smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+]1CCC(NC(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1	ZINC000217021939	568470356	/nfs/dbraw/zinc/47/03/56/568470356.db2.gz	XTHGVRSJWNDEPL-UHFFFAOYSA-N	0	1	407.923	2.965	40	70		HFIBMN
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12)CC3	ZINC000217407621	568472041	/nfs/dbraw/zinc/47/20/41/568472041.db2.gz	FAHKQVDBQYDALV-ZWKOTPCHSA-N	0	1	416.525	2.642	40	70		HFIBMN
COc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]2)cc1OC	ZINC000217987555	568474431	/nfs/dbraw/zinc/47/44/31/568474431.db2.gz	LKPHQANQHCIRMC-GOEBONIOSA-N	0	1	420.469	2.515	40	70		HFIBMN
C[NH+]1CCC(NC(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1	ZINC000217021704	568470155	/nfs/dbraw/zinc/47/01/55/568470155.db2.gz	LXSHWBZXOQBJFI-UHFFFAOYSA-N	0	1	407.923	2.965	40	70		HFIBMN
C[NH+]1CCC(CCNC(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1	ZINC000216944043	568469568	/nfs/dbraw/zinc/46/95/68/568469568.db2.gz	MPTHEIFTYDUQRG-UHFFFAOYSA-N	0	1	401.532	2.949	40	70		HFIBMN
COc1ccc(C(=O)N2CCN(C)CC2)cc1NS(=O)(=O)c1ccc(Cl)cc1	ZINC000216844599	568468242	/nfs/dbraw/zinc/46/82/42/568468242.db2.gz	KAWQSKVYIMGAFR-UHFFFAOYSA-N	0	1	423.922	2.537	40	70		HFIBMN
Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NC2CC[NH+](C)CC2)ccc1C	ZINC000216940422	568469447	/nfs/dbraw/zinc/46/94/47/568469447.db2.gz	IGNXXASDIOQLPL-UHFFFAOYSA-N	0	1	401.532	2.928	40	70		HFIBMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC3CC[NH+](C)CC3)cc2C)cc1	ZINC000216944746	568469636	/nfs/dbraw/zinc/46/96/36/568469636.db2.gz	BHPULFRDHYSPDG-UHFFFAOYSA-N	0	1	401.532	2.928	40	70		HFIBMN
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC3CC[NH+](C)CC3)c2C)cc1	ZINC000216944320	568469641	/nfs/dbraw/zinc/46/96/41/568469641.db2.gz	ZIGWKBPWJZYGPN-UHFFFAOYSA-N	0	1	401.532	2.928	40	70		HFIBMN
CN1CCN(c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)CC1	ZINC000217022693	568470413	/nfs/dbraw/zinc/47/04/13/568470413.db2.gz	AWBKMIZHBJRKLJ-UHFFFAOYSA-N	0	1	422.938	2.716	40	70		HFIBMN
COc1ccc2c(c1)CCc1c(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]c1-2	ZINC000217952117	568474312	/nfs/dbraw/zinc/47/43/12/568474312.db2.gz	SNRYBEQUNMRPHT-GOEBONIOSA-N	0	1	416.481	2.605	40	70		HFIBMN