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(C)C[N@@H+](CC)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000011839513	845837925	/nfs/dbraw/zinc/83/79/25/845837925.db2.gz	SOASHMQXMKLWHT-QFIPXVFZSA-N	2	0	404.595	4.099	50	30		HIEARP
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@H](O)c1cc[n+](Cc2ccccc2)c2ccc(OC)cc12	ZINC000034064560	121241001	/nfs/dbraw/zinc/24/10/01/121241001.db2.gz	OEVKPBVITQHUKQ-YXVKNGOVSA-N	2	0	415.557	4.114	50	30		HIEARP
C[n+]1cccc([C@H]2CCCC[N@+]2(C)CC#CCC2(O)c3ccccc3-c3ccccc32)c1	ZINC000245309803	569055703	/nfs/dbraw/zinc/05/57/03/569055703.db2.gz	GKZNKWCBZHJMBQ-GRKNLSHJSA-N	2	0	424.588	4.493	50	30		HIEARP
C=C(C)CN(CC)C(=O)C1CC[NH+](C2CC[NH+](CCCc3ccccc3)CC2)CC1	ZINC000015069950	846005414	/nfs/dbraw/zinc/00/54/14/846005414.db2.gz	NASWBBPKMNRSCM-UHFFFAOYSA-N	2	0	411.634	4.220	50	30		HIEARP
C[n+]1cccc([C@@H]2CCCC[N@+]2(C)CC#CCC2(O)c3ccccc3-c3ccccc32)c1	ZINC000245309963	569055632	/nfs/dbraw/zinc/05/56/32/569055632.db2.gz	GKZNKWCBZHJMBQ-QCENPCRXSA-N	2	0	424.588	4.493	50	30		HIEARP
C[NH+]1CCC(C[N@H+](CCc2ccccc2)Cc2ccc(C#CC(C)(C)O)cc2)CC1	ZINC000012303836	568994296	/nfs/dbraw/zinc/99/42/96/568994296.db2.gz	JLLBMGGGJCNDDD-UHFFFAOYSA-N	2	0	404.598	4.196	50	30		HIEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC[C@@H](O)C[NH+]2CCCC2)c(OC)c1	ZINC000011769680	845831879	/nfs/dbraw/zinc/83/18/79/845831879.db2.gz	DTVSMZPASBZQPR-QFIPXVFZSA-N	2	0	414.590	4.018	50	30		HIEARP
OCCC#Cc1ccc(C[N@H+](C[C@@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012714157	568917880	/nfs/dbraw/zinc/91/78/80/568917880.db2.gz	MOTSZMGZKQPYPF-MHZLTWQESA-N	2	0	424.629	4.056	50	30		HIEARP
OCCC#Cc1ccc(C[N@H+](C[C@H]2CCCO2)CC2CC[NH+](C3CCCC3)CC2)cc1	ZINC000012714161	568917974	/nfs/dbraw/zinc/91/79/74/568917974.db2.gz	MOTSZMGZKQPYPF-HHHXNRCGSA-N	2	0	424.629	4.056	50	30		HIEARP
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000055227616	523204546	/nfs/dbraw/zinc/20/45/46/523204546.db2.gz	ZBQLSELVYPUMKR-VWLOTQADSA-N	2	0	422.588	4.335	50	30		HIEARP
C=C(C)CC[C@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012471448	845873303	/nfs/dbraw/zinc/87/33/03/845873303.db2.gz	JFQKJKBCOZBVJX-SFHVURJKSA-N	2	0	422.013	4.219	50	30		HIEARP
C=CCOc1ccccc1C[N@@H+](Cc1ccncc1)CC1CC[NH+](CCOC)CC1	ZINC000012306731	568993997	/nfs/dbraw/zinc/99/39/97/568993997.db2.gz	UAWYRCWCHYTAMF-UHFFFAOYSA-N	2	0	409.574	4.007	50	30		HIEARP
C=C(C)C[N@@H+](CC)Cc1ccc(OC[C@H](O)C[NH+]2CCCCCCC2)c(OC)c1	ZINC000011839515	845838297	/nfs/dbraw/zinc/83/82/97/845838297.db2.gz	SOASHMQXMKLWHT-JOCHJYFZSA-N	2	0	404.595	4.099	50	30		HIEARP
