smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CCC(Oc2ccc(CNC(=O)CCc3ccccc3)cc2)CC1	ZINC000216931191	523783353	/nfs/dbraw/zinc/78/33/53/523783353.db2.gz	VOBROVVAZGWGRF-UHFFFAOYSA-N	0	3	352.478	3.409	40	70		FGIBHN
Cc1ccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000216947886	524640188	/nfs/dbraw/zinc/64/01/88/524640188.db2.gz	JKDNUHJFDRUHDB-UHFFFAOYSA-N	0	3	374.506	3.410	40	70		FGIBHN
Cc1ccccc1CS(=O)(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000216947719	525182107	/nfs/dbraw/zinc/18/21/07/525182107.db2.gz	QSTHUMPYAXUROJ-UHFFFAOYSA-N	0	3	374.506	3.410	40	70		FGIBHN
Cc1cccc(CS(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)c1	ZINC000216947794	524455378	/nfs/dbraw/zinc/45/53/78/524455378.db2.gz	IQQAVWFNYGJNDX-UHFFFAOYSA-N	0	3	374.506	3.410	40	70		FGIBHN
C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1)c1ccccc1	ZINC000216908253	525239234	/nfs/dbraw/zinc/23/92/34/525239234.db2.gz	IGFLEPVWCPSTCO-WMZOPIPTSA-N	0	3	365.477	3.458	40	70		FGIBHN
CCOC(=O)c1c2c(sc1NC(=O)[C@H]1CCCN(C)C1)CCCC2	ZINC000216908796	496993584	/nfs/dbraw/zinc/99/35/84/496993584.db2.gz	TZRGBRQEZZKXDA-LBPRGKRZSA-N	0	3	350.484	3.084	40	70		FGIBHN
CCOC(=O)c1c2c(sc1NC(=O)[C@@H]1CCCN(C)C1)CCCC2	ZINC000216908769	496993239	/nfs/dbraw/zinc/99/32/39/496993239.db2.gz	TZRGBRQEZZKXDA-GFCCVEGCSA-N	0	3	350.484	3.084	40	70		FGIBHN
Cc1cc(I)ccc1NC(=O)CC1CCN(C)CC1	ZINC000216895015	496993200	/nfs/dbraw/zinc/99/32/00/496993200.db2.gz	HUAIKBMSFSDWPH-UHFFFAOYSA-N	0	3	372.250	3.270	40	70		FGIBHN
COc1cccc(OC)c1C(=O)Nc1ccc(OC2CCN(C)CC2)cc1	ZINC000216930198	526219069	/nfs/dbraw/zinc/21/90/69/526219069.db2.gz	WDFIHJJWVVZUIJ-UHFFFAOYSA-N	0	3	370.449	3.429	40	70		FGIBHN
COc1ccc(CC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217020414	523910122	/nfs/dbraw/zinc/91/01/22/523910122.db2.gz	ZDKOFTUUDTUQPT-UHFFFAOYSA-N	0	3	354.450	3.349	40	70		FGIBHN
COc1ccc(/C=C(/C(=O)NC2CCN(C)CC2)c2ccccc2)cc1	ZINC000216929737	523379543	/nfs/dbraw/zinc/37/95/43/523379543.db2.gz	GMRPSTOKBZNWFW-LTGZKZEYSA-N	0	3	350.462	3.446	40	70		FGIBHN
Cc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217020667	524265822	/nfs/dbraw/zinc/26/58/22/524265822.db2.gz	UZWSNHXJWYPGJD-UHFFFAOYSA-N	0	3	352.478	3.327	40	70		FGIBHN
C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1	ZINC000216920401	525351216	/nfs/dbraw/zinc/35/12/16/525351216.db2.gz	XQVYKCBBPSUMCS-MRXNPFEDSA-N	0	3	365.477	3.458	40	70		FGIBHN
