smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C#[N+]C(c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1	ZINC000038534297	183001838	/nfs/dbraw/zinc/00/18/38/183001838.db2.gz	AVUGBGJHWZSFIH-HNNXBMFYSA-N	1	3	308.329	3.708	10	0		DHAEHO
c1ccc2c(CN3CCCC4(CC[NH2+]CC4)CC3)ccnc2c1	ZINC000067588811	563488072	/nfs/dbraw/zinc/48/80/72/563488072.db2.gz	DRTIMFXDMRWMNL-UHFFFAOYSA-N	1	3	309.457	3.591	10	0		DHAEHO
C[NH+](C)CCCN(Cc1cccs1)C[C@@H]1CCOC(C)(C)C1	ZINC000021151195	182267617	/nfs/dbraw/zinc/26/76/17/182267617.db2.gz	FJNNNSTWMRFJTC-MRXNPFEDSA-N	1	3	324.534	3.707	10	0		DHAEHO
CC(C)[C@H](C)N(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042953345	183322196	/nfs/dbraw/zinc/32/21/96/183322196.db2.gz	CCDZELOBRISLBV-TYNCELHUSA-N	1	3	313.283	3.814	10	0		DHAEHO
c1ccc(COc2cccc(CCN[C@@H]3CCC[NH2+]CC3)c2)cc1	ZINC000261549859	341332191	/nfs/dbraw/zinc/33/21/91/341332191.db2.gz	KUPBPCQQZQZZOV-HXUWFJFHSA-N	1	3	324.468	3.540	10	0		DHAEHO
c1ccc(COc2cccc(CC[NH2+][C@@H]3CCCNCC3)c2)cc1	ZINC000261549859	341332192	/nfs/dbraw/zinc/33/21/92/341332192.db2.gz	KUPBPCQQZQZZOV-HXUWFJFHSA-N	1	3	324.468	3.540	10	0		DHAEHO
Cc1ccc([C@H](C)NCCOCC[NH2+][C@@H](C)c2ccc(C)o2)o1	ZINC000182602255	525921013	/nfs/dbraw/zinc/92/10/13/525921013.db2.gz	SXHPQVZHOICYRL-HOTGVXAUSA-N	1	3	320.433	3.507	10	0		DHAEHO
CC[C@H](N[C@@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1	ZINC000251124998	334883919	/nfs/dbraw/zinc/88/39/19/334883919.db2.gz	WZDBEOOAIDEPCW-AEGPPILISA-N	1	3	311.267	3.617	10	0		DHAEHO
Cc1ccc([C@@H](C)NCCOCC[NH2+][C@H](C)c2ccc(C)o2)o1	ZINC000182602271	525726150	/nfs/dbraw/zinc/72/61/50/525726150.db2.gz	SXHPQVZHOICYRL-HZPDHXFCSA-N	1	3	320.433	3.507	10	0		DHAEHO
CC(C)N(CC1CC1)[C@@H](C[NH3+])c1ccc(Br)cc1	ZINC000042580079	183286779	/nfs/dbraw/zinc/28/67/79/183286779.db2.gz	PCKNJDVJLVAGLG-HNNXBMFYSA-N	1	3	311.267	3.569	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c2ccccc2n1	ZINC000301806928	336331473	/nfs/dbraw/zinc/33/14/73/336331473.db2.gz	VXGNQFHCBPOVNM-QKYXUNIQSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2ccccc2n1	ZINC000301806928	336331474	/nfs/dbraw/zinc/33/14/74/336331474.db2.gz	VXGNQFHCBPOVNM-QKYXUNIQSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCCOc1c(Cl)cc(C[NH2+]CCCN(C)C)cc1Cl	ZINC000020967515	182256696	/nfs/dbraw/zinc/25/66/96/182256696.db2.gz	VWHBLYZKMXQHFI-UHFFFAOYSA-N	1	3	319.276	3.824	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c2ccccc2n1	ZINC000301806929	336331435	/nfs/dbraw/zinc/33/14/35/336331435.db2.gz	VXGNQFHCBPOVNM-QSFXBCCZSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2ccccc2n1	ZINC000301806929	336331436	/nfs/dbraw/zinc/33/14/36/336331436.db2.gz	VXGNQFHCBPOVNM-QSFXBCCZSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c2ccccc2n1	ZINC000301806927	336331478	/nfs/dbraw/zinc/33/14/78/336331478.db2.gz	VXGNQFHCBPOVNM-CVAIRZPRSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2ccccc2n1	ZINC000301806927	336331479	/nfs/dbraw/zinc/33/14/79/336331479.db2.gz	VXGNQFHCBPOVNM-CVAIRZPRSA-N	1	3	321.468	3.718	10	0		DHAEHO
