smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCCCCCCCCCC1=NCCc2c3ccccc3[nH]c21	ZINC000001827567	563796109	/nfs/dbraw/zinc/79/61/09/563796109.db2.gz	HMNFXHKSTGFRPI-UHFFFAOYSA-N	0	3	324.512	6.434	50	30	biogenic	DKEAHN
CCN(CC)CC#CC[C@@H](c1ccccc1)c1cc(C)ccc1C	ZINC000002268115	563842476	/nfs/dbraw/zinc/84/24/76/563842476.db2.gz	FLNOSWQFGGBMTM-QFIPXVFZSA-N	0	3	319.492	5.171	50	30		DKEAHN
CCN(CC)CC#CC[C@H](c1ccccc1)c1cc(C)ccc1C	ZINC000002268116	563842472	/nfs/dbraw/zinc/84/24/72/563842472.db2.gz	FLNOSWQFGGBMTM-JOCHJYFZSA-N	0	3	319.492	5.171	50	30		DKEAHN
CC(C)(C)c1cc(/C=N/Cc2ccccc2)cc(C(C)(C)C)c1O	ZINC000002273467	563921093	/nfs/dbraw/zinc/92/10/93/563921093.db2.gz	YJGNHHONRCRXHN-HZHRSRAPSA-N	0	3	323.480	5.606	50	30		DKEAHN
C=CCOc1ccccc1CN(CCCC)Cc1ccccc1	ZINC000002893916	568416476	/nfs/dbraw/zinc/41/64/76/568416476.db2.gz	CMFWFWMWZVCPAC-UHFFFAOYSA-N	0	3	309.453	5.054	50	30		DKEAHN
CCCCCCCCSc1ccc(C(=O)CCN(C)C)cc1	ZINC000002921275	563317634	/nfs/dbraw/zinc/31/76/34/563317634.db2.gz	QDCJUPAWAVWHNG-UHFFFAOYSA-N	0	3	321.530	5.274	50	30		DKEAHN
Cc1ccc(NC(=Nc2ccccc2)Nc2ccccc2)cc1	ZINC000003065437	563905777	/nfs/dbraw/zinc/90/57/77/563905777.db2.gz	ROIUZIKWOMDTPL-UHFFFAOYSA-N	0	3	301.393	5.207	50	30		DKEAHN
CCCCc1ccc(/N=C/Nc2ccc(CCCC)cc2)cc1	ZINC000003086218	521269106	/nfs/dbraw/zinc/26/91/06/521269106.db2.gz	IHTRDRNZJJAWTB-UHFFFAOYSA-N	0	3	308.469	6.144	50	30		DKEAHN
CC12CC3(C)CC(C)(C1)CC(C/N=C/c1ccc(O)cc1)(C2)C3	ZINC000003897587	181054056	/nfs/dbraw/zinc/05/40/56/181054056.db2.gz	VJBZUJMOPICFBP-GZIVZEMBSA-N	0	3	311.469	5.198	50	30		DKEAHN
C=CCC(NCc1ccccc1)(c1ccccc1)c1ccccc1	ZINC000004109036	181074475	/nfs/dbraw/zinc/07/44/75/181074475.db2.gz	UEZYUYPUTORRSN-UHFFFAOYSA-N	0	3	313.444	5.296	50	30		DKEAHN
O=C1C([O-])=CC=CC1=C[NH+]=C1C=CC(=NNc2ccccc2)C=C1	ZINC000005369964	181235017	/nfs/dbraw/zinc/23/50/17/181235017.db2.gz	QULQHUWRDHHTNU-LCHYZJQESA-N	0	3	317.348	5.264	50	30		DKEAHN
CN(C)/C=N/c1ccc(/N=N/c2ccccc2)c2c1CCCC2	ZINC000102193125	563866599	/nfs/dbraw/zinc/86/65/99/563866599.db2.gz	XRKQZBOLSRMQLT-CZPSDBATSA-N	0	3	306.413	5.202	50	30		DKEAHN
CCCCCCCCN1CCN(CCCCCCCC)CC1	ZINC000104182100	336383826	/nfs/dbraw/zinc/38/38/26/336383826.db2.gz	JDEPNKUINYBORA-UHFFFAOYSA-N	0	3	310.570	5.325	50	30		DKEAHN