smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
NC(=O)CNC(=O)[C@H](Cc1cn(-c2ncccc2C[NH+]2CCCC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC001163437982	1067330942	/nfs/dbraw/zinc/33/09/42/1067330942.db2.gz	AQANUSYFUQMEDQ-PMACEKPBSA-N	2	3	499.620	-1.052	20	0		JAADHP
C[NH+](C)Cc1ccnc(-n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)c1	ZINC001163439247	1067335760	/nfs/dbraw/zinc/33/57/60/1067335760.db2.gz	QURUDFLRNPHQBL-ROUUACIJSA-N	2	3	473.582	-1.586	20	0		JAADHP
NC(=O)CNC(=O)[C@H](Cc1cn(-c2ccc(C[NH+]3CCCC3)cn2)cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC001163439303	1067335524	/nfs/dbraw/zinc/33/55/24/1067335524.db2.gz	RKZWLTLTCUAWHO-PMACEKPBSA-N	2	3	499.620	-1.052	20	0		JAADHP
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2	ZINC001169122580	1067106499	/nfs/dbraw/zinc/10/64/99/1067106499.db2.gz	ASIQYUHQMFGYCM-JKEDJMADSA-N	2	3	462.599	-1.234	20	0		JAADHP
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2	ZINC001169122580	1067106494	/nfs/dbraw/zinc/10/64/94/1067106494.db2.gz	ASIQYUHQMFGYCM-JKEDJMADSA-N	2	3	462.599	-1.234	20	0		JAADHP
C[N@@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2	ZINC001169122581	1067106384	/nfs/dbraw/zinc/10/63/84/1067106384.db2.gz	ASIQYUHQMFGYCM-PJVZLEMVSA-N	2	3	462.599	-1.234	20	0		JAADHP
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](n1cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c1)C2	ZINC001169122581	1067106377	/nfs/dbraw/zinc/10/63/77/1067106377.db2.gz	ASIQYUHQMFGYCM-PJVZLEMVSA-N	2	3	462.599	-1.234	20	0		JAADHP
CC[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001169244701	1067107192	/nfs/dbraw/zinc/10/71/92/1067107192.db2.gz	RTAWUNGBITZUKJ-ROUUACIJSA-N	2	3	450.588	-1.375	20	0		JAADHP
COCCC[NH+]1CCC(n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001172249604	1067146374	/nfs/dbraw/zinc/14/63/74/1067146374.db2.gz	LDIVWYDIQZXTLF-PMACEKPBSA-N	2	3	494.641	-1.358	20	0		JAADHP
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](O)OC(C)(C)C)C1	ZINC001220506174	1067354421	/nfs/dbraw/zinc/35/44/21/1067354421.db2.gz	LGXZUCCGUVUQQM-FTAMUGHTSA-N	2	3	467.633	-1.498	20	0		JAADHP
CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1	ZINC001220506179	1067354346	/nfs/dbraw/zinc/35/43/46/1067354346.db2.gz	LGXZUCCGUVUQQM-OIDVLUPKSA-N	2	3	467.633	-1.498	20	0		JAADHP
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@H](O)OC(C)(C)C)C1	ZINC001220506181	1067354482	/nfs/dbraw/zinc/35/44/82/1067354482.db2.gz	LGXZUCCGUVUQQM-OLEVXBPZSA-N	2	3	467.633	-1.498	20	0		JAADHP
CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)CN(CC[NH3+])S(C)(=O)=O)[C@@H](O)OC(C)(C)C)C1	ZINC001220506183	1067354463	/nfs/dbraw/zinc/35/44/63/1067354463.db2.gz	LGXZUCCGUVUQQM-YDRHNJASSA-N	2	3	467.633	-1.498	20	0		JAADHP
C[N@H+]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001254515073	1067380491	/nfs/dbraw/zinc/38/04/91/1067380491.db2.gz	RWUJOMWDXGGHAF-BZSNNMDCSA-N	2	3	450.588	-1.375	20	0		JAADHP
C[N@@H+]1CCC[C@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001254515073	1067380483	/nfs/dbraw/zinc/38/04/83/1067380483.db2.gz	RWUJOMWDXGGHAF-BZSNNMDCSA-N	2	3	450.588	-1.375	20	0		JAADHP
C[N@H+]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001254515074	1067380550	/nfs/dbraw/zinc/38/05/50/1067380550.db2.gz	RWUJOMWDXGGHAF-SQNIBIBYSA-N	2	3	450.588	-1.375	20	0		JAADHP
C[N@@H+]1CCC[C@@H](n2cnc(C[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)NCC(N)=O)c2)CC1	ZINC001254515074	1067380540	/nfs/dbraw/zinc/38/05/40/1067380540.db2.gz	RWUJOMWDXGGHAF-SQNIBIBYSA-N	2	3	450.588	-1.375	20	0		JAADHP
NC(=O)CNC(=O)[C@H](Cc1cn([C@H]2CC3CC[NH+](CC3)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC001254852610	1067381045	/nfs/dbraw/zinc/38/10/45/1067381045.db2.gz	HUKAPNWREWMTOE-FHWLQOOXSA-N	2	3	462.599	-1.375	20	0		JAADHP
NC(=O)CNC(=O)[C@H](Cc1cn([C@@H]2CC3CC[NH+](CC3)C2)cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC001254852618	1067380939	/nfs/dbraw/zinc/38/09/39/1067380939.db2.gz	HUKAPNWREWMTOE-QYZOEREBSA-N	2	3	462.599	-1.375	20	0		JAADHP
NC(=O)CNC(=O)[C@H](Cc1cn(C2CC[NH+](C3CC3)CC2)cn1)NC(=O)[C@@H](N)CCCC[NH3+]	ZINC001256072283	1067381841	/nfs/dbraw/zinc/38/18/41/1067381841.db2.gz	ACRWJKFCXOSIPL-OALUTQOASA-N	2	3	462.599	-1.233	20	0		JAADHP