smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[NH+](C)C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000012601822	518742125	/nfs/dbraw/zinc/74/21/25/518742125.db2.gz	RPKAWTYZQZHKCV-JENIJYKNSA-N	2	2	388.581	3.358	40	30	biogenic,in-vitro	GGEBLP
C=CC[NH+](C)C[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000012601822	518742132	/nfs/dbraw/zinc/74/21/32/518742132.db2.gz	RPKAWTYZQZHKCV-JENIJYKNSA-N	2	2	388.581	3.358	40	30	biogenic,in-vitro	GGEBLP
C=CC[N@@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000012601822	518742134	/nfs/dbraw/zinc/74/21/34/518742134.db2.gz	RPKAWTYZQZHKCV-JENIJYKNSA-N	2	2	388.581	3.358	40	30	biogenic,in-vitro	GGEBLP
C=CC[N@H+](C)C[C@H]1C[NH+]2CC[C@H]1C[C@@H]2CNC(=O)Nc1cccc(SC)c1	ZINC000012601822	518742139	/nfs/dbraw/zinc/74/21/39/518742139.db2.gz	RPKAWTYZQZHKCV-JENIJYKNSA-N	2	2	388.581	3.358	40	30	biogenic,in-vitro	GGEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1	ZINC000019527228	519268045	/nfs/dbraw/zinc/26/80/45/519268045.db2.gz	RGWJDQDNWMDRMW-IBGZPJMESA-N	2	2	395.551	3.039	40	30		GGEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1	ZINC000019527228	519268051	/nfs/dbraw/zinc/26/80/51/519268051.db2.gz	RGWJDQDNWMDRMW-IBGZPJMESA-N	2	2	395.551	3.039	40	30		GGEBLP
C=CCn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)N1CC[NH+](C)CC1)C2	ZINC000049171866	519282620	/nfs/dbraw/zinc/28/26/20/519282620.db2.gz	ANMMIERXEPKFIR-SFTDATJTSA-N	2	2	394.563	3.203	40	30	biogenic,in-vitro	GGEBLP
C=CC[NH+]1CCN(C(=O)[C@@H]2Cc3c[nH]c4cccc(c34)[C@H](CC(C)C)[NH2+]2)CC1	ZINC000049172021	518864255	/nfs/dbraw/zinc/86/42/55/518864255.db2.gz	QJPNGVVPSYDWRR-SFTDATJTSA-N	2	2	380.536	3.100	40	30	biogenic,in-vitro	GGEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC)CC1	ZINC000019527227	519267088	/nfs/dbraw/zinc/26/70/88/519267088.db2.gz	RGWJDQDNWMDRMW-LJQANCHMSA-N	2	2	395.551	3.039	40	30		GGEBLP
C=CCn1c2ccccc2[nH+]c1N1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC)CC1	ZINC000019527227	519267095	/nfs/dbraw/zinc/26/70/95/519267095.db2.gz	RGWJDQDNWMDRMW-LJQANCHMSA-N	2	2	395.551	3.039	40	30		GGEBLP