smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCc1nc2c(=O)[n-]c(=O)n(C)c2nc1CC	ZINC000028010096	172009516	/nfs/dbraw/zinc/00/95/16/172009516.db2.gz	QRBZQCZFHKTERZ-UHFFFAOYSA-N	-1	3	234.259	0.554	1	0		BCAFHM
Cc1c([O-])nc(N)n1C(=O)OCc1ccccc1	ZINC000026717347	177058639	/nfs/dbraw/zinc/05/86/39/177058639.db2.gz	VJSUBZFYLAFHJO-QMMMGPOBSA-N	-1	3	247.254	0.869	1	0		BCAFHM
CC(C)C[C@@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000069487368	574416046	/nfs/dbraw/zinc/41/60/46/574416046.db2.gz	RXEZGYNSRRXKTR-NKWVEPMBSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CSCCC(NC(=O)[C@H](C)N)C(=O)[O-]	ZINC000100385828	574417274	/nfs/dbraw/zinc/41/72/74/574417274.db2.gz	SGUOGGPCQSHBHV-YFKPBYRVSA-N	-1	3	220.294	0.488	1	0	endogenous,in-vitro	BCAFHM
CSCCC(NC(=O)CN)C(=O)[O-]	ZINC000069486929	574415931	/nfs/dbraw/zinc/41/59/31/574415931.db2.gz	NZDRMRLAYICQTO-UHFFFAOYSA-N	-1	3	206.267	0.100	1	0	endogenous,in-vitro	BCAFHM
CC(C)C[C@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000069487371	574416080	/nfs/dbraw/zinc/41/60/80/574416080.db2.gz	RXEZGYNSRRXKTR-RQJHMYQMSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC(C)[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069488439	574416367	/nfs/dbraw/zinc/41/63/67/574416367.db2.gz	OKVMDXQTTOXOHF-MRVPVSSYSA-N	-1	3	214.265	0.877	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000100387183	574417866	/nfs/dbraw/zinc/41/78/66/574417866.db2.gz	AMRJKKZGVMUTAE-QYNIQEEDSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CSCC[C@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100387549	574418003	/nfs/dbraw/zinc/41/80/03/574418003.db2.gz	QBYJQSQFZTTYNR-LURJTMIESA-N	-1	3	220.294	0.488	1	0	endogenous,in-vitro	BCAFHM
CCOC(=O)C(Cl)=Cc1cc(=O)[n-]c(=O)[nH]1	ZINC000027524409	170182525	/nfs/dbraw/zinc/18/25/25/170182525.db2.gz	FBTVGKXKVNLZTO-ZZXKWVIFSA-N	-1	3	244.634	0.206	1	0		BCAFHM
COc1ccc2c(c1)CC[C@]21NC(=O)[N-]C1=O	ZINC000026481511	175210231	/nfs/dbraw/zinc/21/02/31/175210231.db2.gz	DYOXBLFAQZEZNZ-LBPRGKRZSA-N	-1	3	232.239	0.676	1	0		BCAFHM
COc1ccc2c(c1)[C@@]1(CCO2)NC(=O)[N-]C1=O	ZINC000026498982	175215396	/nfs/dbraw/zinc/21/53/96/175215396.db2.gz	PFCZBBPQBWEUOH-GFCCVEGCSA-N	-1	3	248.238	0.512	1	0		BCAFHM
CSCC[C@H](N)C(=O)NCC(=O)[O-]	ZINC000100387588	574418005	/nfs/dbraw/zinc/41/80/05/574418005.db2.gz	BYWKBQCELLGCBT-YFKPBYRVSA-N	-1	3	206.267	0.098	1	0	endogenous,in-vitro	BCAFHM
CC(C)Cn1c(=O)[n-]c(=O)c2nccnc21	ZINC000028001534	187255792	/nfs/dbraw/zinc/25/57/92/187255792.db2.gz	RLDUCQJMRMBIOI-UHFFFAOYSA-N	-1	3	220.232	0.548	1	0		BCAFHM
