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@H]([NH2+]C1CCCC1)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000253495326	202893941	/nfs/dbraw/zinc/89/39/41/202893941.db2.gz	SERFHLWUWCGRFV-CABCVRRESA-N	1	0	304.453	4.655	10	10		DJCERO
Cc1ccc([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c(O)c1	ZINC000185335952	337204286	/nfs/dbraw/zinc/20/42/86/337204286.db2.gz	ZBAZYCYQBMIXCB-KKSFZXQISA-N	1	0	318.420	4.536	10	10		DJCERO
C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000253495327	563900995	/nfs/dbraw/zinc/90/09/95/563900995.db2.gz	SERFHLWUWCGRFV-GJZGRUSLSA-N	1	0	304.453	4.655	10	10		DJCERO
CCCCC[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000035709567	563961922	/nfs/dbraw/zinc/96/19/22/563961922.db2.gz	VJEJRBCZOWDOBY-JKSUJKDBSA-N	1	0	306.469	4.903	10	10		DJCERO
CCCCCC[NH2+][C@H](CC)c1cc(Br)ccc1O	ZINC000020017369	182179225	/nfs/dbraw/zinc/17/92/25/182179225.db2.gz	HGIRTQJCUZYXPM-CQSZACIVSA-N	1	0	314.267	4.776	10	10		DJCERO
CC(C)CC[NH2+][C@H](C)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020468551	182221848	/nfs/dbraw/zinc/22/18/48/182221848.db2.gz	CXDSMYWDAKFQKR-MRXNPFEDSA-N	1	0	306.469	4.903	10	10		DJCERO
C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020550987	182230333	/nfs/dbraw/zinc/23/03/33/182230333.db2.gz	KCKZCUWITCDDHC-OAHLLOKOSA-N	1	0	304.453	4.799	10	10		DJCERO
CC[C@H]([NH2+][C@@H](C)CC(C)C)c1cc(Br)ccc1O	ZINC000037261111	182876585	/nfs/dbraw/zinc/87/65/85/182876585.db2.gz	WLYWZMYQKADNAX-FZMZJTMJSA-N	1	0	314.267	4.630	10	10		DJCERO
C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020572047	563961647	/nfs/dbraw/zinc/96/16/47/563961647.db2.gz	LXMAFIJGRFJQOP-OAHLLOKOSA-N	1	0	304.453	4.655	10	10		DJCERO
CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020572053	563961672	/nfs/dbraw/zinc/96/16/72/563961672.db2.gz	UYGXCERBLWTNBK-INIZCTEOSA-N	1	0	306.469	4.759	10	10		DJCERO
C[C@@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2ccccc2c1O	ZINC000192795203	336262058	/nfs/dbraw/zinc/26/20/58/336262058.db2.gz	VAVVJKDLUFFWBY-KUHUBIRLSA-N	1	0	319.404	4.720	10	10		DJCERO
CCCCC[NH2+][C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000020582607	563961667	/nfs/dbraw/zinc/96/16/67/563961667.db2.gz	VJEJRBCZOWDOBY-HZPDHXFCSA-N	1	0	306.469	4.903	10	10		DJCERO
C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1O	ZINC000192795170	336262072	/nfs/dbraw/zinc/26/20/72/336262072.db2.gz	VAVVJKDLUFFWBY-AUUYWEPGSA-N	1	0	319.404	4.720	10	10		DJCERO
Cc1ccc(O)c([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1	ZINC000185335499	337204166	/nfs/dbraw/zinc/20/41/66/337204166.db2.gz	MEWWBUQAPAQBKA-IIBYNOLFSA-N	1	0	318.420	4.536	10	10		DJCERO
Cc1ccc(O)c([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c1	ZINC000185335518	337204281	/nfs/dbraw/zinc/20/42/81/337204281.db2.gz	MEWWBUQAPAQBKA-HRAATJIYSA-N	1	0	318.420	4.536	10	10		DJCERO
CC[NH+](CC)CCSc1ccccc1-n1c(C)ccc1C	ZINC000584601694	337370950	/nfs/dbraw/zinc/37/09/50/337370950.db2.gz	MIERPHDWTDZJHE-UHFFFAOYSA-N	1	0	302.487	4.528	10	10		DJCERO
CC(C)CC[NH2+][C@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000020569985	563961555	/nfs/dbraw/zinc/96/15/55/563961555.db2.gz	RLXLXLBVBIGXEO-HZPDHXFCSA-N	1	0	306.469	4.759	10	10		DJCERO
