smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
N#Cc1ccccc1C[N@@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1	ZINC000095385204	564139342	/nfs/dbraw/zinc/13/93/42/564139342.db2.gz	LQGIAQIHJDVJQA-FQEVSTJZSA-N	2	2	334.467	3.934	50	30		EHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@H](c2[nH+]ccn2CC2CCC2)C1	ZINC000095385204	564139343	/nfs/dbraw/zinc/13/93/43/564139343.db2.gz	LQGIAQIHJDVJQA-FQEVSTJZSA-N	2	2	334.467	3.934	50	30		EHEALP
CC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1	ZINC000096493406	564148778	/nfs/dbraw/zinc/14/87/78/564148778.db2.gz	FIWJUHOBJULXRP-GOSISDBHSA-N	2	2	340.496	3.720	50	30		EHEALP
CC[C@H]([NH2+]C1CC[NH+](Cc2ccc(C#N)cc2)CC1)c1nccs1	ZINC000096493405	564148772	/nfs/dbraw/zinc/14/87/72/564148772.db2.gz	FIWJUHOBJULXRP-SFHVURJKSA-N	2	2	340.496	3.720	50	30		EHEALP
C[C@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000047702616	564029658	/nfs/dbraw/zinc/02/96/58/564029658.db2.gz	QCZHCBPCMQOWCB-QGZVFWFLSA-N	2	2	346.434	3.512	50	30		EHEALP
C[C@H](CC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)Cc1ccc(C#N)cc1	ZINC000084637218	564069274	/nfs/dbraw/zinc/06/92/74/564069274.db2.gz	AWXFROAKMFJZPY-GOSISDBHSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)Cc1ccc(C#N)cc1	ZINC000084637218	564069275	/nfs/dbraw/zinc/06/92/75/564069275.db2.gz	AWXFROAKMFJZPY-GOSISDBHSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@H](CC[NH+](C)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000084637218	564069276	/nfs/dbraw/zinc/06/92/76/564069276.db2.gz	AWXFROAKMFJZPY-GOSISDBHSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@H](CC[NH+](C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000084637218	564069277	/nfs/dbraw/zinc/06/92/77/564069277.db2.gz	AWXFROAKMFJZPY-GOSISDBHSA-N	2	2	346.478	3.772	50	30		EHEALP
NC(=[NH+]OCc1ccccc1F)c1ccccc1C[NH+]1CCCCC1	ZINC000060197298	563854351	/nfs/dbraw/zinc/85/43/51/563854351.db2.gz	XZFBZTQSUKDKIO-UHFFFAOYSA-N	2	2	341.430	3.649	50	30		EHEALP
Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CCC2	ZINC000084257795	564067570	/nfs/dbraw/zinc/06/75/70/564067570.db2.gz	PZXYUIIBWGZWSR-SFHVURJKSA-N	2	2	338.455	3.541	50	30		EHEALP
CC[NH+](CC)Cc1cc(C[N@@H+]2CCC[C@@](C)(C#N)C2)ccc1OC	ZINC000670438308	564157469	/nfs/dbraw/zinc/15/74/69/564157469.db2.gz	ISCWVTNTDBGXPM-FQEVSTJZSA-N	2	2	329.488	3.663	50	30		EHEALP
CC[NH+](CC)Cc1cc(C[N@H+]2CCC[C@@](C)(C#N)C2)ccc1OC	ZINC000670438308	564157470	/nfs/dbraw/zinc/15/74/70/564157470.db2.gz	ISCWVTNTDBGXPM-FQEVSTJZSA-N	2	2	329.488	3.663	50	30		EHEALP
N#Cc1ccccc1C[NH+]1CCC(c2[nH+]ccn2CC2CCC2)CC1	ZINC000091664234	218042788	/nfs/dbraw/zinc/04/27/88/218042788.db2.gz	HNBGVZSOGHJFAO-UHFFFAOYSA-N	2	2	334.467	3.934	50	30		EHEALP
