smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)(C)[NH2+]Cc1cc(C(C)(C)C)cc(-c2ccc(Cl)cc2)c1[O-]	ZINC000001568065	563392907	/nfs/dbraw/zinc/39/29/07/563392907.db2.gz	QXEUTSONLCRQHV-UHFFFAOYSA-N	0	3	345.914	5.898	40	10		EKCBHN
CCN(CC)c1ccc(CNc2cc(C)nc3ccc(OC)cc32)cc1	ZINC000001592013	563395135	/nfs/dbraw/zinc/39/51/35/563395135.db2.gz	DSLRVLCJIZGDPH-UHFFFAOYSA-N	0	3	349.478	5.010	40	10		EKCBHN
CC[C@@H](c1ccc(OC)cc1)[C@@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001616028	563396726	/nfs/dbraw/zinc/39/67/26/563396726.db2.gz	YKKNAUUKHXFHON-SFTDATJTSA-N	0	3	341.495	5.150	40	10		EKCBHN
CC[C@@H](c1ccc([O-])c(C[NH+](C)C)c1)[C@H](CC)c1ccc(OC)cc1	ZINC000001616029	563396701	/nfs/dbraw/zinc/39/67/01/563396701.db2.gz	YKKNAUUKHXFHON-RTWAWAEBSA-N	0	3	341.495	5.150	40	10		EKCBHN
CC[C@@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001616030	209768203	/nfs/dbraw/zinc/76/82/03/209768203.db2.gz	YKKNAUUKHXFHON-LEWJYISDSA-N	0	3	341.495	5.150	40	10		EKCBHN
CC[C@H](c1ccc(OC)cc1)[C@H](CC)c1ccc([O-])c(C[NH+](C)C)c1	ZINC000001616031	563396839	/nfs/dbraw/zinc/39/68/39/563396839.db2.gz	YKKNAUUKHXFHON-NHCUHLMSSA-N	0	3	341.495	5.150	40	10		EKCBHN
CC/C(=C(\CC)c1ccc([O-])c(C[NH+](C)C)c1)c1ccc(OC)cc1	ZINC000001641576	563398879	/nfs/dbraw/zinc/39/88/79/563398879.db2.gz	BRCPGBUOFZCYTQ-MRCUWXFGSA-N	0	3	339.479	5.193	40	10		EKCBHN
COc1ccc2c(c1)CCCN2c1c2ccccc2nc2ccccc21	ZINC000004365730	564111700	/nfs/dbraw/zinc/11/17/00/564111700.db2.gz	UHMXXWDGLRSYLJ-UHFFFAOYSA-N	0	3	340.426	5.481	40	10		EKCBHN
CCCCOc1ccc(Nc2c3ccccc3nc3ccccc32)cc1	ZINC000004773616	210275960	/nfs/dbraw/zinc/27/59/60/210275960.db2.gz	HOTUTKMINQLMTA-UHFFFAOYSA-N	0	3	342.442	6.311	40	10		EKCBHN
c1ccc2c(c1)nc1ccccc1c2Nc1ccc2nsnc2c1	ZINC000004797535	210280430	/nfs/dbraw/zinc/28/04/30/210280430.db2.gz	WHPKVELZURZCIE-UHFFFAOYSA-N	0	3	328.400	5.136	40	10		EKCBHN
N#[N+]C=C([O-])c1cc(-c2ccccc2)nc2c(-c3ccccc3)cccc12	ZINC000005699271	563546232	/nfs/dbraw/zinc/54/62/32/563546232.db2.gz	VTFBATKXHSVLDQ-UHFFFAOYSA-N	0	3	349.393	5.052	40	10		EKCBHN
Cc1ccc(C)n1-c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1	ZINC000072216788	563985589	/nfs/dbraw/zinc/98/55/89/563985589.db2.gz	SVAYTTYVPQLFDH-QFIPXVFZSA-N	0	3	345.490	5.216	40	10		EKCBHN
Cc1ccc(C)n1-c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1	ZINC000072216789	563985565	/nfs/dbraw/zinc/98/55/65/563985565.db2.gz	SVAYTTYVPQLFDH-JOCHJYFZSA-N	0	3	345.490	5.216	40	10		EKCBHN
Cc1ccc(C)n1-c1ncccc1[C@@H]1CCCCN1Cc1ccccc1	ZINC000072216848	563985559	/nfs/dbraw/zinc/98/55/59/563985559.db2.gz	BJBKWCHCRNDHCF-QFIPXVFZSA-N	0	3	345.490	5.216	40	10		EKCBHN
Cc1ccc(C)n1-c1ncccc1[C@H]1CCCCN1Cc1ccccc1	ZINC000072216849	563985569	/nfs/dbraw/zinc/98/55/69/563985569.db2.gz	BJBKWCHCRNDHCF-JOCHJYFZSA-N	0	3	345.490	5.216	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNCCC)cc2[C@@H](C)CC1(C)C	ZINC000223787645	564040857	/nfs/dbraw/zinc/04/08/57/564040857.db2.gz	YVNJLPXKHDGUTR-HNNXBMFYSA-N	0	3	336.951	5.732	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNC(C)C)cc2[C@@H](C)CC1(C)C	ZINC000223789878	564040855	/nfs/dbraw/zinc/04/08/55/564040855.db2.gz	RDNGRWFQFIMYCE-HNNXBMFYSA-N	0	3	336.951	5.730	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNCCC)cc2C(C)=CC1(C)C	ZINC000223802373	564040904	/nfs/dbraw/zinc/04/09/04/564040904.db2.gz	SLHHFVYAQUWLNH-UHFFFAOYSA-N	0	3	334.935	5.642	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNC(C)C)cc2C(C)=CC1(C)C	ZINC000223822442	564040922	/nfs/dbraw/zinc/04/09/22/564040922.db2.gz	GLFONFGVGSFQAJ-UHFFFAOYSA-N	0	3	334.935	5.640	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNC(C)C)cc2[C@H](C)CC1(C)C	ZINC000260722656	564132535	/nfs/dbraw/zinc/13/25/35/564132535.db2.gz	RDNGRWFQFIMYCE-OAHLLOKOSA-N	0	3	336.951	5.730	40	10		EKCBHN
CCCCN1c2cc(Cl)c(CNCCC)cc2[C@H](C)CC1(C)C	ZINC000260726511	564132557	/nfs/dbraw/zinc/13/25/57/564132557.db2.gz	YVNJLPXKHDGUTR-OAHLLOKOSA-N	0	3	336.951	5.732	40	10		EKCBHN