smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@@H](CCCCNC(N)=O)C(=O)[O-]	ZINC000002125950	569286243	/nfs/dbraw/zinc/28/62/43/569286243.db2.gz	OQRIORVPGMFSJO-AWEZNQCLSA-N	-2	1	405.407	0.758	50	0	biogenic	HCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-]	ZINC000002155714	569290234	/nfs/dbraw/zinc/29/02/34/569290234.db2.gz	JKCMWTVELNNQTF-AWEZNQCLSA-N	-2	1	405.407	0.758	50	0	biogenic	HCAAML
C[C@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1)C(N)=O	ZINC000009509056	571263916	/nfs/dbraw/zinc/26/39/16/571263916.db2.gz	PGMLRVBXGQWSDJ-VIFPVBQESA-N	-2	1	405.392	0.500	50	0		HCAAML
C[C@@H](OC(=O)c1cccc([N-]S(=O)(=O)c2ccc3nnn([O-])c3c2)c1)C(N)=O	ZINC000009509058	571263901	/nfs/dbraw/zinc/26/39/01/571263901.db2.gz	PGMLRVBXGQWSDJ-SECBINFHSA-N	-2	1	405.392	0.500	50	0		HCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-]	ZINC000011865403	559263517	/nfs/dbraw/zinc/26/35/17/559263517.db2.gz	JKCMWTVELNNQTF-CQSZACIVSA-N	-2	1	405.407	0.758	50	0		HCAAML
Cc1cc([O-])c2c(C)c(CC(=O)N[C@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1	ZINC000011865442	559263512	/nfs/dbraw/zinc/26/35/12/559263512.db2.gz	IGODCUREOYTJPM-GFCCVEGCSA-N	-2	1	405.407	0.676	50	0		HCAAML
Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)N[C@H](CCCCNC(N)=O)C(=O)[O-]	ZINC000011865465	559263826	/nfs/dbraw/zinc/26/38/26/559263826.db2.gz	OQRIORVPGMFSJO-CQSZACIVSA-N	-2	1	405.407	0.758	50	0		HCAAML
Cc1cc([O-])c2c(C)c(CC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)C)c(=O)oc2c1	ZINC000011865641	559263784	/nfs/dbraw/zinc/26/37/84/559263784.db2.gz	WCWHKCKWCVLIMZ-GOSISDBHSA-N	-2	1	404.419	1.000	50	0		HCAAML
Cc1cc([O-])c2c(C)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(=O)oc2c1	ZINC000020610007	568636812	/nfs/dbraw/zinc/63/68/12/568636812.db2.gz	WCWHKCKWCVLIMZ-SFHVURJKSA-N	-2	1	404.419	1.000	50	0	biogenic	HCAAML
Cc1cc([O-])c2c(C)c(CC(=O)N[C@@H](CCCNC(N)=O)C(=O)[O-])c(=O)oc2c1	ZINC000020610344	568636781	/nfs/dbraw/zinc/63/67/81/568636781.db2.gz	IGODCUREOYTJPM-LBPRGKRZSA-N	-2	1	405.407	0.676	50	0	biogenic	HCAAML
O=C([O-])CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1	ZINC000024259335	558593645	/nfs/dbraw/zinc/59/36/45/558593645.db2.gz	DXRASIUFRSCICO-UHFFFAOYSA-N	-2	1	405.388	0.633	50	0		HCAAML
O=CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000031819923	568933205	/nfs/dbraw/zinc/93/32/05/568933205.db2.gz	MCTSCYCRNWGSNN-GOSISDBHSA-N	-2	1	402.407	0.871	50	0		HCAAML
O=CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)CCC(=O)[O-])ccc32)CC1	ZINC000031819927	568933210	/nfs/dbraw/zinc/93/32/10/568933210.db2.gz	MCTSCYCRNWGSNN-SFHVURJKSA-N	-2	1	402.407	0.871	50	0		HCAAML
NC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)ccc1F	ZINC000032087015	527032138	/nfs/dbraw/zinc/03/21/38/527032138.db2.gz	KRUBMYGZCNEPAZ-UHFFFAOYSA-N	-2	1	423.378	0.535	50	0		HCAAML
NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1	ZINC000032096862	526910883	/nfs/dbraw/zinc/91/08/83/526910883.db2.gz	HYUDTDWHLZEANE-UHFFFAOYSA-N	-2	1	419.415	0.325	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036354626	569148099	/nfs/dbraw/zinc/14/80/99/569148099.db2.gz	DVZSBDGDJAFXMT-IBGZPJMESA-N	-2	1	402.451	0.557	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036354628	569148142	/nfs/dbraw/zinc/14/81/42/569148142.db2.gz	DVZSBDGDJAFXMT-LJQANCHMSA-N	-2	1	402.451	0.557	50	0		HCAAML
CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036354866	569148091	/nfs/dbraw/zinc/14/80/91/569148091.db2.gz	OYNBPBGWUDMRHO-SFHVURJKSA-N	-2	1	402.451	0.756	50	0		HCAAML
CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036354867	569148123	/nfs/dbraw/zinc/14/81/23/569148123.db2.gz	OYNBPBGWUDMRHO-GOSISDBHSA-N	-2	1	402.451	0.756	50	0		HCAAML
CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036357006	569148723	/nfs/dbraw/zinc/14/87/23/569148723.db2.gz	CAXJVDQBPXRCNR-IBGZPJMESA-N	-2	1	402.451	0.605	50	0		HCAAML
CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3ccccc23)CC1	ZINC000036357007	569148733	/nfs/dbraw/zinc/14/87/33/569148733.db2.gz	CAXJVDQBPXRCNR-LJQANCHMSA-N	-2	1	402.451	0.605	50	0		HCAAML
O=CN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1	ZINC000036357318	569148844	/nfs/dbraw/zinc/14/88/44/569148844.db2.gz	HQVUMASYGPDWRO-WHLIDYPQSA-N	-2	1	400.391	0.647	50	0		HCAAML
O=CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)/C=C/C(=O)[O-])ccc32)CC1	ZINC000036357319	569148805	/nfs/dbraw/zinc/14/88/05/569148805.db2.gz	HQVUMASYGPDWRO-OAJJDEHYSA-N	-2	1	400.391	0.647	50	0		HCAAML
O=CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036358041	569149440	/nfs/dbraw/zinc/14/94/40/569149440.db2.gz	QRSPRMDBNIKXLC-SFHVURJKSA-N	-2	1	402.407	0.871	50	0		HCAAML
O=CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)CCC(=O)[O-])cc32)CC1	ZINC000036358042	569149456	/nfs/dbraw/zinc/14/94/56/569149456.db2.gz	QRSPRMDBNIKXLC-GOSISDBHSA-N	-2	1	402.407	0.871	50	0		HCAAML
O=CN1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1	ZINC000036358119	569149489	/nfs/dbraw/zinc/14/94/89/569149489.db2.gz	AWZKBCBDGNJAON-WHLIDYPQSA-N	-2	1	400.391	0.647	50	0		HCAAML
O=CN1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(NC(=O)/C=C/C(=O)[O-])cc32)CC1	ZINC000036358120	569149469	/nfs/dbraw/zinc/14/94/69/569149469.db2.gz	AWZKBCBDGNJAON-OAJJDEHYSA-N	-2	1	400.391	0.647	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358220	569149477	/nfs/dbraw/zinc/14/94/77/569149477.db2.gz	IGGMKWITZWECPL-IBGZPJMESA-N	-2	1	420.441	0.697	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036358221	569149460	/nfs/dbraw/zinc/14/94/60/569149460.db2.gz	IGGMKWITZWECPL-LJQANCHMSA-N	-2	1	420.441	0.697	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036360748	569152005	/nfs/dbraw/zinc/15/20/05/569152005.db2.gz	KAHJRAJHXXTOTM-SFHVURJKSA-N	-2	1	402.451	0.708	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1	ZINC000036360749	569152001	/nfs/dbraw/zinc/15/20/01/569152001.db2.gz	KAHJRAJHXXTOTM-GOSISDBHSA-N	-2	1	402.451	0.708	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365910	569152512	/nfs/dbraw/zinc/15/25/12/569152512.db2.gz	INRCWXAMYBHNDA-SFHVURJKSA-N	-2	1	402.451	0.708	50	0		HCAAML
CN(C)C(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(C)c3cc(C(=O)[O-])ccc23)CC1	ZINC000036365912	569152394	/nfs/dbraw/zinc/15/23/94/569152394.db2.gz	INRCWXAMYBHNDA-GOSISDBHSA-N	-2	1	402.451	0.708	50	0		HCAAML
CCNC(=O)CN1CCN([C@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036367062	569152602	/nfs/dbraw/zinc/15/26/02/569152602.db2.gz	VHZQRNNIGMWWDJ-IBGZPJMESA-N	-2	1	420.441	0.744	50	0		HCAAML
CCNC(=O)CN1CCN([C@@H](C(=O)[O-])c2cn(CC(=O)[O-])c3cc(F)ccc23)CC1	ZINC000036367064	569152591	/nfs/dbraw/zinc/15/25/91/569152591.db2.gz	VHZQRNNIGMWWDJ-LJQANCHMSA-N	-2	1	420.441	0.744	50	0		HCAAML
COc1ccc(-n2c(=O)[nH]c(=O)c(C(=O)Nc3snnc3C(=O)[O-])c2[O-])cc1	ZINC000101376897	560793654	/nfs/dbraw/zinc/79/36/54/560793654.db2.gz	QIFVTSNLYYBYHP-MRVPVSSYSA-N	-2	1	405.348	0.083	50	0		HCAAML
COc1ccc(-n2c(=O)[nH]c(=O)c(C(=O)Nc3snnc3C(=O)[O-])c2[O-])cc1	ZINC000101376898	560793705	/nfs/dbraw/zinc/79/37/05/560793705.db2.gz	QIFVTSNLYYBYHP-QMMMGPOBSA-N	-2	1	405.348	0.083	50	0		HCAAML
O=C([O-])c1cc2c(c(S(=O)(=O)[N-]c3ccc(-n4nn[n-]c4=O)cc3)c1)CCC2	ZINC000170610514	569245335	/nfs/dbraw/zinc/24/53/35/569245335.db2.gz	WPUIJVZCLVWMRX-UHFFFAOYSA-N	-3	1	401.404	0.943	50	0		HCAAML
COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2nn[n-]c2=O)cc1	ZINC000170610518	569245338	/nfs/dbraw/zinc/24/53/38/569245338.db2.gz	MOLFOIOQHMAKNH-UHFFFAOYSA-N	-2	1	405.392	0.392	50	0		HCAAML