smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2ccnc2)[C@H]1O	ZINC000952845043	768910234	/nfs/dbraw/zinc/91/02/34/768910234.db2.gz	ZWNXCAAAINEPSF-DGXTUMSLSA-N	0	3	317.345	0.404	40	10	biogenic,in-vitro	DCCBHN
Nc1nc2c(c(N)n1)C[C@]1(CC[N@H+](Cc3ccccc3[O-])C1)O2	ZINC000257300326	396045901	/nfs/dbraw/zinc/04/59/01/396045901.db2.gz	RTVJFOKPKXKGED-INIZCTEOSA-N	0	3	313.361	0.926	40	10		DCCBHN
Nc1nc2c(c(N)n1)C[C@]1(CC[N@@H+](Cc3ccccc3[O-])C1)O2	ZINC000257300326	396045904	/nfs/dbraw/zinc/04/59/04/396045904.db2.gz	RTVJFOKPKXKGED-INIZCTEOSA-N	0	3	313.361	0.926	40	10		DCCBHN
Nc1nc2c(c(N)n1)C[C@@]1(CC[N@H+](Cc3ccccc3[O-])C1)O2	ZINC000257300327	203024735	/nfs/dbraw/zinc/02/47/35/203024735.db2.gz	RTVJFOKPKXKGED-MRXNPFEDSA-N	0	3	313.361	0.926	40	10		DCCBHN
Nc1nc2c(c(N)n1)C[C@@]1(CC[N@@H+](Cc3ccccc3[O-])C1)O2	ZINC000257300327	203024738	/nfs/dbraw/zinc/02/47/38/203024738.db2.gz	RTVJFOKPKXKGED-MRXNPFEDSA-N	0	3	313.361	0.926	40	10		DCCBHN
COC(=O)C[C@H](CC([O-])=C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000017005208	182067799	/nfs/dbraw/zinc/06/77/99/182067799.db2.gz	MRXIJZYJDNDQQL-VIFPVBQESA-N	0	3	315.285	0.474	40	10		DCCBHN
CN1C[C@@H]2COCCN2C2(CN(Cc3ccccc3O)C2)C1	ZINC000604381223	397639102	/nfs/dbraw/zinc/63/91/02/397639102.db2.gz	FWUPROKXUIUWSD-OAHLLOKOSA-N	0	3	303.406	0.593	40	10	biogenic,in-vitro	DCCBHN
CC(C)NC(=O)NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O	ZINC000077264895	396216177	/nfs/dbraw/zinc/21/61/77/396216177.db2.gz	PKPYERGFXOKKHI-YUELXQCFSA-N	0	3	323.393	0.318	40	10	biogenic,in-vitro	DCCBHN
O=C(NC[C@H]1OC[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]1O)C1CC1	ZINC000077263971	396216636	/nfs/dbraw/zinc/21/66/36/396216636.db2.gz	AFYVFMWHQYGAJQ-YUELXQCFSA-N	0	3	306.362	0.136	40	10	biogenic,in-vitro	DCCBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](n2cccn2)[C@H]1O	ZINC000952844598	768908653	/nfs/dbraw/zinc/90/86/53/768908653.db2.gz	AJVWHRNSQYVLON-DGXTUMSLSA-N	0	3	317.345	0.404	40	10	biogenic,in-vitro	DCCBHN
COC(=O)C[C@@H](CC([O-])=C[N+]#N)N1C(=O)c2ccccc2C1=O	ZINC000004897397	545641217	/nfs/dbraw/zinc/64/12/17/545641217.db2.gz	MRXIJZYJDNDQQL-SECBINFHSA-N	0	3	315.285	0.474	40	10		DCCBHN
[O-]c1ccccc1C[NH2+][C@@H]1[C@H]2CO[C@H](O2)[C@H](N2CCCC2)[C@H]1O	ZINC000012529646	395687690	/nfs/dbraw/zinc/68/76/90/395687690.db2.gz	BPXQXZATAUVMRJ-OVYGPGRDSA-N	0	3	320.389	0.431	40	10	biogenic,in-vitro	DCCBHN
CN(C)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000066088746	184388045	/nfs/dbraw/zinc/38/80/45/184388045.db2.gz	ORIMHDAKACZVIL-UHFFFAOYSA-N	0	3	300.318	0.244	40	10		DCCBHN
CN(C)CCCn1c2c(n[n+]1[O-])C(=O)c1ccccc1C2=O	ZINC000408710515	239275257	/nfs/dbraw/zinc/27/52/57/239275257.db2.gz	ORIMHDAKACZVIL-UHFFFAOYSA-O	0	3	301.326	0.458	40	10		DCCBHN