NC(=O)C[C@H]1C(=O)Nc2cccc([O-])c21	ZINC000084710067	181244613	/nfs/dbraw/zinc/24/46/13/181244613.db2.gz	HQYXWMMNGCCJDD-RXMQYKEDSA-N	-1	3	206.201	0.303	1	0		BCAFHM
NC(=O)c1ccccc1Oc1ccc(=O)[n-]n1	ZINC000103209697	181306755	/nfs/dbraw/zinc/30/67/55/181306755.db2.gz	ZXTBYGRNPOWTIY-UHFFFAOYSA-N	-1	3	231.211	0.661	1	0		BCAFHM
O=c1[nH]oc2cc(CCc3nnn[n-]3)ccc21	ZINC000169348046	183310279	/nfs/dbraw/zinc/31/02/79/183310279.db2.gz	UYGMCOJDLBGYEQ-UHFFFAOYSA-N	-1	3	231.215	0.832	1	0		BCAFHM
O=c1[nH]oc2cc(CCc3nn[n-]n3)ccc21	ZINC000169348046	183310280	/nfs/dbraw/zinc/31/02/80/183310280.db2.gz	UYGMCOJDLBGYEQ-UHFFFAOYSA-N	-1	3	231.215	0.832	1	0		BCAFHM
CCN1C[N-]S(=O)(=O)c2cc(F)cnc21	ZINC000040847567	132348681	/nfs/dbraw/zinc/34/86/81/132348681.db2.gz	CYUUOEJKFMKYRM-UHFFFAOYSA-N	-1	3	231.252	0.296	1	0		BCAFHM
CNC(=O)[C@@H](N)CCSCCCCC(=O)[O-]	ZINC000096928960	173296552	/nfs/dbraw/zinc/29/65/52/173296552.db2.gz	WMYWYSUOFDZKQT-QMMMGPOBSA-N	-1	3	248.348	0.438	1	0		BCAFHM
CNC(=O)[C@H](N)CCSCCCCC(=O)[O-]	ZINC000096928959	173304869	/nfs/dbraw/zinc/30/48/69/173304869.db2.gz	WMYWYSUOFDZKQT-MRVPVSSYSA-N	-1	3	248.348	0.438	1	0		BCAFHM
CC[C@@H](C)C(NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000069486210	574415684	/nfs/dbraw/zinc/41/56/84/574415684.db2.gz	KKNSFNYPKNFVJM-PHDIDXHHSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
Cc1cc2c(n1C)CCC[C@@]21NC(=O)[N-]C1=O	ZINC000026496129	178293305	/nfs/dbraw/zinc/29/33/05/178293305.db2.gz	MWHRMRGWEGREOL-GFCCVEGCSA-N	-1	3	233.271	0.705	1	0		BCAFHM
CC[C@H](C)[C@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000100387193	574417858	/nfs/dbraw/zinc/41/78/58/574417858.db2.gz	AMRJKKZGVMUTAE-ACZMJKKPSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)[C@H](C)CC)C(=O)[O-]	ZINC000069485893	574048885	/nfs/dbraw/zinc/04/88/85/574048885.db2.gz	BCVIOZZGJNOEQS-DOLQZWNJSA-N	-1	3	244.335	0.975	1	0	endogenous,in-vitro	BCAFHM
CC(NC(=O)[C@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487616	574416104	/nfs/dbraw/zinc/41/61/04/574416104.db2.gz	DZYVHTRXWXUNOS-SNVBAGLBSA-N	-1	3	236.271	0.978	1	0	endogenous,in-vitro	BCAFHM
O=c1nc([O-])sc(Cc2cccnc2)n1	ZINC000027548255	183010272	/nfs/dbraw/zinc/01/02/72/183010272.db2.gz	OREGPVDUZIESDA-UHFFFAOYSA-N	-1	3	221.241	0.177	1	0		BCAFHM
O=c1nc(Cc2cccnc2)sc(=O)[n-]1	ZINC000027548255	183010274	/nfs/dbraw/zinc/01/02/74/183010274.db2.gz	OREGPVDUZIESDA-UHFFFAOYSA-N	-1	3	221.241	0.177	1	0		BCAFHM
