smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[N@H+](CCc1ccccc1)Cc1nc2c3ccccc3oc2c(=O)[nH]1	ZINC000533256586	1098916749	/nfs/dbraw/zinc/91/67/49/1098916749.db2.gz	UYHMUWUGCUHYOH-UHFFFAOYSA-N	-1	2	359.429	4.312	20	30		FIEDLM
Cc1cccc2[nH]c([C@@H](C#N)C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)nc21	ZINC000444455350	1107911515	/nfs/dbraw/zinc/91/15/15/1107911515.db2.gz	SJJJHNBHHXMRFP-INIZCTEOSA-N	-1	2	369.428	4.368	20	30		FIEDLM
Cc1cccc2[nH]c([C@H](C#N)C(=O)c3cc(-c4ccc(C)c(C)c4)[nH]n3)nc21	ZINC000444455351	1107911725	/nfs/dbraw/zinc/91/17/25/1107911725.db2.gz	SJJJHNBHHXMRFP-MRXNPFEDSA-N	-1	2	369.428	4.368	20	30		FIEDLM
COC(C)(C)c1nc(C)c(C(=O)[C@@H](C#N)c2nc3c(cccc3C)[nH]2)s1	ZINC000581162895	1082353708	/nfs/dbraw/zinc/35/37/08/1082353708.db2.gz	JQJDDIFDHOHPDW-GFCCVEGCSA-N	-1	2	368.462	4.008	20	30		FIEDLM
C=CC[C@@H]1CCC[N@H+](Cc2nc(=O)c3c(-c4ccco4)csc3[nH]2)C1	ZINC000661379685	1085542544	/nfs/dbraw/zinc/54/25/44/1085542544.db2.gz	GMOSNLQOAJPOOW-CYBMUJFWSA-N	-1	2	355.463	4.445	20	30		FIEDLM
COC(C)(C)c1nc(C)c(C(=O)[C@H](C#N)c2nc3c(cccc3C)[nH]2)s1	ZINC000581162996	1082353815	/nfs/dbraw/zinc/35/38/15/1082353815.db2.gz	JQJDDIFDHOHPDW-LBPRGKRZSA-N	-1	2	368.462	4.008	20	30		FIEDLM
N#C[C@H](C(=O)c1cc(-c2ccc(F)cc2)n[nH]1)c1ccc2ccccc2n1	ZINC000048856685	1103225205	/nfs/dbraw/zinc/22/52/05/1103225205.db2.gz	GDUOLOPMLXKMAR-INIZCTEOSA-N	-1	2	356.360	4.254	20	30		FIEDLM