smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N/C(CCC[NH+]1CCC(O)CC1)=[NH+]\O	ZINC000019435726	181182071	/nfs/dbraw/zinc/18/20/71/181182071.db2.gz	VBOREKOJIIYMBX-UHFFFAOYSA-N	2	2	201.270	-0.030	10	30		BBEELP
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH3+])C[NH2+]1	ZINC000028520623	181058229	/nfs/dbraw/zinc/05/82/29/181058229.db2.gz	NLDRGYMMSSECLT-CIUDSAMLSA-N	2	2	208.265	-0.810	10	30		BBEELP
C#CCNC(=O)[C@H](C)[N@@H+](C)C1CC[NH2+]CC1	ZINC000036301695	166183643	/nfs/dbraw/zinc/18/36/43/166183643.db2.gz	IDSKNPCIXTVPIR-JTQLQIEISA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CCNC(=O)[C@H](C)[N@H+](C)C1CC[NH2+]CC1	ZINC000036301695	166183641	/nfs/dbraw/zinc/18/36/41/166183641.db2.gz	IDSKNPCIXTVPIR-JTQLQIEISA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CCNC(=O)[C@@H](C)[N@@H+](C)C1CC[NH2+]CC1	ZINC000036301697	166180673	/nfs/dbraw/zinc/18/06/73/166180673.db2.gz	IDSKNPCIXTVPIR-SNVBAGLBSA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CCNC(=O)[C@@H](C)[N@H+](C)C1CC[NH2+]CC1	ZINC000036301697	166180669	/nfs/dbraw/zinc/18/06/69/166180669.db2.gz	IDSKNPCIXTVPIR-SNVBAGLBSA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CC[NH2+]C1CC[NH+](CC(=O)N(C)C)CC1	ZINC000037184835	166188095	/nfs/dbraw/zinc/18/80/95/166188095.db2.gz	BPKCDYLAJCBLCE-UHFFFAOYSA-N	2	2	223.320	-0.238	10	30		BBEELP
C#CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C)CC1	ZINC000037267348	188151944	/nfs/dbraw/zinc/15/19/44/188151944.db2.gz	QWPRCDNEXHJQTM-JTQLQIEISA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C)CC1	ZINC000037267350	166183210	/nfs/dbraw/zinc/18/32/10/166183210.db2.gz	QWPRCDNEXHJQTM-SNVBAGLBSA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1	ZINC000037822758	188326158	/nfs/dbraw/zinc/32/61/58/188326158.db2.gz	VAUNPGOFQKVQCQ-GFCCVEGCSA-N	2	2	235.331	-0.237	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@H]([NH3+])C(C)C)CC1	ZINC000037822765	188326546	/nfs/dbraw/zinc/32/65/46/188326546.db2.gz	QQXHJLABJDBLOE-LLVKDONJSA-N	2	2	223.320	-0.253	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)CCC[NH3+])CC1	ZINC000037822795	188108626	/nfs/dbraw/zinc/10/86/26/188108626.db2.gz	YHZFDLZDPNJKOM-UHFFFAOYSA-N	2	2	209.293	-0.497	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CC)CC1	ZINC000037822808	188108621	/nfs/dbraw/zinc/10/86/21/188108621.db2.gz	WQBLSSVGVOKMPT-JTQLQIEISA-N	2	2	209.293	-0.499	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@H]([NH3+])CC)CC1	ZINC000037822809	188152635	/nfs/dbraw/zinc/15/26/35/188152635.db2.gz	WQBLSSVGVOKMPT-SNVBAGLBSA-N	2	2	209.293	-0.499	