smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH+]ccc1CC[NH2+]C1CCC(C#N)CC1	ZINC000585141608	344173315	/nfs/dbraw/zinc/17/33/15/344173315.db2.gz	XYFIFWYTAWQMKV-UHFFFAOYSA-N	2	2	243.354	2.605	50	30		BFEALP
C(=[NH+]\CCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000003159712	344520932	/nfs/dbraw/zinc/52/09/32/344520932.db2.gz	HQCVPLFPWAIRQF-NFLUSIDLSA-N	2	2	242.326	2.661	50	30		BFEALP
CN(C)c1ccc(/C=[NH+]/Cc2cc[nH+]cc2)cc1	ZINC000019808693	387249819	/nfs/dbraw/zinc/24/98/19/387249819.db2.gz	HQTOVXNLEFHZOL-GZTJUZNOSA-N	2	2	239.322	2.767	50	30		BFEALP
CC#CC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000189892511	526382576	/nfs/dbraw/zinc/38/25/76/526382576.db2.gz	LQBRQNITEZRPMB-ZDUSSCGKSA-N	2	2	239.322	2.546	50	30		BFEALP
[NH2+]=C1NC(=[NH+]c2ccc(F)cc2)c2ccccc21	ZINC000005731777	181337602	/nfs/dbraw/zinc/33/76/02/181337602.db2.gz	ZMTAZNALQHNNRR-UHFFFAOYSA-N	2	2	239.253	2.623	50	30		BFEALP
C(=[NH+]/CCCC/[NH+]=C/c1ccc[nH]1)\c1ccc[nH]1	ZINC000100336827	166229566	/nfs/dbraw/zinc/22/95/66/166229566.db2.gz	HQCVPLFPWAIRQF-JOBJLJCHSA-N	2	2	242.326	2.661	50	30		BFEALP
CC#CC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000189892523	188081086	/nfs/dbraw/zinc/08/10/86/188081086.db2.gz	LQBRQNITEZRPMB-CYBMUJFWSA-N	2	2	239.322	2.546	50	30		BFEALP
Cc1ccc([NH+]=C2NC(=[NH2+])c3ccccc32)cc1	ZINC000018158757	178359601	/nfs/dbraw/zinc/35/96/01/178359601.db2.gz	CYUAYNFKQWLQDD-UHFFFAOYSA-N	2	2	235.290	2.792	50	30		BFEALP
C=CCC1([NH2+]Cc2ccco2)CC[NH+](CC)CC1	ZINC000005091211	385285837	/nfs/dbraw/zinc/28/58/37/385285837.db2.gz	ZULZYLDSUVAWLR-UHFFFAOYSA-N	2	2	248.370	2.800	50	30		BFEALP
C(=[NH+]/CCCC/[NH+]=C\c1ccc[nH]1)\c1ccc[nH]1	ZINC000102297572	518376400	/nfs/dbraw/zinc/37/64/00/518376400.db2.gz	HQCVPLFPWAIRQF-UKVBVZPVSA-N	2	2	242.326	2.661	50	30		BFEALP