smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCNC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O	ZINC000036113808	562047327	/nfs/dbraw/zinc/04/73/27/562047327.db2.gz	STSWKOTUOJVWJD-UHFFFAOYSA-N	0	0	505.572	2.432	1	70		KEIFRN
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F	ZINC000095573492	562769731	/nfs/dbraw/zinc/76/97/31/562769731.db2.gz	KFBBFSAAGLRBBS-MLCQCVOFSA-N	0	0	564.765	2.429	1	70		KEIFRN
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)CNn1c(=O)c2cc(Br)ccc2nc1-c1ccccc1	ZINC000160458650	562849050	/nfs/dbraw/zinc/84/90/50/562849050.db2.gz	KYMAPFVXGBCRTQ-GSDHBNRESA-N	0	0	646.447	2.297	1	70		KEIFRN
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)C(=O)CNn1c(=O)c2cc(Br)ccc2nc1-c1ccccc1	ZINC000160458803	562849026	/nfs/dbraw/zinc/84/90/26/562849026.db2.gz	KYMAPFVXGBCRTQ-KKUQBAQOSA-N	0	0	646.447	2.297	1	70		KEIFRN
CC(=O)Nc1nc2c(ncn2[C@@H]2O[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(OCc2ccc(I)cc2)n1	ZINC000161277989	562849136	/nfs/dbraw/zinc/84/91/36/562849136.db2.gz	JTHAFTXMGGOBMX-VNHKHXMHSA-N	0	0	653.386	2.250	1	70		KEIFRN
COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)CN(C(=O)Oc1c(F)c(F)c(F)c(F)c1F)C(C)C	ZINC000169328092	562858237	/nfs/dbraw/zinc/85/82/37/562858237.db2.gz	PYFBDGGFPQKJMS-KKUMJFAQSA-N	0	0	636.571	2.114	1	70		KEIFRN
CC(C)OC(=O)CCc1ccccc1O[P@@](=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3N)[C@](C)(O)[C@H]1O	ZINC000216870300	562877464	/nfs/dbraw/zinc/87/74/64/562877464.db2.gz	YYOSDGKUBJESAA-BLMMHLEESA-N	0	0	679.668	2.018	1	70		KEIFRN
CC(C)OC(=O)CCc1ccccc1O[P@](=O)(N[C@@H](C)C(=O)OC(C)C)OC[C@H]1O[C@@H](n2cnc3c2nc(N)nc3N)[C@](C)(O)[C@H]1O	ZINC000216870329	562877492	/nfs/dbraw/zinc/87/74/92/562877492.db2.gz	YYOSDGKUBJESAA-BCUDEONWSA-N	0	0	679.668	2.018	1	70		KEIFRN