COC(=O)c1c2c(sc1NC(=O)CC1CCN(C)CC1)CCCC2	ZINC000216895183	206360784	/nfs/dbraw/zinc/36/07/84/206360784.db2.gz	ZFYNFTYOQNWIRO-UHFFFAOYSA-N	0	3	350.484	3.084	40	70		FGIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)N2CCCCCC2)CC1	ZINC000216896460	206361200	/nfs/dbraw/zinc/36/12/00/206361200.db2.gz	IILVDQTWDSUPCM-UHFFFAOYSA-N	0	3	357.498	3.373	40	70		FGIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)NCc2ccccc2)CC1	ZINC000216894435	523755843	/nfs/dbraw/zinc/75/58/43/523755843.db2.gz	BSYKOIOIACALHM-UHFFFAOYSA-N	0	3	365.477	3.287	40	70		FGIBHN
COc1ccc(CC(=O)NCc2ccc(OC3CCN(C)CC3)cc2)cc1	ZINC000217020480	523902884	/nfs/dbraw/zinc/90/28/84/523902884.db2.gz	SRGDSMZBCPXEFC-UHFFFAOYSA-N	0	3	368.477	3.027	40	70		FGIBHN
CN1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1	ZINC000216921647	523751492	/nfs/dbraw/zinc/75/14/92/523751492.db2.gz	OJWJEALEDIVIPA-UHFFFAOYSA-N	0	3	356.441	3.363	40	70		FGIBHN
CN1CCC(CC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CC1	ZINC000216897700	523754041	/nfs/dbraw/zinc/75/40/41/523754041.db2.gz	OWXJCNKHAHJICE-UHFFFAOYSA-N	0	3	369.431	3.086	40	70		FGIBHN
C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1	ZINC000216908195	525238847	/nfs/dbraw/zinc/23/88/47/525238847.db2.gz	IGFLEPVWCPSTCO-FUHWJXTLSA-N	0	3	365.477	3.458	40	70		FGIBHN
COc1ccccc1C(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000216931146	524353191	/nfs/dbraw/zinc/35/31/91/524353191.db2.gz	RZRJDJMJJOEELB-UHFFFAOYSA-N	0	3	354.450	3.098	40	70		FGIBHN
C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(C)CC1)c1ccccc1	ZINC000216920425	525239323	/nfs/dbraw/zinc/23/93/23/525239323.db2.gz	XQVYKCBBPSUMCS-INIZCTEOSA-N	0	3	365.477	3.458	40	70		FGIBHN
C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(C)C1)c1ccccc1	ZINC000216908167	525351645	/nfs/dbraw/zinc/35/16/45/525351645.db2.gz	IGFLEPVWCPSTCO-SJLPKXTDSA-N	0	3	365.477	3.458	40	70		FGIBHN
CN1CCC(CC(=O)Nc2ccccc2C(=O)NC2CCCCC2)CC1	ZINC000216894333	523755108	/nfs/dbraw/zinc/75/51/08/523755108.db2.gz	LYZXDINKRLFLLQ-UHFFFAOYSA-N	0	3	357.498	3.420	40	70		FGIBHN
Cc1ccccc1OCC(=O)NCc1ccc(OC2CCN(C)CC2)cc1	ZINC000216925089	525278747	/nfs/dbraw/zinc/27/87/47/525278747.db2.gz	FMBFUPUCXFEPGB-UHFFFAOYSA-N	0	3	368.477	3.163	40	70		FGIBHN
CCOC(=O)c1c2c(sc1NC(=O)C1CCN(C)CC1)CCCC2	ZINC000216920526	496993528	/nfs/dbraw/zinc/99/35/28/496993528.db2.gz	MAXRXSFBNOJHEW-UHFFFAOYSA-N	0	3	350.484	3.084	40	70		FGIBHN
C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(C)C1)c1ccccc1	ZINC000216908226	525351505	/nfs/dbraw/zinc/35/15/05/525351505.db2.gz	IGFLEPVWCPSTCO-AEFFLSMTSA-N	0	3	365.477	3.458	40	70		FGIBHN