O=c1nc([O-])nc(Cc2cccnc2)s1	ZINC000027548255	183010275	/nfs/dbraw/zinc/01/02/75/183010275.db2.gz	OREGPVDUZIESDA-UHFFFAOYSA-N	-1	3	221.241	0.177	1	0		BCAFHM
NCC(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000069486931	574415904	/nfs/dbraw/zinc/41/59/04/574415904.db2.gz	HTKJHAXHDXSVDI-UHFFFAOYSA-N	-1	3	222.244	0.589	1	0	endogenous,in-vitro	BCAFHM
CC[C@H](C)[C@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000100387190	574417868	/nfs/dbraw/zinc/41/78/68/574417868.db2.gz	AMRJKKZGVMUTAE-XVMARJQXSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
Cc1cccc(CNc2cc(=O)[n-]c(=O)[nH]2)c1	ZINC000169343219	179102069	/nfs/dbraw/zinc/10/20/69/179102069.db2.gz	GWAZIFHGTWWXCM-UHFFFAOYSA-N	-1	3	231.255	0.984	1	0		BCAFHM
O=C1[N-]C(=O)[C@]2(CCc3cc4c(cc32)OCO4)N1	ZINC000026493194	182794396	/nfs/dbraw/zinc/79/43/96/182794396.db2.gz	VRWLKAXHAFPEHR-GFCCVEGCSA-N	-1	3	246.222	0.396	1	0		BCAFHM
O=c1oc(CO)c(CO)c2cc([O-])cc(O)c12	ZINC000095589495	183012511	/nfs/dbraw/zinc/01/25/11/183012511.db2.gz	BMXXWGOJVOYVJX-UHFFFAOYSA-N	-1	3	238.195	0.189	1	0		BCAFHM
COc1ccc(-c2c[nH]c(=O)[n-]c2=O)cc1OC	ZINC000000481008	175030106	/nfs/dbraw/zinc/03/01/06/175030106.db2.gz	VNMOFKAMZFOUMC-UHFFFAOYSA-N	-1	3	248.238	0.747	3	0		BCAFHM
CC[C@H](C)C(NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000069486213	574415660	/nfs/dbraw/zinc/41/56/60/574415660.db2.gz	KKNSFNYPKNFVJM-NTSWFWBYSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CC(C)CC(NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000069486221	571774329	/nfs/dbraw/zinc/77/43/29/571774329.db2.gz	UQNOZFPHQKHBCN-ZCFIWIBFSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
O=c1[n-]c(=O)c2nn(-c3ccccc3)cc2[nH]1	ZINC000045315699	187269767	/nfs/dbraw/zinc/26/97/67/187269767.db2.gz	KFZIPDBORAJIAS-UHFFFAOYSA-N	-1	3	228.211	0.814	1	0		BCAFHM
C[C@@H]1Cc2[nH]c(=O)c([O-])cc(=O)c2C[C@@H]1C	ZINC000013605945	177388087	/nfs/dbraw/zinc/38/80/87/177388087.db2.gz	OMKQPWYZQMJAGE-NKWVEPMBSA-N	-1	3	221.256	0.812	1	0		BCAFHM
C[C@@H]1Cc2[nH]c(=O)c(=O)cc([O-])c2C[C@@H]1C	ZINC000013605945	177388088	/nfs/dbraw/zinc/38/80/88/177388088.db2.gz	OMKQPWYZQMJAGE-NKWVEPMBSA-N	-1	3	221.256	0.812	1	0		BCAFHM
CC(C)C[C@@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000069487275	574416002	/nfs/dbraw/zinc/41/60/02/574416002.db2.gz	CDMGJDKMMRMFAU-SSDOTTSWSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CC(C)C[C@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000069487373	574416082	/nfs/dbraw/zinc/41/60/82/574416082.db2.gz	RXEZGYNSRRXKTR-BQBZGAKWSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100386955	574417744	/nfs/dbraw/zinc/41/77/44/574417744.db2.gz	LIAIKPXYKFUKSD-IYSWYEEDSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CSCC[C@@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100387547	574418001	/nfs/dbraw/zinc/41/80/01/574418001.db2.gz	QBYJQSQFZTTYNR-ZCFIWIBFSA-N	-1	3	220.294	0.488	1	0	endogenous,in-vitro	BCAFHM
