smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H](c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+]1CCCC1	ZINC000096138481	563534094	/nfs/dbraw/zinc/53/40/94/563534094.db2.gz	QKUHQUCSSHHIRP-HNNXBMFYSA-N	2	0	317.436	4.641	50	0		DJAARP
C[NH+](C)CCCCCCCC[N@H+](C)Cc1cc2ccccc2o1	ZINC000002326078	563926208	/nfs/dbraw/zinc/92/62/08/563926208.db2.gz	XRPWIASLAHETCM-UHFFFAOYSA-N	2	0	316.489	4.767	50	0		DJAARP
CC1=CC[C@H](C[N@H+](CCC[NH+](C)C)C[C@@H]2CC=C(C)CC2)CC1	ZINC000004023175	181063637	/nfs/dbraw/zinc/06/36/37/181063637.db2.gz	FPDWDQUBDAOXGY-OYRHEFFESA-N	2	0	318.549	4.733	50	0	biogenic	DJAARP
C[C@H](c1ccc(-c2cccc3c(N)cc[nH+]c32)cc1)[NH+]1CCCC1	ZINC000096138482	563534258	/nfs/dbraw/zinc/53/42/58/563534258.db2.gz	QKUHQUCSSHHIRP-OAHLLOKOSA-N	2	0	317.436	4.641	50	0		DJAARP
c1c[n+](C2CCCCC2)ccc1-c1cc[n+](C2CCCCC2)cc1	ZINC000030836051	563438998	/nfs/dbraw/zinc/43/89/98/563438998.db2.gz	LEGYCEYRUDTBMC-UHFFFAOYSA-N	2	0	322.496	4.939	50	0		DJAARP
CC1=CC[C@H](C[NH+](CCC[NH+](C)C)C[C@H]2CC=C(C)CC2)CC1	ZINC000004023174	181063670	/nfs/dbraw/zinc/06/36/70/181063670.db2.gz	FPDWDQUBDAOXGY-SFTDATJTSA-N	2	0	318.549	4.733	50	0	biogenic	DJAARP
CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1	ZINC000004553808	181123544	/nfs/dbraw/zinc/12/35/44/181123544.db2.gz	NXXMIBBWTUIWRO-GHTZIAJQSA-N	2	0	314.517	4.552	50	0		DJAARP
CC(C)CC[C@@H](CC[NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1	ZINC000006662015	181367236	/nfs/dbraw/zinc/36/72/36/181367236.db2.gz	LCOKOKUOQFDGNF-SFHVURJKSA-N	2	0	324.940	4.791	50	0		DJAARP
CC[NH+](CC)CCCCC[N@H+](CC)Cc1cc2ccccc2o1	ZINC000001816618	563796203	/nfs/dbraw/zinc/79/62/03/563796203.db2.gz	NBQNMPMKSDPSRU-UHFFFAOYSA-N	2	0	316.489	4.767	50	0		DJAARP
CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1	ZINC000019868458	182158470	/nfs/dbraw/zinc/15/84/70/182158470.db2.gz	NXXMIBBWTUIWRO-NQIIRXRSSA-N	2	0	314.517	4.552	50	0		DJAARP
CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1	ZINC000014010817	563393866	/nfs/dbraw/zinc/39/38/66/563393866.db2.gz	NXXMIBBWTUIWRO-WIYYLYMNSA-N	2	0	314.517	4.552	50	0		DJAARP
CC[NH+](CC)CCNc1cc(-c2ccccc2)[nH+]c2ccccc12	ZINC000000407607	563915468	/nfs/dbraw/zinc/91/54/68/563915468.db2.gz	DNEATVAXIAIYIU-UHFFFAOYSA-N	2	0	319.452	4.656	50	0		DJAARP
CC(C)CC[C@H](CC[NH2+]CCC[NH+](C)C)c1ccc(Cl)cc1	ZINC000006662016	181367468	/nfs/dbraw/zinc/36/74/68/181367468.db2.gz	LCOKOKUOQFDGNF-GOSISDBHSA-N	2	0	324.940	4.791	50	0		DJAARP
CC1=CC[C@@H](C[NH+](CCC[NH+](C)C)C[C@@H]2CC=C(C)CC2)CC1	ZINC000004023177	181063359	/nfs/dbraw/zinc/06/33/59/181063359.db2.gz	FPDWDQUBDAOXGY-NHCUHLMSSA-N	2	0	318.549	4.733	50	0	biogenic	DJAARP
CC[N@H+](Cc1ccccc1)C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1	ZINC000004553809	181124006	/nfs/dbraw/zinc/12/40/06/181124006.db2.gz	NXXMIBBWTUIWRO-RXVVDRJESA-N	2	0	314.517	4.552	50	0		DJAARP