smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(c4ccc(Cl)cc4)C1=O)[N@H+](C)CC3)OCO2	ZINC000002091272	551758700	/nfs/dbraw/zinc/75/87/00/551758700.db2.gz	FBJUFGDGFZANNP-LPPOOGIUSA-N	-1	2	514.991	2.528	50	10	biogenic	KFCALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)cc2)nc(OC)n1	ZINC000006088729	552530405	/nfs/dbraw/zinc/53/04/05/552530405.db2.gz	BCMAQMOGOIOIEE-ATVHPVEESA-N	-1	2	558.960	2.527	50	10		KFCALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)nc(OC)n1	ZINC000008429925	553020613	/nfs/dbraw/zinc/02/06/13/553020613.db2.gz	PKCAGNUUKGQAGF-ATVHPVEESA-N	-1	2	558.960	2.527	50	10		KFCALM
COc1ccc(N2C(=O)NC(=O)C(=Cc3cc(Br)c(OCC(=O)[O-])c(OC)c3)C2=O)cc1	ZINC000008432749	553027124	/nfs/dbraw/zinc/02/71/24/553027124.db2.gz	OOHOTHYBLCDOCW-AUWJEWJLSA-N	-1	2	505.277	2.596	50	10		KFCALM
COc1c2c(cc3c1[C@H](CNC=C1C(=O)NC(=S)N(c4ccc(Br)cc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000070673678	553604039	/nfs/dbraw/zinc/60/40/39/553604039.db2.gz	CPGSATOWKWGYHF-KGZWWPETSA-N	-1	2	559.442	2.637	50	10	biogenic	KFCALM
COc1c2c(cc3c1[C@@H](CNC=C1C(=O)NC(=S)N(c4ccc(Br)cc4)C1=O)[N@@H+](C)CC3)OCO2	ZINC000070673681	553604094	/nfs/dbraw/zinc/60/40/94/553604094.db2.gz	CPGSATOWKWGYHF-BRVCPTFNSA-N	-1	2	559.442	2.637	50	10	biogenic	KFCALM
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(C)c4)C3=O)cc2)s1	ZINC000095471568	553701468	/nfs/dbraw/zinc/70/14/68/553701468.db2.gz	XMFIWLDRHUPPHN-ATVHPVEESA-N	-1	2	512.573	2.789	50	10		KFCALM
CCc1nnc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4ccc(C)cc4)C3=O)cc2)s1	ZINC000095471600	553701455	/nfs/dbraw/zinc/70/14/55/553701455.db2.gz	UBXSFWIWGLACSK-ATVHPVEESA-N	-1	2	512.573	2.789	50	10		KFCALM
COc1cc(NS(=O)(=O)c2ccc(NC=C3C(=O)[N-]C(=O)N(c4cccc(Cl)c4)C3=O)cc2)nc(OC)n1	ZINC000102780000	555065423	/nfs/dbraw/zinc/06/54/23/555065423.db2.gz	PKCAGNUUKGQAGF-SFQUDFHCSA-N	-1	2	558.960	2.527	50	10		KFCALM