O=C([O-])[C@@H]1CN2CC(Br)=CC=C2N1	ZINC000306121625	136225619	/nfs/dbraw/zinc/22/56/19/136225619.db2.gz	JBJLPTBCDWLICV-LURJTMIESA-N	-1	3	245.076	0.479	2	0		BCAFHM
N=C(N)NC(=O)c1cc(=O)c2cc(F)ccc2[n-]1	ZINC000029479647	181189692	/nfs/dbraw/zinc/18/96/92/181189692.db2.gz	BXXJKUWYBGWGAQ-UHFFFAOYSA-N	-1	3	248.217	0.703	1	0		BCAFHM
NCC(=O)NC(Cc1ccc(O)cc1)C(=O)[O-]	ZINC000069486947	574415920	/nfs/dbraw/zinc/41/59/20/574415920.db2.gz	FTDJSPLZQBOVCK-UHFFFAOYSA-N	-1	3	238.243	0.295	1	0	endogenous,in-vitro	BCAFHM
CCO[C@]([O-])(c1cccnc1)C(F)(F)CO	ZINC000205484738	398273544	/nfs/dbraw/zinc/27/35/44/398273544.db2.gz	CCSQNZRFQDXTQP-SNVBAGLBSA-N	-1	3	233.214	0.891	2	0		BCAFHM
NC(=O)c1cc2ccccc2o/c1=N/[O-]	ZINC000101437889	181292066	/nfs/dbraw/zinc/29/20/66/181292066.db2.gz	UOBXYGAKWAHOFH-ZRDIBKRKSA-N	-1	3	204.185	0.822	1	0		BCAFHM
COc1ccc(NCc2c[nH]c(=O)[n-]c2=O)cc1	ZINC000039194009	175151822	/nfs/dbraw/zinc/15/18/22/175151822.db2.gz	KWOKTPFARAYLHF-UHFFFAOYSA-N	-1	3	247.254	0.684	1	0		BCAFHM
C[C@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100385833	574417280	/nfs/dbraw/zinc/41/72/80/574417280.db2.gz	PSJROFVYGMIALZ-QMMMGPOBSA-N	-1	3	236.271	0.978	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000100387172	574417878	/nfs/dbraw/zinc/41/78/78/574417878.db2.gz	AMRJKKZGVMUTAE-FSDSQADBSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000100387187	574417892	/nfs/dbraw/zinc/41/78/92/574417892.db2.gz	AMRJKKZGVMUTAE-VQVTYTSYSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CCO[C@@]([O-])(c1cccnc1)C(F)(F)CO	ZINC000205484724	398273676	/nfs/dbraw/zinc/27/36/76/398273676.db2.gz	CCSQNZRFQDXTQP-JTQLQIEISA-N	-1	3	233.214	0.891	2	0		BCAFHM
O=C(CSc1ncns1)[N-]Cl	ZINC000205431674	348517128	/nfs/dbraw/zinc/51/71/28/348517128.db2.gz	OJFVVWDGAAVFFS-UHFFFAOYSA-N	-1	3	209.683	0.900	2	0		BCAFHM
CNC(=O)[C@@H](Cc1ccccc1)CN([O-])C=O	ZINC000013478891	173296476	/nfs/dbraw/zinc/29/64/76/173296476.db2.gz	MPMRMCPMVCKAFF-NSHDSACASA-N	-1	3	236.271	0.439	1	0		BCAFHM
