smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(CC)c1ccc(C=[NH+]Nc2c(Cl)cc(Cl)cc2Cl)c(O)c1	ZINC000005794862	520881717	/nfs/dbraw/zinc/88/17/17/520881717.db2.gz	XXHNALLWJAHILA-UFFVCSGVSA-N	1	2	386.710	5.645	10	30		GKEELO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2C)o1	ZINC000036203170	518586998	/nfs/dbraw/zinc/58/69/98/518586998.db2.gz	JJLHYXDSSYUYAE-UHFFFAOYSA-N	1	2	391.511	5.723	10	30		GKEELO
C=C(C)C(O)(C(=C)C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2C)o1	ZINC000036203170	518587003	/nfs/dbraw/zinc/58/70/03/518587003.db2.gz	JJLHYXDSSYUYAE-UHFFFAOYSA-N	1	2	391.511	5.723	10	30		GKEELO
CC(=[NH+]Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)Nc1ccccc1S2	ZINC000004868820	204084877	/nfs/dbraw/zinc/08/48/77/204084877.db2.gz	FBNMBAWDYIJJMH-LPYMAVHISA-N	1	2	376.441	5.639	10	30		GKEELO
Clc1ccc2c(NC(=NC3CCCCC3)Nc3nccs3)cc[nH+]c2c1	ZINC000026145380	212158840	/nfs/dbraw/zinc/15/88/40/212158840.db2.gz	GXGLKEVEEXFXIV-UHFFFAOYSA-N	1	2	385.924	5.367	10	30		GKEELO
C=CCC(O)(CC=C)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2)o1	ZINC000036157141	518687647	/nfs/dbraw/zinc/68/76/47/518687647.db2.gz	HAHYQWKKFBZNTI-UHFFFAOYSA-N	1	2	377.484	5.415	10	30		GKEELO
C=CCC(O)(CC=C)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2)o1	ZINC000036157141	518687653	/nfs/dbraw/zinc/68/76/53/518687653.db2.gz	HAHYQWKKFBZNTI-UHFFFAOYSA-N	1	2	377.484	5.415	10	30		GKEELO
CC(C)CCN1c2ccccc2C(=NNc2cc[nH+]c3cc(Cl)ccc23)C1=O	ZINC000012577097	519654174	/nfs/dbraw/zinc/65/41/74/519654174.db2.gz	RDHJAGNSSKFHSS-YYADALCUSA-N	1	2	392.890	5.097	10	30		GKEELO
C=CCn1cc(C[N@H+](Cc2cccnc2)Cc2ccccc2F)c2ccccc21	ZINC000013569011	519276649	/nfs/dbraw/zinc/27/66/49/519276649.db2.gz	QUFHEINXQVXGBM-UHFFFAOYSA-N	1	2	385.486	5.564	10	30		GKEELO
C=CCn1cc(C[N@@H+](Cc2cccnc2)Cc2ccccc2F)c2ccccc21	ZINC000013569011	519276657	/nfs/dbraw/zinc/27/66/57/519276657.db2.gz	QUFHEINXQVXGBM-UHFFFAOYSA-N	1	2	385.486	5.564	10	30		GKEELO
CCC(=NNc1cc[nH+]c2cc(Cl)ccc12)c1ccc(OC(F)F)cc1	ZINC000059347572	520176364	/nfs/dbraw/zinc/17/63/64/520176364.db2.gz	MUHJGAZDKNXFEJ-JLPGSUDCSA-N	1	2	375.806	5.716	10	30		GKEELO
O=C(/C(=C/c1ccc(Cl)cc1Cl)n1cc[nH+]c1)c1ccc(Cl)cc1	ZINC000003914190	570936175	/nfs/dbraw/zinc/93/61/75/570936175.db2.gz	NHUBNGBTNGRPMH-MFOYZWKCSA-N	1	2	377.658	5.724	10	30	investigational	GKEELO