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)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815138	452818118	/nfs/dbraw/zinc/81/81/18/452818118.db2.gz	CLJGDQRPOPPOBX-NBWSRYIDSA-N	2	0	332.488	3.374	40	30		EGEBRP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004815137	210284351	/nfs/dbraw/zinc/28/43/51/210284351.db2.gz	CLJGDQRPOPPOBX-HGIMSIGDSA-N	2	0	332.488	3.374	40	30		EGEBRP
C[NH+]=C(NCc1ccco1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000253370374	455835069	/nfs/dbraw/zinc/83/50/69/455835069.db2.gz	QAWYGQLLILAITG-WMLDXEAASA-N	2	0	346.500	3.089	40	30		EGEBRP
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000177172230	454831960	/nfs/dbraw/zinc/83/19/60/454831960.db2.gz	FOJDBEWLYUFYCK-RDJZCZTQSA-N	2	0	346.500	3.089	40	30		EGEBRP
C[NH+]=C(NCc1ccoc1)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1	ZINC000246134457	455433749	/nfs/dbraw/zinc/43/37/49/455433749.db2.gz	FOJDBEWLYUFYCK-DOTOQJQBSA-N	2	0	346.500	3.089	40	30		EGEBRP
Cc1c([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1-c1ccc(C#N)cc1	ZINC000097233919	454428486	/nfs/dbraw/zinc/42/84/86/454428486.db2.gz	QPKTYHTYTHHEMM-HNNXBMFYSA-N	2	0	337.471	3.045	40	30		EGEBRP
Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cnn1-c1ccc(C#N)cc1	ZINC000097233917	454428242	/nfs/dbraw/zinc/42/82/42/454428242.db2.gz	QPKTYHTYTHHEMM-OAHLLOKOSA-N	2	0	337.471	3.045	40	30		EGEBRP
CC(C)[NH+]1CCC([NH2+]C2CCC(Oc3ccc(C#N)cn3)CC2)CC1	ZINC000097238396	219003055	/nfs/dbraw/zinc/00/30/55/219003055.db2.gz	WGXLYYFOBWQAJQ-UHFFFAOYSA-N	2	0	342.487	3.106	40	30		EGEBRP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013774707	453488541	/nfs/dbraw/zinc/48/85/41/453488541.db2.gz	CLJGDQRPOPPOBX-QFKLZXOKSA-N	2	0	332.488	3.374	40	30		EGEBRP
CC(C)Oc1ccc(/C=[NH+]/CC[C@@]2(O)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013774711	453488089	/nfs/dbraw/zinc/48/80/89/453488089.db2.gz	CLJGDQRPOPPOBX-CXVIAELPSA-N	2	0	332.488	3.374	40	30		EGEBRP