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)C[C@H](C)[NH3+])CC1	ZINC000037822814	187254423	/nfs/dbraw/zinc/25/44/23/187254423.db2.gz	IIAVHKKXXSZKLP-JTQLQIEISA-N	2	2	209.293	-0.499	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@@H]2CSC[NH2+]2)CC1	ZINC000040490846	166354914	/nfs/dbraw/zinc/35/49/14/166354914.db2.gz	ZBMLZEIGVXFRDQ-JTQLQIEISA-N	2	2	241.360	-0.021	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1	ZINC000040490847	166356873	/nfs/dbraw/zinc/35/68/73/166356873.db2.gz	ZBMLZEIGVXFRDQ-SNVBAGLBSA-N	2	2	241.360	-0.021	10	30		BBEELP
C#CC[NH+]1CCC([NH2+][C@H](C)C(=O)NC)CC1	ZINC000042561983	188216710	/nfs/dbraw/zinc/21/67/10/188216710.db2.gz	CJPQLXLLARFEGB-SNVBAGLBSA-N	2	2	223.320	-0.192	10	30		BBEELP
C#CCNC(=O)[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1	ZINC000049235481	187357169	/nfs/dbraw/zinc/35/71/69/187357169.db2.gz	DRDZBFJNCLPFKV-MNOVXSKESA-N	2	2	234.303	-0.001	10	30		BBEELP
[NH3+]CC#Cc1ccccc1C[N@H+]1CCNC(=O)C1	ZINC000049608689	181346266	/nfs/dbraw/zinc/34/62/66/181346266.db2.gz	PLPSCHZMPPFOGZ-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
[NH3+]CC#Cc1ccccc1C[N@@H+]1CCNC(=O)C1	ZINC000049608689	181346265	/nfs/dbraw/zinc/34/62/65/181346265.db2.gz	PLPSCHZMPPFOGZ-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
[NH3+]CC#Cc1ccc(C[N@H+]2CCNC(=O)C2)cc1	ZINC000049608690	181346074	/nfs/dbraw/zinc/34/60/74/181346074.db2.gz	IVQVZTUHOUGNLP-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
[NH3+]CC#Cc1ccc(C[N@@H+]2CCNC(=O)C2)cc1	ZINC000049608690	181346071	/nfs/dbraw/zinc/34/60/71/181346071.db2.gz	IVQVZTUHOUGNLP-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
[NH3+]CC#Cc1cccc(C[N@H+]2CCNC(=O)C2)c1	ZINC000049608695	181346485	/nfs/dbraw/zinc/34/64/85/181346485.db2.gz	IPXRGXCASICUEH-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
[NH3+]CC#Cc1cccc(C[N@@H+]2CCNC(=O)C2)c1	ZINC000049608695	181346484	/nfs/dbraw/zinc/34/64/84/181346484.db2.gz	IPXRGXCASICUEH-UHFFFAOYSA-N	2	2	243.310	-0.071	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1	ZINC000052809557	166356702	/nfs/dbraw/zinc/35/67/02/166356702.db2.gz	YQCSSZVJQWOQPI-NSHDSACASA-N	2	2	241.335	-0.320	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@H]([NH3+])CCOC)CC1	ZINC000052809558	166355678	/nfs/dbraw/zinc/35/56/78/166355678.db2.gz	YQCSSZVJQWOQPI-LLVKDONJSA-N	2	2	241.335	-0.320	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C)CC1	ZINC000054075466	188174933	/nfs/dbraw/zinc/17/49/33/188174933.db2.gz	KZSIWRZWRAPITI-SNVBAGLBSA-N	2	2	209.293	-0.628	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@H](C)[NH2+]C)CC1	ZINC000054076021	166355370	