smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(CCO)CC2)SC1=S	ZINC000008872570	553173558	/nfs/dbraw/zinc/17/35/58/553173558.db2.gz	QBLBURUSRKHOTK-PEZBUJJGSA-N	-1	0	503.606	0.875	50	10		KCCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009302977	553236390	/nfs/dbraw/zinc/23/63/90/553236390.db2.gz	ZYSXPJMCXYUKGZ-FXFXYLOPSA-N	-1	0	509.519	0.357	50	10		KCCARM
COCCN1C(=O)[N-]C(=O)/C(=C\c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009302980	553236477	/nfs/dbraw/zinc/23/64/77/553236477.db2.gz	ZYSXPJMCXYUKGZ-QIPRVMPFSA-N	-1	0	509.519	0.357	50	10		KCCARM
COCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@H]2CCCN32)C1=O	ZINC000009348581	553244758	/nfs/dbraw/zinc/24/47/58/553244758.db2.gz	LSWAVVBDYUTZHU-BBLCHGJFSA-N	-1	0	524.534	0.269	50	10		KCCARM
COCCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O	ZINC000009348583	553244754	/nfs/dbraw/zinc/24/47/54/553244754.db2.gz	LSWAVVBDYUTZHU-ZUTYSQTGSA-N	-1	0	524.534	0.269	50	10		KCCARM
COc1cc(C=C2C(=O)[N-]C(=O)NC2=O)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1	ZINC000016215022	553556787	/nfs/dbraw/zinc/55/67/87/553556787.db2.gz	SZHUINHJMSQJQT-UHFFFAOYSA-N	-1	0	511.495	0.095	50	10		KCCARM
Cn1c2c([nH]c1=NNC=C1C(=O)[N-]C(=O)N(c3ccc(Br)cc3)C1=O)n(C)c(=O)n(C)c2=O	ZINC000018128587	553605740	/nfs/dbraw/zinc/60/57/40/553605740.db2.gz	RXYXOGUFKOFBNT-FLIBITNWSA-N	-1	0	517.300	0.021	50	10		KCCARM
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968240	553929663	/nfs/dbraw/zinc/92/96/63/553929663.db2.gz	GOGQTZPRLPFDGN-CKNGIZQFSA-N	-1	0	557.567	0.684	50	10		KCCARM
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968241	553929591	/nfs/dbraw/zinc/92/95/91/553929591.db2.gz	GOGQTZPRLPFDGN-CURYZJDOSA-N	-1	0	557.567	0.684	50	10		KCCARM
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968361	553931314	/nfs/dbraw/zinc/93/13/14/553931314.db2.gz	NWFTXQGLTACDOM-MTGKDYNDSA-N	-1	0	543.540	0.294	50	10		KCCARM
CN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000097968362	553931510	/nfs/dbraw/zinc/93/15/10/553931510.db2.gz	NWFTXQGLTACDOM-LVSKKATPSA-N	-1	0	543.540	0.294	50	10		KCCARM
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100961829	554542754	/nfs/dbraw/zinc/54/27/54/554542754.db2.gz	GOGQTZPRLPFDGN-LUDQZLGDSA-N	-1	0	557.567	0.684	50	10		KCCARM
CCN1C(=O)[N-]C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)[C@@H]2CN(c4ccccc4)CCN32)C1=O	ZINC000100961833	554542788	/nfs/dbraw/zinc/54/27/88/554542788.db2.gz	GOGQTZPRLPFDGN-PHJXOXRPSA-N	-1	0	557.567	0.684	50	10		KCCARM
COc1ccc(N2C(=O)[N-]C(=O)C(=CNc3ccc4nc5c(=O)n(C)c(=O)n(C)c5nc4c3)C2=O)cc1	ZINC000230142204	572184498	/nfs/dbraw/zinc/18/44/98/572184498.db2.gz	BTMLWHXKJNMISS-PTNGSMBKSA-N	-1	0	501.459	0.768	50	10		KCCARM