smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC1CC[NH+](CC2CCN(Cc3cccc(C#N)c3)CC2)CC1	ZINC000052184361	563786010	/nfs/dbraw/zinc/78/60/10/563786010.db2.gz	IUFWZLBAFSZQRN-UHFFFAOYSA-N	1	3	311.473	3.502	50	30		DHEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785573	181151728	/nfs/dbraw/zinc/15/17/28/181151728.db2.gz	HTDPHMLCRHFWLG-DZBQEORWSA-N	1	3	322.499	3.773	50	30		DHEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785500	181152029	/nfs/dbraw/zinc/15/20/29/181152029.db2.gz	IEDASMHLAQKQFS-JVVDOCDTSA-N	1	3	320.483	3.549	50	30		DHEAHO
C=CCN(Cc1cccc(OC)c1)CC1CC[NH+](C(C)C)CC1	ZINC000063868163	563822115	/nfs/dbraw/zinc/82/21/15/563822115.db2.gz	KHVXMIIWGQTVJT-UHFFFAOYSA-N	1	3	316.489	3.804	50	30		DHEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004785365	181151547	/nfs/dbraw/zinc/15/15/47/181151547.db2.gz	ZYKAPHARIIRVBB-PDICVPPASA-N	1	3	314.501	3.526	50	30		DHEAHO
CC1CCC([NH+]2CCC(N(C)CCCSCC#N)CC2)CC1	ZINC000078953652	563930163	/nfs/dbraw/zinc/93/01/63/563930163.db2.gz	ITOHKBUYYPLVRW-UHFFFAOYSA-N	1	3	323.550	3.608	50	30		DHEAHO
CC1CCC(N2CCC([N@H+](C)CCCSCC#N)CC2)CC1	ZINC000078953652	563930164	/nfs/dbraw/zinc/93/01/64/563930164.db2.gz	ITOHKBUYYPLVRW-UHFFFAOYSA-N	1	3	323.550	3.608	50	30		DHEAHO
CC1CCC(N2CCC([N@@H+](C)CCCSCC#N)CC2)CC1	ZINC000078953652	563930166	/nfs/dbraw/zinc/93/01/66/563930166.db2.gz	ITOHKBUYYPLVRW-UHFFFAOYSA-N	1	3	323.550	3.608	50	30		DHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000003667102	181044477	/nfs/dbraw/zinc/04/44/77/181044477.db2.gz	HHVNFMJRWCPFHS-IIMQCXAKSA-N	1	3	322.499	3.854	50	30		DHEAHO
C=CCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785501	181152049	/nfs/dbraw/zinc/15/20/49/181152049.db2.gz	IEDASMHLAQKQFS-DZBQEORWSA-N	1	3	320.483	3.549	50	30		DHEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccc(C)cc1	ZINC000004785572	181151816	/nfs/dbraw/zinc/15/18/16/181151816.db2.gz	HTDPHMLCRHFWLG-JVVDOCDTSA-N	1	3	322.499	3.773	50	30		DHEAHO
CCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1cccs1	ZINC000004785367	181151585	/nfs/dbraw/zinc/15/15/85/181151585.db2.gz	ZYKAPHARIIRVBB-GPILYODUSA-N	1	3	314.501	3.526	50	30		DHEAHO
CN(C)/C=C/C=C/C=C1\CCC/C(=C\C=C\C=C\[NH+](C)C)C1=O	ZINC000038167869	563596351	/nfs/dbraw/zinc/59/63/51/563596351.db2.gz	PNSKXRVMCVFMQJ-VPWHXOBQSA-N	1	3	312.457	3.855	50	30		DHEAHO
CCCCN1C(=S)SC(C)(C)C1[N+](=O)Cc1ccccc1	ZINC000003667100	181044126	/nfs/dbraw/zinc/04/41/26/181044126.db2.gz	HHVNFMJRWCPFHS-HIXWQLQUSA-N	1	3	322.499	3.854	50	30		DHEAHO