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[NH+]1CCC(NC(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708725	548332671	/nfs/dbraw/zinc/33/26/71/548332671.db2.gz	HVNCZQQSQPGTBH-LJQANCHMSA-N	2	1	371.529	2.195	10	30		FEEEMP
C#CC[NH+]1CCC(C(=O)N2CC[C@@H](C[N@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514133	548326646	/nfs/dbraw/zinc/32/66/46/548326646.db2.gz	YSEBRGLRKLOWQD-KRWDZBQOSA-N	2	1	374.554	2.077	10	30		FEEEMP
C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127854	543204998	/nfs/dbraw/zinc/20/49/98/543204998.db2.gz	LJZXFZGZIOXUIK-XLIONFOSSA-N	2	1	359.514	2.055	10	30		FEEEMP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOCC)[C@@H](CC)C2)CC1	ZINC000117046830	543621485	/nfs/dbraw/zinc/62/14/85/543621485.db2.gz	AWXZJPUGZDNKQO-IBGZPJMESA-N	2	1	366.550	2.169	10	30		FEEEMP
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000261948905	672906147	/nfs/dbraw/zinc/90/61/47/672906147.db2.gz	GSYDGKNPZKYUOT-AVEIZBFRSA-N	2	1	350.551	2.474	10	30		FEEEMP
C=CC[NH+]1CCC(NC(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1	ZINC000190708701	548331937	/nfs/dbraw/zinc/33/19/37/548331937.db2.gz	HVNCZQQSQPGTBH-IBGZPJMESA-N	2	1	371.529	2.195	10	30		FEEEMP
C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603952	549366287	/nfs/dbraw/zinc/36/62/87/549366287.db2.gz	LJZXFZGZIOXUIK-FXAWDEMLSA-N	2	1	359.514	2.055	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCC[N@H+]1C)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000177173582	672380573	/nfs/dbraw/zinc/38/05/73/672380573.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	3	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCC[NH+]1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000177173582	672380575	/nfs/dbraw/zinc/38/05/75/672380575.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	3	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCC[NH+]1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000177173582	672380577	/nfs/dbraw/zinc/38/05/77/672380577.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	3	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCCN1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000177173582	672380579	/nfs/dbraw/zinc/38/05/79/672380579.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	2	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCCN1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000177173582	672380582	/nfs/dbraw/zinc/38/05/82/672380582.db2.gz	LHKOLYWWUBVIQM-BQFCYCMXSA-N	2	1	363.575	2.390	10	30		FEEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000171650773	327151495	/nfs/dbraw/zinc/15/14/95/327151495.db2.gz	AJNVUCCGZUCOBZ-OALUTQOASA-N	2	1	366.465	2.435	10	30		FEEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000171650773	327151497	/nfs/dbraw/zinc/15/14/97/327151497.db2.gz	AJNVUCCGZUCOBZ-OALUTQOASA-N	2	1	366.465	2.435	10	30		FEEEMP
Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000246061259	549042999	/nfs/dbraw/zinc/04/29/99/549042999.db2.gz	AJNVUCCGZUCOBZ-RTBURBONSA-N	2	1	366.465	2.435	10	30		FEEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000246061259	549043001	/nfs/dbraw/zinc/04/30/01/549043001.db2.gz	AJNVUCCGZUCOBZ-RTBURBONSA-N	2	1	366.465	2.435	10	30		FEEEMP
CC[N@H+]1CCC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000194176762	548445576	/nfs/dbraw/zinc/44/55/76/548445576.db2.gz	MUBZETFGWFIVAY-IBGZPJMESA-N	2	1	357.502	2.116	10	30		FEEEMP
C=CCNC(=O)[C@H](C)[N@@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1	ZINC000106127853	543204591	/nfs/dbraw/zinc/20/45/91/543204591.db2.gz	LJZXFZGZIOXUIK-PXNSSMCTSA-N	2	1	359.514	2.055	10	30		FEEEMP
Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000171650775	327151633	/nfs/dbraw/zinc/15/16/33/327151633.db2.gz	AJNVUCCGZUCOBZ-MOPGFXCFSA-N	2	1	366.465	2.435	10	30		FEEEMP
Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000171650775	327151635	/nfs/dbraw/zinc/15/16/35/327151635.db2.gz	AJNVUCCGZUCOBZ-MOPGFXCFSA-N	2	1	366.465	2.435	10	30		FEEEMP
C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173682032	327276158	/nfs/dbraw/zinc/27/61/58/327276158.db2.gz	JGWRMPHGMDLERZ-HNNXBMFYSA-N	2	1	369.469	2.133	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1	ZINC000262780052	672921025	/nfs/dbraw/zinc/92/10/25/672921025.db2.gz	KMJTWZMOXHNKKC-NBOOPKSLSA-N	2	1	364.559	2.457	10	30		FEEEMP
C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C	ZINC000106125771	543204780	/nfs/dbraw/zinc/20/47/80/543204780.db2.gz	XYRCYQNBWDZBCB-QGZVFWFLSA-N	2	1	361.530	2.498	10	30		FEEEMP
C=CCn1c(C)cc(C(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C	ZINC000106125771	543204782	/nfs/dbraw/zinc/20/47/82/543204782.db2.gz	XYRCYQNBWDZBCB-QGZVFWFLSA-N	2	1	361.530	2.498	10	30		FEEEMP
CC[N@H+]1CCC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1	ZINC000194176776	548445436	/nfs/dbraw/zinc/44/54/36/548445436.db2.gz	MUBZETFGWFIVAY-LJQANCHMSA-N	2	1	357.502	2.116	10	30		FEEEMP
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C	ZINC000261953618	672905859	/nfs/dbraw/zinc/90/58/59/672905859.db2.gz	ICGWEQWIEOLEPG-CZUORRHYSA-N	2	1	362.909	2.381	10	30		FEEEMP
C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nnc(-c3ccc(C#N)cc3)o2)CC1	ZINC000173682045	327276132	/nfs/dbraw/zinc/27/61/32/327276132.db2.gz	JGWRMPHGMDLERZ-OAHLLOKOSA-N	2	1	369.469	2.133	10	30		FEEEMP
C=CCNC(=O)[C@@H](C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1	ZINC000247603959	549366222	/nfs/dbraw/zinc/36/62/22/549366222.db2.gz	LJZXFZGZIOXUIK-YLJYHZDGSA-N	2	1	359.514	2.055	10	30		FEEEMP
C[NH+]=C(NC[C@H]1CCC[N@H+]1C)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1	ZINC000246188136	672832540	/nfs/dbraw/zinc/83/25/40/672832540.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	3	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@H]1CCC[NH+]1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000246188136	672832546	/nfs/dbraw/zinc/83/25/46/672832546.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	3	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@H]1CCC[NH+]1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000246188136	672832550	/nfs/dbraw/zinc/83/25/50/672832550.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	2	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@H]1CCCN1C)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1	ZINC000246188136	672832555	/nfs/dbraw/zinc/83/25/55/672832555.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	2	1	363.575	2.390	10	30		FEEEMP
C[NH+]=C(NC[C@H]1CCCN1C)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000246188136	672832559	/nfs/dbraw/zinc/83/25/59/672832559.db2.gz	LHKOLYWWUBVIQM-JZXOWHBKSA-N	2	1	363.575	2.390	10	30		FEEEMP
CCN1CCO[C@@H](CNC(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)[C@@H]1c1ccccc1	ZINC000329124351	553884883	/nfs/dbraw/zinc/88/48/83/553884883.db2.gz	LUIYJHMMLVICRK-VJANTYMQSA-N	2	1	361.486	2.124	10	30		FEEEMP
CC[N@H+]1CCC[C@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593369	540476055	/nfs/dbraw/zinc/47/60/55/540476055.db2.gz	FYQMCGGGZFMYHX-FQEVSTJZSA-N	2	1	369.513	2.260	10	30		FEEEMP
CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593369	540476058	/nfs/dbraw/zinc/47/60/58/540476058.db2.gz	FYQMCGGGZFMYHX-FQEVSTJZSA-N	2	1	369.513	2.260	10	30		FEEEMP
CC[NH+]1CCC[C@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593369	540476061	/nfs/dbraw/zinc/47/60/61/540476061.db2.gz	FYQMCGGGZFMYHX-FQEVSTJZSA-N	2	1	369.513	2.260	10	30		FEEEMP
C#CC[NH+]1CCC(C(=O)N2CC[C@H](C[N@H+](C)Cc3scnc3C)C2)CC1	ZINC000190514158	548326758	/nfs/dbraw/zinc/32/67/58/548326758.db2.gz	YSEBRGLRKLOWQD-QGZVFWFLSA-N	2	1	374.554	2.077	10	30		FEEEMP
