smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)[C@@]12C[NH2+]C[C@@H]1C[N@H+](C)C2	ZINC000067713968	205385616	/nfs/dbraw/zinc/38/56/16/205385616.db2.gz	PSCHKDSUUPUHSU-FOIQADDNSA-N	2	1	351.454	1.158	50	30		FDEAMP
C#CCOc1c(C[NH+]2CCC3(CC2)C[N@@H+](C)CCN3C)cccc1OC	ZINC000067947901	205039500	/nfs/dbraw/zinc/03/95/00/205039500.db2.gz	UTHINBUWAXJJRD-UHFFFAOYSA-N	2	1	357.498	1.919	50	30		FDEAMP
C[C@@H]1C[NH+](C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O	ZINC000248237996	206127658	/nfs/dbraw/zinc/12/76/58/206127658.db2.gz	CWZZDRLMJRGFCW-FGYAAKKASA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O	ZINC000248237996	206127663	/nfs/dbraw/zinc/12/76/63/206127663.db2.gz	CWZZDRLMJRGFCW-FGYAAKKASA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@H]1O	ZINC000248237996	206127669	/nfs/dbraw/zinc/12/76/69/206127669.db2.gz	CWZZDRLMJRGFCW-FGYAAKKASA-N	2	1	360.542	1.956	50	30		FDEAMP
C=CC[N@H+](C)Cc1cc(OC)ccc1OC[C@@H](O)C[NH+]1CCC(O)CC1	ZINC000095499048	525082174	/nfs/dbraw/zinc/08/21/74/525082174.db2.gz	AGNQKOXPIKPXTB-SFHVURJKSA-N	2	1	364.486	1.509	50	30		FDEAMP
C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)nc(N)[nH+]3)cc2)C1	ZINC000534647166	540394009	/nfs/dbraw/zinc/39/40/09/540394009.db2.gz	BOHFQEMGXGUSAY-ZDUSSCGKSA-N	2	1	352.442	1.206	50	30		FDEAMP
C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(-c3cc(N)nc(N)[nH+]3)cc2)C1	ZINC000534647166	540394010	/nfs/dbraw/zinc/39/40/10/540394010.db2.gz	BOHFQEMGXGUSAY-ZDUSSCGKSA-N	2	1	352.442	1.206	50	30		FDEAMP
CC(C)(C)C[N@H+]1CC[C@H](C2CCN(C(=O)CN3CC(=O)[O+]=N3)CC2)C1	ZINC000020327144	518847840	/nfs/dbraw/zinc/84/78/40/518847840.db2.gz	SMMBZOWSSSTGIA-HNNXBMFYSA-O	2	1	351.471	1.274	50	30		FDEAMP
C[C@@H]1C[NH+](C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@@H]1O	ZINC000004753524	518311075	/nfs/dbraw/zinc/31/10/75/518311075.db2.gz	CWZZDRLMJRGFCW-ZRNYENFQSA-N	2	1	360.542	1.956	50	30		FDEAMP
O=C(CN1CC(=O)[O+]=N1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2	ZINC000019739625	211250428	/nfs/dbraw/zinc/25/04/28/211250428.db2.gz	LILSVHRXWTZFSP-IBGZPJMESA-O	2	1	363.482	1.563	50	30		FDEAMP
C=CC[N@H+](C)Cc1cc(OC)ccc1OC[C@H](O)C[NH+]1CCC(O)CC1	ZINC000095499047	210085935	/nfs/dbraw/zinc/08/59/35/210085935.db2.gz	AGNQKOXPIKPXTB-GOSISDBHSA-N	2	1	364.486	1.509	50	30		FDEAMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C#N)c1	ZINC000058210352	221107093	/nfs/dbraw/zinc/10/70/93/221107093.db2.gz	BKDHMMOMMWUYGG-QGZVFWFLSA-N	2	1	364.515	1.595	50	30		FDEAMP
C=CC[NH+]1CCN(c2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)CC1	ZINC000072438843	132303097	/nfs/dbraw/zinc/30/30/97/132303097.db2.gz	CJNODOYGKYVWAU-UHFFFAOYSA-N	2	1	350.470	1.535	50	30		FDEAMP
C[C@@H]1C[NH+](C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O	ZINC000004753525	518311159	/nfs/dbraw/zinc/31/11/59/518311159.db2.gz	CWZZDRLMJRGFCW-YRPNKDGESA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O	ZINC000004753525	518311165	/nfs/dbraw/zinc/31/11/65/518311165.db2.gz	CWZZDRLMJRGFCW-YRPNKDGESA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@@H](C)C2)CC[C@@H]1O	ZINC000004753525	518311169	/nfs/dbraw/zinc/31/11/69/518311169.db2.gz	CWZZDRLMJRGFCW-YRPNKDGESA-N	2	1	360.542	1.956	50	30		FDEAMP
Cc1c(C[N@@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc(C#N)n1C	ZINC000220378792	537487634	/nfs/dbraw/zinc/48/76/34/537487634.db2.gz	RQBMUXQHBQPCTA-LJQANCHMSA-N	2	1	356.474	1.403	50	30		FDEAMP
