smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+]1(CC2=C(C(=O)[O-])N3C(=O)[C@@H](NC=O)[C@H]3SC2)CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(CCF)c3c2F)CC1	ZINC000003934407	561688223	/nfs/dbraw/zinc/68/82/23/561688223.db2.gz	AVOYRYPUOAKYMY-HOYKHHGWSA-O	0	2	610.591	0.582	1	5		KCBFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)N[C@@H](O)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)s1	ZINC000028373335	561918707	/nfs/dbraw/zinc/91/87/07/561918707.db2.gz	IBIQLEWQPHHHEE-KBPBESRZSA-N	0	2	575.632	0.233	1	5		KCBFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)N[C@H](O)[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc2)s1	ZINC000028373343	561918761	/nfs/dbraw/zinc/91/87/61/561918761.db2.gz	IBIQLEWQPHHHEE-UONOGXRCSA-N	0	2	575.632	0.233	1	5		KCBFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)N[C@@H](O)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)s1	ZINC000028373350	561918769	/nfs/dbraw/zinc/91/87/69/561918769.db2.gz	IBIQLEWQPHHHEE-KGLIPLIRSA-N	0	2	575.632	0.233	1	5		KCBFLN
NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NC(=S)N[C@H](O)[C@H](O)c3ccc([N+](=O)[O-])cc3)cc2)s1	ZINC000028373358	561918721	/nfs/dbraw/zinc/91/87/21/561918721.db2.gz	IBIQLEWQPHHHEE-ZIAGYGMSSA-N	0	2	575.632	0.233	1	5		KCBFLN
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](C)NC(=O)c1ccccc1N)C(C)C)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000049841274	562688182	/nfs/dbraw/zinc/68/81/82/562688182.db2.gz	ZWRMQHNRFQOXIG-CXZWWHDOSA-N	0	2	684.751	0.002	1	5		KCBFLN
CC(C)C[C@H](NC(=O)CNC(=O)c1ccccc1N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(N)=O	ZINC000049841555	562688489	/nfs/dbraw/zinc/68/84/89/562688489.db2.gz	CUTQWBILVNWJFF-QKDODKLFSA-N	0	2	718.768	0.200	1	5		KCBFLN
COc1c(O)cc2c(=O)oc3c(OC)c(O[C@H]4O[C@@H](COC(C)=O)[C@H](O)[C@H]4O)cc4c(=O)oc1c2c43	ZINC000095910764	560058397	/nfs/dbraw/zinc/05/83/97/560058397.db2.gz	UFGVLQGZCBHNDK-QZELAMJNSA-N	0	2	504.400	0.602	1	5	biogenic,in-vitro	KCBFLN
COc1cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](O)[C@@H](OC(C)=O)[C@H]4O)c(O)cc4c(=O)oc(c1O)c2c43	ZINC000095913624	560056524	/nfs/dbraw/zinc/05/65/24/560056524.db2.gz	JFIWHMRRJGPZEK-LYRFOVKVSA-N	0	2	504.400	0.687	1	5	biogenic,in-vitro	KCBFLN
COc1cc2c(=O)oc3c(O[C@H]4O[C@@H](C)[C@H](OC(C)=O)[C@@H](O)[C@H]4O)c(O)cc4c(=O)oc(c1O)c2c43	ZINC000095913625	291670048	/nfs/dbraw/zinc/67/00/48/291670048.db2.gz	ILOSVJPHSSUARJ-DIAYPIKYSA-N	0	2	504.400	0.687	1	5	biogenic,in-vitro	KCBFLN