smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCNC(=O)c1ccc(N2CC[NH+](C)CC2)c(S(=O)(=O)NCC)c1	ZINC000216792486	132271696	/nfs/dbraw/zinc/27/16/96/132271696.db2.gz	MURYSEJJLBTBBD-UHFFFAOYSA-N	1	2	354.476	0.486	40	70		FCIBLO
COC[C@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216858932	206361356	/nfs/dbraw/zinc/36/13/56/206361356.db2.gz	DLHCXFUWPFDLNW-AWEZNQCLSA-N	1	2	369.487	0.696	40	70		FCIBLO
COc1ccc(C(=O)NC(C)C)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216783034	206361513	/nfs/dbraw/zinc/36/15/13/206361513.db2.gz	SAPMLQAWFCUGSD-UHFFFAOYSA-N	1	2	355.460	0.770	40	70		FCIBLO
CCNS(=O)(=O)c1cc(C(=O)NC(C)C)ccc1N1CC[NH+](C)CC1	ZINC000216792547	535497895	/nfs/dbraw/zinc/49/78/95/535497895.db2.gz	FOSZXDOELBKNLR-UHFFFAOYSA-N	1	2	368.503	0.875	40	70		FCIBLO
COC[C@H](C)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216867785	206360819	/nfs/dbraw/zinc/36/08/19/206360819.db2.gz	RADVSCOOHFDOPU-ZDUSSCGKSA-N	1	2	355.460	0.387	40	70		FCIBLO
COC[C@@H](C)NC(=O)c1cccc(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216867758	488441495	/nfs/dbraw/zinc/44/14/95/488441495.db2.gz	RADVSCOOHFDOPU-CYBMUJFWSA-N	1	2	355.460	0.387	40	70		FCIBLO
CNS(=O)(=O)c1cc(C(=O)NC(C)C)ccc1N1CC[NH+](C)CC1	ZINC000216789261	132271538	/nfs/dbraw/zinc/27/15/38/132271538.db2.gz	XRHXLHNYHOYADW-UHFFFAOYSA-N	1	2	354.476	0.485	40	70		FCIBLO
CNS(=O)(=O)c1cc(C(=O)N2CCCC2)ccc1N1CC[NH+](C)CC1	ZINC000216792000	132271592	/nfs/dbraw/zinc/27/15/92/132271592.db2.gz	UMQSYLXMGPPUIY-UHFFFAOYSA-N	1	2	366.487	0.583	40	70		FCIBLO
COCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216853901	488441617	/nfs/dbraw/zinc/44/16/17/488441617.db2.gz	AEWKAVGJSBITRF-UHFFFAOYSA-N	1	2	355.460	0.307	40	70		FCIBLO
Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216853784	488441749	/nfs/dbraw/zinc/44/17/49/488441749.db2.gz	SZBMDWUBPJWBRR-UHFFFAOYSA-N	1	2	367.471	0.404	40	70		FCIBLO
CCN(c1ccc(C(=O)NCC[NH+]2CCOCC2)cc1)S(C)(=O)=O	ZINC000218776807	488443074	/nfs/dbraw/zinc/44/30/74/488443074.db2.gz	MLACSUZKXGMUGG-UHFFFAOYSA-N	1	2	355.460	0.535	40	70		FCIBLO
COCCCNC(=O)c1cc(S(=O)(=O)N2CC[NH+](C)CC2)ccc1C	ZINC000216860472	523364698	/nfs/dbraw/zinc/36/46/98/523364698.db2.gz	YQPGSIJLUIHRNV-UHFFFAOYSA-N	1	2	369.487	0.697	40	70		FCIBLO
COc1ccc(C(=O)N2CCCC2)cc1S(=O)(=O)N1CC[NH+](C)CC1	ZINC000216785875	488441638	/nfs/dbraw/zinc/44/16/38/488441638.db2.gz	CAMYOMQNPZCOPG-UHFFFAOYSA-N	1	2	367.471	0.867	40	70		FCIBLO
COC[C@@H](C)NC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216858906	488441832	/nfs/dbraw/zinc/44/18/32/488441832.db2.gz	DLHCXFUWPFDLNW-CQSZACIVSA-N	1	2	369.487	0.696	40	70		FCIBLO
COCCCNC(=O)c1ccc(C)c(S(=O)(=O)N2CC[NH+](C)CC2)c1	ZINC000216853946	523366695	/nfs/dbraw/zinc/36/66/95/523366695.db2.gz	KPVHMXIIBCJBBD-UHFFFAOYSA-N	1	2	369.487	0.697	40	70		FCIBLO
CNS(=O)(=O)c1cc(C(=O)NC(C)(C)C)ccc1N1CC[NH+](C)CC1	ZINC000216789325	132271464	/nfs/dbraw/zinc/27/14/64/132271464.db2.gz	PHHHZIJEDISOJM-UHFFFAOYSA-N	1	2	368.503	0.875	40	70		FCIBLO