smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]1CC[C@H]2[C@@H](C)[C@@H](Oc3ccc(C[NH+]4CCN(c5ccccc5)CC4)cc3)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4	ZINC000217119877	562877535	/nfs/dbraw/zinc/87/75/35/562877535.db2.gz	VGLJPLXJYBFXJP-RTJBLCNUSA-N	1	0	534.697	5.596	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O	ZINC000073224166	717134418	/nfs/dbraw/zinc/13/44/18/717134418.db2.gz	HATGMDBEGOXIBK-DQRYEYLNSA-N	1	0	592.185	5.323	1	50		KKGFRO
Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O	ZINC000073224678	717134109	/nfs/dbraw/zinc/13/41/09/717134109.db2.gz	OBPYGAPASOAGMQ-NRFANRHFSA-N	1	0	560.184	5.060	1	50		KKGFRO
Cn1c(C[N+](C)(C)CCCCCCC(=O)N2C[C@@H](CCl)c3c2cc(N)c2ccccc32)ccc1S(C)(=O)=O	ZINC000073224679	717134351	/nfs/dbraw/zinc/13/43/51/717134351.db2.gz	OBPYGAPASOAGMQ-OAQYLSRUSA-N	1	0	560.184	5.060	1	50		KKGFRO
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CC[N+]1(C)CCl)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3	ZINC000238749877	717162605	/nfs/dbraw/zinc/16/26/05/717162605.db2.gz	CLZXVJIVXLPLPS-UITGYBSKSA-N	1	0	672.242	7.874	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC	ZINC000001652330	717089032	/nfs/dbraw/zinc/08/90/32/717089032.db2.gz	NZYSPCVQTVQPEK-FQEVSTJZSA-O	1	0	580.061	5.852	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000073224163	717134186	/nfs/dbraw/zinc/13/41/86/717134186.db2.gz	NQYXTDOIKZSGRP-UXZSZYKQSA-N	1	0	559.090	5.828	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC	ZINC000073369812	717134430	/nfs/dbraw/zinc/13/44/30/717134430.db2.gz	JXLIAWMDERFVAR-FQEVSTJZSA-O	1	0	633.125	6.344	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1S(C)(=O)=O	ZINC000073224165	717134454	/nfs/dbraw/zinc/13/44/54/717134454.db2.gz	HATGMDBEGOXIBK-RQOTYCFOSA-N	1	0	592.185	5.323	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC	ZINC000005844028	717102972	/nfs/dbraw/zinc/10/29/72/717102972.db2.gz	TVEMWUHYCGTRLW-HXUWFJFHSA-O	1	0	580.061	5.852	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000073278889	717134212	/nfs/dbraw/zinc/13/42/12/717134212.db2.gz	NNGASWAALMEXJF-UXZSZYKQSA-O	1	0	560.074	5.951	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@H](CCl)c4ccc([N+](C)(C)Cc5ccc([N+](=O)[O-])cc5)cc43)[nH]c2c(OC)c1OC	ZINC000001652331	717089457	/nfs/dbraw/zinc/08/94/57/717089457.db2.gz	TVEMWUHYCGTRLW-FQEVSTJZSA-O	1	0	580.061	5.852	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(N)c3ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000073224164	717134178	/nfs/dbraw/zinc/13/41/78/717134178.db2.gz	NQYXTDOIKZSGRP-MEWQITQSSA-N	1	0	559.090	5.828	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4c3cc([N+](C)(C)Cc3ccc([N+](=O)[O-])n3C)c3ccccc43)[nH]c2c(OC)c1OC	ZINC000005923018	717102807	/nfs/dbraw/zinc/10/28/07/717102807.db2.gz	JXLIAWMDERFVAR-HXUWFJFHSA-O	1	0	633.125	6.344	1	50		KKGFRO
Cn1c(C[N+](C)(C)Cc2ccc(/C=C/C(=O)N3C[C@@H](CCl)c4c3cc(O)c3ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000073278894	717134064	/nfs/dbraw/zinc/13/40/64/717134064.db2.gz	NNGASWAALMEXJF-MEWQITQSSA-O	1	0	560.074	5.951	1	50		KKGFRO
COc1cc2cc(C(=O)N3C[C@@H](CCl)c4ccc([N+](C)(C)Cc5ccccc5[N+](=O)[O-])cc43)[nH]c2c(OC)c1OC	ZINC000005844024	717102857	/nfs/dbraw/zinc/10/28/57/717102857.db2.gz	NZYSPCVQTVQPEK-HXUWFJFHSA-O	1	0	580.061	5.852	1	50		KKGFRO