smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H](NCC[C@H](C)[NH3+])c1ccc(N(C)C)cc1	ZINC000817951690	584991846	/nfs/dbraw/zinc/99/18/46/584991846.db2.gz	FRIMQOUANGVBCK-WFASDCNBSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1[O-]	ZINC000817967754	586856769	/nfs/dbraw/zinc/85/67/69/586856769.db2.gz	BJGACONTFUTTMQ-OCCSQVGLSA-N	1	3	248.370	2.575	20	10		BFCDHO
C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1[O-]	ZINC000817979489	586861463	/nfs/dbraw/zinc/86/14/63/586861463.db2.gz	BJFLAQNADFHDIT-OLZOCXBDSA-N	1	3	248.370	2.575	20	10		BFCDHO
CC[C@H](N)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1	ZINC000817979822	586862105	/nfs/dbraw/zinc/86/21/05/586862105.db2.gz	PACJWSIKIRYCNT-JSGCOSHPSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1[O-]	ZINC000925736500	634589721	/nfs/dbraw/zinc/58/97/21/634589721.db2.gz	APASENWENCIDCR-LBPRGKRZSA-N	1	3	236.359	2.560	20	10		BFCDHO
Cc1ccc([C@@H](C)NCC2([NH3+])CCC2)c(O)c1C	ZINC000817965219	586854019	/nfs/dbraw/zinc/85/40/19/586854019.db2.gz	RKQGEIMHDGSIIC-GFCCVEGCSA-N	1	3	248.370	2.541	20	10		BFCDHO
C[C@@H](NCCC(C)(C)[NH3+])c1ccc(N(C)C)cc1	ZINC000925740196	646462809	/nfs/dbraw/zinc/46/28/09/646462809.db2.gz	FHLZZKDWMLBBBS-GFCCVEGCSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1[O-]	ZINC000817978181	584994314	/nfs/dbraw/zinc/99/43/14/584994314.db2.gz	XVKFEIUOPFDHME-WCQYABFASA-N	1	3	236.359	2.560	20	10		BFCDHO
CCN(C)c1ccc([C@@H](C)NCC[C@H](C)[NH3+])cc1	ZINC000817953128	586848760	/nfs/dbraw/zinc/84/87/60/586848760.db2.gz	NNRJPODGSLTWRO-QWHCGFSZSA-N	1	3	249.402	2.531	20	10		BFCDHO
CCN(C)c1ccc([C@@H](C)[NH2+]CC(C)(C)N)cc1	ZINC000817960908	586851435	/nfs/dbraw/zinc/85/14/35/586851435.db2.gz	UCBFDIJQGVZMAA-GFCCVEGCSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[O-]	ZINC000817970148	586856847	/nfs/dbraw/zinc/85/68/47/586856847.db2.gz	MQTPIGKDTZUOJH-BZPMIXESSA-N	1	3	248.370	2.703	20	10		BFCDHO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([O-])c1	ZINC000817970450	586857469	/nfs/dbraw/zinc/85/74/69/586857469.db2.gz	VUMMIFRNFKLZSU-YNEHKIRRSA-N	1	3	248.370	2.621	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)N)cc1	ZINC000817977319	586861695	/nfs/dbraw/zinc/86/16/95/586861695.db2.gz	HPJITSQFHNJPBT-XQQFMLRXSA-N	1	3	249.402	2.529	20	10		BFCDHO
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)[C@H](C)[NH3+]	ZINC001326472625	989572419	/nfs/dbraw/zinc/57/24/19/989572419.db2.gz	PCAJMJOSBMYCRV-KXNHARMFSA-N	1	3	248.370	2.574	20	10		BFCDHO
