smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[C@@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1	ZINC000189918735	497293379	/nfs/dbraw/zinc/29/33/79/497293379.db2.gz	GDVVEDRIAYHDFP-MRXNPFEDSA-N	2	2	359.433	3.423	10	30		FGEELP
COc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467886	497491365	/nfs/dbraw/zinc/49/13/65/497491365.db2.gz	IOCABMQSTVLBBZ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467886	497491373	/nfs/dbraw/zinc/49/13/73/497491373.db2.gz	IOCABMQSTVLBBZ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467886	497491380	/nfs/dbraw/zinc/49/13/80/497491380.db2.gz	IOCABMQSTVLBBZ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467886	497491388	/nfs/dbraw/zinc/49/13/88/497491388.db2.gz	IOCABMQSTVLBBZ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH+]1	ZINC000173779790	495690121	/nfs/dbraw/zinc/69/01/21/495690121.db2.gz	JHGVAXDGJAHPNE-QGZVFWFLSA-N	2	2	374.448	3.246	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH+]1	ZINC000173779790	495690125	/nfs/dbraw/zinc/69/01/25/495690125.db2.gz	JHGVAXDGJAHPNE-QGZVFWFLSA-N	2	2	374.448	3.246	10	30		FGEELP
C[C@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1	ZINC000189904647	497287941	/nfs/dbraw/zinc/28/79/41/497287941.db2.gz	DKWFGUUDLGLUSV-SFHVURJKSA-N	2	2	373.460	3.470	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261044	496865969	/nfs/dbraw/zinc/86/59/69/496865969.db2.gz	MNLWCPFWLDTXRQ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261044	496865971	/nfs/dbraw/zinc/86/59/71/496865971.db2.gz	MNLWCPFWLDTXRQ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261044	496865975	/nfs/dbraw/zinc/86/59/75/496865975.db2.gz	MNLWCPFWLDTXRQ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261044	496865977	/nfs/dbraw/zinc/86/59/77/496865977.db2.gz	MNLWCPFWLDTXRQ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177142226	495945554	/nfs/dbraw/zinc/94/55/54/495945554.db2.gz	DTVCAZWQQPDMJA-HNNXBMFYSA-N	2	2	371.510	3.271	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177142226	495945558	/nfs/dbraw/zinc/94/55/58/495945558.db2.gz	DTVCAZWQQPDMJA-HNNXBMFYSA-N	2	2	371.510	3.271	10	30		FGEELP
COc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467862	497491901	/nfs/dbraw/zinc/49/19/01/497491901.db2.gz	IOCABMQSTVLBBZ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467862	497491906	/nfs/dbraw/zinc/49/19/06/497491906.db2.gz	IOCABMQSTVLBBZ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467862	497491911	/nfs/dbraw/zinc/49/19/11/497491911.db2.gz	IOCABMQSTVLBBZ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3scnc3C)C2)cc1C#N	ZINC000190467862	497491917	/nfs/dbraw/zinc/49/19/17/497491917.db2.gz	IOCABMQSTVLBBZ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1	ZINC000195262282	496866551	/nfs/dbraw/zinc/86/65/51/496866551.db2.gz	MGJFQOFUAVRHAU-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1	ZINC000195262282	496866553	/nfs/dbraw/zinc/86/65/53/496866553.db2.gz	MGJFQOFUAVRHAU-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000195262282	496866559	/nfs/dbraw/zinc/86/65/59/496866559.db2.gz	MGJFQOFUAVRHAU-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000195262282	496866562	/nfs/dbraw/zinc/86/65/62/496866562.db2.gz	MGJFQOFUAVRHAU-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc1	ZINC000190473188	497494554	/nfs/dbraw/zinc/49/45/54/497494554.db2.gz	RGFLYELAORBYPZ-QFIPXVFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)cc1	ZINC000190473188	497494555	/nfs/dbraw/zinc/49/45/55/497494555.db2.gz	RGFLYELAORBYPZ-QFIPXVFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1	ZINC000190473188	497494557	/nfs/dbraw/zinc/49/45/57/497494557.db2.gz	RGFLYELAORBYPZ-QFIPXVFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)cc1	ZINC000190473188	497494558	/nfs/dbraw/zinc/49/45/58/497494558.db2.gz	RGFLYELAORBYPZ-QFIPXVFZSA-N	2	2	363.505	3.438	10	30		FGEELP
Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C	ZINC000177092564	495921054	/nfs/dbraw/zinc/92/10/54/495921054.db2.gz	OWIPDARBZMZQKM-HNNXBMFYSA-N	2	2	369.494	3.004	10	30		FGEELP
Cc1sc(NC(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(C#N)c1C	ZINC000177092564	495921059	/nfs/dbraw/zinc/92/10/59/495921059.db2.gz	OWIPDARBZMZQKM-HNNXBMFYSA-N	2	2	369.494	3.004	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180666805	496095763	/nfs/dbraw/zinc/09/57/63/496095763.db2.gz	QKJXWSGTHBEZHH-CVEARBPZSA-N	2	2	359.433	3.422	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000157998768	496605598	/nfs/dbraw/zinc/60/55/98/496605598.db2.gz	HUSJTKBKRWDXPF-QGZVFWFLSA-N	2	2	354.454	3.042	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000157998768	496605605	/nfs/dbraw/zinc/60/56/05/496605605.db2.gz	HUSJTKBKRWDXPF-QGZVFWFLSA-N	2	2	354.454	3.042	10	30		FGEELP
C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1	ZINC000195288379	496876971	/nfs/dbraw/zinc/87/69/71/496876971.db2.gz	SZNJDJREOHYWFY-NRFANRHFSA-N	2	2	364.493	3.176	10	30		FGEELP