/nfs/dbraw/zinc/35/53/70/166355370.db2.gz	NFDLGSNLCGLEAF-JTQLQIEISA-N	2	2	211.309	-0.076	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+]C)CC1	ZINC000054076022	166354620	/nfs/dbraw/zinc/35/46/20/166354620.db2.gz	NFDLGSNLCGLEAF-SNVBAGLBSA-N	2	2	211.309	-0.076	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1	ZINC000054341940	188007639	/nfs/dbraw/zinc/00/76/39/188007639.db2.gz	VVLQXBCJSUZCNG-SNVBAGLBSA-N	2	2	209.293	-0.641	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@@H](C)C[NH3+])CC1	ZINC000054343365	166356454	/nfs/dbraw/zinc/35/64/54/166356454.db2.gz	LLGYKYDBNOBWTD-JTQLQIEISA-N	2	2	211.309	-0.089	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@H](C)C[NH3+])CC1	ZINC000054343368	166357107	/nfs/dbraw/zinc/35/71/07/166357107.db2.gz	LLGYKYDBNOBWTD-SNVBAGLBSA-N	2	2	211.309	-0.089	10	30		BBEELP
C#CC[NH+]1CCN(C(=O)C(C)(C)[NH2+]C)CC1	ZINC000061317628	188223170	/nfs/dbraw/zinc/22/31/70/188223170.db2.gz	BRYAFWZASGOIND-UHFFFAOYSA-N	2	2	223.320	-0.238	10	30		BBEELP
C[N@H+]1CC[C@@](C#N)(N2CCC[NH2+]CC2)C1	ZINC000061990942	173136066	/nfs/dbraw/zinc/13/60/66/173136066.db2.gz	TXZGFYFIVQLASJ-NSHDSACASA-N	2	2	208.309	-0.120	10	30		BBEELP
C[N@@H+]1CC[C@@](C#N)(N2CCC[NH2+]CC2)C1	ZINC000061990942	173136065	/nfs/dbraw/zinc/13/60/65/173136065.db2.gz	TXZGFYFIVQLASJ-NSHDSACASA-N	2	2	208.309	-0.120	10	30		BBEELP
C[N@H+]1CC[C@](C#N)(N2CCC[NH2+]CC2)C1	ZINC000061990943	173162318	/nfs/dbraw/zinc/16/23/18/173162318.db2.gz	TXZGFYFIVQLASJ-LLVKDONJSA-N	2	2	208.309	-0.120	10	30		BBEELP
C[N@@H+]1CC[C@](C#N)(N2CCC[NH2+]CC2)C1	ZINC000061990943	173162317	/nfs/dbraw/zinc/16/23/17/173162317.db2.gz	TXZGFYFIVQLASJ-LLVKDONJSA-N	2	2	208.309	-0.120	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1	ZINC000062115804	166355160	/nfs/dbraw/zinc/35/51/60/166355160.db2.gz	VAMIEQQLDBQXFB-LLVKDONJSA-N	2	2	223.320	-0.074	10	30		BBEELP
C=CC[NH+]1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1	ZINC000062115805	166355578	/nfs/dbraw/zinc/35/55/78/166355578.db2.gz	VAMIEQQLDBQXFB-NSHDSACASA-N	2	2	223.320	-0.074	10	30		BBEELP
C#CC[NH2+]CCN1CCn2cc[nH+]c2C1	ZINC000062326797	166188087	/nfs/dbraw/zinc/18/80/87/166188087.db2.gz	CLNLMTREBUHABJ-UHFFFAOYSA-N	2	2	204.277	-0.079	10	30		BBEELP
C[NH+]1CCN(C(=O)[C@H]([NH3+])CS)CC1	ZINC000075835198	173070464	/nfs/dbraw/zinc/07/04/64/173070464.db2.gz	JTWFGRNPNKNTEK-SSDOTTSWSA-N	2	2	203.311	-0.983	10	30		BBEELP
C[NH+]1CCN(C(=O)[C@@H]([NH3+])CS)CC1	ZINC000075835200	173069449	/nfs/dbraw/zinc/06/94/49/173069449.db2.gz	JTWFGRNPNKNTEK-ZETCQYMHSA-N	2	2	203.311	-0.983	10	30		BBEELP
