smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CSCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)[O-]	ZINC000004899522	557611244	/nfs/dbraw/zinc/61/12/44/557611244.db2.gz	KWHAJHJQOWBJEG-KBPBESRZSA-N	-1	1	410.496	-0.889	40	0		HBABMM
O=C([O-])[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)CNC(=O)OCc1ccccc1	ZINC000015722043	558749936	/nfs/dbraw/zinc/74/99/36/558749936.db2.gz	PWNQBHDTOAIVDG-AWEZNQCLSA-N	-1	1	403.395	-0.436	40	0		HBABMM
Cc1cc(=O)[n-]c(SC(C(=O)N2CCN(C)CC2)C(=O)N2CCN(C)CC2)n1	ZINC000016283730	558783540	/nfs/dbraw/zinc/78/35/40/558783540.db2.gz	IJPAVYHMEBPLAJ-UHFFFAOYSA-N	-1	1	408.528	-0.913	40	0		HBABMM
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000016321369	558786235	/nfs/dbraw/zinc/78/62/35/558786235.db2.gz	PDRNUEPQTZJJID-HNNXBMFYSA-N	-1	1	423.451	-0.151	40	0		HBABMM
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)[O-])cc1	ZINC000016321371	558786207	/nfs/dbraw/zinc/78/62/07/558786207.db2.gz	PDRNUEPQTZJJID-OAHLLOKOSA-N	-1	1	423.451	-0.151	40	0		HBABMM
Cn1cc(S(=O)(=O)[N-][C@@H](CCN2CCOCC2)c2ccccc2)c(=O)n(C)c1=O	ZINC000019715963	558977368	/nfs/dbraw/zinc/97/73/68/558977368.db2.gz	WEFARYQOGWRLLR-INIZCTEOSA-N	-1	1	422.507	-0.174	40	0		HBABMM
Cn1cc(S(=O)(=O)[N-][C@H](CCN2CCOCC2)c2ccccc2)c(=O)n(C)c1=O	ZINC000019715964	558977303	/nfs/dbraw/zinc/97/73/03/558977303.db2.gz	WEFARYQOGWRLLR-MRXNPFEDSA-N	-1	1	422.507	-0.174	40	0		HBABMM
CC(=O)OC[C@H]1O[C@@H](n2cnc3c2nc(=O)[n-]c3N)[C@H](OC(C)=O)[C@@H]1OC(C)=O	ZINC000044171185	519756769	/nfs/dbraw/zinc/75/67/69/519756769.db2.gz	QHMGQUDDESFBBM-SDBHATRESA-N	-1	1	409.355	-0.974	40	0	in-vitro	HBABMM
COc1cccc2c1=NC(=c1nc(C3CCC(C(=O)[O-])CC3)n3c1=C(N)N=CN3)C=2	ZINC000142410723	558262178	/nfs/dbraw/zinc/26/21/78/558262178.db2.gz	CDNMDRUIGNHEMR-VKAVYKQESA-N	-1	1	406.446	-0.918	40	0	in-vitro	HBABMM
COc1cccc2c1=NC(=c1nc(C3CCC(C(=O)[O-])CC3)n3c1=C(N)N=CN3)C=2	ZINC000199501105	569355471	/nfs/dbraw/zinc/35/54/71/569355471.db2.gz	CDNMDRUIGNHEMR-SAPNQHFASA-N	-1	1	406.446	-0.918	40	0		HBABMM
O=C(CNC(=O)c1cncc([O-])c1)N1CCC([C@@H]2NC(=O)N[C@H]3OCC[C@H]32)CC1	ZINC000257307067	568806742	/nfs/dbraw/zinc/80/67/42/568806742.db2.gz	SXBVEICSBKUGRS-ZVZYQTTQSA-N	-1	1	403.439	-0.200	40	0		HBABMM
COc1cccc2c1=NC(=c1nc([C@H]3CC[C@@H](C(=O)[O-])CC3)n3c1=C(N)N=CN3)C=2	ZINC000584566813	569048155	/nfs/dbraw/zinc/04/81/55/569048155.db2.gz	CDNMDRUIGNHEMR-AJWQNQEESA-N	-1	1	406.446	-0.918	40	0		HBABMM