smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(C)[C@H]([NH3+])C(=O)ON1C(N)=CCN([C@@H]2C[C@@H](O)[C@@H](CO)O2)C1=O	ZINC000003604287	686419768	/nfs/dbraw/zinc/41/97/68/686419768.db2.gz	KYBPUHBAJKAACF-LSKIRQOJSA-N	1	1	344.368	-1.566	10	30		EAEEMO
CC(C)[C@H]([NH3+])C(=O)ON1C(N)=CCN([C@@H]2C[C@H](O)[C@@H](CO)O2)C1=O	ZINC000003604289	686419779	/nfs/dbraw/zinc/41/97/79/686419779.db2.gz	KYBPUHBAJKAACF-QCMRWSPLSA-N	1	1	344.368	-1.566	10	30		EAEEMO
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC000034598462	685588682	/nfs/dbraw/zinc/58/86/82/685588682.db2.gz	ZHHVGVJRMITVNH-IUCAKERBSA-N	1	1	327.389	-3.040	10	30		EAEEMO
C#CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1	ZINC000037825714	686424405	/nfs/dbraw/zinc/42/44/05/686424405.db2.gz	VAMBDTBWWXGQMI-MNOVXSKESA-N	1	1	336.435	-1.603	10	30		EAEEMO
C#CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@@H]1CCS(=O)(=O)C1	ZINC000037825715	686424443	/nfs/dbraw/zinc/42/44/43/686424443.db2.gz	VAMBDTBWWXGQMI-GHMZBOCLSA-N	1	1	336.435	-1.603	10	30		EAEEMO
C#CCN(C(=O)[C@@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1	ZINC000037825716	686424327	/nfs/dbraw/zinc/42/43/27/686424327.db2.gz	VAMBDTBWWXGQMI-QWRGUYRKSA-N	1	1	336.435	-1.603	10	30		EAEEMO
C#CCN(C(=O)[C@H]([NH3+])CCS(C)(=O)=O)[C@H]1CCS(=O)(=O)C1	ZINC000037825717	686424475	/nfs/dbraw/zinc/42/44/75/686424475.db2.gz	VAMBDTBWWXGQMI-WDEREUQCSA-N	1	1	336.435	-1.603	10	30		EAEEMO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O	ZINC000039407765	685053484	/nfs/dbraw/zinc/05/34/84/685053484.db2.gz	ZHHVGVJRMITVNH-RKDXNWHRSA-N	1	1	327.389	-3.040	10	30		EAEEMO
NC(=[NH2+])NCCC[C@@H](N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O	ZINC000039407766	685053278	/nfs/dbraw/zinc/05/32/78/685053278.db2.gz	ZHHVGVJRMITVNH-BDAKNGLRSA-N	1	1	327.389	-3.040	10	30		EAEEMO
NC(=[NH2+])NCCC[C@H](N)C(=O)N1CCC[C@@H]1C(=O)NCC(N)=O	ZINC000039407767	685164248	/nfs/dbraw/zinc/16/42/48/685164248.db2.gz	ZHHVGVJRMITVNH-DTWKUNHWSA-N	1	1	327.389	-3.040	10	30		EAEEMO
C#CCN1CC[NH+](CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1	ZINC000121693710	685070165	/nfs/dbraw/zinc/07/01/65/685070165.db2.gz	LPDJEGMVHHTXFU-UHFFFAOYSA-N	1	1	330.392	-1.316	10	30		EAEEMO
[NH3+]CC(=O)NCC(=O)N[C@H](Cc1cnc[nH]1)C(=O)NCCS	ZINC000215035772	685149370	/nfs/dbraw/zinc/14/93/70/685149370.db2.gz	KBHBTSFEIDRPHL-SECBINFHSA-N	1	1	328.398	-2.442	10	30		EAEEMO
CC(C)[C@H]([NH3+])C(=O)ON1C(N)=CCN([C@@H]2C[C@H](O)[C@H](CO)O2)C1=O	ZINC000215555175	685120560	/nfs/dbraw/zinc/12/05/60/685120560.db2.gz	KYBPUHBAJKAACF-QSFUFRPTSA-N	1	1	344.368	-1.566	10	30		EAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@@H](N2CCOCC2)C1	ZINC000261628252	685055426	/nfs/dbraw/zinc/05/54/26/685055426.db2.gz	COPLYNQGANVWEA-HZPDHXFCSA-N	1	1	336.484	-1.032	10	30		EAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)N1CC[C@H](N2CCOCC2)C1	ZINC000261628255	685055366	/nfs/dbraw/zinc/05/53/66/685055366.db2.gz	COPLYNQGANVWEA-JKSUJKDBSA-N	1	1	336.484	-1.032	10	30		EAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@@](C)(O)c1cnn(C)c1	ZINC000262067553	685071879	/nfs/dbraw/zinc/07/18/79/685071879.db2.gz	WMQSRELOFLWCDL-GDBMZVCRSA-N	1	1	335.456	-1.208	10	30		EAEEMO
C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC[C@](C)(O)c1cnn(C)c1	ZINC000262067556	685072390	/nfs/dbraw/zinc/07/23/90/685072390.db2.gz	WMQSRELOFLWCDL-ZBFHGGJFSA-N	1	1	335.456	-1.208	10	30		EAEEMO
NC(=O)[C@H](Cc1cnc[nH]1)N(CCS)C(=O)CNC(=O)C[NH3+]	ZINC000585669340	685155835	/nfs/dbraw/zinc/15/58/35/685155835.db2.gz	QKHZTLIMHMGTTE-VIFPVBQESA-N	1	1	328.398	-2.361	10	30		EAEEMO