C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[O-]	ZINC000817961041	586851304	/nfs/dbraw/zinc/85/13/04/586851304.db2.gz	TUXRPRWGTVOOQW-SCRDCRAPSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1[O-]	ZINC000817967724	586856782	/nfs/dbraw/zinc/85/67/82/586856782.db2.gz	BJGACONTFUTTMQ-GXTWGEPZSA-N	1	3	248.370	2.575	20	10		BFCDHO
C[C@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1[O-]	ZINC000817976219	586860995	/nfs/dbraw/zinc/86/09/95/586860995.db2.gz	IKONWBWMCHSZAM-NEPJUHHUSA-N	1	3	236.359	2.560	20	10		BFCDHO
C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1[O-]	ZINC000817979491	586861216	/nfs/dbraw/zinc/86/12/16/586861216.db2.gz	BJFLAQNADFHDIT-QWHCGFSZSA-N	1	3	248.370	2.575	20	10		BFCDHO
Cc1ccc([C@@H](C)[NH2+]C2CCC([NH3+])CC2)c([O-])c1	ZINC000051693045	631869760	/nfs/dbraw/zinc/86/97/60/631869760.db2.gz	OMCSHDVARDDEIT-PNESKVBLSA-N	1	3	248.370	2.621	20	10		BFCDHO
C[C@H](NCCC(C)(C)[NH3+])c1ccc(N(C)C)cc1	ZINC000925740198	646462690	/nfs/dbraw/zinc/46/26/90/646462690.db2.gz	FHLZZKDWMLBBBS-LBPRGKRZSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H](N)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1	ZINC000817979823	584994380	/nfs/dbraw/zinc/99/43/80/584994380.db2.gz	PACJWSIKIRYCNT-OCCSQVGLSA-N	1	3	249.402	2.531	20	10		BFCDHO
C[C@H](CCCC[NH3+])[NH2+][C@H](C)c1ccccc1[O-]	ZINC000817976224	586860318	/nfs/dbraw/zinc/86/03/18/586860318.db2.gz	IKONWBWMCHSZAM-VXGBXAGGSA-N	1	3	236.359	2.560	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)N)cc1	ZINC000817977316	586861898	/nfs/dbraw/zinc/86/18/98/586861898.db2.gz	HPJITSQFHNJPBT-AGIUHOORSA-N	1	3	249.402	2.529	20	10		BFCDHO
C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccccc1[O-]	ZINC000817979484	586862134	/nfs/dbraw/zinc/86/21/34/586862134.db2.gz	BJFLAQNADFHDIT-CHWSQXEVSA-N	1	3	248.370	2.575	20	10		BFCDHO
CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1[O-]	ZINC000051693578	631869727	/nfs/dbraw/zinc/86/97/27/631869727.db2.gz	BGWKPNMBIAHHIV-YIZWMMSDSA-N	1	3	248.370	2.703	20	10		BFCDHO
CC[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1[O-]	ZINC000817980818	644995217	/nfs/dbraw/zinc/99/52/17/644995217.db2.gz	DVHSSFBCQUBDGB-BZPMIXESSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1[O-]	ZINC000817967751	586856692	/nfs/dbraw/zinc/85/66/92/586856692.db2.gz	BJGACONTFUTTMQ-JSGCOSHPSA-N	1	3	248.370	2.575	20	10		BFCDHO
CC[C@H]([NH3+])CN[C@H]1C[C@H](C)c2c1c(O)ccc2C	ZINC001345482028	980618032	/nfs/dbraw/zinc/61/80/32/980618032.db2.gz	KFTCPBAWJXGMAJ-SRVKXCTJSA-N	1	3	248.370	2.576	20	10		BFCDHO
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)[C@@H](C)[NH3+]	ZINC001326472627	989574255	/nfs/dbraw/zinc/57/42/55/989574255.db2.gz	PCAJMJOSBMYCRV-WYUUTHIRSA-N	1	3	248.370	2.574	20	10		BFCDHO
