smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1sc2c(cnc3cc(Br)ccc23)c1O	ZINC000053994606	201130599	/nfs/dbraw/zinc/13/05/99/201130599.db2.gz	LRTBYHJQRJKXDR-UHFFFAOYSA-N	0	2	338.182	3.704	10	10		EHCELN
COc1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C)cc3)C2=O)cc1	ZINC000000076802	524392786	/nfs/dbraw/zinc/39/27/86/524392786.db2.gz	QSBIZMVOTZGKLS-WJDWOHSUSA-N	0	2	336.347	3.510	10	10		EHCELN
COc1ccc(N=N[C@H]2C(C)=NN(c3ccccc3)C2=O)c(OC)c1	ZINC000254341362	201187774	/nfs/dbraw/zinc/18/77/74/201187774.db2.gz	BDPUFQZQVPHSCM-KRWDZBQOSA-N	0	2	338.367	3.579	10	10		EHCELN
Cc1ccccc1N1C(=O)NC(=O)C(=CNc2ccc(F)cc2)C1=O	ZINC000103222211	219271518	/nfs/dbraw/zinc/27/15/18/219271518.db2.gz	ZRFCOENCMJOTLV-GXDHUFHOSA-N	0	2	339.326	3.553	10	10		EHCELN
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cccs3)C2=O)cc1	ZINC000005727496	563547360	/nfs/dbraw/zinc/54/73/60/563547360.db2.gz	COIAMQBDCKRMBY-GDNBJRDFSA-N	0	2	340.404	3.538	10	10		EHCELN
Cc1cc(C)cc(N2C(=O)NC(=O)C(=CC=Cc3ccco3)C2=O)c1	ZINC000020345283	563858968	/nfs/dbraw/zinc/85/89/68/563858968.db2.gz	PCXJQWHDXBGRHP-JLJGJNDSSA-N	0	2	336.347	3.959	10	10		EHCELN
CCOc1cc2ncc3c(O)c(C(=O)OC)sc3c2cc1OCC	ZINC000053994689	214210274	/nfs/dbraw/zinc/21/02/74/214210274.db2.gz	PBUBWVYCXDBSRB-UHFFFAOYSA-N	0	2	347.392	3.739	10	10		EHCELN
COc1ccc(N=N[C@@H]2C(C)=NN(c3ccccc3)C2=O)c(OC)c1	ZINC000254341367	536713552	/nfs/dbraw/zinc/71/35/52/536713552.db2.gz	BDPUFQZQVPHSCM-QGZVFWFLSA-N	0	2	338.367	3.579	10	10		EHCELN
N=C1C=CC=C[N@H+]1c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000103594886	219316082	/nfs/dbraw/zinc/31/60/82/219316082.db2.gz	MPAOEFAYUQSYFI-FTRZRGPSSA-N	0	2	334.335	3.776	10	10	in-vitro	EHCELN
N=C1C=CC=C[N@@H+]1c1ccc(NN=C2C=CC(=O)C(C(=O)[O-])=C2)cc1	ZINC000103594886	219316083	/nfs/dbraw/zinc/31/60/83/219316083.db2.gz	MPAOEFAYUQSYFI-FTRZRGPSSA-N	0	2	334.335	3.776	10	10	in-vitro	EHCELN