CC(C)C[C@@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000069487366	574416044	/nfs/dbraw/zinc/41/60/44/574416044.db2.gz	RXEZGYNSRRXKTR-RNFRBKRXSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC(C)[C@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069488442	574416360	/nfs/dbraw/zinc/41/63/60/574416360.db2.gz	OKVMDXQTTOXOHF-QMMMGPOBSA-N	-1	3	214.265	0.877	1	0	endogenous,in-vitro	BCAFHM
CC1=CC[C@H](Nc2cc(=O)[n-]c(=O)[nH]2)C=C1	ZINC000049110285	168121228	/nfs/dbraw/zinc/12/12/28/168121228.db2.gz	FGJUTFZGZRUASJ-MRVPVSSYSA-N	-1	3	219.244	0.750	1	0		BCAFHM
COc1ccc2c(c1)CC[C@@]21NC(=O)[N-]C1=O	ZINC000026481504	175210033	/nfs/dbraw/zinc/21/00/33/175210033.db2.gz	DYOXBLFAQZEZNZ-GFCCVEGCSA-N	-1	3	232.239	0.676	1	0		BCAFHM
CC[C@H](C)[C@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100386964	574417720	/nfs/dbraw/zinc/41/77/20/574417720.db2.gz	LIAIKPXYKFUKSD-FSPLSTOPSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CC(=O)N1C(=O)[N-]C(=O)[C@]1(C)c1ccco1	ZINC000001702076	188097118	/nfs/dbraw/zinc/09/71/18/188097118.db2.gz	IIVIMVJGBKYBGD-JTQLQIEISA-N	-1	3	222.200	0.593	1	0		BCAFHM
CCc1cc2c([n-]c(CC(N)=O)nc2=O)s1	ZINC000013555403	171775282	/nfs/dbraw/zinc/77/52/82/171775282.db2.gz	KRMKXZJHJJPQRG-UHFFFAOYSA-N	-1	3	237.284	0.575	3	0		BCAFHM
C[C@@H]1COc2cccc(F)c2S(=O)(=O)[N-]1	ZINC000072139936	176348229	/nfs/dbraw/zinc/34/82/29/176348229.db2.gz	HSPGLAGKFCAEDZ-ZCFIWIBFSA-N	-1	3	231.248	0.885	1	0		BCAFHM
CSCC[C@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487589	571776999	/nfs/dbraw/zinc/77/69/99/571776999.db2.gz	UYOBMDFRFXAYFR-ZETCQYMHSA-N	-1	3	246.332	0.974	1	0	endogenous,in-vitro	BCAFHM
CC(NC(=O)[C@@H](N)Cc1ccccc1)C(=O)[O-]	ZINC000069487618	574416118	/nfs/dbraw/zinc/41/61/18/574416118.db2.gz	DZYVHTRXWXUNOS-JTQLQIEISA-N	-1	3	236.271	0.978	1	0	endogenous,in-vitro	BCAFHM
Cn1nc(C([O-])(O)Cl)c2ccccc21	ZINC000205410174	348511023	/nfs/dbraw/zinc/51/10/23/348511023.db2.gz	CXVFQEKGZOYRHE-UHFFFAOYSA-N	-1	3	212.636	0.907	2	0		BCAFHM
CCN1C[N-]S(=O)(=O)c2cc(Cl)cnc21	ZINC000040847002	132348661	/nfs/dbraw/zinc/34/86/61/132348661.db2.gz	IZQBALPMHRIRHP-UHFFFAOYSA-N	-1	3	247.707	0.811	1	0		BCAFHM
C[C@H]1Cc2[nH]c(=O)c([O-])cc(=O)c2C[C@@H]1C	ZINC000013605947	177388053	/nfs/dbraw/zinc/38/80/53/177388053.db2.gz	OMKQPWYZQMJAGE-BQBZGAKWSA-N	-1	3	221.256	0.812	1	0		BCAFHM
C[C@H]1Cc2[nH]c(=O)c(=O)cc([O-])c2C[C@@H]1C	ZINC000013605947	177388054	/nfs/dbraw/zinc/38/80/54/177388054.db2.gz	OMKQPWYZQMJAGE-BQBZGAKWSA-N	-1	3	221.256	0.812	1	0		BCAFHM
C[C@@H]1Cc2c([nH]c(=O)c([O-])cc2=O)C[C@@H]1C	ZINC000013605950	177388063	/nfs/dbraw/zinc/38/80/63/177388063.db2.gz	OMKQPWYZQMJAGE-RQJHMYQMSA-N	-1	3	221.256	0.812	1	0		BCAFHM