CC[C@@H](N)C[NH2+][C@H](C)c1ccc(N(C)CC)cc1	ZINC000817979824	584994438	/nfs/dbraw/zinc/99/44/38/584994438.db2.gz	PACJWSIKIRYCNT-TZMCWYRMSA-N	1	3	249.402	2.531	20	10		BFCDHO
C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1[O-]	ZINC000817961043	586851836	/nfs/dbraw/zinc/85/18/36/586851836.db2.gz	TUXRPRWGTVOOQW-SGMGOOAPSA-N	1	3	248.370	2.560	20	10		BFCDHO
C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccccc1[O-]	ZINC000817979493	586861674	/nfs/dbraw/zinc/86/16/74/586861674.db2.gz	BJFLAQNADFHDIT-STQMWFEESA-N	1	3	248.370	2.575	20	10		BFCDHO
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H](C)[C@H](C)[NH3+]	ZINC001326472626	989571276	/nfs/dbraw/zinc/57/12/76/989571276.db2.gz	PCAJMJOSBMYCRV-RHYQMDGZSA-N	1	3	248.370	2.574	20	10		BFCDHO
Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@H](C)[C@@H](C)[NH3+]	ZINC001326472624	989575472	/nfs/dbraw/zinc/57/54/72/989575472.db2.gz	PCAJMJOSBMYCRV-KKOKHZNYSA-N	1	3	248.370	2.574	20	10		BFCDHO
Cc1ccc([C@H](C)NCC2([NH3+])CCC2)c(O)c1C	ZINC000817965223	586853846	/nfs/dbraw/zinc/85/38/46/586853846.db2.gz	RKQGEIMHDGSIIC-LBPRGKRZSA-N	1	3	248.370	2.541	20	10		BFCDHO
CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1[O-]	ZINC000817970151	586857366	/nfs/dbraw/zinc/85/73/66/586857366.db2.gz	MQTPIGKDTZUOJH-SCRDCRAPSA-N	1	3	248.370	2.703	20	10		BFCDHO
C[C@@H]([NH2+][C@@H](C)CCCC[NH3+])c1ccccc1[O-]	ZINC000817976221	586860719	/nfs/dbraw/zinc/86/07/19/586860719.db2.gz	IKONWBWMCHSZAM-NWDGAFQWSA-N	1	3	236.359	2.560	20	10		BFCDHO
CC[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1[O-]	ZINC000844919897	588219162	/nfs/dbraw/zinc/21/91/62/588219162.db2.gz	ICLHXPSDPYWNKN-CYBMUJFWSA-N	1	3	248.370	2.562	20	10		BFCDHO
CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1[O-]	ZINC000051693580	631868435	/nfs/dbraw/zinc/86/84/35/631868435.db2.gz	BGWKPNMBIAHHIV-ORHYLEIMSA-N	1	3	248.370	2.703	20	10		BFCDHO
CC[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1[O-]	ZINC000817980820	644995168	/nfs/dbraw/zinc/99/51/68/644995168.db2.gz	DVHSSFBCQUBDGB-OBJOEFQTSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@H]([NH3+])CN[C@@H]1C[C@H](C)c2c1c(O)ccc2C	ZINC001345482027	980618450	/nfs/dbraw/zinc/61/84/50/980618450.db2.gz	KFTCPBAWJXGMAJ-SDDRHHMPSA-N	1	3	248.370	2.576	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)N)cc1	ZINC000817977317	586862219	/nfs/dbraw/zinc/86/22/19/586862219.db2.gz	HPJITSQFHNJPBT-AVGNSLFASA-N	1	3	249.402	2.529	20	10		BFCDHO
