smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(OC)c1OC	ZINC000216931489	568469319	/nfs/dbraw/zinc/46/93/19/568469319.db2.gz	PMDFGMZBOYEQNB-WUXMJOGZSA-N	0	1	411.502	3.116	40	70		HGIBMN
CC(C)Oc1ccc(-c2cc(C(=O)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)n[nH]2)cc1	ZINC000218057954	568474889	/nfs/dbraw/zinc/47/48/89/568474889.db2.gz	CQACPCBXEVQIFL-FUHWJXTLSA-N	0	1	418.497	3.285	40	70		HGIBMN
Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940638	568469419	/nfs/dbraw/zinc/46/94/19/568469419.db2.gz	HWQJNYBXESWJEZ-UHFFFAOYSA-N	0	1	415.559	3.237	40	70		HGIBMN
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1C	ZINC000216940534	568469406	/nfs/dbraw/zinc/46/94/06/568469406.db2.gz	LOFARMUCDLVVMR-UHFFFAOYSA-N	0	1	415.559	3.237	40	70		HGIBMN
COc1cccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)c1	ZINC000217569758	568472931	/nfs/dbraw/zinc/47/29/31/568472931.db2.gz	WUSTVAJLTKMPTL-IXFSTUDKSA-N	0	1	421.541	3.271	40	70		HGIBMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(N)=O)cc1	ZINC000218413477	568480059	/nfs/dbraw/zinc/48/00/59/568480059.db2.gz	PQAWMFPTWYGILY-UHFFFAOYSA-N	0	1	409.467	3.147	40	70		HGIBMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NC3CC[NH+](C)CC3)c2)cc1	ZINC000217021816	568470087	/nfs/dbraw/zinc/47/00/87/568470087.db2.gz	UUBFNYNBHZEMKO-UHFFFAOYSA-N	0	1	421.950	3.273	40	70		HGIBMN
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC3CC[NH+](C)CC3)cc2)cc1	ZINC000216940180	568469427	/nfs/dbraw/zinc/46/94/27/568469427.db2.gz	DGMPPIQVCWKUTF-UHFFFAOYSA-N	0	1	415.559	3.258	40	70		HGIBMN
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000216944525	568469561	/nfs/dbraw/zinc/46/95/61/568469561.db2.gz	RJDQQSVMZNAWPH-UHFFFAOYSA-N	0	1	415.559	3.258	40	70		HGIBMN
Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)c1	ZINC000216940684	568469453	/nfs/dbraw/zinc/46/94/53/568469453.db2.gz	XBFNZOSPXQRFHE-UHFFFAOYSA-N	0	1	415.559	3.237	40	70		HGIBMN
CN1CCN(c2ccc(NC(=O)CN3c4cccc5cccc(c45)C3=O)cc2)CC1	ZINC000218322344	568478387	/nfs/dbraw/zinc/47/83/87/568478387.db2.gz	KFTPOOWYWOGXAP-UHFFFAOYSA-N	0	1	400.482	3.191	40	70		HGIBMN
Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)cc1S(=O)(=O)[N-]c1ccccc1	ZINC000216940394	568469494	/nfs/dbraw/zinc/46/94/94/568469494.db2.gz	LLSKSRWVTJSNHA-UHFFFAOYSA-N	0	1	415.559	3.258	40	70		HGIBMN
Cc1c([N-]S(=O)(=O)c2ccccc2)cccc1C(=O)NCCC1CC[NH+](C)CC1	ZINC000216944295	568469613	/nfs/dbraw/zinc/46/96/13/568469613.db2.gz	JHAJHVTVNJUCBD-UHFFFAOYSA-N	0	1	415.559	3.258	40	70		HGIBMN
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC3CC[NH+](C)CC3)c2)cc1	ZINC000216944097	568469596	/nfs/dbraw/zinc/46/95/96/568469596.db2.gz	PDMQJIJPYPQMMK-UHFFFAOYSA-N	0	1	415.559	3.258	40	70		HGIBMN
COc1ccc(NC(=O)[C@H]2CC[C@H](CNC(=O)[C@@H]3Cc4ccccc4CN3)CC2)cc1	ZINC000217601988	568473013	/nfs/dbraw/zinc/47/30/13/568473013.db2.gz	SRGJAYPBAXKOSF-IXFSTUDKSA-N	0	1	421.541	3.271	40	70		HGIBMN
Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2C)cc1C	ZINC000216940590	568469498	/nfs/dbraw/zinc/46/94/98/568469498.db2.gz	GHWQJPSARPYYPE-UHFFFAOYSA-N	0	1	415.559	3.237	40	70		HGIBMN
CN1CCN(c2ccc(NS(=O)(=O)Cc3ccc(Br)cc3)cc2)CC1	ZINC000216948990	568469707	/nfs/dbraw/zinc/46/97/07/568469707.db2.gz	FONLWBYKVJAAGN-UHFFFAOYSA-N	0	1	424.364	3.143	40	70		HGIBMN