smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOc1cccc(Cc2cn(Cc3ccc(NC(=O)c4ccc(S(=O)(=O)F)cc4)cc3)c(=O)[nH]c2=O)c1	ZINC000043411768	562648349	/nfs/dbraw/zinc/64/83/49/562648349.db2.gz	CHLXSCIDDRUKEY-UHFFFAOYSA-N	0	0	537.569	3.485	1	70		KGIFRN
CCOc1cccc(Cc2cn(Cc3ccc(NC(=O)c4cccc(S(=O)(=O)F)c4)cc3)c(=O)[nH]c2=O)c1	ZINC000043411906	562648398	/nfs/dbraw/zinc/64/83/98/562648398.db2.gz	CISHADCYGXHTIG-UHFFFAOYSA-N	0	0	537.569	3.485	1	70		KGIFRN
CCOc1cccc(Cc2cn(Cc3cccc(NC(=O)c4cccc(S(=O)(=O)F)c4)c3)c(=O)[nH]c2=O)c1	ZINC000043422577	562648406	/nfs/dbraw/zinc/64/84/06/562648406.db2.gz	RXBDQGIPXWIIPR-UHFFFAOYSA-N	0	0	537.569	3.485	1	70		KGIFRN
COc1ccc2c(c1OS(=O)(=O)C(F)(F)F)C(=O)O[C@@H]2[C@H]1c2c(cc3c(c2OC)OCO3)CCN1C	ZINC000043562061	562649723	/nfs/dbraw/zinc/64/97/23/562649723.db2.gz	WJUCVILTNHIWKM-SJORKVTESA-N	0	0	531.461	3.102	1	70		KGIFRN
CCOc1cccc(Cc2cn(Cc3cccc(NC(=O)c4ccc(S(=O)(=O)F)cc4)c3)c(=O)[nH]c2=O)c1	ZINC000044264952	562652768	/nfs/dbraw/zinc/65/27/68/562652768.db2.gz	IFBJGCIOUBNASK-UHFFFAOYSA-N	0	0	537.569	3.485	1	70		KGIFRN
O=C(OCCCn1c2[nH]c(C3CCCC3)nc2c(=O)n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O)c1ccc(S(=O)(=O)F)cc1	ZINC000049733785	562673344	/nfs/dbraw/zinc/67/33/44/562673344.db2.gz	LYIXTUFBFWFAFP-UHFFFAOYSA-N	0	0	708.718	3.355	1	70		KGIFRN
C=C1C(C(=O)OC)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1NC(=O)OCC	ZINC000073257848	562737057	/nfs/dbraw/zinc/73/70/57/562737057.db2.gz	YZRZDTNDAQZRRT-UHFFFAOYSA-N	0	0	502.507	3.103	1	70		KGIFRN
C=C1C(C(=O)OCC)C(=P(c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)N1NC(=O)OCC	ZINC000073410114	562738692	/nfs/dbraw/zinc/73/86/92/562738692.db2.gz	INIHSCFIFBHKBM-UHFFFAOYSA-N	0	0	516.534	3.493	1	70		KGIFRN
CC(C)C[C@@H](CS(=O)(=O)F)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C	ZINC000095578529	562771307	/nfs/dbraw/zinc/77/13/07/562771307.db2.gz	CIVRZUILHLHPTH-FHWLQOOXSA-N	0	0	509.685	3.287	1	70		KGIFRN
COc1ccc(C(OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](OC(C)=O)[C@@H]2OC(C)=O)(c2ccccc2)c2ccc(OC)cc2)cc1	ZINC000161368435	562849143	/nfs/dbraw/zinc/84/91/43/562849143.db2.gz	ROCOYRMZDBRGQZ-PYTKSMOKSA-N	0	0	630.650	3.323	1	70		KGIFRN
CCOC(=O)CCc1ccccc1OP(=O)(OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3N)[C@](C)(O)[C@@H]1O)Oc1ccccc1CCC(=O)OCC	ZINC000217364428	562877568	/nfs/dbraw/zinc/87/75/68/562877568.db2.gz	OIRMGHBLFXLFMC-LLYGYOLGSA-N	0	0	728.696	3.274	1	70		KGIFRN
CC(C)[C@H]1c2nc3cc(CO)c(S(C)(=O)=O)cc3n2CCN1c1ncc([C@H](C)O)c(C(F)(F)F)n1	ZINC000218131454	562877868	/nfs/dbraw/zinc/87/78/68/562877868.db2.gz	WAZXSGZGKNWHSO-SGTLLEGYSA-N	0	0	513.542	3.012	1	70		KGIFRN