smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1	ZINC000216932651	568469224	/nfs/dbraw/zinc/46/92/24/568469224.db2.gz	CRUMMXRRQMXUOG-UHFFFAOYSA-N	0	3	421.950	2.746	40	70		HFIBHN
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216941688	568469594	/nfs/dbraw/zinc/46/95/94/568469594.db2.gz	UXLUOTGOICECLG-UHFFFAOYSA-N	0	3	417.531	2.597	40	70		HFIBHN
CN1CCC(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)CC1	ZINC000216947009	568469711	/nfs/dbraw/zinc/46/97/11/568469711.db2.gz	YVTHPUGMTRCWRC-UHFFFAOYSA-N	0	3	422.378	2.750	40	70		HFIBHN
CN1CCC(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1	ZINC000217022294	568470409	/nfs/dbraw/zinc/47/04/09/568470409.db2.gz	GCVMXWYUTFYFGI-UHFFFAOYSA-N	0	3	407.923	2.965	40	70		HFIBHN
COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CC1CCN(C)CC1	ZINC000216898145	568469180	/nfs/dbraw/zinc/46/91/80/568469180.db2.gz	GIRMCZQKVYXDNO-UHFFFAOYSA-N	0	3	409.552	2.540	40	70		HFIBHN
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1C	ZINC000216938548	568469489	/nfs/dbraw/zinc/46/94/89/568469489.db2.gz	VMKQUYCYGQLKOO-UHFFFAOYSA-N	0	3	404.532	2.955	40	70		HFIBHN
C[NH+]1CCC(Oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)cc2)CC1	ZINC000216941560	568469566	/nfs/dbraw/zinc/46/95/66/568469566.db2.gz	WRYJNUSJHILWAX-UHFFFAOYSA-N	0	3	404.488	2.732	40	70		HFIBHN
COc1ccc(S(=O)(=O)[N-]c2ccc(OC3CC[NH+](C)CC3)cc2)cc1OC	ZINC000216941496	568469606	/nfs/dbraw/zinc/46/96/06/568469606.db2.gz	DHGSMCCSPWSZHI-UHFFFAOYSA-N	0	3	406.504	2.978	40	70		HFIBHN
Cc1ccc([N-]S(=O)(=O)c2ccc(CCC(=O)NC3CC[NH+](C)CC3)cc2)cc1	ZINC000216840139	568468174	/nfs/dbraw/zinc/46/81/74/568468174.db2.gz	CMHZCXUWHYBKHO-UHFFFAOYSA-N	0	3	415.559	2.939	40	70		HFIBHN
COc1cc(OC)cc(OCC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)c1	ZINC000217010565	568470126	/nfs/dbraw/zinc/47/01/26/568470126.db2.gz	NJTVZQLRUIAJGI-UHFFFAOYSA-N	0	3	414.502	2.872	40	70		HFIBHN
CN1CCC(Oc2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3)cc2)CC1	ZINC000216940096	568469467	/nfs/dbraw/zinc/46/94/67/568469467.db2.gz	GNICFQDDDSDRRN-UHFFFAOYSA-N	0	3	403.504	2.783	40	70		HFIBHN
CCc1ccccc1N(CC(=O)NC1CCN(C)CC1)S(=O)(=O)c1ccccc1	ZINC000216932465	568469259	/nfs/dbraw/zinc/46/92/59/568469259.db2.gz	REFICSDXTPZXAM-UHFFFAOYSA-N	0	3	415.559	2.655	40	70		HFIBHN
CCc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1	ZINC000216937279	568469469	/nfs/dbraw/zinc/46/94/69/568469469.db2.gz	AQCWXJGDOYWUFR-UHFFFAOYSA-N	0	3	415.559	2.655	40	70		HFIBHN
