smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1cc[n+](C(C(=O)c2ccccc2)C(=S)NC2CC[NH+](C)CC2)cc1	ZINC000063441367	1408354165	/nfs/dbraw/zinc/35/41/65/1408354165.db2.gz	BREOIEDFKAXJHE-UHFFFAOYSA-O	2	0	382.553	3.159	10	30		GGEERP
C[N+](C)(C/C=C\C[N+](C)(C)CC(=O)c1ccccc1)CC(=O)c1ccccc1	ZINC000101674635	717145122	/nfs/dbraw/zinc/14/51/22/717145122.db2.gz	GBJQNLKGHGBJED-QXMHVHEDSA-N	2	0	380.532	3.461	10	30		GGEERP
C=CCOc1c(Br)cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC	ZINC000565892017	567107540	/nfs/dbraw/zinc/10/75/40/567107540.db2.gz	GUQXWVIKBHTBOJ-IYBDPMFKSA-N	2	0	395.341	3.454	10	30		GGEERP
CCCCCCCCC[C@H]1CC(=O)NCCC[NH2+]CCCC[NH2+]CCCN1	ZINC000008234353	560207890	/nfs/dbraw/zinc/20/78/90/560207890.db2.gz	QEGMJRQKNQFEEZ-NRFANRHFSA-N	2	0	382.637	3.345	10	30	in-vitro	GGEERP
C=CCOc1c(Br)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC	ZINC000655826076	566851631	/nfs/dbraw/zinc/85/16/31/566851631.db2.gz	PNKSNIZARVMFLU-OTVXOJSOSA-N	2	0	383.330	3.452	10	30		GGEERP
C=CCOc1c(Br)cc(C[NH2+][C@H]2CC23CC[NH2+]CC3)cc1OC	ZINC000666950699	567714441	/nfs/dbraw/zinc/71/44/41/567714441.db2.gz	BKROQEFXDLVGGR-INIZCTEOSA-N	2	0	381.314	3.254	10	30		GGEERP
C[NH+]=C(NCCc1ccc(C)nc1)NC1CC[NH+](Cc2ccccc2C)CC1	ZINC000086484238	1410045176	/nfs/dbraw/zinc/04/51/76/1410045176.db2.gz	BJEBNMQPOOLEPH-UHFFFAOYSA-N	2	0	379.552	3.071	10	30		GGEERP
CC[N+](C)(CC)CC(=O)Nc1cc(NC(=O)C[N+](C)(CC)CC)c(C)cc1C	ZINC000005651700	717100453	/nfs/dbraw/zinc/10/04/53/717100453.db2.gz	OIWOFUUOXHRWJM-UHFFFAOYSA-P	2	0	392.588	3.153	10	30		GGEERP
CCCCCCCCC[C@@H]1CC(=O)NCCC[NH2+]CCCC[NH2+]CCCN1	ZINC000008234352	560207885	/nfs/dbraw/zinc/20/78/85/560207885.db2.gz	QEGMJRQKNQFEEZ-OAQYLSRUSA-N	2	0	382.637	3.345	10	30	in-vitro	GGEERP
C=CCOc1c(Br)cc(CNCC23CC(C2)C[NH2+]3)cc1OCC	ZINC000663498519	567512652	/nfs/dbraw/zinc/51/26/52/567512652.db2.gz	OUNOAZXWNKNWEF-UHFFFAOYSA-N	2	0	381.314	3.254	10	30		GGEERP
N#CCSCCC[NH+]1CCCC2(CCC[N@@H+](CCCSCC#N)C2)C1	ZINC000377725492	565496110	/nfs/dbraw/zinc/49/61/10/565496110.db2.gz	ODIQZLFXWGQPST-UHFFFAOYSA-N	2	0	380.627	3.458	10	30		GGEERP
C=CCOc1c(Br)cc(C[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1OC	ZINC000666950700	567714319	/nfs/dbraw/zinc/71/43/19/567714319.db2.gz	BKROQEFXDLVGGR-MRXNPFEDSA-N	2	0	381.314	3.254	10	30		GGEERP