smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCn1c(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@@H]3CCCO3)cc2[nH]c1=S	ZINC000756270105	1070998598	/nfs/dbraw/zinc/99/85/98/1070998598.db2.gz	USNPJUJFOWHGSN-FQEVSTJZSA-N	0	2	466.607	3.593	20	10		JHCDLN
Cc1ccc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3cccc(F)c3F)cc2)cc1[N+](=O)[O-]	ZINC000751260222	1069596837	/nfs/dbraw/zinc/59/68/37/1069596837.db2.gz	BDDZZJVCXRVPLC-UHFFFAOYSA-N	0	2	483.474	3.783	20	10		JHCDLN
CCOC(=O)c1ccc(N2CCN(Cc3cc(Cl)cc(Br)c3O)CC2)nc1	ZINC001308650992	1070409876	/nfs/dbraw/zinc/40/98/76/1070409876.db2.gz	QHEJLOXZVSUIBD-UHFFFAOYSA-N	0	2	454.752	3.702	20	10		JHCDLN
O=C(NCc1ccc(N2CC=CC2)cc1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1	ZINC001310376154	1071351121	/nfs/dbraw/zinc/35/11/21/1071351121.db2.gz	CDAIKHRKFJIWPQ-UHFFFAOYSA-N	0	2	455.565	3.642	20	10		JHCDLN
CCn1c(=O)c2ccc(C(=O)N(Cc3ccc(N(C)C)cc3)C[C@H]3CCCO3)cc2[nH]c1=S	ZINC000756270129	1070999496	/nfs/dbraw/zinc/99/94/96/1070999496.db2.gz	USNPJUJFOWHGSN-HXUWFJFHSA-N	0	2	466.607	3.593	20	10		JHCDLN
O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2cc(Cl)cc(Br)c2O)CC1	ZINC001308778373	1070437385	/nfs/dbraw/zinc/43/73/85/1070437385.db2.gz	HAABKQSAQOGEQB-UHFFFAOYSA-N	0	2	454.708	3.674	20	10		JHCDLN