C#CC[C@H]([NH3+])C(=O)NCCc1c[nH]c[nH+]1	ZINC000083344657	166206301	/nfs/dbraw/zinc/20/63/01/166206301.db2.gz	ZWJDZAJSUJPLES-VIFPVBQESA-N	2	2	206.249	-0.581	10	30		BBEELP
C#CC[C@H]([NH3+])C(=O)NCCc1c[nH+]c[nH]1	ZINC000083344657	166206298	/nfs/dbraw/zinc/20/62/98/166206298.db2.gz	ZWJDZAJSUJPLES-VIFPVBQESA-N	2	2	206.249	-0.581	10	30		BBEELP
C=CC[C@H]([NH3+])C(=O)NCCc1c[nH]c[nH+]1	ZINC000083345447	188270315	/nfs/dbraw/zinc/27/03/15/188270315.db2.gz	OYBINEYJNHIZHY-VIFPVBQESA-N	2	2	208.265	-0.028	10	30		BBEELP
C=CC[C@H]([NH3+])C(=O)NCCc1c[nH+]c[nH]1	ZINC000083345447	188270314	/nfs/dbraw/zinc/27/03/14/188270314.db2.gz	OYBINEYJNHIZHY-VIFPVBQESA-N	2	2	208.265	-0.028	10	30		BBEELP
C#CC[C@H]([NH3+])C(=O)NCCCn1cc[nH+]c1	ZINC000083350464	166206594	/nfs/dbraw/zinc/20/65/94/166206594.db2.gz	SMTTYXZJJHQIGB-JTQLQIEISA-N	2	2	220.276	-0.260	10	30		BBEELP
C=CC[C@H]([NH3+])C(=O)NCC[NH+]1CCOCC1	ZINC000083355517	188270638	/nfs/dbraw/zinc/27/06/38/188270638.db2.gz	BKECFUFWLAPVBY-JTQLQIEISA-N	2	2	227.308	-0.662	10	30		BBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)N1CCCC1	ZINC000171412286	134258140	/nfs/dbraw/zinc/25/81/40/134258140.db2.gz	IJFBSQUSALAPFS-LLVKDONJSA-N	2	2	240.351	-0.012	10	30		BBEELP
C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCCC1	ZINC000171412294	134258419	/nfs/dbraw/zinc/25/84/19/134258419.db2.gz	IJFBSQUSALAPFS-NSHDSACASA-N	2	2	240.351	-0.012	10	30		BBEELP
C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCO1)NC1CC1	ZINC000171412302	536304148	/nfs/dbraw/zinc/30/41/48/536304148.db2.gz	NTWPLXUXCGXIFZ-SNVBAGLBSA-N	2	2	226.324	-0.356	10	30		BBEELP
C[NH+]=C(NC[C@@H]1C[N@H+](C)CCO1)NC1CC1	ZINC000171412302	536304146	/nfs/dbraw/zinc/30/41/46/536304146.db2.gz	NTWPLXUXCGXIFZ-SNVBAGLBSA-N	2	2	226.324	-0.356	10	30		BBEELP
C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)NC1CC1	ZINC000171412308	536304365	/nfs/dbraw/zinc/30/43/65/536304365.db2.gz	NTWPLXUXCGXIFZ-JTQLQIEISA-N	2	2	226.324	-0.356	10	30		BBEELP
C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)NC1CC1	ZINC000171412308	536304363	/nfs/dbraw/zinc/30/43/63/536304363.db2.gz	NTWPLXUXCGXIFZ-JTQLQIEISA-N	2	2	226.324	-0.356	10	30		BBEELP
C[N@H+]1CCN(c2cccc(NC(N)=[NH2+])c2)C(=O)C1	ZINC000201336573	369386399	/nfs/dbraw/zinc/38/63/99/369386399.db2.gz	AKDQOLAUFGKILT-UHFFFAOYSA-N	2	2	247.302	-0.130	10	30		BBEELP
C[N@@H+]1CCN(c2cccc(NC(N)=[NH2+])c2)C(=O)C1	ZINC000201336573	369386394	/nfs/dbraw/zinc/38/63/94/369386394.db2.gz	AKDQOLAUFGKILT-UHFFFAOYSA-N	2	2	247.302	-0.130	10	30		BBEELP
