smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(OC)[C@@H]1C[C@@H]2c3cccc4c3c(cn4C)C[C@H]2[N@H+](C)C1	ZINC000095583139	185381183	/nfs/dbraw/zinc/38/11/83/185381183.db2.gz	VXPAMWVVWOOAQG-FRFSOERESA-N	1	0	314.429	2.757	1	10		DFCFRO
C[C@@H](Cc1ccc(O)cc1)[NH2+][C@H]1CCc2cc(O)c(O)cc2C1	ZINC000026971327	182460149	/nfs/dbraw/zinc/46/01/49/182460149.db2.gz	OLUBGMZCRFCJRU-LRDDRELGSA-N	1	0	313.397	2.882	1	10		DFCFRO
CCn1cc2c3c1cccc3[C@H]1C[C@H](C(=O)OC)C[N@H+](C)[C@@H]1C2	ZINC000040676414	183116382	/nfs/dbraw/zinc/11/63/82/183116382.db2.gz	UOOUTXUBCNKZJO-YSVLISHTSA-N	1	0	312.413	2.794	1	10		DFCFRO
Oc1cc2c(cc1O)[C@H]1c3cc4c(nc3C[NH2+][C@@H]1CC2)CCCC4	ZINC000028763855	182537680	/nfs/dbraw/zinc/53/76/80/182537680.db2.gz	BDRPLVMDSVQGDO-UZLBHIALSA-N	1	0	322.408	2.922	1	10		DFCFRO
Nc1ccc(Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)cc1	ZINC000066098865	184388890	/nfs/dbraw/zinc/38/88/90/184388890.db2.gz	BQKZTKBLCNECKW-UHFFFAOYSA-N	1	0	309.413	2.894	1	10		DFCFRO
CC1=NN(C(=O)C[N@H+]2CCCC[C@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510322	201396915	/nfs/dbraw/zinc/39/69/15/201396915.db2.gz	UZDQLLPGHXIQRR-GDBMZVCRSA-N	1	0	315.417	2.916	1	10		DFCFRO
CCn1cc2c3c1cccc3[C@H]1C[C@@H](C(=O)OC)C[N@H+](C)[C@H]1C2	ZINC000029481358	182566733	/nfs/dbraw/zinc/56/67/33/182566733.db2.gz	UOOUTXUBCNKZJO-UNEWFSDZSA-N	1	0	312.413	2.794	1	10		DFCFRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(Cl)c(NN=NC)c1	ZINC000001574818	180874440	/nfs/dbraw/zinc/87/44/40/180874440.db2.gz	BFJDBUGRSFNCKQ-UHFFFAOYSA-N	1	0	305.773	2.933	1	10		DFCFRO
COc1cc2c(cc1O)[C@@H]1Cc3cc(O)c(O)cc3[N+]1(C)CC2	ZINC000013411127	571700667	/nfs/dbraw/zinc/70/06/67/571700667.db2.gz	HVZWFRMKXRRMBK-KTQQKIMGSA-O	1	0	314.361	2.603	1	10	endogenous,in-man	DFCFRO
CCn1cc2c3c1cccc3[C@@H]1C[C@H](C(=O)OC)C[N@H+](C)[C@@H]1C2	ZINC000040676412	183116510	/nfs/dbraw/zinc/11/65/10/183116510.db2.gz	UOOUTXUBCNKZJO-JLJPHGGASA-N	1	0	312.413	2.794	1	10		DFCFRO
C[N+]1(C)CCc2cc(O)c(O)cc2[C@@H]1Cc1ccc(O)cc1	ZINC000085511925	290911531	/nfs/dbraw/zinc/91/15/31/290911531.db2.gz	GZCZUQLKNREJGE-INIZCTEOSA-O	1	0	300.378	2.720	1	10	biogenic,in-vitro	DFCFRO
C[C@H](Cc1ccc(O)c(O)c1)[NH2+][C@@H]1CCc2cc(O)ccc2C1	ZINC000026977823	182459785	/nfs/dbraw/zinc/45/97/85/182459785.db2.gz	ABYJLDWKGMEKMM-MLGOLLRUSA-N	1	0	313.397	2.882	1	10		DFCFRO
O=C1c2ccccc2-c2nc(N3CC[NH2+]CC3)c3ccccc3c21	ZINC000066079465	134829953	/nfs/dbraw/zinc/82/99/53/134829953.db2.gz	YTZXWZQNODGILD-UHFFFAOYSA-N	1	0	315.376	2.856	1	10		DFCFRO
CC[NH2+]CCCOc1ccc2c(c1)C(=O)c1ccccc1C2=O	ZINC000072178694	191071018	/nfs/dbraw/zinc/07/10/18/191071018.db2.gz	DMUVDRYUTNAKJL-UHFFFAOYSA-N	1	0	309.365	2.840	1	10		DFCFRO
CN(C)c1ccc(O)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1	ZINC000028387361	182522665	/nfs/dbraw/zinc/52/26/65/182522665.db2.gz	QYLJAQYCWCNDAI-UHFFFAOYSA-N	1	0	315.373	2.699	1	10		DFCFRO
Oc1cccc([C@H]2C[NH2+][C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)c1	ZINC000095565818	185380135	/nfs/dbraw/zinc/38/01/35/185380135.db2.gz	FECKXNGJFWUHLF-KBRIMQKVSA-N	1	0	311.381	2.979	1	10		DFCFRO
Oc1ccc([C@H]2C[NH2+][C@@H]3CCc4cc(O)c(O)cc4[C@H]3C2)cc1	ZINC000095565817	185380156	/nfs/dbraw/zinc/38/01/56/185380156.db2.gz	VEJVQTWUKUQWPK-KBRIMQKVSA-N	1	0	311.381	2.979	1	10		DFCFRO
C[n+]1cc2c(c3ccccc31)C(=O)c1[nH]c3ccccc3c1C2=O	ZINC000042922709	183319160	/nfs/dbraw/zinc/31/91/60/183319160.db2.gz	PFYTYKBCBPLXGA-UHFFFAOYSA-O	1	0	313.336	2.921	1	10		DFCFRO
C[NH2+]CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000095581952	185381202	/nfs/dbraw/zinc/38/12/02/185381202.db2.gz	KHLPTYMAVQJRNJ-UHFFFAOYSA-N	1	0	318.376	2.822	1	10		DFCFRO
COc1cc2c(cc1O)[C@H]1Cc3cc(O)c(O)cc3[N+]1(C)CC2	ZINC000014947545	571728619	/nfs/dbraw/zinc/72/86/19/571728619.db2.gz	HVZWFRMKXRRMBK-MJTSIZKDSA-O	1	0	314.361	2.603	1	10	endogenous,in-man	DFCFRO
CC1=NN(C(=O)C[N@H+]2CCCC[C@@H]2C)[C@@H](c2ccccc2O)C1	ZINC000195510325	201397492	/nfs/dbraw/zinc/39/74/92/201397492.db2.gz	UZDQLLPGHXIQRR-GOEBONIOSA-N	1	0	315.417	2.916	1	10		DFCFRO