C#[N+]C(c1c(F)cccc1F)S(=O)(=O)c1ccc(C)cc1	ZINC000038534299	183001725	/nfs/dbraw/zinc/00/17/25/183001725.db2.gz	AVUGBGJHWZSFIH-OAHLLOKOSA-N	1	3	308.329	3.708	10	0		DHAEHO
CCCN(C(C)C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042952871	183322043	/nfs/dbraw/zinc/32/20/43/183322043.db2.gz	WSMBTBZDWUPJFH-DOMZBBRYSA-N	1	3	313.283	3.958	10	0		DHAEHO
CC[C@H](C)N(CC)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042952951	183321238	/nfs/dbraw/zinc/32/12/38/183321238.db2.gz	AKBLBFBBEHJUON-YWPYICTPSA-N	1	3	313.283	3.958	10	0		DHAEHO
Cc1cc(NCCC[NH+](C)C)c2ccc(C(F)(F)F)cc2n1	ZINC000040570950	183103621	/nfs/dbraw/zinc/10/36/21/183103621.db2.gz	PPUQEVNFWSOCKN-UHFFFAOYSA-N	1	3	311.351	3.926	10	0		DHAEHO
c1ccc(COc2ccc(CCN[C@H]3CCC[NH2+]CC3)cc2)cc1	ZINC000261542165	341295498	/nfs/dbraw/zinc/29/54/98/341295498.db2.gz	BWWSPDTYHQOWQD-FQEVSTJZSA-N	1	3	324.468	3.540	10	0		DHAEHO
c1ccc(COc2ccc(CC[NH2+][C@H]3CCCNCC3)cc2)cc1	ZINC000261542165	341295499	/nfs/dbraw/zinc/29/54/99/341295499.db2.gz	BWWSPDTYHQOWQD-FQEVSTJZSA-N	1	3	324.468	3.540	10	0		DHAEHO
CCCN(C(C)C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042952868	183321538	/nfs/dbraw/zinc/32/15/38/183321538.db2.gz	WSMBTBZDWUPJFH-IUODEOHRSA-N	1	3	313.283	3.958	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c2ccccc2n1	ZINC000301806930	336331514	/nfs/dbraw/zinc/33/15/14/336331514.db2.gz	VXGNQFHCBPOVNM-ZAAXVRCTSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c2ccccc2n1	ZINC000301806930	336331515	/nfs/dbraw/zinc/33/15/15/336331515.db2.gz	VXGNQFHCBPOVNM-ZAAXVRCTSA-N	1	3	321.468	3.718	10	0		DHAEHO
CCCN1CC[C@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1	ZINC000247137840	341361428	/nfs/dbraw/zinc/36/14/28/341361428.db2.gz	SDOJEGGTERFXHV-IEBWSBKVSA-N	1	3	318.505	3.584	10	0		DHAEHO
C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12)c1ccncc1	ZINC000248411297	341376919	/nfs/dbraw/zinc/37/69/19/341376919.db2.gz	IAGIPILRKZJYBB-LLUDDFSJSA-N	1	3	321.468	3.643	10	0		DHAEHO
Cc1ccc([C@@H](C)[NH2+]CCOCCN[C@@H](C)c2ccc(C)o2)o1	ZINC000182602239	525724500	/nfs/dbraw/zinc/72/45/00/525724500.db2.gz	SXHPQVZHOICYRL-IYBDPMFKSA-N	1	3	320.433	3.507	10	0		DHAEHO
Cc1ccc([C@@H](C)NCCOCC[NH2+][C@@H](C)c2ccc(C)o2)o1	ZINC000182602239	525724516	/nfs/dbraw/zinc/72/45/16/525724516.db2.gz	SXHPQVZHOICYRL-IYBDPMFKSA-N	1	3	320.433	3.507	10	0		DHAEHO
CC(C)N(CC1CC1)[C@H](C[NH3+])c1ccc(Br)cc1	ZINC000042580082	183287000	/nfs/dbraw/zinc/28/70/00/183287000.db2.gz	PCKNJDVJLVAGLG-OAHLLOKOSA-N	1	3	311.267	3.569	10	0		DHAEHO
C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21)c1ccncc1	ZINC000180156860	333026984	/nfs/dbraw/zinc/02/69/84/333026984.db2.gz	IAGIPILRKZJYBB-LRGNLBRXSA-N	1	3	321.468	3.643	10	0		DHAEHO
c1ccc(COc2ccc(CCN[C@@H]3CCC[NH2+]CC3)cc2)cc1	ZINC000261542166	341295565	/nfs/dbraw/zinc/29/55/65/341295565.db2.gz	BWWSPDTYHQOWQD-HXUWFJFHSA-N	1	3	324.468	3.540	10	0		DHAEHO
c1ccc(COc2ccc(CC[NH2+][C@@H]3CCCNCC3)cc2)cc1	ZINC000261542166	341295566	/nfs/dbraw/zinc/29/55/66/341295566.db2.gz	BWWSPDTYHQOWQD-HXUWFJFHSA-N	1	3	324.468	3.540	10	0		DHAEHO