C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1	ZINC000195288379	496876977	/nfs/dbraw/zinc/87/69/77/496876977.db2.gz	SZNJDJREOHYWFY-NRFANRHFSA-N	2	2	364.493	3.176	10	30		FGEELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000195288379	496876984	/nfs/dbraw/zinc/87/69/84/496876984.db2.gz	SZNJDJREOHYWFY-NRFANRHFSA-N	2	2	364.493	3.176	10	30		FGEELP
C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000195288379	496876991	/nfs/dbraw/zinc/87/69/91/496876991.db2.gz	SZNJDJREOHYWFY-NRFANRHFSA-N	2	2	364.493	3.176	10	30		FGEELP
COc1cc(C#N)ccc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254749	496863088	/nfs/dbraw/zinc/86/30/88/496863088.db2.gz	QFOZOQTUYIQHPJ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254749	496863090	/nfs/dbraw/zinc/86/30/90/496863090.db2.gz	QFOZOQTUYIQHPJ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195254749	496863094	/nfs/dbraw/zinc/86/30/94/496863094.db2.gz	QFOZOQTUYIQHPJ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195254749	496863096	/nfs/dbraw/zinc/86/30/96/496863096.db2.gz	QFOZOQTUYIQHPJ-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1	ZINC000195268344	496869523	/nfs/dbraw/zinc/86/95/23/496869523.db2.gz	QXKWWYUCWQQUTE-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1	ZINC000195268344	496869526	/nfs/dbraw/zinc/86/95/26/496869526.db2.gz	QXKWWYUCWQQUTE-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1	ZINC000195268344	496869528	/nfs/dbraw/zinc/86/95/28/496869528.db2.gz	QXKWWYUCWQQUTE-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000195268344	496869531	/nfs/dbraw/zinc/86/95/31/496869531.db2.gz	QXKWWYUCWQQUTE-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000106214745	495432600	/nfs/dbraw/zinc/43/26/00/495432600.db2.gz	QDQPREPPFRALSN-MRXNPFEDSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000106214745	495432604	/nfs/dbraw/zinc/43/26/04/495432604.db2.gz	QDQPREPPFRALSN-MRXNPFEDSA-N	2	2	371.872	3.246	10	30		FGEELP
Cn1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180042742	495833838	/nfs/dbraw/zinc/83/38/38/495833838.db2.gz	CRHPDENBHBYOKO-GOSISDBHSA-N	2	2	372.476	3.288	10	30		FGEELP
Cn1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180042742	495833845	/nfs/dbraw/zinc/83/38/45/495833845.db2.gz	CRHPDENBHBYOKO-GOSISDBHSA-N	2	2	372.476	3.288	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000171652418	495971743	/nfs/dbraw/zinc/97/17/43/495971743.db2.gz	ONBUXPZAPBZJKV-IRXDYDNUSA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000171652418	495971746	/nfs/dbraw/zinc/97/17/46/495971746.db2.gz	ONBUXPZAPBZJKV-IRXDYDNUSA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1	ZINC000195261507	496866815	/nfs/dbraw/zinc/86/68/15/496866815.db2.gz	HTMVNGXHDVNMHX-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(C#N)c2)C1	ZINC000195261507	496866821	/nfs/dbraw/zinc/86/68/21/496866821.db2.gz	HTMVNGXHDVNMHX-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1	ZINC000195261507	496866824	/nfs/dbraw/zinc/86/68/24/496866824.db2.gz	HTMVNGXHDVNMHX-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000195261507	496866828	/nfs/dbraw/zinc/86/68/28/496866828.db2.gz	HTMVNGXHDVNMHX-GOSISDBHSA-N	2	2	370.522	3.156	10	30		FGEELP
C=CCC[C@H](C[NH+]1CCOCC1)Oc1ccc(C[NH+]2CCCCC2)cn1	ZINC000072434916	494175390	/nfs/dbraw/zinc/17/53/90/494175390.db2.gz	ARNTZCWGDBDKFC-HXUWFJFHSA-N	2	2	359.514	3.113	10	30		FGEELP
C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072412	705570257	/nfs/dbraw/zinc/57/02/57/705570257.db2.gz	AAVOIPJHPVVQNU-INIZCTEOSA-N	2	2	358.515	3.105	10	30		FGEELP
C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072412	705570260	/nfs/dbraw/zinc/57/02/60/705570260.db2.gz	AAVOIPJHPVVQNU-INIZCTEOSA-N	2	2	358.515	3.105	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000246208607	497661372	/nfs/dbraw/zinc/66/13/72/497661372.db2.gz	YTFXXRFZDYJRPW-AEFFLSMTSA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000246208607	497661378	/nfs/dbraw/zinc/66/13/78/497661378.db2.gz	YTFXXRFZDYJRPW-AEFFLSMTSA-N	2	2	363.465	3.023	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173698494	495653324	/nfs/dbraw/zinc/65/33/24/495653324.db2.gz	SFKBNLGAECXXNH-KRWDZBQOSA-N	2	2	362.437	3.204	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173698494	495653327	/nfs/dbraw/zinc/65/33/27/495653327.db2.gz	SFKBNLGAECXXNH-KRWDZBQOSA-N	2	2	362.437	3.204	10	30		FGEELP
C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1cccc(C#N)c1	ZINC000180666782	496095638	/nfs/dbraw/zinc/09/56/38/496095638.db2.gz	QKJXWSGTHBEZHH-HOTGVXAUSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000246145872	497637725	/nfs/dbraw/zinc/63/77/25/497637725.db2.gz	ONBUXPZAPBZJKV-SJORKVTESA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000246145872	497637727	/nfs/dbraw/zinc/63/77/27/497637727.db2.gz	ONBUXPZAPBZJKV-SJORKVTESA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)[nH+]1	ZINC000302800104	498579847	/nfs/dbraw/zinc/57/98/47/498579847.db2.gz	SMONTBOGSYENKT-IBGZPJMESA-N	2	2	350.466	3.273	10	30		FGEELP
