smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)CC1=CC(=NNc2ccccc2Cl)C=C(CN(C)C)C1=O	ZINC000006005903	563556982	/nfs/dbraw/zinc/55/69/82/563556982.db2.gz	NGJVZHSVHYZXGL-QZQOTICOSA-N	0	3	346.862	4.584	40	10		EJCBHN
CC[C@@H](c1ccc(O)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001614161	563396822	/nfs/dbraw/zinc/39/68/22/563396822.db2.gz	RTHRKIUDPBOMNO-VQTJNVASSA-N	0	3	327.468	4.847	40	10		EJCBHN
Nc1ccc([N+](=O)[O-])cc1Nc1c2ccccc2nc2ccccc21	ZINC000005390089	563530665	/nfs/dbraw/zinc/53/06/65/563530665.db2.gz	NEMZBHJYPHYCNK-UHFFFAOYSA-N	0	3	330.347	4.622	40	10		EJCBHN
Cc1ccc(C)n1-c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1	ZINC000072216751	563985582	/nfs/dbraw/zinc/98/55/82/563985582.db2.gz	NFLPKUXPNHBONZ-NRFANRHFSA-N	0	3	331.463	4.826	40	10		EJCBHN
CCCCN1c2cc(OC)c(CNC(C)C)cc2C(C)=CC1(C)C	ZINC000223823280	564040920	/nfs/dbraw/zinc/04/09/20/564040920.db2.gz	GLJAPSTVPDDHSJ-UHFFFAOYSA-N	0	3	330.516	4.995	40	10		EJCBHN
CN(C)CC1=CC(=NNc2ccccc2Cl)C=C(CN(C)C)C1=O	ZINC000104312732	204104300	/nfs/dbraw/zinc/10/43/00/204104300.db2.gz	NGJVZHSVHYZXGL-MRCUWXFGSA-N	0	3	346.862	4.584	40	10		EJCBHN
CC[C@@H](c1ccc(O)cc1)[C@@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001614159	563396440	/nfs/dbraw/zinc/39/64/40/563396440.db2.gz	RTHRKIUDPBOMNO-PMACEKPBSA-N	0	3	327.468	4.847	40	10		EJCBHN
Oc1cc2c(cc1O)[C@H](c1c3ccccc3cc3ccccc31)NCC2	ZINC000004724961	563509171	/nfs/dbraw/zinc/50/91/71/563509171.db2.gz	OHZABFMFUVICJD-HSZRJFAPSA-N	0	3	341.410	4.639	40	10		EJCBHN
Oc1cc2c(cc1O)[C@@H](c1c3ccccc3cc3ccccc31)NCC2	ZINC000004724960	210261933	/nfs/dbraw/zinc/26/19/33/210261933.db2.gz	OHZABFMFUVICJD-QHCPKHFHSA-N	0	3	341.410	4.639	40	10		EJCBHN
CC[C@H](c1ccc(O)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001614162	563396843	/nfs/dbraw/zinc/39/68/43/563396843.db2.gz	RTHRKIUDPBOMNO-WOJBJXKFSA-N	0	3	327.468	4.847	40	10		EJCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)cc2)C=C(CN(C)C)C1=O	ZINC000006005908	563556942	/nfs/dbraw/zinc/55/69/42/563556942.db2.gz	SDPLEMKWNZHRLJ-QZQOTICOSA-N	0	3	346.862	4.584	40	10		EJCBHN
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCN1Cc1ccccc1	ZINC000072216812	563985594	/nfs/dbraw/zinc/98/55/94/563985594.db2.gz	CJNJDRIFWPDXMK-OAQYLSRUSA-N	0	3	331.463	4.826	40	10		EJCBHN
CC[C@@H](c1ccc([O-])c(C[NH+](C)C)c1)[C@H](CC)c1ccc(O)cc1	ZINC000001614160	563396783	/nfs/dbraw/zinc/39/67/83/563396783.db2.gz	RTHRKIUDPBOMNO-UXHICEINSA-N	0	3	327.468	4.847	40	10		EJCBHN
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCN1Cc1ccccc1	ZINC000072216811	563985572	/nfs/dbraw/zinc/98/55/72/563985572.db2.gz	CJNJDRIFWPDXMK-NRFANRHFSA-N	0	3	331.463	4.826	40	10		EJCBHN
CN(C)CC1=CC(=NNc2ccc(Cl)cc2)C=C(CN(C)C)C1=O	ZINC000104312754	219373429	/nfs/dbraw/zinc/37/34/29/219373429.db2.gz	SDPLEMKWNZHRLJ-MRCUWXFGSA-N	0	3	346.862	4.584	40	10		EJCBHN
CC1(C)Oc2c(ccc([O-])c2C[NH+]2CCCCC2)C2=C1CCCC2	ZINC000001704292	563405458	/nfs/dbraw/zinc/40/54/58/563405458.db2.gz	JABLKKBLKWEMNH-UHFFFAOYSA-N	0	3	327.468	4.877	40	10		EJCBHN
Cc1ccc(C)n1-c1ccc([C@H]2CCCN2Cc2ccccc2)cn1	ZINC000072216752	563985555	/nfs/dbraw/zinc/98/55/55/563985555.db2.gz	NFLPKUXPNHBONZ-OAQYLSRUSA-N	0	3	331.463	4.826	40	10		EJCBHN