smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)Nc2cnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)c(C(=O)[O-])c2)cc1	ZINC000021716444	523760091	/nfs/dbraw/zinc/76/00/91/523760091.db2.gz	NIRPXEWJAHHDBU-UHFFFAOYSA-N	0	2	467.526	1.785	10	0		JDAELN
COCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1	ZINC000064979053	523894033	/nfs/dbraw/zinc/89/40/33/523894033.db2.gz	DKNFOKZSVYOUMH-UHFFFAOYSA-N	0	2	455.515	1.225	10	0		JDAELN
COc1ccc(C[NH+]2CCN(C(=O)Cn3nc(C(=O)[O-])c4ccccc4c3=O)CC2)cc1F	ZINC000009730507	555466092	/nfs/dbraw/zinc/46/60/92/555466092.db2.gz	QHJQLKSYGQMKOW-UHFFFAOYSA-N	0	2	454.458	1.587	10	0		JDAELN
COCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccccc3Cl)cc2C(=O)[O-])CC1	ZINC000064979038	523893834	/nfs/dbraw/zinc/89/38/34/523893834.db2.gz	CQDUWOLBPHRSHK-UHFFFAOYSA-N	0	2	475.933	1.570	10	0		JDAELN
COCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccc(C)cc3)cc2C(=O)[O-])CC1	ZINC000064979043	523894445	/nfs/dbraw/zinc/89/44/45/523894445.db2.gz	SHYXDBKEWHTTLL-UHFFFAOYSA-N	0	2	455.515	1.225	10	0		JDAELN
O=C([O-])c1ccc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)c(NC(=O)c2cccs2)c1	ZINC000032946969	556562273	/nfs/dbraw/zinc/56/22/73/556562273.db2.gz	UWLNRQVCTBUVIP-UHFFFAOYSA-N	0	2	458.540	1.679	10	0		JDAELN
O=C([O-])c1cc(N2CC[NH+](CC(=O)N3CCOCC3)CC2)ccc1NS(=O)(=O)c1ccccc1	ZINC000033259884	526349347	/nfs/dbraw/zinc/34/93/47/526349347.db2.gz	FCUCVJFGUPUHNR-UHFFFAOYSA-N	0	2	488.566	1.166	10	0		JDAELN
O=C([O-])COCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3ccccc3C[NH+]3CCOCC3)ccc12	ZINC000008297524	554565106	/nfs/dbraw/zinc/56/51/06/554565106.db2.gz	PZVBZKUBVJTPND-AZUAARDMSA-N	0	2	481.549	1.394	10	0	biogenic	JDAELN
CS(=O)(=O)Nc1ccc2nc(N3CC[NH+](CC(=O)N4CCCC4)CC3)cc(C(=O)[O-])c2c1	ZINC000035212094	569678216	/nfs/dbraw/zinc/67/82/16/569678216.db2.gz	ADVUUZWKAYVIAR-UHFFFAOYSA-N	0	2	461.544	1.049	10	0		JDAELN
CC(C)OC(=O)C(C(=O)OC(C)C)=C1SCn2c(nc3c2c(=O)n(C)c(=O)n3C)S1	ZINC000048546588	569846371	/nfs/dbraw/zinc/84/63/71/569846371.db2.gz	ZSPFCHUAYZJEAS-UHFFFAOYSA-N	0	2	454.530	1.345	10	0		JDAELN
COCCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3ccc(Cl)cc3)cc2C(=O)[O-])CC1	ZINC000021716437	523325522	/nfs/dbraw/zinc/32/55/22/523325522.db2.gz	OYKLADCNCCYUSP-UHFFFAOYSA-N	0	2	489.960	1.960	10	0		JDAELN
CCCCNC(=O)C[NH+]1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)CC)ccc3n2)CC1	ZINC000033256341	520617141	/nfs/dbraw/zinc/61/71/41/520617141.db2.gz	IWEBRSFPIWAGIN-UHFFFAOYSA-N	0	2	477.587	1.733	10	0		JDAELN
COCCCNC(=O)C[NH+]1CCN(c2ncc(NC(=O)c3cccc(C)c3)cc2C(=O)[O-])CC1	ZINC000064979052	523327242	/nfs/dbraw/zinc/32/72/42/523327242.db2.gz	AAPGFRRUAMKISI-UHFFFAOYSA-N	0	2	469.542	1.615	10	0		JDAELN