Cc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)[nH+]1	ZINC000302800104	498579852	/nfs/dbraw/zinc/57/98/52/498579852.db2.gz	SMONTBOGSYENKT-IBGZPJMESA-N	2	2	350.466	3.273	10	30		FGEELP
C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000151345531	704920268	/nfs/dbraw/zinc/92/02/68/704920268.db2.gz	HSOGJYRXIOLOMA-FUHWJXTLSA-N	2	2	352.906	3.315	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000106217352	495434876	/nfs/dbraw/zinc/43/48/76/495434876.db2.gz	GCXOPGIUEYYXPT-MRXNPFEDSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000106217352	495434877	/nfs/dbraw/zinc/43/48/77/495434877.db2.gz	GCXOPGIUEYYXPT-MRXNPFEDSA-N	2	2	371.872	3.246	10	30		FGEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br	ZINC000191805032	496896172	/nfs/dbraw/zinc/89/61/72/496896172.db2.gz	HLCQXOMOXTYQLG-INIZCTEOSA-N	2	2	359.271	3.490	10	30		FGEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br	ZINC000191805032	496896176	/nfs/dbraw/zinc/89/61/76/496896176.db2.gz	HLCQXOMOXTYQLG-INIZCTEOSA-N	2	2	359.271	3.490	10	30		FGEELP
C[C@@H]([NH2+]CC(=O)N(CCC#N)c1ccccc1)c1cccc(-n2cc[nH+]c2)c1	ZINC000189904662	497287444	/nfs/dbraw/zinc/28/74/44/497287444.db2.gz	DKWFGUUDLGLUSV-GOSISDBHSA-N	2	2	373.460	3.470	10	30		FGEELP
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C	ZINC000171644722	495964386	/nfs/dbraw/zinc/96/43/86/495964386.db2.gz	HTXWBKWBFLFDIM-GOSISDBHSA-N	2	2	352.482	3.303	10	30		FGEELP
C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c1C	ZINC000171644722	495964391	/nfs/dbraw/zinc/96/43/91/495964391.db2.gz	HTXWBKWBFLFDIM-GOSISDBHSA-N	2	2	352.482	3.303	10	30		FGEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br	ZINC000181136711	496283897	/nfs/dbraw/zinc/28/38/97/496283897.db2.gz	VNUVPYCYQIDHQX-MRXNPFEDSA-N	2	2	359.271	3.490	10	30		FGEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br	ZINC000181136711	496283898	/nfs/dbraw/zinc/28/38/98/496283898.db2.gz	VNUVPYCYQIDHQX-MRXNPFEDSA-N	2	2	359.271	3.490	10	30		FGEELP
COc1ccc(C#N)cc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195260038	496864691	/nfs/dbraw/zinc/86/46/91/496864691.db2.gz	FSDWKLRFFZPYDI-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195260038	496864697	/nfs/dbraw/zinc/86/46/97/496864697.db2.gz	FSDWKLRFFZPYDI-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195260038	496864698	/nfs/dbraw/zinc/86/46/98/496864698.db2.gz	FSDWKLRFFZPYDI-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195260038	496864706	/nfs/dbraw/zinc/86/47/06/496864706.db2.gz	FSDWKLRFFZPYDI-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000246145859	497637377	/nfs/dbraw/zinc/63/73/77/497637377.db2.gz	ONBUXPZAPBZJKV-IAGOWNOFSA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000246145859	497637381	/nfs/dbraw/zinc/63/73/81/497637381.db2.gz	ONBUXPZAPBZJKV-IAGOWNOFSA-N	2	2	363.465	3.023	10	30		FGEELP
C=CCc1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1O	ZINC000092812585	494758166	/nfs/dbraw/zinc/75/81/66/494758166.db2.gz	KFVHZQZKIROZAW-INIZCTEOSA-N	2	2	353.466	3.458	10	30		FGEELP
C=CCc1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)cc(OC)c1O	ZINC000092812585	494758176	/nfs/dbraw/zinc/75/81/76/494758176.db2.gz	KFVHZQZKIROZAW-INIZCTEOSA-N	2	2	353.466	3.458	10	30		FGEELP
C[C@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180659566	496090960	/nfs/dbraw/zinc/09/09/60/496090960.db2.gz	UTSIMMNRYCBSOR-KRWDZBQOSA-N	2	2	365.481	3.208	10	30		FGEELP
C=CCC[C@@H](C[NH+]1CCOCC1)Oc1ccc(C[NH+]2CCCCC2)cn1	ZINC000072434914	210066530	/nfs/dbraw/zinc/06/65/30/210066530.db2.gz	ARNTZCWGDBDKFC-FQEVSTJZSA-N	2	2	359.514	3.113	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccccc1C#N	ZINC000180672373	496098642	/nfs/dbraw/zinc/09/86/42/496098642.db2.gz	ANLPWDCNRZXAJK-JKSUJKDBSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1	ZINC000195262265	496866112	/nfs/dbraw/zinc/86/61/12/496866112.db2.gz	MGJFQOFUAVRHAU-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(C#N)ccc2F)C1	ZINC000195262265	496866116	/nfs/dbraw/zinc/86/61/16/496866116.db2.gz	MGJFQOFUAVRHAU-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(C#N)ccc2F)C1	ZINC000195262265	496866122	/nfs/dbraw/zinc/86/61/22/496866122.db2.gz	MGJFQOFUAVRHAU-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(C#N)ccc2F)C1	ZINC000195262265	496866127	/nfs/dbraw/zinc/86/61/27/496866127.db2.gz	MGJFQOFUAVRHAU-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000106217355	495435002	/nfs/dbraw/zinc/43/50/02/495435002.db2.gz	GCXOPGIUEYYXPT-INIZCTEOSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C#N)c(Cl)c2)C1	ZINC000106217355	495435003	/nfs/dbraw/zinc/43/50/03/495435003.db2.gz	GCXOPGIUEYYXPT-INIZCTEOSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000106216823	495435351	/nfs/dbraw/zinc/43/53/51/495435351.db2.gz	XXVKCTSMIQWAPH-LJQANCHMSA-N	2	2	365.481	3.029	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000106216823	495435355	/nfs/dbraw/zinc/43/53/55/495435355.db2.gz	XXVKCTSMIQWAPH-LJQANCHMSA-N	2	2	365.481	3.029	10	30		FGEELP
