smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1	ZINC000101317274	559146206	/nfs/dbraw/zinc/14/62/06/559146206.db2.gz	JKQLJCUTVNOPRJ-USHDUVECSA-N	-1	0	416.908	2.196	10	30		HEEERM
CC(=O)OC[C@@H](C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2O	ZINC000100058609	559129292	/nfs/dbraw/zinc/12/92/92/559129292.db2.gz	LWRDWSSDMZOMRX-YBPJVWTPSA-N	-1	0	406.475	2.014	10	30	biogenic	HEEERM
COc1nc(C)nc(NC(=O)N=S(=O)([O-])c2c(Cl)ccc3cccnc32)n1	ZINC000039386964	524968043	/nfs/dbraw/zinc/96/80/43/524968043.db2.gz	XPCAUXVQNLZEEB-UHFFFAOYSA-N	-1	0	408.827	2.105	10	30		HEEERM
COc1cc(OC)nc(NC(=O)N=S(=O)([O-])c2c(Cl)ccc3cccnc32)n1	ZINC000039386961	522890072	/nfs/dbraw/zinc/89/00/72/522890072.db2.gz	BIDRGVYEPQFHLQ-UHFFFAOYSA-N	-1	0	423.838	2.410	10	30		HEEERM
COc1ccccc1N(CCC#N)C(=O)Cn1nc(C(=O)[O-])c2ccccc2c1=O	ZINC000002619265	568786730	/nfs/dbraw/zinc/78/67/30/568786730.db2.gz	UTBUFOPMDZJZCB-UHFFFAOYSA-N	-1	0	406.398	2.050	10	30		HEEERM
N#Cc1cccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)CSCC(=O)[O-])C2)c1	ZINC000005413855	291211388	/nfs/dbraw/zinc/21/13/88/291211388.db2.gz	MMLABRSPOPVGRP-DOTOQJQBSA-N	-1	0	423.494	2.150	10	30	biogenic	HEEERM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1	ZINC000101317267	559146183	/nfs/dbraw/zinc/14/61/83/559146183.db2.gz	JKQLJCUTVNOPRJ-ZZJCVSNXSA-N	-1	0	416.908	2.196	10	30		HEEERM
O=C([O-])CCCC(=O)/N=C1/S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Cl)cc1	ZINC000101317270	527575526	/nfs/dbraw/zinc/57/55/26/527575526.db2.gz	JKQLJCUTVNOPRJ-TXXBVZAJSA-N	-1	0	416.908	2.196	10	30		HEEERM
C=CCn1cc(Br)c([N-]S(=O)(=O)c2ccsc2C(=O)OC)n1	ZINC000095466338	568624124	/nfs/dbraw/zinc/62/41/24/568624124.db2.gz	SHUUQXCKENBXBA-UHFFFAOYSA-N	-1	0	406.283	2.481	10	30		HEEERM
O=C([O-])CCCC(=O)/N=C1/S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)cc1	ZINC000101317269	559146204	/nfs/dbraw/zinc/14/62/04/559146204.db2.gz	JKQLJCUTVNOPRJ-UZXCTNKVSA-N	-1	0	416.908	2.196	10	30		HEEERM
CC(=O)OC[C@H](C)C1=C([O-])C2=C(C(=O)C1=O)[C@@]1(C)CCCC(C)(C)[C@@H]1[C@H](O)[C@H]2O	ZINC000095913327	560056820	/nfs/dbraw/zinc/05/68/20/560056820.db2.gz	LWRDWSSDMZOMRX-QXOXAKRMSA-N	-1	0	406.475	2.014	10	30	biogenic,in-vitro	HEEERM