smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)N1CCN(C(=O)CCNC(=O)[C@@H]2Cc3ccccc3CN2)CC1	ZINC000159445038	243201100	/nfs/dbraw/zinc/20/11/00/243201100.db2.gz	XJWJZMNTWDEAIS-KRWDZBQOSA-N	0	1	358.442	-0.102	20	70		FBIDMN
CC(=O)N1CCN(C(=O)CCNC(=O)[C@H]2Cc3ccccc3CN2)CC1	ZINC000159445182	243198480	/nfs/dbraw/zinc/19/84/80/243198480.db2.gz	XJWJZMNTWDEAIS-QGZVFWFLSA-N	0	1	358.442	-0.102	20	70		FBIDMN
Cc1nc(S(=O)(=O)NCCC(=O)N2C[C@H]3CCC[C@@H](C2)N3)cn1C	ZINC000159723708	243201936	/nfs/dbraw/zinc/20/19/36/243201936.db2.gz	DDWULGCDBBNMGK-BETUJISGSA-N	0	1	355.464	-0.250	20	70		FBIDMN
Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCCC[C@@H]2CO)CC1	ZINC000159732648	484252291	/nfs/dbraw/zinc/25/22/91/484252291.db2.gz	VJSYQSCJQUQRTQ-CQSZACIVSA-N	0	1	373.461	-0.141	20	70		FBIDMN
Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)N3)nc2c1c(=O)n(C)c(=O)n2C	ZINC000160160482	484335508	/nfs/dbraw/zinc/33/55/08/484335508.db2.gz	OQKIPBQTUVKVPB-TXEJJXNPSA-N	0	1	357.414	-0.093	20	70		FBIDMN
CC(C)(C)C(=O)N1CCC(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1	ZINC000160277303	534430225	/nfs/dbraw/zinc/43/02/25/534430225.db2.gz	MBKTUIPQEZRLFR-CQSZACIVSA-N	0	1	350.463	-0.086	20	70		FBIDMN
CC(C)(C)C(=O)N1CCC(CN2CCN3C(=O)C(=O)NC[C@H]3C2)CC1	ZINC000160277428	534429704	/nfs/dbraw/zinc/42/97/04/534429704.db2.gz	MBKTUIPQEZRLFR-AWEZNQCLSA-N	0	1	350.463	-0.086	20	70		FBIDMN
CC(C)C[N@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000160292181	243200711	/nfs/dbraw/zinc/20/07/11/243200711.db2.gz	DOWLRFVGTUNKEO-GFCCVEGCSA-N	0	1	358.464	-0.517	20	70		FBIDMN
CC(C)C[N@@H+]1CCC[C@@H]1C[N-]S(=O)(=O)c1cn(C)c(=O)n(C)c1=O	ZINC000160292181	243200709	/nfs/dbraw/zinc/20/07/09/243200709.db2.gz	DOWLRFVGTUNKEO-GFCCVEGCSA-N	0	1	358.464	-0.517	20	70		FBIDMN
O=C([C@@H]1CC(=O)N(CCN2CCOCC2)C1)N1C[C@H]2CCC[C@@H](C1)N2	ZINC000160418483	243201121	/nfs/dbraw/zinc/20/11/21/243201121.db2.gz	ZPVSSZKIIJRJHC-OAGGEKHMSA-N	0	1	350.463	-0.480	20	70		FBIDMN
Cc1cc(C[C@@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	ZINC000161447761	484910210	/nfs/dbraw/zinc/91/02/10/484910210.db2.gz	YOPGRGMUMGPQAM-MWLCHTKSSA-N	0	1	354.436	-0.134	20	70		FBIDMN
Cc1cc(C[C@H](C)NC(=O)[C@@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	ZINC000161447864	484910958	/nfs/dbraw/zinc/91/09/58/484910958.db2.gz	YOPGRGMUMGPQAM-GXSJLCMTSA-N	0	1	354.436	-0.134	20	70		FBIDMN
Cc1cc(C[C@@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	ZINC000161447993	484910233	/nfs/dbraw/zinc/91/02/33/484910233.db2.gz	YOPGRGMUMGPQAM-KOLCDFICSA-N	0	1	354.436	-0.134	20	70		FBIDMN
Cc1cc(C[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c2cnn(C)c2)n[nH]1	ZINC000161448121	484909777	/nfs/dbraw/zinc/90/97/77/484909777.db2.gz	YOPGRGMUMGPQAM-ONGXEEELSA-N	0	1	354.436	-0.134	20	70		FBIDMN