smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(C(=O)C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc2n1C	ZINC000217389568	570315325	/nfs/dbraw/zinc/31/53/25/570315325.db2.gz	HJQQSNSCGVGIRI-DLBZAZTESA-N	1	1	375.472	2.950	40	70		GFIBMO
Cc1c(C(=O)C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c2ccccc2n1C	ZINC000217389568	570315328	/nfs/dbraw/zinc/31/53/28/570315328.db2.gz	HJQQSNSCGVGIRI-DLBZAZTESA-N	1	1	375.472	2.950	40	70		GFIBMO
COc1ccc2c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc2c1	ZINC000217565676	570318022	/nfs/dbraw/zinc/31/80/22/570318022.db2.gz	HQXUKSDVAQHLDV-GOEBONIOSA-N	1	1	378.428	2.583	40	70		GFIBMO
C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1	ZINC000216909358	570309188	/nfs/dbraw/zinc/30/91/88/570309188.db2.gz	LKVCEULHJFGBAX-MRXNPFEDSA-N	1	1	379.526	2.532	40	70		GFIBMO
CCOC(=O)c1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1	ZINC000216852497	136203143	/nfs/dbraw/zinc/20/31/43/136203143.db2.gz	OGYHNGMPRVWWQM-UHFFFAOYSA-N	1	1	387.509	2.871	40	70		GFIBMO
COc1ccc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1	ZINC000217563423	570318280	/nfs/dbraw/zinc/31/82/80/570318280.db2.gz	DHWIYPVIRPQSNX-GOEBONIOSA-N	1	1	378.428	2.583	40	70		GFIBMO
C[NH+]1CCN(c2cc(Nc3ccc(I)cc3)ncn2)CC1	ZINC000216846705	136203195	/nfs/dbraw/zinc/20/31/95/136203195.db2.gz	RDJOIFKOOJDMDX-UHFFFAOYSA-N	1	1	395.248	2.577	40	70		GFIBMO
C[N@H+]1CCC[C@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1	ZINC000216909388	570308926	/nfs/dbraw/zinc/30/89/26/570308926.db2.gz	LKVCEULHJFGBAX-INIZCTEOSA-N	1	1	379.526	2.532	40	70		GFIBMO
COc1ccc(OC)c(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)c1	ZINC000216852209	136203131	/nfs/dbraw/zinc/20/31/31/136203131.db2.gz	ZQWUQJQXVKRFPP-UHFFFAOYSA-N	1	1	375.498	2.711	40	70		GFIBMO
COc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)c(OC)c1	ZINC000216852170	136203199	/nfs/dbraw/zinc/20/31/99/136203199.db2.gz	VPPLDWGWBUODJR-UHFFFAOYSA-N	1	1	375.498	2.711	40	70		GFIBMO
Cc1c(O)ccc2c(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)cc(=O)oc12	ZINC000217533072	570317676	/nfs/dbraw/zinc/31/76/76/570317676.db2.gz	WAODNQLSDGFDDI-GOEBONIOSA-N	1	1	378.428	2.588	40	70		GFIBMO
COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccc(Cl)cc1	ZINC000216844332	211744890	/nfs/dbraw/zinc/74/48/90/211744890.db2.gz	OEBFLMBRXOKJIL-UHFFFAOYSA-N	1	1	387.867	2.989	40	70		GFIBMO
COc1ccc(-c2noc(C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2)cc1	ZINC000217560229	570318289	/nfs/dbraw/zinc/31/82/89/570318289.db2.gz	SRWKKHYVCDLJAR-GOEBONIOSA-N	1	1	378.432	2.526	40	70		GFIBMO
COc1ccc(-c2noc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)n2)cc1	ZINC000217560229	570318295	/nfs/dbraw/zinc/31/82/95/570318295.db2.gz	SRWKKHYVCDLJAR-GOEBONIOSA-N	1	1	378.432	2.526	40	70		GFIBMO
COc1ccc(Nc2cc(N3CC[NH+](C)CC3)nc(SC)n2)cc1OC	ZINC000216852251	136203129	/nfs/dbraw/zinc/20/31/29/136203129.db2.gz	MBQPFCMXOWZUNA-UHFFFAOYSA-N	1	1	375.498	2.711	40	70		GFIBMO