smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1	ZINC000049113147	581091467	/nfs/dbraw/zinc/09/14/67/581091467.db2.gz	ZVFRNYFWZZIAIU-UHFFFAOYSA-N	0	3	413.525	3.858	1	0		HHAFHN
CN(C)CCOc1ccc(C=Cc2cc(-c3cc4c(nc[nH]c4=O)[nH]3)ccn2)cc1	ZINC000035285617	581097482	/nfs/dbraw/zinc/09/74/82/581097482.db2.gz	RLAJOHAIIACFAM-ZZXKWVIFSA-N	0	3	401.470	3.836	1	0		HHAFHN
COc1ccc2c(c1O)-c1cc(ccc1[O-])CCC(=O)O[C@H]1C[C@@H]3CCC[NH2+][C@H]3[C@H]2C1	ZINC000070454057	291255572	/nfs/dbraw/zinc/25/55/72/291255572.db2.gz	FPUGEZQMCZNKFY-VUNWAWHJSA-N	0	3	423.509	3.877	1	0	biogenic,in-vitro	HHAFHN
Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN[C@@H](C)C3)nc2n2cncc12	ZINC000003820980	132268887	/nfs/dbraw/zinc/26/88/87/132268887.db2.gz	PUNYTBZWCMNSRO-AWEZNQCLSA-N	0	3	407.909	3.781	1	0	in-vivo	HHAFHN
Cc1ccc2c(cccc2N2CCN(CCc3ccc4c(c3)NC(=O)CO4)[C@@H](C)C2)n1	ZINC000003959333	132269582	/nfs/dbraw/zinc/26/95/82/132269582.db2.gz	DZBLKVHBOHYUNY-SFHVURJKSA-N	0	3	416.525	3.627	1	0		HHAFHN
CCN(CC)CCC(=O)c1ccc(O[C@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040846606	581095483	/nfs/dbraw/zinc/09/54/83/581095483.db2.gz	JOWBTMNHXTYWFA-QHCPKHFHSA-N	0	3	411.498	3.805	1	0		HHAFHN
Cc1cccc(Cl)c1Nc1nc2cc(N(C)CCN(C)C)ncc2n2cncc12	ZINC000013582058	581092872	/nfs/dbraw/zinc/09/28/72/581092872.db2.gz	MCURPMGVRXUJQC-UHFFFAOYSA-N	0	3	409.925	3.981	1	0		HHAFHN
CCN(CC)CCC(=O)c1ccc(O[C@@H]2Cc3cc(OC)c(OC)cc3C2=O)cc1	ZINC000040846604	581095490	/nfs/dbraw/zinc/09/54/90/581095490.db2.gz	JOWBTMNHXTYWFA-HSZRJFAPSA-N	0	3	411.498	3.805	1	0		HHAFHN
O=S(=O)(c1cccc(Cl)c1)n1ccc2c1ccc(Cl)c2N1CCNCC1	ZINC000003961862	132269492	/nfs/dbraw/zinc/26/94/92/132269492.db2.gz	IAOGIUYLCUOQQA-UHFFFAOYSA-N	0	3	410.326	3.595	1	0		HHAFHN
Cc1cc2nc(C)ccc2c(N2CCN(CCc3ccc4c(c3)NC(=O)CO4)CC2)c1	ZINC000003959324	132269533	/nfs/dbraw/zinc/26/95/33/132269533.db2.gz	DHKSBFZUOUSCJC-UHFFFAOYSA-N	0	3	416.525	3.547	1	0		HHAFHN
Oc1ccc2c3c1O[C@@H]1c4oc5ccccc5c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314	ZINC000003874477	560191141	/nfs/dbraw/zinc/19/11/41/560191141.db2.gz	ZHVWWEYETMPAMX-YEHREXKJSA-N	0	3	415.489	3.838	3	0	in-vitro	HHAFHN
COc1cccc(C(=O)NCCCCN2CCN(c3nccc4ccccc43)CC2)c1	ZINC000012356402	581096098	/nfs/dbraw/zinc/09/60/98/581096098.db2.gz	MGZOXAOAEVISHM-UHFFFAOYSA-N	0	3	418.541	3.576	1	0		HHAFHN
Cc1cc(C)n(-c2cc(NC(=O)CC3CCN(C)CC3)nc(-c3ccc(C)o3)n2)n1	ZINC000014975554	581091572	/nfs/dbraw/zinc/09/15/72/581091572.db2.gz	BKVXJUVJYOXVBD-UHFFFAOYSA-N	0	3	408.506	3.518	1	0		HHAFHN
O=C(N[C@H]1CC[C@H]2C[C@@H](N3CCN(c4ccccn4)CC3)CC[C@@H]2C1)c1ccccc1	ZINC000012356390	132359041	/nfs/dbraw/zinc/35/90/41/132359041.db2.gz	OVQXIVRARLGKOO-SBFWRKJZSA-N	0	3	418.585	3.971	1	0		HHAFHN
Cc1nn(-c2cccc(Cl)c2C)c2nc(C)cc(C(=O)NCCN3CCCC3)c12	ZINC000020579143	527535651	/nfs/dbraw/zinc/53/56/51/527535651.db2.gz	HYHNJNGHGUPNNR-UHFFFAOYSA-N	0	3	411.937	3.825	1	0		HHAFHN