smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(CCCCCCNC(N)=[NH2+])C(=O)CC(=O)NCCCCNCCC[NH3+]	ZINC000026731939	207317444	/nfs/dbraw/zinc/31/74/44/207317444.db2.gz	UMXMYSFCBZGTSH-UHFFFAOYSA-N	2	3	385.557	-0.497	1	30		GBEFHP
CN(CCCCCCNC(N)=[NH2+])C(=O)CC(=O)NCCCC[NH2+]CCCN	ZINC000026731939	207317441	/nfs/dbraw/zinc/31/74/41/207317441.db2.gz	UMXMYSFCBZGTSH-UHFFFAOYSA-N	2	3	385.557	-0.497	1	30		GBEFHP
NC(=[NH2+])NCCCCCCNC(=O)CCC(=O)NCCCCNCCC[NH3+]	ZINC000026735500	207317995	/nfs/dbraw/zinc/31/79/95/207317995.db2.gz	IFZDNJBEHCRJJH-UHFFFAOYSA-N	2	3	385.557	-0.449	1	30		GBEFHP
NCCC[NH2+]CCCCNC(=O)CCC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000026735500	207317993	/nfs/dbraw/zinc/31/79/93/207317993.db2.gz	IFZDNJBEHCRJJH-UHFFFAOYSA-N	2	3	385.557	-0.449	1	30		GBEFHP
NC(=[NH2+])NCCCCCCNC(=O)C=CC(=O)NCCCCNCCC[NH3+]	ZINC000026737243	207317212	/nfs/dbraw/zinc/31/72/12/207317212.db2.gz	NUDRHMJSYKVVOK-CMDGGOBGSA-N	2	3	383.541	-0.673	1	30		GBEFHP
NCCC[NH2+]CCCCNC(=O)C=CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000026737243	207317210	/nfs/dbraw/zinc/31/72/10/207317210.db2.gz	NUDRHMJSYKVVOK-CMDGGOBGSA-N	2	3	383.541	-0.673	1	30		GBEFHP
NC(=[NH2+])NCCCCCCNC(=O)[C@@H](F)C(=O)NCCCCNCCC[NH3+]	ZINC000026743005	207318123	/nfs/dbraw/zinc/31/81/23/207318123.db2.gz	ZWNUSKPHVGEFLK-CQSZACIVSA-N	2	3	389.520	-0.891	1	30		GBEFHP
NCCC[NH2+]CCCCNC(=O)[C@H](F)C(=O)NCCCCCCNC(N)=[NH2+]	ZINC000026743005	207318120	/nfs/dbraw/zinc/31/81/20/207318120.db2.gz	ZWNUSKPHVGEFLK-CQSZACIVSA-N	2	3	389.520	-0.891	1	30		GBEFHP
C[C@@H](CN)C[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526224	207325889	/nfs/dbraw/zinc/32/58/89/207325889.db2.gz	IXWREPNRURCAIQ-HNNXBMFYSA-N	2	3	385.557	-0.593	1	30		GBEFHP
C[C@H](CN)C[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526226	207325386	/nfs/dbraw/zinc/32/53/86/207325386.db2.gz	IXWREPNRURCAIQ-OAHLLOKOSA-N	2	3	385.557	-0.593	1	30		GBEFHP
C[C@@H]([NH3+])CCNCCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526602	207325906	/nfs/dbraw/zinc/32/59/06/207325906.db2.gz	UZONLDZZXCINRA-OAHLLOKOSA-N	2	3	385.557	-0.450	1	30		GBEFHP
C[C@@H](N)CC[NH2+]CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526602	207325902	/nfs/dbraw/zinc/32/59/02/207325902.db2.gz	UZONLDZZXCINRA-OAHLLOKOSA-N	2	3	385.557	-0.450	1	30		GBEFHP
C[N@@H+](CCCN)CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526917	207326270	/nfs/dbraw/zinc/32/62/70/207326270.db2.gz	QWLMSNKJRBATRA-UHFFFAOYSA-N	2	3	385.557	-0.497	1	30		GBEFHP
C[N@H+](CCCN)CCCCNC(=O)CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000027526917	207326265	/nfs/dbraw/zinc/32/62/65/207326265.db2.gz	QWLMSNKJRBATRA-UHFFFAOYSA-N	2	3	385.557	-0.497	1	30		GBEFHP
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H](N)CCCC[NH3+])C(=O)OCc1ccccc1	ZINC000029347314	207359791	/nfs/dbraw/zinc/35/97/91/207359791.db2.gz	YASMBAXQXVPOLM-HOTGVXAUSA-N	2	3	392.504	-0.276	1	30		GBEFHP
NC(=[NH2+])NCCCCCCNC(=O)C=CC(=O)NCCCCNCCC[NH3+]	ZINC000100856228	211392770	/nfs/dbraw/zinc/39/27/70/211392770.db2.gz	NUDRHMJSYKVVOK-HJWRWDBZSA-N	2	3	383.541	-0.673	1	30		GBEFHP
NCCC[NH2+]CCCCNC(=O)C=CC(=O)NCCCCCCNC(N)=[NH2+]	ZINC000100856228	211392768	/nfs/dbraw/zinc/39/27/68/211392768.db2.gz	NUDRHMJSYKVVOK-HJWRWDBZSA-N	2	3	383.541	-0.673	1	30		GBEFHP