CC(C)CC[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020572054	563961615	/nfs/dbraw/zinc/96/16/15/563961615.db2.gz	UYGXCERBLWTNBK-MRXNPFEDSA-N	1	0	306.469	4.759	10	10		DJCERO
CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020468549	182221397	/nfs/dbraw/zinc/22/13/97/182221397.db2.gz	CXDSMYWDAKFQKR-INIZCTEOSA-N	1	0	306.469	4.903	10	10		DJCERO
C[C@H]([NH2+]Cc1ccc(N2CCCCC2)cc1)c1cccs1	ZINC000019999814	333296221	/nfs/dbraw/zinc/29/62/21/333296221.db2.gz	JSMYQIDJAAIXTQ-HNNXBMFYSA-N	1	0	300.471	4.589	10	10		DJCERO
CC[C@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1O	ZINC000186169620	337254170	/nfs/dbraw/zinc/25/41/70/337254170.db2.gz	RRPYZXNBKZKDHI-PZJWPPBQSA-N	1	0	318.420	4.618	10	10		DJCERO
Nc1ccc(CC[NH+](Cc2ccccc2)Cc2ccccc2)cc1	ZINC000071426102	190969050	/nfs/dbraw/zinc/96/90/50/190969050.db2.gz	MBRBNXQDRQLECH-UHFFFAOYSA-N	1	0	316.448	4.514	10	10		DJCERO
C[C@H]([NH2+][C@@H]1CCOc2ccccc21)c1ccc2ccccc2c1O	ZINC000192795159	336262051	/nfs/dbraw/zinc/26/20/51/336262051.db2.gz	VAVVJKDLUFFWBY-IFXJQAMLSA-N	1	0	319.404	4.720	10	10		DJCERO
CCCCCCC1(C)CC[NH+](CCc2ccc(O)c(O)c2)CC1	ZINC000584650435	337380739	/nfs/dbraw/zinc/38/07/39/337380739.db2.gz	JUJJHCYCKWIGMW-UHFFFAOYSA-N	1	0	319.489	4.713	10	10		DJCERO
C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000020569973	563961563	/nfs/dbraw/zinc/96/15/63/563961563.db2.gz	SERFHLWUWCGRFV-LSDHHAIUSA-N	1	0	304.453	4.655	10	10		DJCERO
CCCCC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000020582602	563961594	/nfs/dbraw/zinc/96/15/94/563961594.db2.gz	VJEJRBCZOWDOBY-CVEARBPZSA-N	1	0	306.469	4.903	10	10		DJCERO
C[C@@H]([NH2+]C1CCCC1)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000020569971	563961602	/nfs/dbraw/zinc/96/16/02/563961602.db2.gz	SERFHLWUWCGRFV-HUUCEWRRSA-N	1	0	304.453	4.655	10	10		DJCERO
CCCCC[NH2+][C@@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000035709564	563961851	/nfs/dbraw/zinc/96/18/51/563961851.db2.gz	VJEJRBCZOWDOBY-HOTGVXAUSA-N	1	0	306.469	4.903	10	10		DJCERO
C[NH+]1CCC(=C2c3ccsc3SCc3ccccc32)CC1	ZINC000005599827	181262475	/nfs/dbraw/zinc/26/24/75/181262475.db2.gz	VZWWTHTUQTYAGH-UHFFFAOYSA-N	1	0	313.491	4.881	10	10		DJCERO
CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000248274586	202730711	/nfs/dbraw/zinc/73/07/11/202730711.db2.gz	RLXLXLBVBIGXEO-HOTGVXAUSA-N	1	0	306.469	4.759	10	10		DJCERO
CC[C@@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1O	ZINC000186169602	337254154	/nfs/dbraw/zinc/25/41/54/337254154.db2.gz	RRPYZXNBKZKDHI-CTNGQTDRSA-N	1	0	318.420	4.618	10	10		DJCERO
CC(C)CC[NH2+][C@H](C)c1ccc(N2CCC[C@H](C)C2)c(F)c1	ZINC000035709555	563961886	/nfs/dbraw/zinc/96/18/86/563961886.db2.gz	RLXLXLBVBIGXEO-JKSUJKDBSA-N	1	0	306.469	4.759	10	10		DJCERO
C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCCCCC2)c(F)c1	ZINC000020550989	182230118	/nfs/dbraw/zinc/23/01/18/182230118.db2.gz	KCKZCUWITCDDHC-HNNXBMFYSA-N	1	0	304.453	4.799	10	10		DJCERO
Cc1ccc(O)c([C@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1	ZINC000185335482	337204208	/nfs/dbraw/zinc/20/42/08/337204208.db2.gz	MEWWBUQAPAQBKA-KKSFZXQISA-N	1	0	318.420	4.536	10	10		DJCERO
