smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COCC[NH+]1CCC(CNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000218649035	536858129	/nfs/dbraw/zinc/85/81/29/536858129.db2.gz	MRBUUSCBTGFMOP-LJQANCHMSA-N	2	1	347.503	2.072	50	70		EEIAMP
CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618230	535784512	/nfs/dbraw/zinc/78/45/12/535784512.db2.gz	XVPNGFLHIOPXNJ-LJQANCHMSA-N	2	1	338.455	2.365	50	70		EEIAMP
CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618230	535784514	/nfs/dbraw/zinc/78/45/14/535784514.db2.gz	XVPNGFLHIOPXNJ-LJQANCHMSA-N	2	1	338.455	2.365	50	70		EEIAMP
COCC[NH+]1CCC(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)CC1	ZINC000218649126	536858015	/nfs/dbraw/zinc/85/80/15/536858015.db2.gz	MRBUUSCBTGFMOP-IBGZPJMESA-N	2	1	347.503	2.072	50	70		EEIAMP
CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618307	535784272	/nfs/dbraw/zinc/78/42/72/535784272.db2.gz	XVPNGFLHIOPXNJ-IBGZPJMESA-N	2	1	338.455	2.365	50	70		EEIAMP
CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCCNc1cc[nH+]cc1C	ZINC000218618307	535784275	/nfs/dbraw/zinc/78/42/75/535784275.db2.gz	XVPNGFLHIOPXNJ-IBGZPJMESA-N	2	1	338.455	2.365	50	70		EEIAMP
Nc1nc(C2CC([NH3+])C2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1	ZINC000218260717	464108883	/nfs/dbraw/zinc/10/88/83/464108883.db2.gz	JEMRWWCMPALUSH-UHFFFAOYSA-N	2	1	344.507	2.108	50	70		EEIAMP
[NH3+][C@H]1C[C@H](c2nnc(C[N@@H+]3CCCC4(CCOCC4)C3)n2C2CC2)C1	ZINC000218721870	295343082	/nfs/dbraw/zinc/34/30/82/295343082.db2.gz	DXJJCXNCBQWOIY-GASCZTMLSA-N	2	1	345.491	2.210	50	70		EEIAMP
[NH3+][C@H]1C[C@H](c2nnc(C[N@H+]3CCCC4(CCOCC4)C3)n2C2CC2)C1	ZINC000218721870	295343085	/nfs/dbraw/zinc/34/30/85/295343085.db2.gz	DXJJCXNCBQWOIY-GASCZTMLSA-N	2	1	345.491	2.210	50	70		EEIAMP