smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Nc1nc2c(c(N)n1)C[C@]1(CC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257300326	396045889	/nfs/dbraw/zinc/04/58/89/396045889.db2.gz	RTVJFOKPKXKGED-INIZCTEOSA-N	1	1	313.361	0.926	40	10		DCCBMO
CCCCN1C(=O)NC(=O)C(=CN[C@@H]2CCCC[C@H]2[NH3+])C1=O	ZINC000138757175	1158216680	/nfs/dbraw/zinc/21/66/80/1158216680.db2.gz	PSLCQCXZUWLANP-MNQYACPRSA-N	1	1	308.382	0.608	40	10		DCCBMO
C[NH+](C)CCN(Cc1ccc(N)cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575419962	417535138	/nfs/dbraw/zinc/53/51/38/417535138.db2.gz	BTECPSSAGWAKBE-HNNXBMFYSA-N	1	1	311.451	0.820	40	10		DCCBMO
Nc1nc2c(c(N)n1)C[C@@]1(CC[N@@H+](Cc3ccccc3O)C1)O2	ZINC000257300327	203024725	/nfs/dbraw/zinc/02/47/25/203024725.db2.gz	RTVJFOKPKXKGED-MRXNPFEDSA-N	1	1	313.361	0.926	40	10		DCCBMO
C[N@H+]1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000604381223	397639097	/nfs/dbraw/zinc/63/90/97/397639097.db2.gz	FWUPROKXUIUWSD-OAHLLOKOSA-N	1	1	303.406	0.593	40	10	biogenic,in-vitro	DCCBMO
O=C(Cc1nnc2ccccc2n1)NCCC[NH+]1CCOCC1	ZINC000016545238	182048813	/nfs/dbraw/zinc/04/88/13/182048813.db2.gz	JOMPSWLEYXXSCM-UHFFFAOYSA-N	1	1	315.377	0.406	40	10		DCCBMO
C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N(C)CCO)cc1	ZINC000072324840	191123588	/nfs/dbraw/zinc/12/35/88/191123588.db2.gz	YPBRTQOQDPYKRD-ZTFGCOKTSA-N	1	1	319.449	0.754	40	10		DCCBMO
C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccc(N(C)CCO)cc1	ZINC000072324775	191123395	/nfs/dbraw/zinc/12/33/95/191123395.db2.gz	YPBRTQOQDPYKRD-BMGDILEWSA-N	1	1	319.449	0.754	40	10		DCCBMO
C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N(C)CCO)cc1	ZINC000072324844	191123441	/nfs/dbraw/zinc/12/34/41/191123441.db2.gz	YPBRTQOQDPYKRD-FHLIZLRMSA-N	1	1	319.449	0.754	40	10		DCCBMO
CN1[C@@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]2OCCS1(=O)=O	ZINC001534640225	1011602083	/nfs/dbraw/zinc/60/20/83/1011602083.db2.gz	VYBSRAJQZUBMIG-OCCSQVGLSA-N	1	1	312.391	0.237	40	10		DCCBMO
C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccc(N(C)CCO)cc1	ZINC000072324776	191122794	/nfs/dbraw/zinc/12/27/94/191122794.db2.gz	YPBRTQOQDPYKRD-JCGIZDLHSA-N	1	1	319.449	0.754	40	10		DCCBMO
C[NH+](C)CCN(Cc1ccc(N)cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575419963	417535234	/nfs/dbraw/zinc/53/52/34/417535234.db2.gz	BTECPSSAGWAKBE-OAHLLOKOSA-N	1	1	311.451	0.820	40	10		DCCBMO