smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc2nc3cc(Cl)ccc3c(NCCCO)c2c1	ZINC000004427553	181109204	/nfs/dbraw/zinc/10/92/04/181109204.db2.gz	SKLTYFULQBSOSK-UHFFFAOYSA-N	0	3	316.788	3.844	1	10		DHCFHN
COc1cccc2c(-c3ccc([O-])c4c3CC[NH2+]C4)ccc(O)c12	ZINC000064453848	184297672	/nfs/dbraw/zinc/29/76/72/184297672.db2.gz	JFAMKXXVQMYAKF-UHFFFAOYSA-N	0	3	321.376	3.572	1	10		DHCFHN
COc1cc(C)cc(CN2CC=C(c3ccccc3)CC2)c1O	ZINC000006077397	181310423	/nfs/dbraw/zinc/31/04/23/181310423.db2.gz	FUDLNKZLVWDZKX-UHFFFAOYSA-N	0	3	309.409	3.999	3	10		DHCFHN
C(=C/c1ccnc2ccccc12)\c1ccc(N2CCNCC2)cc1	ZINC000072137582	191048635	/nfs/dbraw/zinc/04/86/35/191048635.db2.gz	MBRHTVLRMGLEAP-VMPITWQZSA-N	0	3	315.420	3.815	1	10		DHCFHN
CCCN1CCc2cc(C)cc3c2[C@H]1Cc1ccc(O)c(O)c1-3	ZINC000043014509	183328029	/nfs/dbraw/zinc/32/80/29/183328029.db2.gz	IQXHLUBOFQZZLM-MRXNPFEDSA-N	0	3	309.409	3.939	1	10	in-vivo	DHCFHN
CCCC[C@@H]1Cc2cc(O)ccc2-c2n(C)c3ccc([O-])cc3[n+]21	ZINC000005838350	181288667	/nfs/dbraw/zinc/28/86/67/181288667.db2.gz	DOIVZAAKZIBBPB-CQSZACIVSA-O	0	3	323.416	3.831	1	10		DHCFHN
CCCC[C@H]1Cc2cc(O)ccc2-c2n(C)c3ccc([O-])cc3[n+]21	ZINC000005838441	181288690	/nfs/dbraw/zinc/28/86/90/181288690.db2.gz	DOIVZAAKZIBBPB-AWEZNQCLSA-O	0	3	323.416	3.831	1	10		DHCFHN
NC(=[NH2+])c1ccc(NN=C2c3ccc([O-])cc3C=CC2=O)cc1	ZINC000005518720	181252601	/nfs/dbraw/zinc/25/26/01/181252601.db2.gz	DZPCPDXVMGRYJN-QZQOTICOSA-N	0	3	306.325	3.950	1	10		DHCFHN