Cc1ccc(N(CC(=O)NC2CCN(C)CC2)S(=O)(=O)c2ccccc2)cc1C	ZINC000216932408	568469311	/nfs/dbraw/zinc/46/93/11/568469311.db2.gz	CBAGJKLZOBLTLZ-UHFFFAOYSA-N	0	3	415.559	2.709	40	70		HFIBHN
Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)NC2CCN(C)CC2)cc1	ZINC000216938886	568469460	/nfs/dbraw/zinc/46/94/60/568469460.db2.gz	ZWGSENUPXKAAIT-UHFFFAOYSA-N	0	3	401.532	2.644	40	70		HFIBHN
CN1CCC(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)CC1	ZINC000216937480	568469480	/nfs/dbraw/zinc/46/94/80/568469480.db2.gz	OICBPLOUSXZJIZ-UHFFFAOYSA-N	0	3	421.950	2.746	40	70		HFIBHN
CN(c1ccccc1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1)S(C)(=O)=O	ZINC000216938722	568469486	/nfs/dbraw/zinc/46/94/86/568469486.db2.gz	NWABJQUMMUFASG-UHFFFAOYSA-N	0	3	417.531	2.808	40	70		HFIBHN
CN1CCC(Oc2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)CC1	ZINC000216943945	568469589	/nfs/dbraw/zinc/46/95/89/568469589.db2.gz	IYYFFVHKVWOMFA-UHFFFAOYSA-N	0	3	403.504	2.783	40	70		HFIBHN
COc1ccc(NC(=O)CC2CCN(C)CC2)cc1S(=O)(=O)N1CCCCC1	ZINC000216898047	568469116	/nfs/dbraw/zinc/46/91/16/568469116.db2.gz	RLVXFONOPRPTDI-UHFFFAOYSA-N	0	3	409.552	2.540	40	70		HFIBHN
CC(C)c1ccc(OCC(=O)NCCCN2CCN(C)CC2)c(Br)c1	ZINC000217010031	568470236	/nfs/dbraw/zinc/47/02/36/568470236.db2.gz	QLTQCGVODGNWES-UHFFFAOYSA-N	0	3	412.372	2.705	40	70		HFIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)C2CCCCC2)cc1	ZINC000216797909	568467831	/nfs/dbraw/zinc/46/78/31/568467831.db2.gz	ACNOIIZHXWQPDF-UHFFFAOYSA-N	0	3	407.580	2.529	40	70		HFIBHN
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1F	ZINC000217020881	568470151	/nfs/dbraw/zinc/47/01/51/568470151.db2.gz	XRYOWGKNDCUWSE-UHFFFAOYSA-N	0	3	408.495	2.786	40	70		HFIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2cccc(C)c2)cc1	ZINC000216933341	568469307	/nfs/dbraw/zinc/46/93/07/568469307.db2.gz	JNXDZDVPLDZTSI-UHFFFAOYSA-N	0	3	415.559	2.709	40	70		HFIBHN
CN1CCN(CCCNC(=O)COc2ccc3ccccc3c2Br)CC1	ZINC000217010805	568470185	/nfs/dbraw/zinc/47/01/85/568470185.db2.gz	LEVUVFXHKWHRIT-UHFFFAOYSA-N	0	3	420.351	2.735	40	70		HFIBHN
COc1ccc(S(=O)(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1OC	ZINC000216941523	568469601	/nfs/dbraw/zinc/46/96/01/568469601.db2.gz	MYLWMMSPJUCAGP-UHFFFAOYSA-N	0	3	420.531	2.655	40	70		HFIBHN
Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)c2ccccc2C)cc1	ZINC000216933274	568469301	/nfs/dbraw/zinc/46/93/01/568469301.db2.gz	NSGHZMKVFGPZEO-UHFFFAOYSA-N	0	3	415.559	2.709	40	70		HFIBHN
COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217017980	568470075	/nfs/dbraw/zinc/47/00/75/568470075.db2.gz	CNLZSHRQCBEIQU-UHFFFAOYSA-N	0	3	418.515	2.888	40	70		HFIBHN