C[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[O-]	ZINC000873241643	590006692	/nfs/dbraw/zinc/00/66/92/590006692.db2.gz	XSFJLTJOEWTRIA-JHJVBQTASA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1[O-]	ZINC000817980849	644995040	/nfs/dbraw/zinc/99/50/40/644995040.db2.gz	DVHSSFBCQUBDGB-SCRDCRAPSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1[O-]	ZINC000925883817	961717376	/nfs/dbraw/zinc/71/73/76/961717376.db2.gz	XZXVZFLXSUZNHW-MBNYWOFBSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1[O-]	ZINC000817967756	586856115	/nfs/dbraw/zinc/85/61/15/586856115.db2.gz	BJGACONTFUTTMQ-TZMCWYRMSA-N	1	3	248.370	2.575	20	10		BFCDHO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c([O-])c1	ZINC000817970449	586857421	/nfs/dbraw/zinc/85/74/21/586857421.db2.gz	VUMMIFRNFKLZSU-XQQFMLRXSA-N	1	3	248.370	2.621	20	10		BFCDHO
C[C@H]([NH2+]CCCCCC[NH3+])c1ccccc1[O-]	ZINC000843342954	967883224	/nfs/dbraw/zinc/88/32/24/967883224.db2.gz	VTWFBQXMPFTDDE-LBPRGKRZSA-N	1	3	236.359	2.562	20	10		BFCDHO
CC[C@@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1[O-]	ZINC000817978180	584994466	/nfs/dbraw/zinc/99/44/66/584994466.db2.gz	XVKFEIUOPFDHME-DGCLKSJQSA-N	1	3	236.359	2.560	20	10		BFCDHO
CC[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1[O-]	ZINC000925883815	961716857	/nfs/dbraw/zinc/71/68/57/961716857.db2.gz	XZXVZFLXSUZNHW-DYEKYZERSA-N	1	3	248.370	2.560	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)NCC[C@H](C)[NH3+])cc1	ZINC000817953129	586849161	/nfs/dbraw/zinc/84/91/61/586849161.db2.gz	NNRJPODGSLTWRO-STQMWFEESA-N	1	3	249.402	2.531	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)[NH2+]CC(C)(C)N)cc1	ZINC000817960909	586851569	/nfs/dbraw/zinc/85/15/69/586851569.db2.gz	UCBFDIJQGVZMAA-LBPRGKRZSA-N	1	3	249.402	2.531	20	10		BFCDHO
Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([O-])c1	ZINC000817970447	586857647	/nfs/dbraw/zinc/85/76/47/586857647.db2.gz	VUMMIFRNFKLZSU-AVGNSLFASA-N	1	3	248.370	2.621	20	10		BFCDHO
C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1[O-]	ZINC000873241641	590005163	/nfs/dbraw/zinc/00/51/63/590005163.db2.gz	XSFJLTJOEWTRIA-AVGNSLFASA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(N(C)CC)cc1	ZINC000817979821	644993246	/nfs/dbraw/zinc/99/32/46/644993246.db2.gz	PACJWSIKIRYCNT-GXTWGEPZSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H]([NH3+])CN[C@@H]1C[C@@H](C)c2c1c(O)ccc2C	ZINC001345482026	980617875	/nfs/dbraw/zinc/61/78/75/980617875.db2.gz	KFTCPBAWJXGMAJ-GRYCIOLGSA-N	1	3	248.370	2.576	20	10		BFCDHO
CC[C@H]([NH2+][C@@H](C)CCC[NH3+])c1ccccc1[O-]	ZINC000817978179	584994426	/nfs/dbraw/zinc/99/44/26/584994426.db2.gz	XVKFEIUOPFDHME-AAEUAGOBSA-N	1	3	236.359	2.560	20	10		BFCDHO
CC[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccccc1[O-]	ZINC000817970150	586858136	/nfs/dbraw/zinc/85/81/36/586858136.db2.gz	MQTPIGKDTZUOJH-OBJOEFQTSA-N	1	3	248.370	2.703	20	10		BFCDHO
