smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@@](C)(C#N)NC(=O)CNCC1CC[NH+](C[C@H](C)O)CC1	ZINC000069569043	519807606	/nfs/dbraw/zinc/80/76/06/519807606.db2.gz	OXAKLDUHRWRDPK-WMLDXEAASA-N	1	3	324.469	0.723	50	30		DCEAHO
CNC(NCCCN1CCN(Cc2ccccc2)CC1)=[NH+]C	ZINC000195529772	416326801	/nfs/dbraw/zinc/32/68/01/416326801.db2.gz	JTDFJTMVKKWDQP-UHFFFAOYSA-N	1	3	303.454	0.989	50	30		DCEAHO
C=CCn1nc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)c2c1CCNC2	ZINC000299760809	416064543	/nfs/dbraw/zinc/06/45/43/416064543.db2.gz	RJSPWQWDVJUNGF-ZDUSSCGKSA-N	1	3	317.437	0.786	50	30		DCEAHO
C=CCn1nc(C(=O)NC[C@@H]2CC[N@H+](CC)C2)c2c1CCNC2	ZINC000299760809	416064547	/nfs/dbraw/zinc/06/45/47/416064547.db2.gz	RJSPWQWDVJUNGF-ZDUSSCGKSA-N	1	3	317.437	0.786	50	30		DCEAHO
CC(C)[C@@](C)(C#N)NC(=O)CNCC1CC[NH+](C[C@@H](C)O)CC1	ZINC000069569040	184527223	/nfs/dbraw/zinc/52/72/23/184527223.db2.gz	OXAKLDUHRWRDPK-RHSMWYFYSA-N	1	3	324.469	0.723	50	30		DCEAHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1	ZINC000069874728	396094016	/nfs/dbraw/zinc/09/40/16/396094016.db2.gz	LBLVIIRHWBWWJN-KRWDZBQOSA-N	1	3	321.465	0.901	50	30		DCEAHO
N#CC1(c2ccccc2)CCN(C(=O)C23CNCC2C[NH2+]C3)CC1	ZINC000065506015	526439475	/nfs/dbraw/zinc/43/94/75/526439475.db2.gz	LHWAGEBUFVCOLU-UHFFFAOYSA-N	1	3	324.428	0.879	50	30		DCEAHO
C#CCN1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1	ZINC000069874738	277687317	/nfs/dbraw/zinc/68/73/17/277687317.db2.gz	LBLVIIRHWBWWJN-QGZVFWFLSA-N	1	3	321.465	0.901	50	30		DCEAHO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@H](N2CCCC2)C1	ZINC000195563341	395831938	/nfs/dbraw/zinc/83/19/38/395831938.db2.gz	CPOVYRORPKODBU-GJZGRUSLSA-N	1	3	323.485	0.989	50	30		DCEAHO
CC(C)[C@](C)(C#N)NC(=O)CNCC1CC[NH+](C[C@@H](C)O)CC1	ZINC000069569041	519828877	/nfs/dbraw/zinc/82/88/77/519828877.db2.gz	OXAKLDUHRWRDPK-PBHICJAKSA-N	1	3	324.469	0.723	50	30		DCEAHO
CN(CCC[NH+](C)C)CCC[N@H+](C)CCCNC(=O)/C=N\[O-]	ZINC000004996921	395682651	/nfs/dbraw/zinc/68/26/51/395682651.db2.gz	PURLMGIPJHBORD-VKAVYKQESA-N	1	3	315.462	0.158	50	30		DCEAHO
CN(CCC[NH+](C)C)CCC[N@@H+](C)CCCNC(=O)/C=N\[O-]	ZINC000004996921	395682652	/nfs/dbraw/zinc/68/26/52/395682652.db2.gz	PURLMGIPJHBORD-VKAVYKQESA-N	1	3	315.462	0.158	50	30		DCEAHO
CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)N1CC[C@@H](N2CCCC2)C1	ZINC000195563338	395831927	/nfs/dbraw/zinc/83/19/27/395831927.db2.gz	CPOVYRORPKODBU-LSDHHAIUSA-N	1	3	323.485	0.989	50	30		DCEAHO
CC(C)[C@](C)(C#N)NC(=O)CNCC1CC[NH+](C[C@H](C)O)CC1	ZINC000069569045	519828891	/nfs/dbraw/zinc/82/88/91/519828891.db2.gz	OXAKLDUHRWRDPK-YOEHRIQHSA-N	1	3	324.469	0.723	50	30		DCEAHO
C=CCn1nc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)c2c1CCNC2	ZINC000299760802	416064950	/nfs/dbraw/zinc/06/49/50/416064950.db2.gz	RJSPWQWDVJUNGF-CYBMUJFWSA-N	1	3	317.437	0.786	50	30		DCEAHO
C=CCn1nc(C(=O)NC[C@H]2CC[N@H+](CC)C2)c2c1CCNC2	ZINC000299760802	416064952	/nfs/dbraw/zinc/06/49/52/416064952.db2.gz	RJSPWQWDVJUNGF-CYBMUJFWSA-N	1	3	317.437	0.786	50	30		DCEAHO
C[NH+](C)C[C@@H]1CCN(Cc2cc(C#CCO)cs2)C[C@H]1O	ZINC000584888624	396633514	/nfs/dbraw/zinc/63/35/14/396633514.db2.gz	IRBIKODZVMNDML-GOEBONIOSA-N	1	3	308.447	0.836	50	30		DCEAHO