smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1N(c2ccc(Cl)c(Cl)c2)CCCN1[C@H](CN1CCCC1)c1ccccc1	ZINC000000598524	132229024	/nfs/dbraw/zinc/22/90/24/132229024.db2.gz	NPDBPGDSXQAMCB-OAQYLSRUSA-N	0	3	418.368	5.463	1	0		HKAFHN
COc1cccc2c(-c3c(O)cc(OC)c4c3C[C@@H](C)N(C)[C@@H]4C)c(C)cc(OC)c12	ZINC000001635104	291294201	/nfs/dbraw/zinc/29/42/01/291294201.db2.gz	DJKKAJMAHBJDCM-HZPDHXFCSA-N	0	3	421.537	5.484	1	0	biogenic,in-vitro	HKAFHN
CCN(CCCCCCC(=O)c1ccc(OC)c(OC)c1)Cc1ccccc1OC	ZINC000003785303	581095496	/nfs/dbraw/zinc/09/54/96/581095496.db2.gz	LBJJMNMZFVILMW-UHFFFAOYSA-N	0	3	413.558	5.368	1	0		HKAFHN
CCN(CCCCCC(=O)c1ccc(N2CCCC2)cc1)Cc1ccccc1OC	ZINC000003785311	581095532	/nfs/dbraw/zinc/09/55/32/581095532.db2.gz	GGFUMRNRAPYKQU-UHFFFAOYSA-N	0	3	408.586	5.561	1	0		HKAFHN
CN1CCCC[C@H]1[C@@H](NC(=O)c1cccc(C(F)(F)F)c1Cl)c1ccccc1	ZINC000003819066	560189718	/nfs/dbraw/zinc/18/97/18/560189718.db2.gz	XPXKFXNVIAOBEI-HKUYNNGSSA-N	0	3	410.867	5.314	1	0	in-vitro	HKAFHN
Cc1nc2ccccc2c(Nc2ccc(N3CCN(C)[C@@H](C)C3)cc2)c1-c1ccccc1	ZINC000003962678	132269566	/nfs/dbraw/zinc/26/95/66/132269566.db2.gz	IJXRJXMYHWPNMW-FQEVSTJZSA-N	0	3	422.576	6.094	1	0		HKAFHN
COc1cccc2c1c(OC)cc(C)c2-c1c(O)cc2c(c1OC)[C@@H](C)N[C@@H](C)C2	ZINC000013359041	291293392	/nfs/dbraw/zinc/29/33/92/291293392.db2.gz	RPYYNECGOSGRFR-LSDHHAIUSA-N	0	3	407.510	5.142	1	0	biogenic,in-vitro	HKAFHN
COc1ccc(-c2c(OC)cc(OC)c3c2C[C@H](C)N[C@H]3C)c2cc(C)cc(OC)c12	ZINC000013359122	291294373	/nfs/dbraw/zinc/29/43/73/291294373.db2.gz	DVVAMMKTYAWPGW-HOTGVXAUSA-N	0	3	421.537	5.445	1	0	biogenic,in-vitro	HKAFHN
CC(C)c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1	ZINC000013834332	581093226	/nfs/dbraw/zinc/09/32/26/581093226.db2.gz	WVUPZIZUIDNXGW-UHFFFAOYSA-N	0	3	423.578	5.826	1	0		HKAFHN
Cc1nc2cccc(F)c2c(N)c1CSCc1cccc(C(=O)C(F)(F)F)c1	ZINC000013864124	581091647	/nfs/dbraw/zinc/09/16/47/581091647.db2.gz	VPRFBYAXJXJEIV-UHFFFAOYSA-N	0	3	408.420	5.443	1	0		HKAFHN
CN1CCN(CCCn2cc(-c3cncc(-c4ccsc4)c3)c3ccccc32)CC1	ZINC000021290203	581095583	/nfs/dbraw/zinc/09/55/83/581095583.db2.gz	FYOYABXHBTZQMB-UHFFFAOYSA-N	0	3	416.594	5.069	1	0		HKAFHN
CC(C)C[C@H]1CN(c2cc(-c3ccncc3)c(-c3cccc4ccccc43)nn2)CCN1	ZINC000028524537	581095273	/nfs/dbraw/zinc/09/52/73/581095273.db2.gz	KBVXHDANYDKVNW-QFIPXVFZSA-N	0	3	423.564	5.183	1	0		HKAFHN
Cc1nc2cc(-c3ccccc3Cl)nn2c(-c2ccc(Cl)cc2Cl)c1CN	ZINC000038268698	581093298	/nfs/dbraw/zinc/09/32/98/581093298.db2.gz	UJJPXBKJLGYILX-UHFFFAOYSA-N	0	3	417.727	5.791	1	0		HKAFHN
COc1cccc2cc(C)c(-c3c(O)cc4c(c3OC)[C@@H](C)N(C)[C@@H](C)C4)c(O)c21	ZINC000040874580	291293388	/nfs/dbraw/zinc/29/33/88/291293388.db2.gz	UKOYLRKCEGOLOJ-LSDHHAIUSA-N	0	3	407.510	5.181	1	0	biogenic,in-vitro	HKAFHN
CC1=C2C[C@@]34[C@H]5CC[C@@H](C6=CCC7=C6[C@H]3N3C[C@@]36CCC[C@H]6C7)[C@]4(C)[C@]2(CC1)[C@H](C)C5	ZINC000085548172	291290060	/nfs/dbraw/zinc/29/00/60/291290060.db2.gz	ALLKUGHSKORXDO-OCSSWFJUSA-N	0	3	413.649	6.813	1	0	biogenic,in-vitro	HKAFHN
CC1=C2C[C@@]34CC[C@H]5CCC[C@@H](C6=CCC7=C6[C@@H]3N3C[C@]36CCC[C@@H]6C7)[C@]4(C)[C@@]25CC1	ZINC000085548190	291289726	/nfs/dbraw/zinc/28/97/26/291289726.db2.gz	OGBNNUCMJFMTRR-UWIQKGHMSA-N	0	3	413.649	6.957	1	0	biogenic,in-vitro	HKAFHN
COc1cccc2c(-c3c(OC)cc(OC)c4c3C[C@H](C)N(C)[C@@H]4C)ccc(OC)c12	ZINC000095486019	291294382	/nfs/dbraw/zinc/29/43/82/291294382.db2.gz	JTWIKSOWCMKKAL-JKSUJKDBSA-N	0	3	421.537	5.479	1	0	biogenic,in-vitro	HKAFHN
COc1cccc2cc(C)c(-c3c(OC)cc4cc(C)nc(C)c4c3OC)c(O)c21	ZINC000095486218	291294781	/nfs/dbraw/zinc/29/47/81/291294781.db2.gz	JHNOOQUNOVQXIS-UHFFFAOYSA-N	0	3	403.478	5.712	1	0	biogenic,in-vitro	HKAFHN