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(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785612	569879303	/nfs/dbraw/zinc/87/93/03/569879303.db2.gz	WFMICOUMKDXZQQ-UHFFFAOYSA-N	1	2	468.557	0.531	40	70		JCIBLO
COc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cc1C(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000216788622	569879259	/nfs/dbraw/zinc/87/92/59/569879259.db2.gz	HVFHPMJDNCOYFL-UHFFFAOYSA-N	1	2	468.557	0.531	40	70		JCIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216791750	569879278	/nfs/dbraw/zinc/87/92/78/569879278.db2.gz	SJMGYHXPLDGCJN-UHFFFAOYSA-N	1	2	467.573	0.246	40	70		JCIBLO
CCNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2)ccc1N1CC[NH+](C)CC1	ZINC000216794881	569879398	/nfs/dbraw/zinc/87/93/98/569879398.db2.gz	YFDCJARCVFVPHP-UHFFFAOYSA-N	1	2	481.600	0.636	40	70		JCIBLO
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216806950	569879481	/nfs/dbraw/zinc/87/94/81/569879481.db2.gz	UOYCYFQXQQCDIF-UHFFFAOYSA-N	1	2	496.611	0.891	40	70		JCIBLO
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000216828794	569879629	/nfs/dbraw/zinc/87/96/29/569879629.db2.gz	XWXUEYXQNLWFDQ-MRXNPFEDSA-N	1	2	458.606	0.623	40	70		JCIBLO
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)C1	ZINC000216828828	569879623	/nfs/dbraw/zinc/87/96/23/569879623.db2.gz	XWXUEYXQNLWFDQ-INIZCTEOSA-N	1	2	458.606	0.623	40	70		JCIBLO
CN(C)S(=O)(=O)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)cc1	ZINC000216834770	569879689	/nfs/dbraw/zinc/87/96/89/569879689.db2.gz	KKQAICROTRGHHZ-UHFFFAOYSA-N	1	2	496.611	0.891	40	70		JCIBLO
CNS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CC[NH+](C)CC3)cc2)ccc1OC	ZINC000216841405	569879780	/nfs/dbraw/zinc/87/97/80/569879780.db2.gz	UARUKZDRCCHVMA-UHFFFAOYSA-N	1	2	482.584	0.792	40	70		JCIBLO
COC(=O)C[C@@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217802985	569881726	/nfs/dbraw/zinc/88/17/26/569881726.db2.gz	IAVIOSIECRAVBW-CROMWVBPSA-N	1	2	453.451	0.882	40	70		JCIBLO
COC(=O)C[C@@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217802985	569881725	/nfs/dbraw/zinc/88/17/25/569881725.db2.gz	IAVIOSIECRAVBW-CROMWVBPSA-N	1	2	453.451	0.882	40	70		JCIBLO
COC(=O)C[C@]12C(=O)NCC[N@@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217803065	569881661	/nfs/dbraw/zinc/88/16/61/569881661.db2.gz	IAVIOSIECRAVBW-GBPOLFSSSA-N	1	2	453.451	0.882	40	70		JCIBLO
COC(=O)C[C@]12C(=O)NCC[N@H+]1[C@@H](c1ccco1)[C@@H]1C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]12	ZINC000217803065	569881660	/nfs/dbraw/zinc/88/16/60/569881660.db2.gz	IAVIOSIECRAVBW-GBPOLFSSSA-N	1	2	453.451	0.882	40	70		JCIBLO