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)c1ccc(-c2c3ccc(n3)c(-c3ccccc3)c3ccc([nH]3)c(-c3ccccc3)c3ccc(n3)c(-c3ccccc3)c3ccc2[nH]3)cc1	ZINC000150341234	571458054	/nfs/dbraw/zinc/45/80/54/571458054.db2.gz	AUUXSDUVWMAVMR-UHFFFAOYSA-N	0	1	672.788	11.325	10	5		KKBEMN
CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CCN(C(C)C)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000034835393	554019669	/nfs/dbraw/zinc/01/96/69/554019669.db2.gz	GREBMHMSQDFQRR-UHFFFAOYSA-N	0	1	536.652	5.065	10	5		KKBEMN
O=[N+]([O-])c1cc(-c2nc(-c3ccc4c(c3)sc3ccccc34)c(-c3ccccc3)[nH]2)ccc1Br	ZINC000103614055	555455960	/nfs/dbraw/zinc/45/59/60/555455960.db2.gz	KSPLJFIGZIAAPH-UHFFFAOYSA-N	0	1	526.415	8.449	10	5		KKBEMN
CC[C@H](Sc1n[nH]c2nc3nc4ccccc4c-3nn12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000020572972	553674875	/nfs/dbraw/zinc/67/48/75/553674875.db2.gz	JNPMGUVGMSYZND-IBGZPJMESA-N	0	1	509.620	5.854	10	5		KKBEMN
CC[C@H]1C2=Cc3[nH]c4c(c3C)C(=O)C(C(=O)OC)=C4C3=NC(=Cc4[nH]c(c(C(C)=O)c4C)C=C([NH2+]2)[C@@H]1C)[C@@H](C)[C@@H]3CCC(=O)[O-]	ZINC000103255458	562820734	/nfs/dbraw/zinc/82/07/34/562820734.db2.gz	XSZWYZUVMJWNBB-UDTOACJGSA-N	0	1	610.711	6.637	10	5		KKBEMN
CC[C@@H](Sc1n[nH]c2nc3nc4ccccc4c-3nn12)C(=O)N1c2ccccc2Sc2ccccc21	ZINC000020572969	553674884	/nfs/dbraw/zinc/67/48/84/553674884.db2.gz	JNPMGUVGMSYZND-LJQANCHMSA-N	0	1	509.620	5.854	10	5		KKBEMN