C=C(C)C[NH+]1CCC(NC(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1	ZINC000176498448	495674255	/nfs/dbraw/zinc/67/42/55/495674255.db2.gz	ZJJOUKRBDWBRJH-KRWDZBQOSA-N	2	2	367.497	3.273	10	30		FGEELP
C=CCOc1cccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121203994	494643704	/nfs/dbraw/zinc/64/37/04/494643704.db2.gz	BVBHETWBXFKVLX-UHFFFAOYSA-N	2	2	354.498	3.044	10	30		FGEELP
C=CCOc1cccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)c1	ZINC000121203994	494643710	/nfs/dbraw/zinc/64/37/10/494643710.db2.gz	BVBHETWBXFKVLX-UHFFFAOYSA-N	2	2	354.498	3.044	10	30		FGEELP
COc1cc(C#N)ccc1OCC[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180662599	496092466	/nfs/dbraw/zinc/09/24/66/496092466.db2.gz	QLTBTISNJRFALG-INIZCTEOSA-N	2	2	362.433	3.482	10	30		FGEELP
Cc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)[nH+]1	ZINC000302800105	498579585	/nfs/dbraw/zinc/57/95/85/498579585.db2.gz	SMONTBOGSYENKT-LJQANCHMSA-N	2	2	350.466	3.273	10	30		FGEELP
Cc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)c(C#N)c(C)[nH+]1	ZINC000302800105	498579592	/nfs/dbraw/zinc/57/95/92/498579592.db2.gz	SMONTBOGSYENKT-LJQANCHMSA-N	2	2	350.466	3.273	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000106216929	495434054	/nfs/dbraw/zinc/43/40/54/495434054.db2.gz	FSNQGVOCNOQGMF-OAHLLOKOSA-N	2	2	357.483	3.044	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000106216929	495434056	/nfs/dbraw/zinc/43/40/56/495434056.db2.gz	FSNQGVOCNOQGMF-OAHLLOKOSA-N	2	2	357.483	3.044	10	30		FGEELP
COc1ccc([C@H](CNc2cc(C)[nH+]c(C)c2C#N)[NH+](C)C)cc1OC	ZINC000160438731	495964085	/nfs/dbraw/zinc/96/40/85/495964085.db2.gz	ONNWXUMUVLKKJY-SFHVURJKSA-N	2	2	354.454	3.302	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1	ZINC000195255916	496863370	/nfs/dbraw/zinc/86/33/70/496863370.db2.gz	JEOKKHZZWWJIFD-KRWDZBQOSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2C#N)C1	ZINC000195255916	496863376	/nfs/dbraw/zinc/86/33/76/496863376.db2.gz	JEOKKHZZWWJIFD-KRWDZBQOSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C#N)C1	ZINC000195255916	496863378	/nfs/dbraw/zinc/86/33/78/496863378.db2.gz	JEOKKHZZWWJIFD-KRWDZBQOSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000195255916	496863385	/nfs/dbraw/zinc/86/33/85/496863385.db2.gz	JEOKKHZZWWJIFD-KRWDZBQOSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1	ZINC000195255929	496863731	/nfs/dbraw/zinc/86/37/31/496863731.db2.gz	JEOKKHZZWWJIFD-QGZVFWFLSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2C#N)C1	ZINC000195255929	496863738	/nfs/dbraw/zinc/86/37/38/496863738.db2.gz	JEOKKHZZWWJIFD-QGZVFWFLSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C#N)C1	ZINC000195255929	496863741	/nfs/dbraw/zinc/86/37/41/496863741.db2.gz	JEOKKHZZWWJIFD-QGZVFWFLSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C#N)C1	ZINC000195255929	496863746	/nfs/dbraw/zinc/86/37/46/496863746.db2.gz	JEOKKHZZWWJIFD-QGZVFWFLSA-N	2	2	370.522	3.156	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000106214746	495433092	/nfs/dbraw/zinc/43/30/92/495433092.db2.gz	QDQPREPPFRALSN-INIZCTEOSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cc(Cl)ccc2C#N)C1	ZINC000106214746	495433097	/nfs/dbraw/zinc/43/30/97/495433097.db2.gz	QDQPREPPFRALSN-INIZCTEOSA-N	2	2	371.872	3.246	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000106216931	495434965	/nfs/dbraw/zinc/43/49/65/495434965.db2.gz	FSNQGVOCNOQGMF-HNNXBMFYSA-N	2	2	357.483	3.044	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCC(=O)Nc2sccc2C#N)C1	ZINC000106216931	495434967	/nfs/dbraw/zinc/43/49/67/495434967.db2.gz	FSNQGVOCNOQGMF-HNNXBMFYSA-N	2	2	357.483	3.044	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177142209	495945811	/nfs/dbraw/zinc/94/58/11/495945811.db2.gz	DTVCAZWQQPDMJA-OAHLLOKOSA-N	2	2	371.510	3.271	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2sc(C)c(C)c2C#N)C1	ZINC000177142209	495945817	/nfs/dbraw/zinc/94/58/17/495945817.db2.gz	DTVCAZWQQPDMJA-OAHLLOKOSA-N	2	2	371.510	3.271	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000171652422	495971616	/nfs/dbraw/zinc/97/16/16/495971616.db2.gz	ONBUXPZAPBZJKV-DLBZAZTESA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C#N)C2)[nH+]1	ZINC000171652422	495971620	/nfs/dbraw/zinc/97/16/20/495971620.db2.gz	ONBUXPZAPBZJKV-DLBZAZTESA-N	2	2	363.465	3.023	10	30		FGEELP
C[C@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180655047	496088341	/nfs/dbraw/zinc/08/83/41/496088341.db2.gz	YSLKLURXIGIEPE-INIZCTEOSA-N	2	2	359.433	3.423	10	30		FGEELP
C=C(Cl)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000151345399	704920012	/nfs/dbraw/zinc/92/00/12/704920012.db2.gz	HSOGJYRXIOLOMA-WMZOPIPTSA-N	2	2	352.906	3.315	10	30		FGEELP
Cn1cc(C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180042762	495834459	/nfs/dbraw/zinc/83/44/59/495834459.db2.gz	CRHPDENBHBYOKO-SFHVURJKSA-N	2	2	372.476	3.288	10	30		FGEELP