CNC(NCC[NH+]1CCSCC1)=[NH+]N	ZINC000230951822	388377191	/nfs/dbraw/zinc/37/71/91/388377191.db2.gz	OCIYLRQELQSEFM-UHFFFAOYSA-N	2	2	217.342	-0.926	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+](C)CCO2)N1	ZINC000261536315	135171319	/nfs/dbraw/zinc/17/13/19/135171319.db2.gz	RFTXGCZPWYFAID-BDAKNGLRSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+](C)CCO2)N1	ZINC000261536315	135171317	/nfs/dbraw/zinc/17/13/17/135171317.db2.gz	RFTXGCZPWYFAID-BDAKNGLRSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](C)CCO2)N1	ZINC000261536316	135171250	/nfs/dbraw/zinc/17/12/50/135171250.db2.gz	RFTXGCZPWYFAID-DTWKUNHWSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)CCO2)N1	ZINC000261536316	135171249	/nfs/dbraw/zinc/17/12/49/135171249.db2.gz	RFTXGCZPWYFAID-DTWKUNHWSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@H]2C[N@@H+](C)CCO2)N1	ZINC000261536317	135171644	/nfs/dbraw/zinc/17/16/44/135171644.db2.gz	RFTXGCZPWYFAID-IUCAKERBSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@H]2C[N@H+](C)CCO2)N1	ZINC000261536317	135171642	/nfs/dbraw/zinc/17/16/42/135171642.db2.gz	RFTXGCZPWYFAID-IUCAKERBSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](C)CCO2)N1	ZINC000261536318	135171277	/nfs/dbraw/zinc/17/12/77/135171277.db2.gz	RFTXGCZPWYFAID-RKDXNWHRSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C)CCO2)N1	ZINC000261536318	135171274	/nfs/dbraw/zinc/17/12/74/135171274.db2.gz	RFTXGCZPWYFAID-RKDXNWHRSA-N	2	2	212.297	-0.746	10	30		BBEELP
C[C@@H]1CN(C(=[NH2+])NCc2c[nH+]cn2C)CCO1	ZINC000262396842	135298874	/nfs/dbraw/zinc/29/88/74/135298874.db2.gz	TWVGHMOFRLKWFI-SECBINFHSA-N	2	2	237.307	-0.045	10	30		BBEELP
C[C@H]1CN(C(=[NH2+])NCc2c[nH+]cn2C)CCO1	ZINC000262396843	135298257	/nfs/dbraw/zinc/29/82/57/135298257.db2.gz	TWVGHMOFRLKWFI-VIFPVBQESA-N	2	2	237.307	-0.045	10	30		BBEELP
CN/C(=[NH+]/C)N1CC[C@H]([NH+]2CCOCC2)C1	ZINC000262486470	135301713	/nfs/dbraw/zinc/30/17/13/135301713.db2.gz	SRTIVNRWBIQSIG-JTQLQIEISA-N	2	2	226.324	-0.402	10	30		BBEELP
CN/C(=[NH+]/C)N1CC[C@@H]([NH+]2CCOCC2)C1	ZINC000262486471	135301486	/nfs/dbraw/zinc/30/14/86/135301486.db2.gz	SRTIVNRWBIQSIG-SNVBAGLBSA-N	2	2	226.324	-0.402	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C3CC3)CCO2)N1	ZINC000262683110	135313327	/nfs/dbraw/zinc/31/33/27/135313327.db2.gz	BVHXOXKRPLXBKZ-GXSJLCMTSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](C3CC3)CCO2)N1	ZINC000262683110	135313326	/nfs/dbraw/zinc/31/33/26/135313326.db2.gz	BVHXOXKRPLXBKZ-GXSJLCMTSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@H]2C[N@H+](C3CC3)CCO2)N1	ZINC000262683111	135313038	/nfs/dbraw/zinc/31/30/38/135313038.db2.gz	BVHXOXKRPLXBKZ-KOLCDFICSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@H]2C[N@@H+](C3CC3)CCO2)N1	