smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1oc(=O)oc1COC(=O)[C@H]1N2C(=O)[C@H](NC(=O)[C@@H]([NH3+])c3ccccc3)[C@@H]2SC1(C)C	ZINC000011616483	555791878	/nfs/dbraw/zinc/79/18/78/555791878.db2.gz	ZKUKMWMSYCIYRD-AFIMGQEJSA-N	1	1	461.496	0.832	10	0		JCAEMO
COc1ccc(OC)c(S(=O)(=O)N(CCS(=O)(=O)N2CC[NH2+]CC2)C2CCCC2)c1	ZINC000015868831	556047091	/nfs/dbraw/zinc/04/70/91/556047091.db2.gz	RVRSYBQAUKFNCT-UHFFFAOYSA-N	1	1	461.606	0.872	10	0		JCAEMO
Cc1ccc(S(=O)(=O)N(CCCN2CCOCC2)CCS(=O)(=O)N2CC[NH2+]CC2)c(C)c1	ZINC000015868844	556047178	/nfs/dbraw/zinc/04/71/78/556047178.db2.gz	SMSRGGYOAPJXNL-UHFFFAOYSA-N	1	1	488.676	0.251	10	0		JCAEMO
COCCN(CCS(=O)(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)cc1	ZINC000015868893	556047136	/nfs/dbraw/zinc/04/71/36/556047136.db2.gz	JZAAVJDVVBRKLI-UHFFFAOYSA-N	1	1	470.411	0.321	10	0		JCAEMO
COc1ccc(-n2nc(C(=O)NCC(=O)N3CC[NH+](C)CC3)c3ccccc3c2=O)cc1OC	ZINC000020104253	563015626	/nfs/dbraw/zinc/01/56/26/563015626.db2.gz	JBOWNQDKKIANBE-UHFFFAOYSA-N	1	1	465.510	0.907	10	0		JCAEMO
COc1ccc(-n2nc(C(=O)NCC(=O)NCCC[NH+]3CCN(C)CC3)c3ccccc3c2=O)cc1	ZINC000020107284	563015610	/nfs/dbraw/zinc/01/56/10/563015610.db2.gz	UXAXPFPUFRUHEO-UHFFFAOYSA-N	1	1	492.580	0.878	10	0		JCAEMO
Cn1c(CN2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)N2CCOCC2)[N@H+]3C)nc2ccccc21	ZINC000022921144	555975013	/nfs/dbraw/zinc/97/50/13/555975013.db2.gz	YUGIDVJZANTPKM-WGGBDISSSA-N	1	1	454.575	0.585	10	0	biogenic	JCAEMO
CC[N@H+]1C[C@]2(COC)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@@H]32)[C@@H]14	ZINC000030726597	560090827	/nfs/dbraw/zinc/09/08/27/560090827.db2.gz	MODXUQZMEBLSJD-DIZROUMASA-N	1	1	467.603	0.271	10	0	biogenic,in-vitro	JCAEMO
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@@H]([NH3+])c3ccccc3)[C@H]2SC1(C)C	ZINC000087493242	526754263	/nfs/dbraw/zinc/75/42/63/526754263.db2.gz	ZKUKMWMSYCIYRD-JTOWHCCKSA-N	1	1	461.496	0.832	10	0		JCAEMO
Cc1oc(=O)oc1COC(=O)[C@@H]1N2C(=O)[C@@H](NC(=O)[C@H]([NH3+])c3ccccc3)[C@@H]2SC1(C)C	ZINC000095093057	526753700	/nfs/dbraw/zinc/75/37/00/526753700.db2.gz	ZKUKMWMSYCIYRD-BSXFFOKHSA-N	1	1	461.496	0.832	10	0		JCAEMO
Cc1ccc(C[N@H+]2C[C@@H](O)CNS(=O)(=O)c3ccccc3OC[C@]3(C[C@@H](O)[C@@H](O)C3)C2)o1	ZINC000225446470	569997302	/nfs/dbraw/zinc/99/73/02/569997302.db2.gz	PNVLWFRXKYOBCN-FAGZOMQFSA-N	1	1	466.556	0.624	10	0		JCAEMO
Cc1ccc(C[N@@H+]2C[C@@H](O)CNS(=O)(=O)c3ccccc3OC[C@]3(C[C@@H](O)[C@@H](O)C3)C2)o1	ZINC000225446470	569997301	/nfs/dbraw/zinc/99/73/01/569997301.db2.gz	PNVLWFRXKYOBCN-FAGZOMQFSA-N	1	1	466.556	0.624	10	0		JCAEMO