smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+](CC)CCn1nc2c3c1ccc(NCC[NH+]1CCOCC1)c3C(=O)c1ccccc1-2	ZINC000028759644	563063609	/nfs/dbraw/zinc/06/36/09/563063609.db2.gz	DSBFQKWGMMGSTP-UHFFFAOYSA-N	2	2	447.583	3.334	1	10		IGCFLP
Cc1cc2c(o1)c(NCC[NH+](C)C)c1c(c2NCC[NH+](C)C)C(=O)c2ccccc2C1=O	ZINC000066066005	563157038	/nfs/dbraw/zinc/15/70/38/563157038.db2.gz	CKWASGQMRNVGEM-UHFFFAOYSA-N	2	2	434.540	3.464	1	10		IGCFLP
COc1ccc(N2CC[NH+](CCCCNC(=O)c3ccc(-n4cc[nH+]c4)cc3)CC2)cc1	ZINC000040861035	563108020	/nfs/dbraw/zinc/10/80/20/563108020.db2.gz	RLJNOVFKZCYMTH-UHFFFAOYSA-N	2	2	433.556	3.213	1	10	in-vitro	IGCFLP
C[NH+](C)CCn1nc2c3c1ccc(NCC/C=C/CC[NH+]1CC1)c3C(=O)c1ccncc1-2	ZINC000095586550	563189304	/nfs/dbraw/zinc/18/93/04/563189304.db2.gz	OHYWXRFHVAUUOW-ONEGZZNKSA-N	2	2	430.556	3.268	1	10		IGCFLP
C[NH+](C)CCn1nc2c3c1ccc(NCC/C=C\CC[NH+]1CC1)c3C(=O)c1ccncc1-2	ZINC000095588901	563189479	/nfs/dbraw/zinc/18/94/79/563189479.db2.gz	OHYWXRFHVAUUOW-ARJAWSKDSA-N	2	2	430.556	3.268	1	10		IGCFLP
COc1ccc(N2CC[NH+](Cc3cn(-c4cc(C)[nH+]c5ccc(OC)cc54)nn3)CC2)cc1	ZINC000064510688	563154014	/nfs/dbraw/zinc/15/40/14/563154014.db2.gz	KEKPAYMIDZZACY-UHFFFAOYSA-N	2	2	444.539	3.463	1	10		IGCFLP
C[NH+](C)CCn1nc2c3c1ccc(NCCCCCC[NH+]1CC1)c3C(=O)c1ccncc1-2	ZINC000095590411	563189987	/nfs/dbraw/zinc/18/99/87/563189987.db2.gz	GRCPSNKHDDMKCB-UHFFFAOYSA-N	2	2	432.572	3.492	1	10		IGCFLP