ZINC000262683111	135313036	/nfs/dbraw/zinc/31/30/36/135313036.db2.gz	BVHXOXKRPLXBKZ-KOLCDFICSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@H+](C3CC3)CCO2)N1	ZINC000262683112	135312879	/nfs/dbraw/zinc/31/28/79/135312879.db2.gz	BVHXOXKRPLXBKZ-MWLCHTKSSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@@H]1C[NH+]=C(NC[C@@H]2C[N@@H+](C3CC3)CCO2)N1	ZINC000262683112	135312878	/nfs/dbraw/zinc/31/28/78/135312878.db2.gz	BVHXOXKRPLXBKZ-MWLCHTKSSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@H]2C[N@H+](C3CC3)CCO2)N1	ZINC000262683113	135313063	/nfs/dbraw/zinc/31/30/63/135313063.db2.gz	BVHXOXKRPLXBKZ-ONGXEEELSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[C@H]1C[NH+]=C(NC[C@H]2C[N@@H+](C3CC3)CCO2)N1	ZINC000262683113	135313061	/nfs/dbraw/zinc/31/30/61/135313061.db2.gz	BVHXOXKRPLXBKZ-ONGXEEELSA-N	2	2	238.335	-0.213	10	30		BBEELP
C[NH+]=C(NCC1CC1)NC[C@@H]1C[N@@H+](C)CCO1	ZINC000262713012	135314360	/nfs/dbraw/zinc/31/43/60/135314360.db2.gz	CZAIRPAIHUBDGP-LLVKDONJSA-N	2	2	240.351	-0.108	10	30		BBEELP
C[NH+]=C(NCC1CC1)NC[C@@H]1C[N@H+](C)CCO1	ZINC000262713012	135314358	/nfs/dbraw/zinc/31/43/58/135314358.db2.gz	CZAIRPAIHUBDGP-LLVKDONJSA-N	2	2	240.351	-0.108	10	30		BBEELP
C[NH+]=C(NCC1CC1)NC[C@H]1C[N@@H+](C)CCO1	ZINC000262713013	135121703	/nfs/dbraw/zinc/12/17/03/135121703.db2.gz	CZAIRPAIHUBDGP-NSHDSACASA-N	2	2	240.351	-0.108	10	30		BBEELP
C[NH+]=C(NCC1CC1)NC[C@H]1C[N@H+](C)CCO1	ZINC000262713013	135121702	/nfs/dbraw/zinc/12/17/02/135121702.db2.gz	CZAIRPAIHUBDGP-NSHDSACASA-N	2	2	240.351	-0.108	10	30		BBEELP
[NH2+]=C(NC[C@@H]1C[N@H+](C2CC2)CCO1)N1CCC1	ZINC000263169509	135336992	/nfs/dbraw/zinc/33/69/92/135336992.db2.gz	RVGWSVPYTCBRED-LLVKDONJSA-N	2	2	238.335	-0.130	10	30		BBEELP
[NH2+]=C(NC[C@@H]1C[N@@H+](C2CC2)CCO1)N1CCC1	ZINC000263169509	135336990	/nfs/dbraw/zinc/33/69/90/135336990.db2.gz	RVGWSVPYTCBRED-LLVKDONJSA-N	2	2	238.335	-0.130	10	30		BBEELP
[NH2+]=C(NC[C@H]1C[N@H+](C2CC2)CCO1)N1CCC1	ZINC000263169511	135337215	/nfs/dbraw/zinc/33/72/15/135337215.db2.gz	RVGWSVPYTCBRED-NSHDSACASA-N	2	2	238.335	-0.130	10	30		BBEELP
[NH2+]=C(NC[C@H]1C[N@@H+](C2CC2)CCO1)N1CCC1	ZINC000263169511	135337214	/nfs/dbraw/zinc/33/72/14/135337214.db2.gz	RVGWSVPYTCBRED-NSHDSACASA-N	2	2	238.335	-0.130	10	30		BBEELP
C#CC[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1	ZINC000302234351	533157804	/nfs/dbraw/zinc/15/78/04/533157804.db2.gz	UDDUTCJBQPRMEA-UHFFFAOYSA-N	2	2	244.298	-0.064	10	30		BBEELP
CCNC(NC[C@H]1C[N@@H+](C)CCO1)=[NH+]CC	ZINC000303367229	643580478	/nfs/dbraw/zinc/58/04/78/643580478.db2.gz	HXPDJLSRNYGTEN-JTQLQIEISA-N	2	2	228.340	-0.108	10	30		BBEELP
