smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)N1CCN(Cc2c3c(c(C)cc2O)C(=O)/C(=C/c2cccnc2)O3)CC1	ZINC000041585995	520953206	/nfs/dbraw/zinc/95/32/06/520953206.db2.gz	QMBFAZKEEILVMU-UNOMPAQXSA-N	0	1	423.469	2.986	10	30		HFEEMN
C[C@H](NC(=O)N1CCC[C@@H](c2[nH]ncc2C(=O)N(C)C)C1)c1nc(C(C)(C)C)no1	ZINC000328605262	569418014	/nfs/dbraw/zinc/41/80/14/569418014.db2.gz	MXEIAHVCRUBVSY-QWHCGFSZSA-N	0	1	417.514	2.647	10	30		HFEEMN
N#Cc1cccc(NC(=O)[C@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1	ZINC000046017307	568423715	/nfs/dbraw/zinc/42/37/15/568423715.db2.gz	LJTIYQJQGXMKHY-KRWDZBQOSA-N	0	1	400.442	2.834	10	30		HFEEMN
N#Cc1cccc(NC(=O)[C@@H]2CCCN(C(=O)c3cc(-c4ccncc4)[nH]n3)C2)c1	ZINC000046017304	568423718	/nfs/dbraw/zinc/42/37/18/568423718.db2.gz	LJTIYQJQGXMKHY-QGZVFWFLSA-N	0	1	400.442	2.834	10	30		HFEEMN
COc1ccc(C#N)cc1CN1CCC(OC)(c2nc(-c3cnccn3)no2)CC1	ZINC000583615915	560776306	/nfs/dbraw/zinc/77/63/06/560776306.db2.gz	OQRPKRIBXWFZLG-UHFFFAOYSA-N	0	1	406.446	2.545	10	30		HFEEMN
C=CCN1c2ccccc2[C@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCN12	ZINC000033821821	518878519	/nfs/dbraw/zinc/87/85/19/518878519.db2.gz	CEBPPLHARXWWJP-NAZDKBRTSA-N	0	1	413.477	2.698	10	30		HFEEMN
CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000328602935	569416744	/nfs/dbraw/zinc/41/67/44/569416744.db2.gz	DGDINKXDAJMLLC-INIZCTEOSA-N	0	1	408.506	2.929	10	30		HFEEMN
CC(C)(O)C#Cc1ccc(CN2CCN(CCc3ccccc3)[C@H](CCO)C2)s1	ZINC000038149463	519330579	/nfs/dbraw/zinc/33/05/79/519330579.db2.gz	CNUQDVNTCHLETJ-OAQYLSRUSA-N	0	1	412.599	2.982	10	30		HFEEMN
C#CCOC[C@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000169677974	569126709	/nfs/dbraw/zinc/12/67/09/569126709.db2.gz	UECFPFUEBHACTF-GGAORHGYSA-N	0	1	408.498	2.701	10	30		HFEEMN
C#CCOC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000036146983	518304985	/nfs/dbraw/zinc/30/49/85/518304985.db2.gz	UECFPFUEBHACTF-JTHBVZDNSA-N	0	1	408.498	2.701	10	30		HFEEMN
C[C@H](NC(=O)N1CCC[C@H](c2[nH]ncc2C(=O)N(C)C)C1)c1nc(C(C)(C)C)no1	ZINC000328605263	569418007	/nfs/dbraw/zinc/41/80/07/569418007.db2.gz	MXEIAHVCRUBVSY-STQMWFEESA-N	0	1	417.514	2.647	10	30		HFEEMN
C#CCOC[C@@H](O)CN(Cc1cccc(OC)c1)C[C@@H]1CC(c2ccccc2)=NO1	ZINC000036146980	518305895	/nfs/dbraw/zinc/30/58/95/518305895.db2.gz	UECFPFUEBHACTF-GMAHTHKFSA-N	0	1	408.498	2.701	10	30		HFEEMN
C#CCOC[C@H](O)CN(Cc1cccc(OC)c1)C[C@H]1CC(c2ccccc2)=NO1	ZINC000104983252	560859027	/nfs/dbraw/zinc/85/90/27/560859027.db2.gz	UECFPFUEBHACTF-FYYLOGMGSA-N	0	1	408.498	2.701	10	30		HFEEMN
CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)NCCc2c[nH]c3ccccc23)C1	ZINC000328602936	569416794	/nfs/dbraw/zinc/41/67/94/569416794.db2.gz	DGDINKXDAJMLLC-MRXNPFEDSA-N	0	1	408.506	2.929	10	30		HFEEMN
COCCCn1nccc1[C@H]1OCC[C@@H]1C(=O)NCCc1nnc(-c2ccccc2)[nH]1	ZINC000328605602	569418096	/nfs/dbraw/zinc/41/80/96/569418096.db2.gz	ODGQLZMGAXGZBS-PXNSSMCTSA-N	0	1	424.505	2.982	10	30		HFEEMN
Cc1cc([N+](=O)[O-])nn1CC(=O)ONC(=N)c1ccc(OCc2ccccc2)cc1	ZINC000020353692	558357062	/nfs/dbraw/zinc/35/70/62/558357062.db2.gz	JQQXGZSEGLMYDS-UHFFFAOYSA-N	0	1	409.402	2.542	10	30		HFEEMN