smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1ccc(CN2CCOCC23CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC3)n1	ZINC001164935623	721909372	/nfs/dbraw/zinc/90/93/72/721909372.db2.gz	LYOZXDBAZLMSON-LJQANCHMSA-N	0	3	467.574	2.030	20	30		JEEDHN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896100	721443743	/nfs/dbraw/zinc/44/37/43/721443743.db2.gz	QLTRAFDJCXJTKE-RLSLOFABSA-N	0	3	470.618	2.191	20	30		JEEDHN
CSc1nc(Cl)c(C=NO)c(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1	ZINC001164884971	721396208	/nfs/dbraw/zinc/39/62/08/721396208.db2.gz	BGNWSBWUAZUQPV-QRWLVFNGSA-N	0	3	455.028	2.425	20	30		JEEDHN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165004911	722269921	/nfs/dbraw/zinc/26/99/21/722269921.db2.gz	DUYJXSODTRAIIO-KBMIEXCESA-N	0	3	480.544	2.492	20	30		JEEDHN
CSc1nc(Cl)c(C=N[O-])c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)n1	ZINC001164812149	720216328	/nfs/dbraw/zinc/21/63/28/720216328.db2.gz	FITXKELYNHMHTC-UHFFFAOYSA-N	0	3	451.984	2.467	20	30		JEEDHN
CSc1nc(Cl)c(C=N[O-])c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)n1	ZINC001164812149	720216337	/nfs/dbraw/zinc/21/63/37/720216337.db2.gz	FITXKELYNHMHTC-UHFFFAOYSA-N	0	3	451.984	2.467	20	30		JEEDHN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896102	721443378	/nfs/dbraw/zinc/44/33/78/721443378.db2.gz	QLTRAFDJCXJTKE-WZOHSFFVSA-N	0	3	470.618	2.191	20	30		JEEDHN
Cn1ccc(CN2CCOCC23CCN(c2nccnc2C(C#N)C(=O)OC(C)(C)C)CC3)n1	ZINC001164935620	721909317	/nfs/dbraw/zinc/90/93/17/721909317.db2.gz	LYOZXDBAZLMSON-IBGZPJMESA-N	0	3	467.574	2.030	20	30		JEEDHN
CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccnc4[C@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896104	721443603	/nfs/dbraw/zinc/44/36/03/721443603.db2.gz	QLTRAFDJCXJTKE-ZYLNGJIFSA-N	0	3	470.618	2.191	20	30		JEEDHN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879036	721168759	/nfs/dbraw/zinc/16/87/59/721168759.db2.gz	RLEKAZFTNPIQEM-VAMGGRTRSA-N	0	3	450.543	2.300	20	30		JEEDHN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879038	721169744	/nfs/dbraw/zinc/16/97/44/721169744.db2.gz	RLEKAZFTNPIQEM-XUVXKRRUSA-N	0	3	450.543	2.300	20	30		JEEDHN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C[C@H]21	ZINC001164951372	721960616	/nfs/dbraw/zinc/96/06/16/721960616.db2.gz	ZIPNLMJCYDKUJF-QXAKKESOSA-N	0	3	454.531	2.120	20	30		JEEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872786	721147269	/nfs/dbraw/zinc/14/72/69/721147269.db2.gz	IJUBFSWGPMDUMC-SLFFLAALSA-N	0	3	458.522	2.285	20	30		JEEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872781	721147678	/nfs/dbraw/zinc/14/76/78/721147678.db2.gz	IJUBFSWGPMDUMC-HSALFYBXSA-N	0	3	458.522	2.285	20	30		JEEDHN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C[C@@H]21	ZINC001164951374	721960726	/nfs/dbraw/zinc/96/07/26/721960726.db2.gz	ZIPNLMJCYDKUJF-YTQUADARSA-N	0	3	454.531	2.120	20	30		JEEDHN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C[C@H]21	ZINC001164951370	721960737	/nfs/dbraw/zinc/96/07/37/721960737.db2.gz	ZIPNLMJCYDKUJF-BHIYHBOVSA-N	0	3	454.531	2.120	20	30		JEEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164872789	721146779	/nfs/dbraw/zinc/14/67/79/721146779.db2.gz	IJUBFSWGPMDUMC-VAMGGRTRSA-N	0	3	458.522	2.285	20	30		JEEDHN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164879035	721169270	/nfs/dbraw/zinc/16/92/70/721169270.db2.gz	RLEKAZFTNPIQEM-SLFFLAALSA-N	0	3	450.543	2.300	20	30		JEEDHN
CC(C)(C)OC(=O)[C@H](C#N)c1nccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164879029	721169965	/nfs/dbraw/zinc/16/99/65/721169965.db2.gz	RLEKAZFTNPIQEM-HSALFYBXSA-N	0	3	450.543	2.300	20	30		JEEDHN
CSc1nc(Cl)c(C=NO)c(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1	ZINC001164884972	721396319	/nfs/dbraw/zinc/39/63/19/721396319.db2.gz	BGNWSBWUAZUQPV-YWZLYKJASA-N	0	3	455.028	2.425	20	30		JEEDHN
CSc1nc(Cl)c(C=NO)c(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)n1	ZINC001164884969	721396644	/nfs/dbraw/zinc/39/66/44/721396644.db2.gz	BGNWSBWUAZUQPV-FOIQADDNSA-N	0	3	455.028	2.425	20	30		JEEDHN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nccnc3C(C#N)C(=O)OC(C)(C)C)C[C@@H]21	ZINC001164951371	721960686	/nfs/dbraw/zinc/96/06/86/721960686.db2.gz	ZIPNLMJCYDKUJF-NZSAHSFTSA-N	0	3	454.531	2.120	20	30		JEEDHN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165004907	722269704	/nfs/dbraw/zinc/26/97/04/722269704.db2.gz	DUYJXSODTRAIIO-CLOONOSVSA-N	0	3	480.544	2.492	20	30		JEEDHN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165004916	722269896	/nfs/dbraw/zinc/26/98/96/722269896.db2.gz	DUYJXSODTRAIIO-UQBPGWFLSA-N	0	3	480.544	2.492	20	30		JEEDHN
CSc1nc(Cl)c(C=NO)c(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)n1	ZINC001164884970	721396589	/nfs/dbraw/zinc/39/65/89/721396589.db2.gz	BGNWSBWUAZUQPV-MGPUTAFESA-N	0	3	455.028	2.425	20	30		JEEDHN
CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccnc4[C@@H](C#N)C(=O)OC(C)(C)C)C3)O2)CC1	ZINC001164896089	721443556	/nfs/dbraw/zinc/44/35/56/721443556.db2.gz	QLTRAFDJCXJTKE-DFIYOIEZSA-N	0	3	470.618	2.191	20	30		JEEDHN
COC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164872791	721148225	/nfs/dbraw/zinc/14/82/25/721148225.db2.gz	IJUBFSWGPMDUMC-XUVXKRRUSA-N	0	3	458.522	2.285	20	30		JEEDHN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccnc1C(C#N)C(=O)OC(C)(C)C)C2	ZINC001165004910	722269735	/nfs/dbraw/zinc/26/97/35/722269735.db2.gz	DUYJXSODTRAIIO-DFBJGRDBSA-N	0	3	480.544	2.492	20	30		JEEDHN