smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O[C@H]2CCCCO2)[C@H](C)O1	ZINC000003913909	552421803	/nfs/dbraw/zinc/42/18/03/552421803.db2.gz	KMSKQZKKOZQFFG-HSUXVGOQSA-N	0	3	627.643	1.552	50	10	in-man	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000009232419	553223633	/nfs/dbraw/zinc/22/36/33/553223633.db2.gz	STQGQHZAVUOBTE-QTMANNMUSA-N	0	3	527.526	1.029	50	10	investigational	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@H](C)O1	ZINC000009232421	553223620	/nfs/dbraw/zinc/22/36/20/553223620.db2.gz	STQGQHZAVUOBTE-TYHGLCHBSA-N	0	3	527.526	1.029	50	10		KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H]([NH3+])[C@H](O[C@@H]2CCCCO2)[C@H](C)O1	ZINC000014087429	553500432	/nfs/dbraw/zinc/50/04/32/553500432.db2.gz	KMSKQZKKOZQFFG-YXRRJAAWSA-N	0	3	627.643	1.552	50	10	investigational	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@@H](C)O1	ZINC000014806497	553520705	/nfs/dbraw/zinc/52/07/05/553520705.db2.gz	STQGQHZAVUOBTE-YLNAWMKSSA-N	0	3	527.526	1.029	50	10	investigational	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000095749871	553713240	/nfs/dbraw/zinc/71/32/40/553713240.db2.gz	STQGQHZAVUOBTE-MJBWQQDNSA-N	0	3	527.526	1.029	50	10	investigational	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000105414985	562825238	/nfs/dbraw/zinc/82/52/38/562825238.db2.gz	STQGQHZAVUOBTE-XSVJFENOSA-N	0	3	527.526	1.029	50	10	investigational	KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@H](O)[C@@H](C)O1	ZINC000105414987	562825218	/nfs/dbraw/zinc/82/52/18/562825218.db2.gz	STQGQHZAVUOBTE-YOIZVKKVSA-N	0	3	527.526	1.029	50	10		KDCAHN
CN(C)CCOC(=O)CCCN1C(=O)/C(=C2/SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)SC1=S	ZINC000137106973	571450249	/nfs/dbraw/zinc/45/02/49/571450249.db2.gz	GZWYTPGFLHCIAW-ZCXUNETKSA-N	0	3	576.788	1.689	50	10		KDCAHN
CN(C)CCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCCN(C)C)C2=O)SC1=S	ZINC000139070064	571452835	/nfs/dbraw/zinc/45/28/35/571452835.db2.gz	GZWYTPGFLHCIAW-ISLYRVAYSA-N	0	3	576.788	1.689	50	10		KDCAHN
CN(C)CCOC(=O)CCCN1C(=O)/C(=C2\SC(=S)N(CCCC(=O)OCC[NH+](C)C)C2=O)SC1=S	ZINC000139070064	571452834	/nfs/dbraw/zinc/45/28/34/571452834.db2.gz	GZWYTPGFLHCIAW-ISLYRVAYSA-N	0	3	576.788	1.689	50	10		KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@H](C)O1	ZINC000245253921	562881585	/nfs/dbraw/zinc/88/15/85/562881585.db2.gz	STQGQHZAVUOBTE-XXMUITIYSA-N	0	3	527.526	1.029	50	10		KDCAHN
COc1cccc2c1C(=O)c1c([O-])c3c(c(O)c1C2=O)C[C@](O)(C(C)=O)C[C@@H]3O[C@@H]1C[C@H]([NH3+])[C@@H](O)[C@@H](C)O1	ZINC000245253922	562881566	/nfs/dbraw/zinc/88/15/66/562881566.db2.gz	STQGQHZAVUOBTE-YVFUDADCSA-N	0	3	527.526	1.029	50	10		KDCAHN
CC[N@@H+]1CCN2c3ccc(NC=C4C(=O)[N-]C(=O)N(C(C)C)C4=O)cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2C1	ZINC000245326861	572233066	/nfs/dbraw/zinc/23/30/66/572233066.db2.gz	MMPCPWSTMDGFJB-MTGKDYNDSA-N	0	3	551.604	1.413	50	10		KDCAHN