smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c(-c2ccccc2)cnn1C1CCN(Cc2cccc(C#N)c2)CC1	ZINC000000838761	210279179	/nfs/dbraw/zinc/27/91/79/210279179.db2.gz	FBJIUWHTOIOHGN-UHFFFAOYSA-N	0	3	356.473	4.567	10	30		FJEEHN
C=CCNC(=O)[C@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1	ZINC000034739919	210170761	/nfs/dbraw/zinc/17/07/61/210170761.db2.gz	RCIVQIMQNVDILX-PZJWPPBQSA-N	0	3	368.908	4.596	10	30		FJEEHN
C=CCNC(=O)[C@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1	ZINC000034739921	210169542	/nfs/dbraw/zinc/16/95/42/210169542.db2.gz	RCIVQIMQNVDILX-FPOVZHCZSA-N	0	3	368.908	4.596	10	30		FJEEHN
N#CC1CCN(C2CCN(c3cccc(-c4ccc(F)cc4)c3)CC2)CC1	ZINC000063834488	136132975	/nfs/dbraw/zinc/13/29/75/136132975.db2.gz	XQKFZODCEQBZOP-UHFFFAOYSA-N	0	3	363.480	4.697	10	30		FJEEHN
N#CC1CCN(C2CCN(c3ccc(-c4cccc(F)c4)cc3)CC2)CC1	ZINC000063847192	136133086	/nfs/dbraw/zinc/13/30/86/136133086.db2.gz	BDSNQNHNCHISKC-UHFFFAOYSA-N	0	3	363.480	4.697	10	30		FJEEHN
C=CCNC(=O)[C@@H]1CC[C@@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1	ZINC000034739920	570550501	/nfs/dbraw/zinc/55/05/01/570550501.db2.gz	RCIVQIMQNVDILX-CTNGQTDRSA-N	0	3	368.908	4.596	10	30		FJEEHN
C=CCNC(=O)[C@@H]1CC[C@H](c2ccccc2)N(Cc2cccc(Cl)c2)C1	ZINC000034739918	570550709	/nfs/dbraw/zinc/55/07/09/570550709.db2.gz	RCIVQIMQNVDILX-TZIWHRDSSA-N	0	3	368.908	4.596	10	30		FJEEHN
C=C[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1cccs1)Cc1cccs1	ZINC000020462749	120046844	/nfs/dbraw/zinc/04/68/44/120046844.db2.gz	GBYPPGKXLXIXJL-OKZBNKHCSA-N	0	3	358.576	4.708	10	30		FJEEHN
N#CC1CCN(C2CCN(c3cccc(-c4cccc(F)c4)c3)CC2)CC1	ZINC000023398301	136152942	/nfs/dbraw/zinc/15/29/42/136152942.db2.gz	HKJFEIXMRWBJRW-UHFFFAOYSA-N	0	3	363.480	4.697	10	30		FJEEHN