(/C=N\N=C/c2cc([N+](=O)[O-])ccc2O)c1	ZINC000017158509	462995708	/nfs/dbraw/zinc/99/57/08/462995708.db2.gz	ULNJZDPQMMBRNH-DUGOVBPYSA-N	-1	2	330.256	2.367	40	30		EEEBLM
N#C[C@@H](C(=O)c1ccnc(-n2cc[nH+]c2)c1)c1nnc2n1CCCCC2	ZINC000187225725	464107755	/nfs/dbraw/zinc/10/77/55/464107755.db2.gz	WUELUROYCZGGLG-AWEZNQCLSA-N	-1	2	347.382	2.075	40	30		EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(C(C)=O)=C1[O-])O2	ZINC000053007741	214160024	/nfs/dbraw/zinc/16/00/24/214160024.db2.gz	WEYVVCKOOFYHRW-GOSISDBHSA-N	-1	2	344.319	2.127	40	30	biogenic,in-vitro	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC(=O)C(=C(C)[O-])C1=O)O2	ZINC000053007741	214160030	/nfs/dbraw/zinc/16/00/30/214160030.db2.gz	WEYVVCKOOFYHRW-GOSISDBHSA-N	-1	2	344.319	2.127	40	30	biogenic,in-vitro	EEEBLM
CC(=O)c1c2c(c(O)c(C)c1O)[C@@]1(C)C(=CC([O-])=C(C(C)=O)C1=O)O2	ZINC000053007741	214160033	/nfs/dbraw/zinc/16/00/33/214160033.db2.gz	WEYVVCKOOFYHRW-GOSISDBHSA-N	-1	2	344.319	2.127	40	30	biogenic,in-vitro	EEEBLM
N#C[C@H](C(=O)c1ccnc(-n2cc[nH+]c2)c1)c1nnc2n1CCCCC2	ZINC000187225710	464107414	/nfs/dbraw/zinc/10/74/14/464107414.db2.gz	WUELUROYCZGGLG-CQSZACIVSA-N	-1	2	347.382	2.075	40	30		EEEBLM