Cc1cc(N2CCC([N@H+]3CCC[C@@H]3C)CC2)c2ccccc2n1	ZINC000301779756	336329282	/nfs/dbraw/zinc/32/92/82/336329282.db2.gz	MROGQAIYGWQJLZ-INIZCTEOSA-N	1	3	309.457	3.996	10	0		DHAEHO
Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C)CC2)c2ccccc2n1	ZINC000301779756	336329283	/nfs/dbraw/zinc/32/92/83/336329283.db2.gz	MROGQAIYGWQJLZ-INIZCTEOSA-N	1	3	309.457	3.996	10	0		DHAEHO
CCC(CC)N(C)[C@@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042953360	183321204	/nfs/dbraw/zinc/32/12/04/183321204.db2.gz	NKDZSIBPRYOEBH-IAQYHMDHSA-N	1	3	313.283	3.958	10	0		DHAEHO
C[NH+](C)CCCN(Cc1cccs1)C[C@H]1CCOC(C)(C)C1	ZINC000021151198	182267226	/nfs/dbraw/zinc/26/72/26/182267226.db2.gz	FJNNNSTWMRFJTC-INIZCTEOSA-N	1	3	324.534	3.707	10	0		DHAEHO
CCCN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2OC)C(C)C)C1	ZINC000247137867	341361457	/nfs/dbraw/zinc/36/14/57/341361457.db2.gz	SDOJEGGTERFXHV-PKOBYXMFSA-N	1	3	318.505	3.584	10	0		DHAEHO
CCCOc1ccc2ccccc2c1C[NH2+]CCCN(C)C	ZINC000020968001	182256483	/nfs/dbraw/zinc/25/64/83/182256483.db2.gz	HTTWZWMHGIYUQO-UHFFFAOYSA-N	1	3	300.446	3.670	10	0		DHAEHO
C[C@H]([NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21)c1ccncc1	ZINC000248411299	341377055	/nfs/dbraw/zinc/37/70/55/341377055.db2.gz	IAGIPILRKZJYBB-VRXWPRPYSA-N	1	3	321.468	3.643	10	0		DHAEHO
CC[C@H](N[C@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1	ZINC000251125002	334883872	/nfs/dbraw/zinc/88/38/72/334883872.db2.gz	WZDBEOOAIDEPCW-QEJZJMRPSA-N	1	3	311.267	3.617	10	0		DHAEHO
Cc1cncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)c1	ZINC000193056078	336305047	/nfs/dbraw/zinc/30/50/47/336305047.db2.gz	UVPMGORQZGMBOI-SEJPIABJSA-N	1	3	321.468	3.675	10	0		DHAEHO
Cc1cc(N2CCC([N@H+]3CCC[C@H]3C)CC2)c2ccccc2n1	ZINC000301779759	336329272	/nfs/dbraw/zinc/32/92/72/336329272.db2.gz	MROGQAIYGWQJLZ-MRXNPFEDSA-N	1	3	309.457	3.996	10	0		DHAEHO
Cc1cc(N2CCC([N@@H+]3CCC[C@H]3C)CC2)c2ccccc2n1	ZINC000301779759	336329273	/nfs/dbraw/zinc/32/92/73/336329273.db2.gz	MROGQAIYGWQJLZ-MRXNPFEDSA-N	1	3	309.457	3.996	10	0		DHAEHO
C[C@H]([NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12)c1ccncc1	ZINC000248411298	341376907	/nfs/dbraw/zinc/37/69/07/341376907.db2.gz	IAGIPILRKZJYBB-NASSWSRMSA-N	1	3	321.468	3.643	10	0		DHAEHO
N[C@@H]1CCCC[C@H]1C[N@@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1	ZINC000021987909	182302334	/nfs/dbraw/zinc/30/23/34/182302334.db2.gz	VMNVQAFUBOSJAI-JENIJYKNSA-N	1	3	304.453	3.598	10	0		DHAEHO
N[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1	ZINC000021987909	182302336	/nfs/dbraw/zinc/30/23/36/182302336.db2.gz	VMNVQAFUBOSJAI-JENIJYKNSA-N	1	3	304.453	3.598	10	0		DHAEHO
CCC(CC)N(C)[C@H](c1ccc(Br)cc1)[C@@H](C)[NH3+]	ZINC000042953363	183322355	/nfs/dbraw/zinc/32/23/55/183322355.db2.gz	NKDZSIBPRYOEBH-ABAIWWIYSA-N	1	3	313.283	3.958	10	0		DHAEHO
c1ccc(COc2cccc(CCN[C@H]3CCC[NH2+]CC3)c2)cc1	ZINC000261549858	341332249	/nfs/dbraw/zinc/33/22/49/341332249.db2.gz	KUPBPCQQZQZZOV-FQEVSTJZSA-N	1	3	324.468	3.540	10	0		DHAEHO
c1ccc(COc2cccc(CC[NH2+][C@H]3CCCNCC3)c2)cc1	ZINC000261549858	341332250	/nfs/dbraw/zinc/33/22/50/341332250.db2.gz	KUPBPCQQZQZZOV-FQEVSTJZSA-N	1	3	324.468	3.540	10	0		DHAEHO