C=CCn1cc(C[NH2+]CCCc2[nH]c3ccc(C)c(C)c3[nH+]2)c(C)n1	ZINC000055282962	519280622	/nfs/dbraw/zinc/28/06/22/519280622.db2.gz	HZJPCNWMBNMTMB-UHFFFAOYSA-N	2	2	337.471	3.593	50	30		EHEALP
C=CCn1cc(C[NH2+]CCCc2[nH]c3c(ccc(C)c3C)[nH+]2)c(C)n1	ZINC000055282962	519280626	/nfs/dbraw/zinc/28/06/26/519280626.db2.gz	HZJPCNWMBNMTMB-UHFFFAOYSA-N	2	2	337.471	3.593	50	30		EHEALP
C[C@@H](Cn1cc[nH+]c1)[NH2+]Cc1cccc(OCc2cccc(C#N)c2)c1	ZINC000047702614	564029666	/nfs/dbraw/zinc/02/96/66/564029666.db2.gz	QCZHCBPCMQOWCB-KRWDZBQOSA-N	2	2	346.434	3.512	50	30		EHEALP
COc1ccc(C#N)cc1C[NH2+][C@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000189892033	533269362	/nfs/dbraw/zinc/26/93/62/533269362.db2.gz	LIEWJUHNJAYEED-OAHLLOKOSA-N	2	2	332.407	3.603	50	30		EHEALP
C[C@@H](CC[N@H+](C)Cc1ccc(C#N)cc1)[NH+](C)Cc1ccc(C#N)cc1	ZINC000084637217	564069257	/nfs/dbraw/zinc/06/92/57/564069257.db2.gz	AWXFROAKMFJZPY-SFHVURJKSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@@H](CC[N@@H+](C)Cc1ccc(C#N)cc1)[NH+](C)Cc1ccc(C#N)cc1	ZINC000084637217	564069258	/nfs/dbraw/zinc/06/92/58/564069258.db2.gz	AWXFROAKMFJZPY-SFHVURJKSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@@H](CC[NH+](C)Cc1ccc(C#N)cc1)[N@H+](C)Cc1ccc(C#N)cc1	ZINC000084637217	564069259	/nfs/dbraw/zinc/06/92/59/564069259.db2.gz	AWXFROAKMFJZPY-SFHVURJKSA-N	2	2	346.478	3.772	50	30		EHEALP
C[C@@H](CC[NH+](C)Cc1ccc(C#N)cc1)[N@@H+](C)Cc1ccc(C#N)cc1	ZINC000084637217	564069260	/nfs/dbraw/zinc/06/92/60/564069260.db2.gz	AWXFROAKMFJZPY-SFHVURJKSA-N	2	2	346.478	3.772	50	30		EHEALP
N#Cc1ccccc1C[N@@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1	ZINC000095385205	218316594	/nfs/dbraw/zinc/31/65/94/218316594.db2.gz	LQGIAQIHJDVJQA-HXUWFJFHSA-N	2	2	334.467	3.934	50	30		EHEALP
N#Cc1ccccc1C[N@H+]1CCC[C@@H](c2[nH+]ccn2CC2CCC2)C1	ZINC000095385205	218316597	/nfs/dbraw/zinc/31/65/97/218316597.db2.gz	LQGIAQIHJDVJQA-HXUWFJFHSA-N	2	2	334.467	3.934	50	30		EHEALP
CC[NH+](CC)Cc1cc(C[N@@H+]2CCC[C@](C)(C#N)C2)ccc1OC	ZINC000670438309	564157461	/nfs/dbraw/zinc/15/74/61/564157461.db2.gz	ISCWVTNTDBGXPM-HXUWFJFHSA-N	2	2	329.488	3.663	50	30		EHEALP
CC[NH+](CC)Cc1cc(C[N@H+]2CCC[C@](C)(C#N)C2)ccc1OC	ZINC000670438309	564157462	/nfs/dbraw/zinc/15/74/62/564157462.db2.gz	ISCWVTNTDBGXPM-HXUWFJFHSA-N	2	2	329.488	3.663	50	30		EHEALP
C=CCn1cc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)c(C)n1	ZINC000055169086	519277874	/nfs/dbraw/zinc/27/78/74/519277874.db2.gz	SCSIPEQMHJVAOF-UHFFFAOYSA-N	2	2	349.482	3.942	50	30		EHEALP
C=CCn1cc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)c(C)n1	ZINC000055169086	519277882	/nfs/dbraw/zinc/27/78/82/519277882.db2.gz	SCSIPEQMHJVAOF-UHFFFAOYSA-N	2	2	349.482	3.942	50	30		EHEALP
