smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(NS(=O)(=O)c2ccc(N[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]3NC(C)=O)cc2)nn1	ZINC000004706608	524694388	/nfs/dbraw/zinc/69/43/88/524694388.db2.gz	VBSDYIJVCNCPCH-LRMKFPBYSA-N	0	2	483.503	-1.358	40	0		JAABLN
COc1ccc(NS(=O)(=O)c2ccc(N[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3NC(C)=O)cc2)nn1	ZINC000004706609	524693421	/nfs/dbraw/zinc/69/34/21/524693421.db2.gz	VBSDYIJVCNCPCH-DYTYQCPDSA-N	0	2	483.503	-1.358	40	0		JAABLN
COc1ccc(NS(=O)(=O)c2ccc(N[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)cc2)nn1	ZINC000004706610	524695232	/nfs/dbraw/zinc/69/52/32/524695232.db2.gz	VBSDYIJVCNCPCH-LDFOPSEGSA-N	0	2	483.503	-1.358	40	0		JAABLN
COc1ccc(NS(=O)(=O)c2ccc(N[C@H]3O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]3NC(C)=O)cc2)nn1	ZINC000004706611	524695208	/nfs/dbraw/zinc/69/52/08/524695208.db2.gz	VBSDYIJVCNCPCH-QZCFVMSDSA-N	0	2	483.503	-1.358	40	0		JAABLN
CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000009033302	554867687	/nfs/dbraw/zinc/86/76/87/554867687.db2.gz	FJUIGBPJSWMBOZ-ZFHCCXERSA-N	0	2	486.434	-1.747	40	0		JAABLN
NS(=O)(=O)c1nnc(NC(=O)c2cccc(C(=O)Nc3nnc(S(N)(=O)=O)s3)n2)s1	ZINC000016430006	527325193	/nfs/dbraw/zinc/32/51/93/527325193.db2.gz	AMBUIHYFHXSGNX-UHFFFAOYSA-N	0	2	491.518	-1.416	40	0		JAABLN
CC(=O)OC[C@@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O	ZINC000034716119	569651741	/nfs/dbraw/zinc/65/17/41/569651741.db2.gz	FJUIGBPJSWMBOZ-QHLBIMPKSA-N	0	2	486.434	-1.747	40	0		JAABLN
CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000034716121	569651765	/nfs/dbraw/zinc/65/17/65/569651765.db2.gz	FJUIGBPJSWMBOZ-KAYRBKQESA-N	0	2	486.434	-1.747	40	0		JAABLN
CC(=O)OC[C@@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000034716123	569651748	/nfs/dbraw/zinc/65/17/48/569651748.db2.gz	FJUIGBPJSWMBOZ-SFUJAXRZSA-N	0	2	486.434	-1.747	40	0		JAABLN
CC(=O)OC[C@H]1O[C@@H](n2nc(N(C)C)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000102809059	130313945	/nfs/dbraw/zinc/31/39/45/130313945.db2.gz	FJUIGBPJSWMBOZ-VFCJXBEMSA-N	0	2	486.434	-1.747	40	0		JAABLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000169729405	569871548	/nfs/dbraw/zinc/87/15/48/569871548.db2.gz	ZZZRUAITSXLWBH-HFJCBVEWSA-N	0	2	457.483	-1.067	40	0	in-vitro	JAABLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000169729406	569871553	/nfs/dbraw/zinc/87/15/53/569871553.db2.gz	ZZZRUAITSXLWBH-HBRHSWFQSA-N	0	2	457.483	-1.067	40	0	in-vitro	JAABLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000169729407	569871566	/nfs/dbraw/zinc/87/15/66/569871566.db2.gz	ZZZRUAITSXLWBH-NOHUXHDNSA-N	0	2	457.483	-1.067	40	0	in-vitro	JAABLN
CN(C)c1ccc(O)c2c1C[C@H]1C[C@H]3[C@H]([NH+](C)C)C([O-])=C(C(N)=O)C(=O)[C@@]3(O)C(=O)C1=C2O	ZINC000169729408	569871536	/nfs/dbraw/zinc/87/15/36/569871536.db2.gz	ZZZRUAITSXLWBH-JWWRETGWSA-N	0	2	457.483	-1.067	40	0	in-vitro	JAABLN