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)[C@@H]1C[C@H]2CC[C@H](O)C[C@H]2N1Cc1ccc(N2CCN(C)CC2)cc1	ZINC000008679901	204283541	/nfs/dbraw/zinc/28/35/41/204283541.db2.gz	KZAWBAONFXVOLN-PMXSJFBMSA-N	0	3	387.524	1.715	3	10		GDCFHN
CN(C)CCNC(=O)c1cccc2c(N)c3cccc(S(C)(=O)=O)c3nc12	ZINC000005957849	204158716	/nfs/dbraw/zinc/15/87/16/204158716.db2.gz	BRQSDCPNGXAKNF-UHFFFAOYSA-N	0	3	386.477	1.665	1	10		GDCFHN
CN(C)CCn1nc2c3c1ccc(NCCN1CC1)c3C(=O)c1ccncc1-2	ZINC000095589655	208236891	/nfs/dbraw/zinc/23/68/91/208236891.db2.gz	PCYXUJWBSZXVGA-UHFFFAOYSA-N	0	3	376.464	1.932	1	10		GDCFHN
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1cc[n+]([O-])cc1C2=O	ZINC000022040795	207246666	/nfs/dbraw/zinc/24/66/66/207246666.db2.gz	GPHHSLMDGKQIJT-UHFFFAOYSA-N	0	3	397.479	1.042	1	10		GDCFHN
[NH3+]CC[C@@H]1CN([C@@H]2N=C3c4c([O-])cccc4C(=O)c4cccc(c43)O2)CCO1	ZINC000096937625	208331927	/nfs/dbraw/zinc/33/19/27/208331927.db2.gz	BEEMSCFIHUUMEC-GTJPDFRWSA-N	0	3	379.416	1.500	1	10		GDCFHN
CN(C)CCNc1ccc(NCCN(C)C)c2c1C(=O)c1ncsc1C2=O	ZINC000001650461	209335881	/nfs/dbraw/zinc/33/58/81/209335881.db2.gz	JMDAJKDMUPMFLN-UHFFFAOYSA-N	0	3	387.509	1.866	1	10		GDCFHN