N#Cc1cccc(C[NH+]2CCC(c3[nH+]ccn3CC3CCC3)CC2)c1	ZINC000091769098	218062708	/nfs/dbraw/zinc/06/27/08/218062708.db2.gz	CYFLQUKPWJXCLY-UHFFFAOYSA-N	2	2	334.467	3.934	50	30		EHEALP
Clc1cccc(C[NH+]=C2Nc3ccccc3NC23CC[NH2+]CC3)c1	ZINC000015862369	563797315	/nfs/dbraw/zinc/79/73/15/563797315.db2.gz	YAFQFNOUYXZVPZ-UHFFFAOYSA-N	2	2	340.858	3.898	50	30	in-vitro	EHEALP
CCn1cc(C[N@@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1C#N	ZINC000072151232	216039033	/nfs/dbraw/zinc/03/90/33/216039033.db2.gz	SNHKKADMNROIKE-INIZCTEOSA-N	2	2	347.466	3.711	50	30		EHEALP
CCn1cc(C[N@H+]2CCC[C@@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1C#N	ZINC000072151232	216039035	/nfs/dbraw/zinc/03/90/35/216039035.db2.gz	SNHKKADMNROIKE-INIZCTEOSA-N	2	2	347.466	3.711	50	30		EHEALP
NC(=[NH+]OCc1ccccc1F)c1cccc(C[NH+]2CCCCC2)c1	ZINC000060113035	563949663	/nfs/dbraw/zinc/94/96/63/563949663.db2.gz	HRLSITPEDUKENI-UHFFFAOYSA-N	2	2	341.430	3.649	50	30		EHEALP
CCn1cc(C[NH+]2CCC(c3[nH]c4cccc(C)c4[nH+]3)CC2)cc1C#N	ZINC000072163716	216051174	/nfs/dbraw/zinc/05/11/74/216051174.db2.gz	ISBQWETXZNVVIV-UHFFFAOYSA-N	2	2	347.466	3.944	50	30		EHEALP
CCn1cc(C[NH+]2CCC(c3[nH]c4c(cccc4C)[nH+]3)CC2)cc1C#N	ZINC000072163716	216051177	/nfs/dbraw/zinc/05/11/77/216051177.db2.gz	ISBQWETXZNVVIV-UHFFFAOYSA-N	2	2	347.466	3.944	50	30		EHEALP
Clc1ccc(C[NH+]=C2Nc3ccccc3NC23CC[NH2+]CC3)cc1	ZINC000032918740	563914532	/nfs/dbraw/zinc/91/45/32/563914532.db2.gz	UOGTYRFKIGGTDW-UHFFFAOYSA-N	2	2	340.858	3.898	50	30		EHEALP
CCn1cc(C[N@@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1C#N	ZINC000072151231	216039620	/nfs/dbraw/zinc/03/96/20/216039620.db2.gz	SNHKKADMNROIKE-MRXNPFEDSA-N	2	2	347.466	3.711	50	30		EHEALP
CCn1cc(C[N@H+]2CCC[C@H](Cc3[nH]c4ccccc4[nH+]3)C2)cc1C#N	ZINC000072151231	216039624	/nfs/dbraw/zinc/03/96/24/216039624.db2.gz	SNHKKADMNROIKE-MRXNPFEDSA-N	2	2	347.466	3.711	50	30		EHEALP
Cc1ccc2[nH]c(C3CC[NH+](Cc4cc(C#N)ccn4)CC3)[nH+]c2c1	ZINC000299775634	258085827	/nfs/dbraw/zinc/08/58/27/258085827.db2.gz	GFBHVRXIDWUMLU-UHFFFAOYSA-N	2	2	331.423	3.518	50	30		EHEALP
Clc1ccccc1C[NH+]=C1Nc2ccccc2NC12CC[NH2+]CC2	ZINC000015862365	563797343	/nfs/dbraw/zinc/79/73/43/563797343.db2.gz	NSVOREQCWCWHCQ-UHFFFAOYSA-N	2	2	340.858	3.898	50	30		EHEALP
Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc(OCCCC#N)c1)CCC2	ZINC000084257799	564067556	/nfs/dbraw/zinc/06/75/56/564067556.db2.gz	PZXYUIIBWGZWSR-GOSISDBHSA-N	2	2	338.455	3.541	50	30		EHEALP
COc1ccc(C#N)cc1C[NH2+][C@@H](C)c1cccc(-n2cc[nH+]c2)c1	ZINC000189892016	533270678	/nfs/dbraw/zinc/27/06/78/533270678.db2.gz	LIEWJUHNJAYEED-HNNXBMFYSA-N	2	2	332.407	3.603	50	30		EHEALP
N#Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)c1	ZINC000048374425	564031613	/nfs/dbraw/zinc/03/16/13/564031613.db2.gz	KUQUKBDHJMJWDK-UHFFFAOYSA-N	2	2	339.870	3.966	50	30		EHEALP