smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCC[C@H](C)Nc1c(-c2c3ccccc3cc3ccccc32)[nH+]c2ccccn21	ZINC000095560093	222354048	/nfs/dbraw/zinc/35/40/48/222354048.db2.gz	GHTJAVZFEZREIC-SFHVURJKSA-N	1	1	379.507	6.908	1	5		GKBFMO
C[N@H+]1CCCC[C@H]1[C@@H](O)c1cc2ccccc2c2cc(Br)ccc21	ZINC000169331696	211636778	/nfs/dbraw/zinc/63/67/78/211636778.db2.gz	YCWVFTQLVFWLNR-SFTDATJTSA-N	1	1	384.317	5.273	1	5		GKBFMO
c1ccc(CNc2c(-c3c4ccccc4cc4ccccc43)[nH+]c3ccccn32)cc1	ZINC000095561676	211276813	/nfs/dbraw/zinc/27/68/13/211276813.db2.gz	NEXMQUDRXQSXQQ-UHFFFAOYSA-N	1	1	399.497	6.920	1	5		GKBFMO
C[C@@H]1CCCC[N@H+]1CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21	ZINC000066075870	211000731	/nfs/dbraw/zinc/00/07/31/211000731.db2.gz	BOGQBTKTOYHFKZ-GOSISDBHSA-N	1	1	394.522	5.765	1	5		GKBFMO
CCOc1cc2c3cc(O)ccc3c3c(c2cc1OCC)C[N@@H+]1CCC[C@H]1C3	ZINC000072126097	222209396	/nfs/dbraw/zinc/20/93/96/222209396.db2.gz	QGRDNLVTYFQXDR-HNNXBMFYSA-N	1	1	377.484	5.017	1	5		GKBFMO
COc1ccc2c(C[N@H+]3CCCC[C@@H]3C)cc3cc(OC)c(OC)cc3c2c1	ZINC000028565757	207343693	/nfs/dbraw/zinc/34/36/93/207343693.db2.gz	OKKDPOYOWHNUFM-INIZCTEOSA-N	1	1	379.500	5.393	1	5		GKBFMO
COc1ccc2c(c1)c1cc(OC)c(OC)cc1c1c2C[N@@H+]2CCCCC[C@@H]2C1	ZINC000072112631	222207500	/nfs/dbraw/zinc/20/75/00/222207500.db2.gz	ZAUIBEGWABIVCD-MRXNPFEDSA-N	1	1	391.511	5.320	1	5		GKBFMO
CC[N@H+]1CCC[C@@H]1CNc1c2c3ccccc3[nH]c2nc2ccc(Cl)cc21	ZINC000040403023	205063506	/nfs/dbraw/zinc/06/35/06/205063506.db2.gz	UXWBASMIMIMPDC-OAHLLOKOSA-N	1	1	378.907	5.419	1	5		GKBFMO
COc1ccc2c(c1)c1cc(OC)c(OC(C)C)cc1c1c2C[N@@H+]2CCC[C@H]2C1	ZINC000028817909	207348223	/nfs/dbraw/zinc/34/82/23/207348223.db2.gz	BXQUEIYFQXNLLH-INIZCTEOSA-N	1	1	391.511	5.318	1	5		GKBFMO
CC(C)(C)Nc1c(-c2c3ccccc3c(Cl)c3ccccc32)[nH+]c2ccccn21	ZINC000095563169	222356151	/nfs/dbraw/zinc/35/61/51/222356151.db2.gz	JYKJOUIEPPLYMX-UHFFFAOYSA-N	1	1	399.925	7.172	1	5		GKBFMO
C[N+](C)(C)CCCCNc1cc(-c2ccc3ccccc3c2)nc2ccccc21	ZINC000029479728	717119372	/nfs/dbraw/zinc/11/93/72/717119372.db2.gz	PTCIHKDPGPBRSN-UHFFFAOYSA-N	1	1	384.547	5.953	1	5		GKBFMO
C[C@H]1CCCC[N@H+]1CCn1c2ccc3ccccc3c2c2nc3ccccc3nc21	ZINC000066075872	205239762	/nfs/dbraw/zinc/23/97/62/205239762.db2.gz	BOGQBTKTOYHFKZ-SFHVURJKSA-N	1	1	394.522	5.765	1	5		GKBFMO
O=c1[nH]c2ccc(CCC[N@@H+]3CC=C(c4ccccc4)CC3)cc2c2ccccc21	ZINC000028525871	581101283	/nfs/dbraw/zinc/10/12/83/581101283.db2.gz	ANKUJWLWOYNWFQ-UHFFFAOYSA-N	1	1	394.518	5.403	1	5		GKBFMO
CCCCCNc1c(-c2c3ccccc3cc3ccccc32)[nH+]c2ccccn21	ZINC000095560770	222354345	/nfs/dbraw/zinc/35/43/45/222354345.db2.gz	RZXMWXPZRVKDJA-UHFFFAOYSA-N	1	1	379.507	6.910	1	5		GKBFMO
O=c1[nH]c2ccc(CC[N@@H+]3CC=C(c4ccccc4)CC3)cc2c2ccccc21	ZINC000040420803	581101276	/nfs/dbraw/zinc/10/12/76/581101276.db2.gz	WIWNWYBDOLZLDF-UHFFFAOYSA-N	1	1	380.491	5.013	1	5		GKBFMO