CC[C@H]([NH2+][C@@H](c1ccccc1)c1cccnc1)c1ccccc1O	ZINC000186169582	337254222	/nfs/dbraw/zinc/25/42/22/337254222.db2.gz	RRPYZXNBKZKDHI-FPOVZHCZSA-N	1	0	318.420	4.618	10	10		DJCERO
CCN(CC)c1ccc(C[NH2+]CCc2ccc(Cl)cc2)cc1	ZINC000013721289	563662970	/nfs/dbraw/zinc/66/29/70/563662970.db2.gz	OKHKFEWCUJGCIW-UHFFFAOYSA-N	1	0	316.876	4.519	10	10		DJCERO
CC[n+]1c(/C=C/c2ccc(N(C)C)cc2)sc2cc(C)ccc21	ZINC000005128442	181206984	/nfs/dbraw/zinc/20/69/84/181206984.db2.gz	UUTSUSLCQNTELT-UHFFFAOYSA-N	1	0	323.485	4.754	10	10		DJCERO
CC[C@@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1O	ZINC000019879069	182160119	/nfs/dbraw/zinc/16/01/19/182160119.db2.gz	KSHBNXZZZBKKKO-CQSZACIVSA-N	1	0	312.251	4.528	10	10		DJCERO
CC[C@H]([NH2+]C1CCCCC1)c1cc(Br)ccc1O	ZINC000019879070	182160251	/nfs/dbraw/zinc/16/02/51/182160251.db2.gz	KSHBNXZZZBKKKO-AWEZNQCLSA-N	1	0	312.251	4.528	10	10		DJCERO
CCCCC[NH2+][C@@H](C)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020582595	134647735	/nfs/dbraw/zinc/64/77/35/134647735.db2.gz	YZCGACULVXCGEE-INIZCTEOSA-N	1	0	306.469	4.903	10	10		DJCERO
CCn1c(C2=CCC[N@H+](Cc3ccccc3)C2)cc2ccccc21	ZINC000584618882	337373265	/nfs/dbraw/zinc/37/32/65/337373265.db2.gz	XZSRWCKZVZWIAB-UHFFFAOYSA-N	1	0	316.448	4.951	10	10		DJCERO
CCCCC[NH2+][C@H](C)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020582599	563961536	/nfs/dbraw/zinc/96/15/36/563961536.db2.gz	YZCGACULVXCGEE-MRXNPFEDSA-N	1	0	306.469	4.903	10	10		DJCERO
C[C@H]([NH2+][C@H]1CCOc2ccccc21)c1ccc2ccccc2c1O	ZINC000192795184	336262136	/nfs/dbraw/zinc/26/21/36/336262136.db2.gz	VAVVJKDLUFFWBY-LIRRHRJNSA-N	1	0	319.404	4.720	10	10		DJCERO
Cc1ccc([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c(O)c1	ZINC000185335932	337204234	/nfs/dbraw/zinc/20/42/34/337204234.db2.gz	ZBAZYCYQBMIXCB-IERDGZPVSA-N	1	0	318.420	4.536	10	10		DJCERO
Cc1ccc([C@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c(O)c1	ZINC000185335989	337204243	/nfs/dbraw/zinc/20/42/43/337204243.db2.gz	ZBAZYCYQBMIXCB-HRAATJIYSA-N	1	0	318.420	4.536	10	10		DJCERO
c1ccc2c(c1)CN(c1ccc(C[NH2+]C3CCCCC3)cc1)C2	ZINC000072236219	191080632	/nfs/dbraw/zinc/08/06/32/191080632.db2.gz	ANROUOMRRSJBBV-UHFFFAOYSA-N	1	0	306.453	4.629	10	10		DJCERO
CN(c1ccccc1)c1ccc(N=[N+]=c2sccn2C)cc1	ZINC000038615398	183004877	/nfs/dbraw/zinc/00/48/77/183004877.db2.gz	SNCPMCKMUWEEAN-UHFFFAOYSA-N	1	0	309.418	4.756	10	10		DJCERO
Cc1ccc([C@@H](C)[NH2+][C@H](c2ccccc2)c2cccnc2)c(O)c1	ZINC000185335970	337204182	/nfs/dbraw/zinc/20/41/82/337204182.db2.gz	ZBAZYCYQBMIXCB-IIBYNOLFSA-N	1	0	318.420	4.536	10	10		DJCERO
Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](c2ccccc2)c2cccnc2)c1	ZINC000185335466	337204276	/nfs/dbraw/zinc/20/42/76/337204276.db2.gz	MEWWBUQAPAQBKA-IERDGZPVSA-N	1	0	318.420	4.536	10	10		DJCERO
CC[C@@H]([NH2+][C@H](c1ccccc1)c1cccnc1)c1ccccc1O	ZINC000186169635	337254233	/nfs/dbraw/zinc/25/42/33/337254233.db2.gz	RRPYZXNBKZKDHI-TZIWHRDSSA-N	1	0	318.420	4.618	10	10		DJCERO
CC(C)CC[NH2+][C@@H](C)c1ccc(N2CCC[C@@H](C)C2)c(F)c1	ZINC000020569983	563961642	/nfs/dbraw/zinc/96/16/42/563961642.db2.gz	RLXLXLBVBIGXEO-CVEARBPZSA-N	1	0	306.469	4.759	10	10		DJCERO
C[C@H]([NH2+]C1CCCC1)c1ccc(N2CCC(C)CC2)c(F)c1	ZINC000020572048	134648086	/nfs/dbraw/zinc/64/80/86/134648086.db2.gz	LXMAFIJGRFJQOP-HNNXBMFYSA-N	1	0	304.453	4.655	10	10		DJCERO