smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCS(=O)(=O)c1nc2ccc(NS(=O)(=O)c3cnn(CC)c3)cc2s1	ZINC000033299063	559048388	/nfs/dbraw/zinc/04/83/88/559048388.db2.gz	CWMRMVQACGEJSG-UHFFFAOYSA-N	0	2	414.534	2.497	10	0		HEAELN
N=c1occ(C(=O)c2cc(Br)ccc2O)cc1C(=O)NC[C@H]1CCCO1	ZINC000004489158	558610758	/nfs/dbraw/zinc/61/07/58/558610758.db2.gz	GHSNNVVZCSXWGC-GFCCVEGCSA-N	0	2	421.247	2.367	10	0		HEAELN
N=c1occ(C(=O)c2cc(Br)ccc2O)cc1C(=O)NC[C@@H]1CCCO1	ZINC000009443547	571259407	/nfs/dbraw/zinc/25/94/07/571259407.db2.gz	GHSNNVVZCSXWGC-LBPRGKRZSA-N	0	2	421.247	2.367	10	0		HEAELN
CCN(CC)C(=O)C[NH+]1CCN(c2ccc(NC(=O)C3CCC3)c(C(=O)[O-])c2)CC1	ZINC000035482718	535432998	/nfs/dbraw/zinc/43/29/98/535432998.db2.gz	REHHBZDQKPICGT-UHFFFAOYSA-N	0	2	416.522	2.114	10	0		HEAELN
O=C(CCc1nnc(Cc2ccc3c(c2)OCO3)[nH]c1=O)NCCc1ccccc1	ZINC000034768506	558783781	/nfs/dbraw/zinc/78/37/81/558783781.db2.gz	OPTUOCMDYYTQEV-UHFFFAOYSA-N	0	2	406.442	2.188	10	0		HEAELN
CC(C)CC(=O)Nc1ccc(N2CC[NH+](CC(=O)N3CCCC3)CC2)cc1C(=O)[O-]	ZINC000064589818	558349589	/nfs/dbraw/zinc/34/95/89/558349589.db2.gz	BNGZAKKYJMJDCV-UHFFFAOYSA-N	0	2	416.522	2.114	10	0		HEAELN
COC(=O)c1cc(F)c(Br)c(S(=O)(=O)Nc2noc(C3CC3)n2)c1	ZINC000170617519	569248077	/nfs/dbraw/zinc/24/80/77/569248077.db2.gz	DKSINTQOHNCBHE-UHFFFAOYSA-N	0	2	420.216	2.436	10	0		HEAELN
CC[C@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970716	568831739	/nfs/dbraw/zinc/83/17/39/568831739.db2.gz	DPYMSUGSGXONIZ-ZDUSSCGKSA-N	0	2	402.520	2.226	10	0		HEAELN
CCOC(=O)N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1	ZINC000039614010	571317689	/nfs/dbraw/zinc/31/76/89/571317689.db2.gz	SIZQHYOHXHCYHI-UHFFFAOYSA-N	0	2	403.410	2.452	10	0		HEAELN
Cc1nc2sccn2c(=O)c1S(=O)(=O)Nc1ccc(Br)cn1	ZINC000006859738	569047940	/nfs/dbraw/zinc/04/79/40/569047940.db2.gz	JLQYQJVOACPGSW-UHFFFAOYSA-N	0	2	401.267	2.023	10	0		HEAELN
COc1ccc(OC)c(NS(=O)(=O)c2cc3c(cc2Cl)n(C)c(=O)n3C)c1	ZINC000064976623	569139777	/nfs/dbraw/zinc/13/97/77/569139777.db2.gz	RATRUFTYXVGEQJ-UHFFFAOYSA-N	0	2	411.867	2.348	10	0		HEAELN
Cc1cc(NC(=O)COC(=O)c2ccc(N3C(=O)C4C5C=CC(C5)C4C3=O)cc2)no1	ZINC000035268932	558789195	/nfs/dbraw/zinc/78/91/95/558789195.db2.gz	UQBZMDAYESJVID-SLDRDFCHSA-N	0	2	421.409	2.090	10	0		HEAELN
CC[C@@H](C)NC(=O)c1ccc2c(c1)[nH]c(=S)n(CCCN1CCCC1=O)c2=O	ZINC000002970714	568831775	/nfs/dbraw/zinc/83/17/75/568831775.db2.gz	DPYMSUGSGXONIZ-CYBMUJFWSA-N	0	2	402.520	2.226	10	0		HEAELN