Cc1c(C[N@H+]2CCCn3nc([C@H](O)C[NH+](C)C)cc3C2)cc(C#N)n1C	ZINC000220378792	537487643	/nfs/dbraw/zinc/48/76/43/537487643.db2.gz	RQBMUXQHBQPCTA-LJQANCHMSA-N	2	1	356.474	1.403	50	30		FDEAMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C#N)c1	ZINC000058210353	221107027	/nfs/dbraw/zinc/10/70/27/221107027.db2.gz	BKDHMMOMMWUYGG-KRWDZBQOSA-N	2	1	364.515	1.595	50	30		FDEAMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000058280899	205268134	/nfs/dbraw/zinc/26/81/34/205268134.db2.gz	UGCUWPLGEMNELI-KRWDZBQOSA-N	2	1	364.515	1.595	50	30		FDEAMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C#N)cc1	ZINC000058280897	205268777	/nfs/dbraw/zinc/26/87/77/205268777.db2.gz	UGCUWPLGEMNELI-QGZVFWFLSA-N	2	1	364.515	1.595	50	30		FDEAMP
C[C@@H]1C[NH+](C(C)(C)C#CC#CC(C)(C)[N@@H+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O	ZINC000248237998	206127916	/nfs/dbraw/zinc/12/79/16/206127916.db2.gz	CWZZDRLMJRGFCW-WTGUMLROSA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O	ZINC000248237998	206127920	/nfs/dbraw/zinc/12/79/20/206127920.db2.gz	CWZZDRLMJRGFCW-WTGUMLROSA-N	2	1	360.542	1.956	50	30		FDEAMP
C[C@@H]1C[N@@H+](C(C)(C)C#CC#CC(C)(C)[NH+]2CC[C@H](O)[C@H](C)C2)CC[C@H]1O	ZINC000248237998	206127923	/nfs/dbraw/zinc/12/79/23/206127923.db2.gz	CWZZDRLMJRGFCW-WTGUMLROSA-N	2	1	360.542	1.956	50	30		FDEAMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C#N	ZINC000058178261	522216543	/nfs/dbraw/zinc/21/65/43/522216543.db2.gz	GAGGNDIAQRVNNS-QGZVFWFLSA-N	2	1	364.515	1.595	50	30		FDEAMP
Cc1c(C[N@@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc(C#N)n1C	ZINC000220378726	537488093	/nfs/dbraw/zinc/48/80/93/537488093.db2.gz	RQBMUXQHBQPCTA-IBGZPJMESA-N	2	1	356.474	1.403	50	30		FDEAMP
Cc1c(C[N@H+]2CCCn3nc([C@@H](O)C[NH+](C)C)cc3C2)cc(C#N)n1C	ZINC000220378726	537488098	/nfs/dbraw/zinc/48/80/98/537488098.db2.gz	RQBMUXQHBQPCTA-IBGZPJMESA-N	2	1	356.474	1.403	50	30		FDEAMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1C#N	ZINC000058178263	522216695	/nfs/dbraw/zinc/21/66/95/522216695.db2.gz	GAGGNDIAQRVNNS-KRWDZBQOSA-N	2	1	364.515	1.595	50	30		FDEAMP
CC(C)(C)C[N@H+]1CC[C@@H](C2CCN(C(=O)CN3CC(=O)[O+]=N3)CC2)C1	ZINC000020327137	211275065	/nfs/dbraw/zinc/27/50/65/211275065.db2.gz	SMMBZOWSSSTGIA-OAHLLOKOSA-O	2	1	351.471	1.274	50	30		FDEAMP
C=CC[N@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)nc(N)[nH+]3)cc2)C1	ZINC000534647165	540394039	/nfs/dbraw/zinc/39/40/39/540394039.db2.gz	BOHFQEMGXGUSAY-CYBMUJFWSA-N	2	1	352.442	1.206	50	30		FDEAMP
C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc(N)nc(N)[nH+]3)cc2)C1	ZINC000534647165	540394042	/nfs/dbraw/zinc/39/40/42/540394042.db2.gz	BOHFQEMGXGUSAY-CYBMUJFWSA-N	2	1	352.442	1.206	50	30		FDEAMP
C[NH+](C)C[C@@H]1C[N@@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000169790887	864528130	/nfs/dbraw/zinc/52/81/30/864528130.db2.gz	QZHQJDAEWJFPTQ-IEBWSBKVSA-N	2	1	356.470	1.329	50	30		FDEAMP
C[NH+](C)C[C@@H]1C[N@H+](C2CCOCC2)C[C@H]1NC(=O)c1ccc(C#N)cc1	ZINC000169790887	864528136	/nfs/dbraw/zinc/52/81/36/864528136.db2.gz	QZHQJDAEWJFPTQ-IEBWSBKVSA-N	2	1	356.470	1.329	50	30		FDEAMP
O=C(CN1CC(=O)[O+]=N1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2	ZINC000019739623	220291672	/nfs/dbraw/zinc/29/16/72/220291672.db2.gz	LILSVHRXWTZFSP-LJQANCHMSA-O	2	1	363.482	1.563	50	30		FDEAMP
C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C#N)cc3)C[C@H]2CCCO)CC1	ZINC000091664636	524756843	/nfs/dbraw/zinc/75/68/43/524756843.db2.gz	KDLCGXKTOOAWNX-RTWAWAEBSA-N	2	1	356.514	1.769	50	30		FDEAMP
C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C#N)cc3)C[C@H]2CCCO)CC1	ZINC000091664636	524756851	/nfs/dbraw/zinc/75/68/51/524756851.db2.gz	KDLCGXKTOOAWNX-RTWAWAEBSA-N	2	1	356.514	1.769	50	30		FDEAMP
N#Cc1cccnc1N1CCC([NH2+]C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1	ZINC000063857119	136132995	/nfs/dbraw/zinc/13/29/95/136132995.db2.gz	GEXXJYVNHZHAJV-TZIWHRDSSA-N	2	1	369.513	1.891	50	30		FDEAMP
[NH2+]=C(NCCC[NH+]1CCOCC1)NCc1ccc(Cn2ccnc2)cc1	ZINC000170621540	864839844	/nfs/dbraw/zinc/83/98/44/864839844.db2.gz	GDLVBOIZSGCHIT-UHFFFAOYSA-N	2	1	356.474	1.058	50	30		FDEAMP