smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1OC	ZINC000216800709	569879441	/nfs/dbraw/zinc/87/94/41/569879441.db2.gz	BQZGTRGSFSDHQY-UHFFFAOYSA-N	0	3	475.611	2.148	40	70		JEIBHN
COc1ccc(Cl)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCN(C)CC1	ZINC000216821211	569879607	/nfs/dbraw/zinc/87/96/07/569879607.db2.gz	ZGIBSNQVYPCJRE-IBGZPJMESA-N	0	3	466.003	2.449	40	70		JEIBHN
COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1	ZINC000216800899	569879412	/nfs/dbraw/zinc/87/94/12/569879412.db2.gz	YQCDYBVSHKQJBY-UHFFFAOYSA-N	0	3	477.583	2.118	40	70		JEIBHN
COc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)cc1	ZINC000216812950	569879463	/nfs/dbraw/zinc/87/94/63/569879463.db2.gz	YLMUMYYXZRZRGG-UHFFFAOYSA-N	0	3	461.584	2.418	40	70		JEIBHN
COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)NC2CCN(C)CC2)cc1C	ZINC000216811914	569879531	/nfs/dbraw/zinc/87/95/31/569879531.db2.gz	OGIRUGQZNFAHID-UHFFFAOYSA-N	0	3	459.612	2.447	40	70		JEIBHN
Cn1c(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc(=O)c(O)c1CN1CCc2ccccc2C1	ZINC000217568903	569880304	/nfs/dbraw/zinc/88/03/04/569880304.db2.gz	UCGOKQRIMIPUEN-SIKLNZKXSA-N	0	3	472.589	2.430	40	70		JEIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCC(=O)Nc2cccc(S(=O)(=O)F)c2)c(Cl)c1	ZINC000043620392	563170782	/nfs/dbraw/zinc/17/07/82/563170782.db2.gz	NFXOUTIYKMHBBL-UHFFFAOYSA-N	0	3	482.925	2.201	40	70		JEIBHN
COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1Cl	ZINC000216820177	569879589	/nfs/dbraw/zinc/87/95/89/569879589.db2.gz	ALXBEJGNNXLNBI-FQEVSTJZSA-N	0	3	466.003	2.449	40	70		JEIBHN
COc1ccc(Cl)cc1S(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC1CCN(C)CC1	ZINC000216821250	569879625	/nfs/dbraw/zinc/87/96/25/569879625.db2.gz	ZGIBSNQVYPCJRE-LJQANCHMSA-N	0	3	466.003	2.449	40	70		JEIBHN
COc1ccc(CC2(CN3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)C(=O)OC(C)(C)OC2=O)cc1	ZINC000217469613	569880073	/nfs/dbraw/zinc/88/00/73/569880073.db2.gz	CANLEWXPTZODFA-RBUKOAKNSA-N	0	3	466.534	2.341	40	70		JEIBHN
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1OC	ZINC000216800531	569879425	/nfs/dbraw/zinc/87/94/25/569879425.db2.gz	UEEZZICSJBAMCA-UHFFFAOYSA-N	0	3	461.584	2.105	40	70		JEIBHN
CC1(C)NC(=N)NC(=N)N1c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)F)cc2)c(Cl)c1	ZINC000043300452	563169339	/nfs/dbraw/zinc/16/93/39/563169339.db2.gz	QADXPABWHTZYHG-UHFFFAOYSA-N	0	3	482.925	2.201	40	70		JEIBHN
COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)cc1OC	ZINC000216801074	569879396	/nfs/dbraw/zinc/87/93/96/569879396.db2.gz	BWNNVBDJVGNRDI-UHFFFAOYSA-N	0	3	453.605	2.238	40	70		JEIBHN
COc1cccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2cc(C)ccc2OC)c1	ZINC000216813451	569879517	/nfs/dbraw/zinc/87/95/17/569879517.db2.gz	CGBDVECITYWZPC-UHFFFAOYSA-N	0	3	461.584	2.418	40	70		JEIBHN
COc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)NC2CCN(C)CC2)cc1Cl	ZINC000216820209	569879557	/nfs/dbraw/zinc/87/95/57/569879557.db2.gz	ALXBEJGNNXLNBI-HXUWFJFHSA-N	0	3	466.003	2.449	40	70		JEIBHN