C[C@@H]([NH2+]CCCCCC[NH3+])c1ccccc1[O-]	ZINC000843342953	588101244	/nfs/dbraw/zinc/10/12/44/588101244.db2.gz	VTWFBQXMPFTDDE-GFCCVEGCSA-N	1	3	236.359	2.562	20	10		BFCDHO
Cc1ccc([C@H](C)[NH2+]C2CCC([NH3+])CC2)c([O-])c1	ZINC000051693047	631868122	/nfs/dbraw/zinc/86/81/22/631868122.db2.gz	OMCSHDVARDDEIT-HIFPTAJRSA-N	1	3	248.370	2.621	20	10		BFCDHO
CC[C@H]([NH3+])CN[C@H]1C[C@@H](C)c2c1c(O)ccc2C	ZINC001345482029	980619114	/nfs/dbraw/zinc/61/91/14/980619114.db2.gz	KFTCPBAWJXGMAJ-WOPDTQHZSA-N	1	3	248.370	2.576	20	10		BFCDHO
CC[C@@H](NCC[C@H](C)[NH3+])c1ccc(N(C)C)cc1	ZINC000817951689	584991848	/nfs/dbraw/zinc/99/18/48/584991848.db2.gz	FRIMQOUANGVBCK-SWLSCSKDSA-N	1	3	249.402	2.531	20	10		BFCDHO
CC[C@H]([NH2+][C@H](C)CCC[NH3+])c1ccccc1[O-]	ZINC000817978182	584994469	/nfs/dbraw/zinc/99/44/69/584994469.db2.gz	XVKFEIUOPFDHME-YPMHNXCESA-N	1	3	236.359	2.560	20	10		BFCDHO
C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccccc1[O-]	ZINC000817961039	586851270	/nfs/dbraw/zinc/85/12/70/586851270.db2.gz	TUXRPRWGTVOOQW-OBJOEFQTSA-N	1	3	248.370	2.560	20	10		BFCDHO
C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccccc1[O-]	ZINC000817961040	586851723	/nfs/dbraw/zinc/85/17/23/586851723.db2.gz	TUXRPRWGTVOOQW-OUCADQQQSA-N	1	3	248.370	2.560	20	10		BFCDHO
CC[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1[O-]	ZINC000817970149	586856505	/nfs/dbraw/zinc/85/65/05/586856505.db2.gz	MQTPIGKDTZUOJH-DYEKYZERSA-N	1	3	248.370	2.703	20	10		BFCDHO
Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([O-])c1	ZINC000817970448	586858009	/nfs/dbraw/zinc/85/80/09/586858009.db2.gz	VUMMIFRNFKLZSU-RWMBFGLXSA-N	1	3	248.370	2.621	20	10		BFCDHO
CCN(C)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)N)cc1	ZINC000817977318	586861616	/nfs/dbraw/zinc/86/16/16/586861616.db2.gz	HPJITSQFHNJPBT-UPJWGTAASA-N	1	3	249.402	2.529	20	10		BFCDHO
CC[C@@H]([NH2+]CCC(C)(C)[NH3+])c1ccccc1[O-]	ZINC000925736499	634590044	/nfs/dbraw/zinc/59/00/44/634590044.db2.gz	APASENWENCIDCR-GFCCVEGCSA-N	1	3	236.359	2.560	20	10		BFCDHO
CC[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1[O-]	ZINC000844919898	588219395	/nfs/dbraw/zinc/21/93/95/588219395.db2.gz	ICLHXPSDPYWNKN-ZDUSSCGKSA-N	1	3	248.370	2.562	20	10		BFCDHO
C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)c1ccccc1[O-]	ZINC000817976222	586861021	/nfs/dbraw/zinc/86/10/21/586861021.db2.gz	IKONWBWMCHSZAM-RYUDHWBXSA-N	1	3	236.359	2.560	20	10		BFCDHO
CC[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1[O-]	ZINC000817980819	644994082	/nfs/dbraw/zinc/99/40/82/644994082.db2.gz	DVHSSFBCQUBDGB-DYEKYZERSA-N	1	3	248.370	2.560	20	10		BFCDHO