smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(=O)[nH]2)cc1	ZINC000034763710	557461066	/nfs/dbraw/zinc/46/10/66/557461066.db2.gz	VYFYWUPRLUCVIP-RHSMWYFYSA-N	0	2	400.479	2.649	10	0		HFAELN
CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(=O)[nH]2)cc1	ZINC000034763707	557461146	/nfs/dbraw/zinc/46/11/46/557461146.db2.gz	VYFYWUPRLUCVIP-YOEHRIQHSA-N	0	2	400.479	2.649	10	0		HFAELN
CC1(c2ccc(CCOc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)nc2)OCCO1	ZINC000006202152	560205387	/nfs/dbraw/zinc/20/53/87/560205387.db2.gz	BKGURYFSOKOYPR-SFHVURJKSA-N	0	2	414.483	2.817	10	0	in-vitro	HFAELN
CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CCCO3)c(=O)[nH]2)cc1	ZINC000034763702	557461172	/nfs/dbraw/zinc/46/11/72/557461172.db2.gz	VYFYWUPRLUCVIP-PBHICJAKSA-N	0	2	400.479	2.649	10	0		HFAELN
COc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+](C)Cc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000012591857	558436134	/nfs/dbraw/zinc/43/61/34/558436134.db2.gz	PGSXWXBHBIRLFR-UHFFFAOYSA-N	0	2	408.437	2.730	10	0		HFAELN
COc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+](C)Cc2n[nH]c(=O)[n-]2)c(F)c1	ZINC000012591857	558436136	/nfs/dbraw/zinc/43/61/36/558436136.db2.gz	PGSXWXBHBIRLFR-UHFFFAOYSA-N	0	2	408.437	2.730	10	0		HFAELN
O=C([O-])CN(CC[NH+]1CCOCC1)C(=O)OCC1c2ccccc2-c2ccccc21	ZINC000725240553	559056344	/nfs/dbraw/zinc/05/63/44/559056344.db2.gz	NBDFUQVVSCFESF-UHFFFAOYSA-N	0	2	410.470	2.654	10	0		HFAELN
CC1(c2ccc(CCOc3ccc(C[C@H]4SC(=O)NC4=O)cc3)nc2)OCCO1	ZINC000006202149	560205381	/nfs/dbraw/zinc/20/53/81/560205381.db2.gz	BKGURYFSOKOYPR-GOSISDBHSA-N	0	2	414.483	2.817	10	0	in-vitro	HFAELN
CC[C@H](C)Oc1ccc(-c2nnc(CCC(=O)NC[C@H]3CCCO3)c(=O)[nH]2)cc1	ZINC000034763716	557461210	/nfs/dbraw/zinc/46/12/10/557461210.db2.gz	VYFYWUPRLUCVIP-WMLDXEAASA-N	0	2	400.479	2.649	10	0		HFAELN
O=C(NC1CC2CC1CN2S(=O)(=O)c1cccc2cccnc21)c1ccccc1	ZINC000065266689	558763093	/nfs/dbraw/zinc/76/30/93/558763093.db2.gz	GJGWJWJGQINCFZ-FHWLQOOXSA-N	0	2	407.495	2.816	10	0		HFAELN
O=C(CSc1nc(O)c(-c2ccccc2)c(=O)[nH]1)Nc1nc2ccccc2s1	ZINC000100818276	558797260	/nfs/dbraw/zinc/79/72/60/558797260.db2.gz	JEZBEQOXHXBFBS-UHFFFAOYSA-N	0	2	410.480	2.764	10	0		HFAELN
O=C(CSC1=NC(=O)[C@H](c2ccccc2)C(=O)N1)Nc1nc2ccccc2s1	ZINC000100818276	558797262	/nfs/dbraw/zinc/79/72/62/558797262.db2.gz	JEZBEQOXHXBFBS-UHFFFAOYSA-N	0	2	410.480	2.764	10	0		HFAELN