smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCNC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043300474	562647471	/nfs/dbraw/zinc/64/74/71/562647471.db2.gz	QOYHILJOTAVUSU-UHFFFAOYSA-N	1	0	525.994	2.774	1	70		KFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1cc(Cl)c(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300612	562647483	/nfs/dbraw/zinc/64/74/83/562647483.db2.gz	KVVYERYNGZLDIF-UHFFFAOYSA-N	1	0	517.370	2.855	1	70		KFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043307443	562647506	/nfs/dbraw/zinc/64/75/06/562647506.db2.gz	SWZUTCFHSJAPMQ-UHFFFAOYSA-N	1	0	510.979	2.981	1	70		KFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCOCCOc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307513	562647486	/nfs/dbraw/zinc/64/74/86/562647486.db2.gz	CIWZBZQOXHVBCN-UHFFFAOYSA-N	1	0	513.979	2.658	1	70		KFIFRO
CC1(C)NC(=[NH2+])NC(=N)N1c1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043307534	562647510	/nfs/dbraw/zinc/64/75/10/562647510.db2.gz	MJRLRPCVNKUSQU-UHFFFAOYSA-N	1	0	510.979	2.981	1	70		KFIFRO
COc1cccc2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ncccc4OS(=O)(=O)C(F)(F)F)CC3)C[N@H+](C)[C@@H]1C2	ZINC000043589893	562650072	/nfs/dbraw/zinc/65/00/72/562650072.db2.gz	HXSFAPIPSVCGNS-SFHLNBCPSA-N	1	0	568.618	2.703	1	70		KFIFRO
C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	ZINC000043606289	562650198	/nfs/dbraw/zinc/65/01/98/562650198.db2.gz	IJHTWXFTMOWFMI-MBOZVWFJSA-N	1	0	596.657	2.699	1	70		KFIFRO
Cc1cc(NC(=O)NCCOc2ccc(N3C(=N)NC(=[NH2+])NC3(C)C)cc2Cl)ccc1S(=O)(=O)F	ZINC000043834237	562650952	/nfs/dbraw/zinc/65/09/52/562650952.db2.gz	JAKSRBURFHPDSU-UHFFFAOYSA-N	1	0	525.994	2.693	1	70		KFIFRO
C[N@@H+]1C[C@H](C(=O)N2CCN(c3ccccn3)CC2)C[C@@H]2Cc3c(cccc3OS(=O)(=O)C(F)(F)F)C[C@H]21	ZINC000044093871	562652356	/nfs/dbraw/zinc/65/23/56/562652356.db2.gz	WDBNJGNBPAMNLP-SFHLNBCPSA-N	1	0	538.592	2.694	1	70		KFIFRO
CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)CS(=O)(=O)F)[C@@H](C)OCc1ccccc1)[C@@H](C)CC	ZINC000095564780	562764461	/nfs/dbraw/zinc/76/44/61/562764461.db2.gz	AARZXIVMSJLYGC-ZNKHQEGQSA-N	1	0	600.798	2.811	1	70		KFIFRO