Cn1cc(C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c(-c2ccc(C#N)cc2)n1	ZINC000180042762	495834462	/nfs/dbraw/zinc/83/44/62/495834462.db2.gz	CRHPDENBHBYOKO-SFHVURJKSA-N	2	2	372.476	3.288	10	30		FGEELP
C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1	ZINC000151345466	704920058	/nfs/dbraw/zinc/92/00/58/704920058.db2.gz	HSOGJYRXIOLOMA-AEFFLSMTSA-N	2	2	352.906	3.315	10	30		FGEELP
COc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254736	496863684	/nfs/dbraw/zinc/86/36/84/496863684.db2.gz	QFOZOQTUYIQHPJ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[N@H+]1CC[C@@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195254736	496863689	/nfs/dbraw/zinc/86/36/89/496863689.db2.gz	QFOZOQTUYIQHPJ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195254736	496863696	/nfs/dbraw/zinc/86/36/96/496863696.db2.gz	QFOZOQTUYIQHPJ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1C[NH+]1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195254736	496863700	/nfs/dbraw/zinc/86/37/00/496863700.db2.gz	QFOZOQTUYIQHPJ-KRWDZBQOSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1cc(C#N)ccc1OCC[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000180662615	496092735	/nfs/dbraw/zinc/09/27/35/496092735.db2.gz	QLTBTISNJRFALG-MRXNPFEDSA-N	2	2	362.433	3.482	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1	ZINC000190462286	497488763	/nfs/dbraw/zinc/48/87/63/497488763.db2.gz	RMYOJAAKSBDUQJ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1	ZINC000190462286	497488768	/nfs/dbraw/zinc/48/87/68/497488768.db2.gz	RMYOJAAKSBDUQJ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC000190462286	497488771	/nfs/dbraw/zinc/48/87/71/497488771.db2.gz	RMYOJAAKSBDUQJ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1	ZINC000190462286	497488775	/nfs/dbraw/zinc/48/87/75/497488775.db2.gz	RMYOJAAKSBDUQJ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
C[C@@H]([NH2+]CC(=O)N(C)C1(C#N)CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180659586	496091501	/nfs/dbraw/zinc/09/15/01/496091501.db2.gz	UTSIMMNRYCBSOR-QGZVFWFLSA-N	2	2	365.481	3.208	10	30		FGEELP
C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1(C#N)CCCCC1	ZINC000180663680	496094316	/nfs/dbraw/zinc/09/43/16/496094316.db2.gz	OLWCUSUWXNJNOV-IAGOWNOFSA-N	2	2	365.481	3.254	10	30		FGEELP
C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1	ZINC000330259833	498084228	/nfs/dbraw/zinc/08/42/28/498084228.db2.gz	SHHNKMFPYJGFRK-YZGWKJHDSA-N	2	2	367.497	3.097	10	30		FGEELP
C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2Cn2cc[nH+]c2)C1	ZINC000330259833	498084237	/nfs/dbraw/zinc/08/42/37/498084237.db2.gz	SHHNKMFPYJGFRK-YZGWKJHDSA-N	2	2	367.497	3.097	10	30		FGEELP
C[C@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000189904373	497287350	/nfs/dbraw/zinc/28/73/50/497287350.db2.gz	HXTYBQQWDASUCY-AWEZNQCLSA-N	2	2	365.462	3.485	10	30		FGEELP
C=C(Cl)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1	ZINC000151345589	704920250	/nfs/dbraw/zinc/92/02/50/704920250.db2.gz	HSOGJYRXIOLOMA-SJLPKXTDSA-N	2	2	352.906	3.315	10	30		FGEELP
Cc1sc(NC(=O)C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C	ZINC000177092549	495921442	/nfs/dbraw/zinc/92/14/42/495921442.db2.gz	OWIPDARBZMZQKM-OAHLLOKOSA-N	2	2	369.494	3.004	10	30		FGEELP
Cc1sc(NC(=O)C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)c(C#N)c1C	ZINC000177092549	495921448	/nfs/dbraw/zinc/92/14/48/495921448.db2.gz	OWIPDARBZMZQKM-OAHLLOKOSA-N	2	2	369.494	3.004	10	30		FGEELP
Cc1oc(NC(=O)C[NH2+][C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C#N)c1C	ZINC000180645796	496084910	/nfs/dbraw/zinc/08/49/10/496084910.db2.gz	GJCHMWZSKRHXQT-AWEZNQCLSA-N	2	2	363.421	3.243	10	30		FGEELP
C[C@@H]([NH2+]CCC(=O)Nc1sccc1C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000189904389	497287468	/nfs/dbraw/zinc/28/74/68/497287468.db2.gz	HXTYBQQWDASUCY-CQSZACIVSA-N	2	2	365.462	3.485	10	30		FGEELP
C=CC[NH+]1CCC(Nc2cc(C)[nH+]c(-c3cccc([N+](=O)[O-])c3)n2)CC1	ZINC000301247257	498019443	/nfs/dbraw/zinc/01/94/43/498019443.db2.gz	QNHSZVJBOYKYMT-UHFFFAOYSA-N	2	2	353.426	3.423	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000180672360	496097663	/nfs/dbraw/zinc/09/76/63/496097663.db2.gz	ANLPWDCNRZXAJK-CVEARBPZSA-N	2	2	359.433	3.422	10	30		FGEELP
C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc1	ZINC000190473211	497494614	/nfs/dbraw/zinc/49/46/14/497494614.db2.gz	RGFLYELAORBYPZ-JOCHJYFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)cc1	ZINC000190473211	497494616	/nfs/dbraw/zinc/49/46/16/497494616.db2.gz	RGFLYELAORBYPZ-JOCHJYFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1	ZINC000190473211	497494619	/nfs/dbraw/zinc/49/46/19/497494619.db2.gz	RGFLYELAORBYPZ-JOCHJYFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C#CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)cc1	ZINC000190473211	497494621	/nfs/dbraw/zinc/49/46/21/497494621.db2.gz	RGFLYELAORBYPZ-JOCHJYFZSA-N	2	2	363.505	3.438	10	30		FGEELP