C=C(C)CC[C@@H](C)[NH+]1CCC(Oc2ccc(C(=O)NCC[NH+](C)C)cc2Cl)CC1	ZINC000012471462	845873701	/nfs/dbraw/zinc/87/37/01/845873701.db2.gz	JFQKJKBCOZBVJX-GOSISDBHSA-N	2	0	422.013	4.219	50	30		HIEARP
C[n+]1cccc([C@H]2CCCC[N@@+]2(C)CC#CCC2(O)c3ccccc3-c3ccccc32)c1	ZINC000245309808	569055650	/nfs/dbraw/zinc/05/56/50/569055650.db2.gz	GKZNKWCBZHJMBQ-MVSFAKPFSA-N	2	0	424.588	4.493	50	30		HIEARP
C[n+]1cccc([C@@H]2CCCC[N@@+]2(C)CC#CCC2(O)c3ccccc3-c3ccccc32)c1	ZINC000245309806	569055709	/nfs/dbraw/zinc/05/57/09/569055709.db2.gz	GKZNKWCBZHJMBQ-IZEXYCQBSA-N	2	0	424.588	4.493	50	30		HIEARP
C#Cc1ccc(C[N@H+](CCOC)CC2CC[NH+](Cc3ccccc3OC)CC2)cc1	ZINC000011754157	845830998	/nfs/dbraw/zinc/83/09/98/845830998.db2.gz	ZWYSTBZNFMPVTG-UHFFFAOYSA-N	2	0	406.570	4.037	50	30		HIEARP
C/C(=N/c1ccccc1/C(NCCC[NH+](C)C)=[NH+]/CCC[NH+](C)C)c1ccccc1	ZINC000005494453	557657457	/nfs/dbraw/zinc/65/74/57/557657457.db2.gz	ZNLZSEFTDSKMPT-HFTWOUSFSA-N	3	0	407.606	4.067	50	30		HIEARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(C#CC(C)(C)O)s3)CC2)o1	ZINC000012454657	845872094	/nfs/dbraw/zinc/87/20/94/845872094.db2.gz	SNMVDMXSLWXSLG-UHFFFAOYSA-N	2	0	400.588	4.116	50	30		HIEARP
C=CCn1c(SCC[NH+]2CCCCCC2)nnc1C1CC[NH+](CC(C)C)CC1	ZINC000299775790	558841579	/nfs/dbraw/zinc/84/15/79/558841579.db2.gz	KMESVKKAEWMHCO-UHFFFAOYSA-N	2	0	405.656	4.268	50	30		HIEARP
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)CC1CC[NH+](CCc2cccc(F)c2)CC1	ZINC000012073149	568993105	/nfs/dbraw/zinc/99/31/05/568993105.db2.gz	MHVWFJXSYHQJNI-UHFFFAOYSA-N	2	0	422.588	4.335	50	30		HIEARP
Cc1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccc(C#Cc4cncnc4)cc3)CC2)o1	ZINC000012591978	568995368	/nfs/dbraw/zinc/99/53/68/568995368.db2.gz	SWRNIBNRLKRRPO-UHFFFAOYSA-N	2	0	414.553	4.122	50	30		HIEARP
C[N@@H+](Cc1c[nH]c(C#N)c1)CC1CC[NH+](CCc2cccc(C(F)(F)F)c2)CC1	ZINC000095509781	568635367	/nfs/dbraw/zinc/63/53/67/568635367.db2.gz	VDAYAGUDQWNDRY-UHFFFAOYSA-N	2	0	404.480	4.292	50	30		HIEARP
C=CCC1(CC=C)CCC[N@H+]1Cc1ccc(OC[C@H](O)C[NH+]2CCCC2)c(OC)c1	ZINC000011769674	845832060	/nfs/dbraw/zinc/83/20/60/845832060.db2.gz	DTVSMZPASBZQPR-JOCHJYFZSA-N	2	0	414.590	4.018	50	30		HIEARP
CN(CCC#N)c1ccc(/C=[NH+]/CCC/[NH+]=C\c2ccc(N(C)CCC#N)cc2)cc1	ZINC000005208395	557640120	/nfs/dbraw/zinc/64/01/20/557640120.db2.gz	ZYKAGBUXMDZRMU-QFYPEMSYSA-N	2	0	414.557	4.314	50	30		HIEARP
C[N@@H+](Cc1ccc(C#CC(C)(C)O)cc1)C[C@H]1CCC[NH+](CCc2ccc(F)cc2)C1	ZINC000055227620	523204359	/nfs/dbraw/zinc/20/43/59/523204359.db2.gz	ZBQLSELVYPUMKR-RUZDIDTESA-N	2	0	422.588	4.335	50	30		HIEARP