C=CCn1c(C)cc(C(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C	ZINC000106125773	543204463	/nfs/dbraw/zinc/20/44/63/543204463.db2.gz	XYRCYQNBWDZBCB-KRWDZBQOSA-N	2	1	361.530	2.498	10	30		FEEEMP
C=CCn1c(C)cc(C(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C	ZINC000106125773	543204466	/nfs/dbraw/zinc/20/44/66/543204466.db2.gz	XYRCYQNBWDZBCB-KRWDZBQOSA-N	2	1	361.530	2.498	10	30		FEEEMP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@@H]1CCC[N@H+]1C	ZINC000262039203	672908486	/nfs/dbraw/zinc/90/84/86/672908486.db2.gz	YAOPPQXFONSAPK-GJZGRUSLSA-N	2	1	359.301	2.286	10	30		FEEEMP
C=C(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCOCC)[C@H](CC)C2)CC1	ZINC000117046828	543621447	/nfs/dbraw/zinc/62/14/47/543621447.db2.gz	AWXZJPUGZDNKQO-LJQANCHMSA-N	2	1	366.550	2.169	10	30		FEEEMP
C[NH+]=C(NCc1cn2cc(Cl)ccc2n1)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000261953619	672906094	/nfs/dbraw/zinc/90/60/94/672906094.db2.gz	ICGWEQWIEOLEPG-XJKSGUPXSA-N	2	1	362.909	2.381	10	30		FEEEMP
COCC[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#CCCO)cc3)C2)C1	ZINC000014964865	210146082	/nfs/dbraw/zinc/14/60/82/210146082.db2.gz	SECMCDFHMMYRBR-JOCHJYFZSA-N	2	1	356.510	2.355	10	30		FEEEMP
COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(C#CCCO)cc3)C2)C1	ZINC000014964865	210146086	/nfs/dbraw/zinc/14/60/86/210146086.db2.gz	SECMCDFHMMYRBR-JOCHJYFZSA-N	2	1	356.510	2.355	10	30		FEEEMP
COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(C#CCCO)cc3)C2)C1	ZINC000014964865	210146089	/nfs/dbraw/zinc/14/60/89/210146089.db2.gz	SECMCDFHMMYRBR-JOCHJYFZSA-N	2	1	356.510	2.355	10	30		FEEEMP
COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(C#CCCO)cc3)C2)C1	ZINC000014964865	210146094	/nfs/dbraw/zinc/14/60/94/210146094.db2.gz	SECMCDFHMMYRBR-JOCHJYFZSA-N	2	1	356.510	2.355	10	30		FEEEMP
CC[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C	ZINC000261948907	672905996	/nfs/dbraw/zinc/90/59/96/672905996.db2.gz	GSYDGKNPZKYUOT-QXDIGNSFSA-N	2	1	350.551	2.474	10	30		FEEEMP
Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000246061250	549043571	/nfs/dbraw/zinc/04/35/71/549043571.db2.gz	AJNVUCCGZUCOBZ-RBUKOAKNSA-N	2	1	366.465	2.435	10	30		FEEEMP
Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)COc3ccc(C#N)cc3)C2)[nH+]1	ZINC000246061250	549043574	/nfs/dbraw/zinc/04/35/74/549043574.db2.gz	AJNVUCCGZUCOBZ-RBUKOAKNSA-N	2	1	366.465	2.435	10	30		FEEEMP
CC[NH+]=C(NC[C@@H]1CCC[N@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261774627	672903099	/nfs/dbraw/zinc/90/30/99/672903099.db2.gz	OMZDCDAXWZZSCH-AWEZNQCLSA-N	2	1	370.339	2.279	10	30		FEEEMP
CC[NH+]=C(NC[C@H]1CCC[N@H+]1C)N(C)Cc1cc(Br)cn1C	ZINC000261774628	672903033	/nfs/dbraw/zinc/90/30/33/672903033.db2.gz	OMZDCDAXWZZSCH-CQSZACIVSA-N	2	1	370.339	2.279	10	30		FEEEMP
CC[N@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593371	540476330	/nfs/dbraw/zinc/47/63/30/540476330.db2.gz	FYQMCGGGZFMYHX-HXUWFJFHSA-N	2	1	369.513	2.260	10	30		FEEEMP
CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593371	540476332	/nfs/dbraw/zinc/47/63/32/540476332.db2.gz	FYQMCGGGZFMYHX-HXUWFJFHSA-N	2	1	369.513	2.260	10	30		FEEEMP
CC[NH+]1CCC[C@@H](NC(=O)N2CCC[N@@H+](Cc3ccc(C#N)cc3)CC2)C1	ZINC000052593371	540476337	/nfs/dbraw/zinc/47/63/37/540476337.db2.gz	FYQMCGGGZFMYHX-HXUWFJFHSA-N	2	1	369.513	2.260	10	30		FEEEMP
C[NH+]=C(NC[C@H](O)c1cc(Cl)cc(Cl)c1)NC[C@H]1CCC[N@H+]1C	ZINC000262039202	672908517	/nfs/dbraw/zinc/90/85/17/672908517.db2.gz	YAOPPQXFONSAPK-CABCVRRESA-N	2	1	359.301	2.286	10	30		FEEEMP
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1	ZINC000262780055	672920826	/nfs/dbraw/zinc/92/08/26/672920826.db2.gz	KMJTWZMOXHNKKC-OVWQWFNUSA-N	2	1	364.559	2.457	10	30		FEEEMP