smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[NH+](C)CC#CC[N@H+]1CCC[C@@]2(CCOC(C)(C)C2)C1	ZINC000003155524	289071853	/nfs/dbraw/zinc/07/18/53/289071853.db2.gz	FNHNVWBVDVWANA-KRWDZBQOSA-N	2	1	278.440	2.223	40	30		CEEBMP
[NH3+]CC[NH+]=C(Nc1ccccc1)Nc1ccccc1	ZINC000005741935	170135891	/nfs/dbraw/zinc/13/58/91/170135891.db2.gz	SIRSVYUHMGUHPK-UHFFFAOYSA-N	2	1	254.337	2.335	40	30		CEEBMP
C=CC[N@@H+]1CCO[C@@H]2CN(c3cccc(C)[nH+]3)CC[C@@H]2C1	ZINC000096082349	364400299	/nfs/dbraw/zinc/40/02/99/364400299.db2.gz	BTLDBKJQBXRYRV-HZPDHXFCSA-N	2	1	287.407	2.103	40	30		CEEBMP
C=CC[N@H+]1CCO[C@@H]2CN(c3cccc(C)[nH+]3)CC[C@@H]2C1	ZINC000096082349	364400307	/nfs/dbraw/zinc/40/03/07/364400307.db2.gz	BTLDBKJQBXRYRV-HZPDHXFCSA-N	2	1	287.407	2.103	40	30		CEEBMP
C[NH+](C)CC#CC[N@H+]1CCC[C@]2(CCOC(C)(C)C2)C1	ZINC000003155525	289072161	/nfs/dbraw/zinc/07/21/61/289072161.db2.gz	FNHNVWBVDVWANA-QGZVFWFLSA-N	2	1	278.440	2.223	40	30		CEEBMP
NC(=[NH2+])NC(=[NH2+])Nc1ccc2c(ccc(Cl)c2Cl)c1	ZINC000006525026	170209995	/nfs/dbraw/zinc/20/99/95/170209995.db2.gz	OKCLSMCTKZSRMH-UHFFFAOYSA-N	2	1	296.161	2.366	40	30		CEEBMP
CC1=CC(=O)C(C[NH+](C)C)(C[NH+](C)C)C(C)(C)C1	ZINC000001675353	394452406	/nfs/dbraw/zinc/45/24/06/394452406.db2.gz	AMZLAQWWOLDVDO-UHFFFAOYSA-N	2	1	252.402	2.041	40	30		CEEBMP
[NH2+]=C(NCc1ccccc1)C(=[NH2+])NCc1ccccc1	ZINC000001677668	230366992	/nfs/dbraw/zinc/36/69/92/230366992.db2.gz	HMPPFFVKPFBATJ-UHFFFAOYSA-N	2	1	266.348	2.311	40	30		CEEBMP
Cc1cccc(C)c1NC1=[NH+]C(=[NH2+])NC2(CCCC2)N1	ZINC000002482864	281202195	/nfs/dbraw/zinc/20/21/95/281202195.db2.gz	FSNAAVZDIKUEFL-UHFFFAOYSA-N	2	1	271.368	2.069	40	30		CEEBMP