C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1cccc(C#N)c1	ZINC000180666847	496095433	/nfs/dbraw/zinc/09/54/33/496095433.db2.gz	QKJXWSGTHBEZHH-HZPDHXFCSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1	ZINC000195261491	496866393	/nfs/dbraw/zinc/86/63/93/496866393.db2.gz	HTMVNGXHDVNMHX-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(C#N)c2)C1	ZINC000195261491	496866395	/nfs/dbraw/zinc/86/63/95/496866395.db2.gz	HTMVNGXHDVNMHX-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(C#N)c2)C1	ZINC000195261491	496866400	/nfs/dbraw/zinc/86/64/00/496866400.db2.gz	HTMVNGXHDVNMHX-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(C#N)c2)C1	ZINC000195261491	496866403	/nfs/dbraw/zinc/86/64/03/496866403.db2.gz	HTMVNGXHDVNMHX-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1cc(N2CCCN(c3cc(C)[nH+]c(C)c3C#N)CC2)c(C#N)c(C)[nH+]1	ZINC000301755747	498252845	/nfs/dbraw/zinc/25/28/45/498252845.db2.gz	DIGUKKJLFFAXIX-UHFFFAOYSA-N	2	2	360.465	3.170	10	30		FGEELP
C=CCn1c(C2CC2)nn(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072435	705570499	/nfs/dbraw/zinc/57/04/99/705570499.db2.gz	AAVOIPJHPVVQNU-MRXNPFEDSA-N	2	2	358.515	3.105	10	30		FGEELP
C=CCn1c(C2CC2)nn(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1=S	ZINC000176072435	705570504	/nfs/dbraw/zinc/57/05/04/705570504.db2.gz	AAVOIPJHPVVQNU-MRXNPFEDSA-N	2	2	358.515	3.105	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1(C#N)CCCCC1	ZINC000180663661	496093681	/nfs/dbraw/zinc/09/36/81/496093681.db2.gz	OLWCUSUWXNJNOV-DLBZAZTESA-N	2	2	365.481	3.254	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)C(=O)NC1(C#N)CCCCC1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180663645	496093910	/nfs/dbraw/zinc/09/39/10/496093910.db2.gz	OLWCUSUWXNJNOV-SJORKVTESA-N	2	2	365.481	3.254	10	30		FGEELP
C[C@H]([NH2+]CCC(=O)Nc1cccc(C#N)c1)c1cccc(-n2cc[nH+]c2)c1	ZINC000189918718	497292346	/nfs/dbraw/zinc/29/23/46/497292346.db2.gz	GDVVEDRIAYHDFP-INIZCTEOSA-N	2	2	359.433	3.423	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH+]1	ZINC000173779780	495689733	/nfs/dbraw/zinc/68/97/33/495689733.db2.gz	JHGVAXDGJAHPNE-KRWDZBQOSA-N	2	2	374.448	3.246	10	30		FGEELP
Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccc(C#N)cc4)o3)C2)[nH+]1	ZINC000173779780	495689739	/nfs/dbraw/zinc/68/97/39/495689739.db2.gz	JHGVAXDGJAHPNE-KRWDZBQOSA-N	2	2	374.448	3.246	10	30		FGEELP
C[C@@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1cccc(C#N)c1	ZINC000180666826	496095832	/nfs/dbraw/zinc/09/58/32/496095832.db2.gz	QKJXWSGTHBEZHH-JKSUJKDBSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1	ZINC000190462311	497487930	/nfs/dbraw/zinc/48/79/30/497487930.db2.gz	RMYOJAAKSBDUQJ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)cc2F)C1	ZINC000190462311	497487936	/nfs/dbraw/zinc/48/79/36/497487936.db2.gz	RMYOJAAKSBDUQJ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)cc2F)C1	ZINC000190462311	497487943	/nfs/dbraw/zinc/48/79/43/497487943.db2.gz	RMYOJAAKSBDUQJ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)cc2F)C1	ZINC000190462311	497487948	/nfs/dbraw/zinc/48/79/48/497487948.db2.gz	RMYOJAAKSBDUQJ-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
C=CCc1cc(C[N@@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1O	ZINC000092812584	494758022	/nfs/dbraw/zinc/75/80/22/494758022.db2.gz	KFVHZQZKIROZAW-MRXNPFEDSA-N	2	2	353.466	3.458	10	30		FGEELP
C=CCc1cc(C[N@H+]2CC[C@H](CNc3cccc[nH+]3)C2)cc(OC)c1O	ZINC000092812584	494758031	/nfs/dbraw/zinc/75/80/31/494758031.db2.gz	KFVHZQZKIROZAW-MRXNPFEDSA-N	2	2	353.466	3.458	10	30		FGEELP
C[C@@H]([NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccccc1C#N	ZINC000180672389	496098570	/nfs/dbraw/zinc/09/85/70/496098570.db2.gz	ANLPWDCNRZXAJK-HZPDHXFCSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc(C#N)ccc1Br	ZINC000191805046	496896936	/nfs/dbraw/zinc/89/69/36/496896936.db2.gz	HLCQXOMOXTYQLG-MRXNPFEDSA-N	2	2	359.271	3.490	10	30		FGEELP
Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc(C#N)ccc1Br	ZINC000191805046	496896938	/nfs/dbraw/zinc/89/69/38/496896938.db2.gz	HLCQXOMOXTYQLG-MRXNPFEDSA-N	2	2	359.271	3.490	10	30		FGEELP
C[C@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000180647202	496085647	/nfs/dbraw/zinc/08/56/47/496085647.db2.gz	PMICWFYRMBSCIW-ZDUSSCGKSA-N	2	2	351.435	3.095	10	30		FGEELP
COc1ccc([C@@H](CNc2cc(C)[nH+]c(C)c2C#N)[NH+](C)C)cc1OC	ZINC000160438866	495963682	/nfs/dbraw/zinc/96/36/82/495963682.db2.gz	ONNWXUMUVLKKJY-GOSISDBHSA-N	2	2	354.454	3.302	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000157998917	496604858	/nfs/dbraw/zinc/60/48/58/496604858.db2.gz	HUSJTKBKRWDXPF-KRWDZBQOSA-N	2	2	354.454	3.042	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CCOc2ccc(C#N)cc2OC)C1	ZINC000157998917	496604865	/nfs/dbraw/zinc/60/48/65/496604865.db2.gz	HUSJTKBKRWDXPF-KRWDZBQOSA-N	2	2	354.454	3.042	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000246208618	497661913	/nfs/dbraw/zinc/66/19/13/497661913.db2.gz	YTFXXRFZDYJRPW-SJLPKXTDSA-N	2	2	363.465	3.023	10	30		FGEELP
Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C)C(=O)Nc3cccc(C#N)c3)C2)[nH+]1	ZINC000246208618	497661918	/nfs/dbraw/zinc/66/19/18/497661918.db2.gz	YTFXXRFZDYJRPW-SJLPKXTDSA-N	2	2	363.465	3.023	10	30		FGEELP
CC[NH+]1CCN(Cc2ccc(CNc3cc(C)[nH+]c(C)c3C#N)cc2)CC1	ZINC000301760333	498254353	/nfs/dbraw/zinc/25/43/53/498254353.db2.gz	FPUDAWPPUCKEOK-UHFFFAOYSA-N	2	2	363.509	3.320	10	30		FGEELP
C=C(C)C[NH+]1CCC(NC(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)CC1	ZINC000176498460	495674371	/nfs/dbraw/zinc/67/43/71/495674371.db2.gz	ZJJOUKRBDWBRJH-QGZVFWFLSA-N	2	2	367.497	3.273	10	30		FGEELP
Cc1oc(NC(=O)C[NH2+][C@H](C)c2cccc(-n3cc[nH+]c3)c2)c(C#N)c1C	ZINC000180645813	496084451	/nfs/dbraw/zinc/08/44/51/496084451.db2.gz	GJCHMWZSKRHXQT-CQSZACIVSA-N	2	2	363.421	3.243	10	30		FGEELP
C[C@@H]([NH2+]CCC(=O)Nc1ccc(C#N)cc1)c1cccc(-n2cc[nH+]c2)c1	ZINC000180655063	496088157	/nfs/dbraw/zinc/08/81/57/496088157.db2.gz	YSLKLURXIGIEPE-MRXNPFEDSA-N	2	2	359.433	3.423	10	30		FGEELP
C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)Nc1ccccc1C#N	ZINC000180672342	496097738	/nfs/dbraw/zinc/09/77/38/496097738.db2.gz	ANLPWDCNRZXAJK-HOTGVXAUSA-N	2	2	359.433	3.422	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262545	496866921	/nfs/dbraw/zinc/86/69/21/496866921.db2.gz	JKPJOJROQZFKSI-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262545	496866925	/nfs/dbraw/zinc/86/69/25/496866925.db2.gz	JKPJOJROQZFKSI-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262545	496866927	/nfs/dbraw/zinc/86/69/27/496866927.db2.gz	JKPJOJROQZFKSI-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262545	496866931	/nfs/dbraw/zinc/86/69/31/496866931.db2.gz	JKPJOJROQZFKSI-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
C[N@H+](Cc1ccccc1C(C)(C)C#N)C1CC[NH+](CCn2cccn2)CC1	ZINC000135197978	495261797	/nfs/dbraw/zinc/26/17/97/495261797.db2.gz	HGHUXYMQHMOMEQ-UHFFFAOYSA-N	2	2	365.525	3.281	10	30		FGEELP
C[N@@H+](Cc1ccccc1C(C)(C)C#N)C1CC[NH+](CCn2cccn2)CC1	ZINC000135197978	495261798	/nfs/dbraw/zinc/26/17/98/495261798.db2.gz	HGHUXYMQHMOMEQ-UHFFFAOYSA-N	2	2	365.525	3.281	10	30		FGEELP
C[C@H]([NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1)C(=O)NC1(C#N)CCCCC1	ZINC000180663627	496094145	/nfs/dbraw/zinc/09/41/45/496094145.db2.gz	OLWCUSUWXNJNOV-IRXDYDNUSA-N	2	2	365.481	3.254	10	30		FGEELP
C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1	ZINC000195288392	496876869	/nfs/dbraw/zinc/87/68/69/496876869.db2.gz	SZNJDJREOHYWFY-OAQYLSRUSA-N	2	2	364.493	3.176	10	30		FGEELP
C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCOc2cccc(C#N)c2)C1	ZINC000195288392	496876873	/nfs/dbraw/zinc/87/68/73/496876873.db2.gz	SZNJDJREOHYWFY-OAQYLSRUSA-N	2	2	364.493	3.176	10	30		FGEELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCOc2cccc(C#N)c2)C1	ZINC000195288392	496876880	/nfs/dbraw/zinc/87/68/80/496876880.db2.gz	SZNJDJREOHYWFY-OAQYLSRUSA-N	2	2	364.493	3.176	10	30		FGEELP
C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCOc2cccc(C#N)c2)C1	ZINC000195288392	496876885	/nfs/dbraw/zinc/87/68/85/496876885.db2.gz	SZNJDJREOHYWFY-OAQYLSRUSA-N	2	2	364.493	3.176	10	30		FGEELP
C[C@@H]([NH2+]CC(=O)Nc1sccc1C#N)c1cccc(-n2cc[nH+]c2)c1	ZINC000180647220	496085379	/nfs/dbraw/zinc/08/53/79/496085379.db2.gz	PMICWFYRMBSCIW-CYBMUJFWSA-N	2	2	351.435	3.095	10	30		FGEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(C#N)cc1Br	ZINC000181136689	496282987	/nfs/dbraw/zinc/28/29/87/496282987.db2.gz	VNUVPYCYQIDHQX-INIZCTEOSA-N	2	2	359.271	3.490	10	30		FGEELP
Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C#N)cc1Br	ZINC000181136689	496282994	/nfs/dbraw/zinc/28/29/94/496282994.db2.gz	VNUVPYCYQIDHQX-INIZCTEOSA-N	2	2	359.271	3.490	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1	ZINC000195267190	496869806	/nfs/dbraw/zinc/86/98/06/496869806.db2.gz	OLYQJIDKGGHMKM-SFHVURJKSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1	ZINC000195267190	496869813	/nfs/dbraw/zinc/86/98/13/496869813.db2.gz	OLYQJIDKGGHMKM-SFHVURJKSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC000195267190	496869819	/nfs/dbraw/zinc/86/98/19/496869819.db2.gz	OLYQJIDKGGHMKM-SFHVURJKSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1	ZINC000195267190	496869825	/nfs/dbraw/zinc/86/98/25/496869825.db2.gz	OLYQJIDKGGHMKM-SFHVURJKSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1	ZINC000195268334	496869282	/nfs/dbraw/zinc/86/92/82/496869282.db2.gz	QXKWWYUCWQQUTE-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(C#N)cc2)C1	ZINC000195268334	496869287	/nfs/dbraw/zinc/86/92/87/496869287.db2.gz	QXKWWYUCWQQUTE-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C#N)cc2)C1	ZINC000195268334	496869292	/nfs/dbraw/zinc/86/92/92/496869292.db2.gz	QXKWWYUCWQQUTE-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C#N)cc2)C1	ZINC000195268334	496869298	/nfs/dbraw/zinc/86/92/98/496869298.db2.gz	QXKWWYUCWQQUTE-SFHVURJKSA-N	2	2	370.522	3.156	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173698482	495653465	/nfs/dbraw/zinc/65/34/65/495653465.db2.gz	SFKBNLGAECXXNH-QGZVFWFLSA-N	2	2	362.437	3.204	10	30		FGEELP
CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(C#N)cc3)o2)C1	ZINC000173698482	495653468	/nfs/dbraw/zinc/65/34/68/495653468.db2.gz	SFKBNLGAECXXNH-QGZVFWFLSA-N	2	2	362.437	3.204	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261027	496866512	/nfs/dbraw/zinc/86/65/12/496866512.db2.gz	MNLWCPFWLDTXRQ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261027	496866516	/nfs/dbraw/zinc/86/65/16/496866516.db2.gz	MNLWCPFWLDTXRQ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261027	496866520	/nfs/dbraw/zinc/86/65/20/496866520.db2.gz	MNLWCPFWLDTXRQ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)c(C#N)c2)C1	ZINC000195261027	496866524	/nfs/dbraw/zinc/86/65/24/496866524.db2.gz	MNLWCPFWLDTXRQ-INIZCTEOSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262559	496866748	/nfs/dbraw/zinc/86/67/48/496866748.db2.gz	JKPJOJROQZFKSI-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262559	496866754	/nfs/dbraw/zinc/86/67/54/496866754.db2.gz	JKPJOJROQZFKSI-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262559	496866758	/nfs/dbraw/zinc/86/67/58/496866758.db2.gz	JKPJOJROQZFKSI-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C#N)c(F)c2)C1	ZINC000195262559	496866763	/nfs/dbraw/zinc/86/67/63/496866763.db2.gz	JKPJOJROQZFKSI-MRXNPFEDSA-N	2	2	358.486	3.416	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000106216826	495434313	/nfs/dbraw/zinc/43/43/13/495434313.db2.gz	XXVKCTSMIQWAPH-IBGZPJMESA-N	2	2	365.481	3.029	10	30		FGEELP
CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(CCC#N)c2ccccc2)C1	ZINC000106216826	495434316	/nfs/dbraw/zinc/43/43/16/495434316.db2.gz	XXVKCTSMIQWAPH-IBGZPJMESA-N	2	2	365.481	3.029	10	30		FGEELP
CC[NH+]1CCN(Cc2ccccc2CNc2cc(C)[nH+]c(C)c2C#N)CC1	ZINC000301800882	498271032	/nfs/dbraw/zinc/27/10/32/498271032.db2.gz	VYAOUGHKHFHGTN-UHFFFAOYSA-N	2	2	363.509	3.320	10	30		FGEELP
C=CCn1c(C)cc(C(=O)C[N@@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C	ZINC000171644724	495963642	/nfs/dbraw/zinc/96/36/42/495963642.db2.gz	HTXWBKWBFLFDIM-SFHVURJKSA-N	2	2	352.482	3.303	10	30		FGEELP
C=CCn1c(C)cc(C(=O)C[N@H+]2CC[C@@H](CNc3cccc[nH+]3)C2)c1C	ZINC000171644724	495963646	/nfs/dbraw/zinc/96/36/46/495963646.db2.gz	HTXWBKWBFLFDIM-SFHVURJKSA-N	2	2	352.482	3.303	10	30		FGEELP
C[N@H+](Cc1ccc(Cl)cc1C#N)C1CC[NH+](CCn2cccn2)CC1	ZINC000186975453	496235596	/nfs/dbraw/zinc/23/55/96/496235596.db2.gz	PPXBIKOAJRHUGZ-UHFFFAOYSA-N	2	2	357.889	3.005	10	30		FGEELP
C[N@@H+](Cc1ccc(Cl)cc1C#N)C1CC[NH+](CCn2cccn2)CC1	ZINC000186975453	496235604	/nfs/dbraw/zinc/23/56/04/496235604.db2.gz	PPXBIKOAJRHUGZ-UHFFFAOYSA-N	2	2	357.889	3.005	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1	ZINC000195267203	496868914	/nfs/dbraw/zinc/86/89/14/496868914.db2.gz	OLYQJIDKGGHMKM-GOSISDBHSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CC[NH+](CC#Cc2ccc(F)cc2)C1	ZINC000195267203	496868918	/nfs/dbraw/zinc/86/89/18/496868918.db2.gz	OLYQJIDKGGHMKM-GOSISDBHSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@H+](CC#Cc2ccc(F)cc2)C1	ZINC000195267203	496868921	/nfs/dbraw/zinc/86/89/21/496868921.db2.gz	OLYQJIDKGGHMKM-GOSISDBHSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[NH+](C)C[C@H]1CC[N@@H+](CC#Cc2ccc(F)cc2)C1	ZINC000195267203	496868926	/nfs/dbraw/zinc/86/89/26/496868926.db2.gz	OLYQJIDKGGHMKM-GOSISDBHSA-N	2	2	357.498	3.396	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000328627088	498881490	/nfs/dbraw/zinc/88/14/90/498881490.db2.gz	FUVJNXKXDNUPAY-INIZCTEOSA-N	2	2	355.511	3.293	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000328627088	498881492	/nfs/dbraw/zinc/88/14/92/498881492.db2.gz	FUVJNXKXDNUPAY-INIZCTEOSA-N	2	2	355.511	3.293	10	30		FGEELP
COc1ccc(C#N)cc1C[N@@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195260048	496864992	/nfs/dbraw/zinc/86/49/92/496864992.db2.gz	FSDWKLRFFZPYDI-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[N@H+]1CC[C@H](C[NH+](C)Cc2scnc2C)C1	ZINC000195260048	496864995	/nfs/dbraw/zinc/86/49/95/496864995.db2.gz	FSDWKLRFFZPYDI-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[NH+]1CC[C@H](C[N@H+](C)Cc2scnc2C)C1	ZINC000195260048	496864997	/nfs/dbraw/zinc/86/49/97/496864997.db2.gz	FSDWKLRFFZPYDI-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
COc1ccc(C#N)cc1C[NH+]1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1	ZINC000195260048	496864999	/nfs/dbraw/zinc/86/49/99/496864999.db2.gz	FSDWKLRFFZPYDI-QGZVFWFLSA-N	2	2	370.522	3.286	10	30		FGEELP
Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000328627089	498881830	/nfs/dbraw/zinc/88/18/30/498881830.db2.gz	FUVJNXKXDNUPAY-MRXNPFEDSA-N	2	2	355.511	3.293	10	30		FGEELP
Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(c2cc(C)[nH+]c(C)c2C#N)C1	ZINC000328627089	498881832	/nfs/dbraw/zinc/88/18/32/498881832.db2.gz	FUVJNXKXDNUPAY-MRXNPFEDSA-N	2	2	355.511	3.293	10	30		FGEELP