CCNC(NC[C@H]1C[N@H+](C)CCO1)=[NH+]CC	ZINC000303367229	643580473	/nfs/dbraw/zinc/58/04/73/643580473.db2.gz	HXPDJLSRNYGTEN-JTQLQIEISA-N	2	2	228.340	-0.108	10	30		BBEELP
CCNC(NC[C@@H]1C[N@@H+](C)CCO1)=[NH+]CC	ZINC000303367230	644819071	/nfs/dbraw/zinc/81/90/71/644819071.db2.gz	HXPDJLSRNYGTEN-SNVBAGLBSA-N	2	2	228.340	-0.108	10	30		BBEELP
CCNC(NC[C@@H]1C[N@H+](C)CCO1)=[NH+]CC	ZINC000303367230	644819067	/nfs/dbraw/zinc/81/90/67/644819067.db2.gz	HXPDJLSRNYGTEN-SNVBAGLBSA-N	2	2	228.340	-0.108	10	30		BBEELP
CNC(NC[C@@H]1C[N@@H+](C)CCO1)=[NH+]C	ZINC000303392386	134233615	/nfs/dbraw/zinc/23/36/15/134233615.db2.gz	ZENSAKOVMILIHM-MRVPVSSYSA-N	2	2	200.286	-0.888	10	30		BBEELP
CNC(NC[C@@H]1C[N@H+](C)CCO1)=[NH+]C	ZINC000303392386	134233614	/nfs/dbraw/zinc/23/36/14/134233614.db2.gz	ZENSAKOVMILIHM-MRVPVSSYSA-N	2	2	200.286	-0.888	10	30		BBEELP
CNC(NC[C@H]1C[N@@H+](C)CCO1)=[NH+]C	ZINC000303392388	134233632	/nfs/dbraw/zinc/23/36/32/134233632.db2.gz	ZENSAKOVMILIHM-QMMMGPOBSA-N	2	2	200.286	-0.888	10	30		BBEELP
CNC(NC[C@H]1C[N@H+](C)CCO1)=[NH+]C	ZINC000303392388	134233631	/nfs/dbraw/zinc/23/36/31/134233631.db2.gz	ZENSAKOVMILIHM-QMMMGPOBSA-N	2	2	200.286	-0.888	10	30		BBEELP
C[N@H+]1CCN(c2cncc(C#N)n2)[C@@H](C[NH3+])C1	ZINC000401499125	369367344	/nfs/dbraw/zinc/36/73/44/369367344.db2.gz	FZSULITWQFIJDA-JTQLQIEISA-N	2	2	232.291	-0.573	10	30		BBEELP
C[N@@H+]1CCN(c2cncc(C#N)n2)[C@@H](C[NH3+])C1	ZINC000401499125	369367339	/nfs/dbraw/zinc/36/73/39/369367339.db2.gz	FZSULITWQFIJDA-JTQLQIEISA-N	2	2	232.291	-0.573	10	30		BBEELP
C[N@H+]1CCN(c2cncc(C#N)n2)[C@H](C[NH3+])C1	ZINC000401499126	369367091	/nfs/dbraw/zinc/36/70/91/369367091.db2.gz	FZSULITWQFIJDA-SNVBAGLBSA-N	2	2	232.291	-0.573	10	30		BBEELP
C[N@@H+]1CCN(c2cncc(C#N)n2)[C@H](C[NH3+])C1	ZINC000401499126	369367084	/nfs/dbraw/zinc/36/70/84/369367084.db2.gz	FZSULITWQFIJDA-SNVBAGLBSA-N	2	2	232.291	-0.573	10	30		BBEELP
Cc1cc(NC[C@@H]2C[NH2+]C[C@H]2O)c(C#N)c[nH+]1	ZINC000424415734	388697331	/nfs/dbraw/zinc/69/73/31/388697331.db2.gz	UAHCFXQEKSPDAN-CMPLNLGQSA-N	2	2	232.287	-0.324	10	30		BBEELP
Cc1cc(NC[C@@H]2C[NH2+]C[C@@H]2O)c(C#N)c[nH+]1	ZINC000424415735	388696946	/nfs/dbraw/zinc/69/69/46/388696946.db2.gz	UAHCFXQEKSPDAN-JQWIXIFHSA-N	2	2	232.287	-0.324	10	30		BBEELP
Cc1cc(NC[C@H]2C[NH2+]C[C@@H]2O)c(C#N)c[nH+]1	ZINC000424415736	388696940	/nfs/dbraw/zinc/69/69/40/388696940.db2.gz	UAHCFXQEKSPDAN-PWSUYJOCSA-N	2	2	232.287	-0.324	10	30		BBEELP
Cc1cc(NC[C@H]2C[NH2+]C[C@H]2O)c(C#N)c[nH+]1	ZINC000424415737	388697487	/nfs/dbraw/zinc/69/74/87/388697487.db2.gz	UAHCFXQEKSPDAN-ZYHUDNBSSA-N	2	2	232.287	-0.324	10	30		BBEELP