C[C@@H]1Cc2c([nH]c(=O)c(=O)cc2[O-])C[C@@H]1C	ZINC000013605950	177388064	/nfs/dbraw/zinc/38/80/64/177388064.db2.gz	OMKQPWYZQMJAGE-RQJHMYQMSA-N	-1	3	221.256	0.812	1	0		BCAFHM
CC[C@H](C)C(NC(=O)[C@H](C)N)C(=O)[O-]	ZINC000069486217	574415668	/nfs/dbraw/zinc/41/56/68/574415668.db2.gz	KKNSFNYPKNFVJM-WDSKDSINSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CSCC[C@@H](N)C(=O)NCC(=O)[O-]	ZINC000100387586	571808420	/nfs/dbraw/zinc/80/84/20/571808420.db2.gz	BYWKBQCELLGCBT-RXMQYKEDSA-N	-1	3	206.267	0.098	1	0	endogenous,in-vitro	BCAFHM
CC(C)CC(NC(=O)[C@H](C)N)C(=O)[O-]	ZINC000069486225	574415696	/nfs/dbraw/zinc/41/56/96/574415696.db2.gz	UQNOZFPHQKHBCN-LURJTMIESA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
N[C@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000069487654	574416156	/nfs/dbraw/zinc/41/61/56/574416156.db2.gz	XKWTVALPLKAQOC-SECBINFHSA-N	-1	3	222.244	0.588	1	0	endogenous,in-vitro	BCAFHM
N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	ZINC000069488300	574416346	/nfs/dbraw/zinc/41/63/46/574416346.db2.gz	IHCHVOFGTXZNNE-VIFPVBQESA-N	-1	3	238.243	0.293	1	0	endogenous,in-vitro	BCAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])[C@@H](C)O	ZINC000100387178	574417884	/nfs/dbraw/zinc/41/78/84/574417884.db2.gz	AMRJKKZGVMUTAE-RRKCRQDMSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100386962	574417757	/nfs/dbraw/zinc/41/77/57/574417757.db2.gz	LIAIKPXYKFUKSD-VDTYLAMSSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000069487656	571777424	/nfs/dbraw/zinc/77/74/24/571777424.db2.gz	XKWTVALPLKAQOC-VIFPVBQESA-N	-1	3	222.244	0.588	1	0	endogenous,in-vitro	BCAFHM
Cc1cccc(NCc2c[nH]c(=O)[n-]c2=O)c1	ZINC000169335206	179148377	/nfs/dbraw/zinc/14/83/77/179148377.db2.gz	XPDZFSYTANXFKQ-UHFFFAOYSA-N	-1	3	231.255	0.984	1	0		BCAFHM
CN1C[N-]S(=O)(=O)c2cc(Cl)cnc21	ZINC000040847569	132348500	/nfs/dbraw/zinc/34/85/00/132348500.db2.gz	MJGSENCDWCPGNA-UHFFFAOYSA-N	-1	3	233.680	0.421	1	0		BCAFHM
CC1=CC[C@@H](Nc2cc(=O)[n-]c(=O)[nH]2)C=C1	ZINC000049110287	168118748	/nfs/dbraw/zinc/11/87/48/168118748.db2.gz	FGJUTFZGZRUASJ-QMMMGPOBSA-N	-1	3	219.244	0.750	1	0		BCAFHM
CNC(=O)[C@H](Cc1ccccc1)CN([O-])C=O	ZINC000013478889	173304867	/nfs/dbraw/zinc/30/48/67/173304867.db2.gz	MPMRMCPMVCKAFF-LLVKDONJSA-N	-1	3	236.271	0.439	1	0		BCAFHM
CC(C)C[C@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000069487276	574416000	/nfs/dbraw/zinc/41/60/00/574416000.db2.gz	CDMGJDKMMRMFAU-ZETCQYMHSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CSCCC(NC(=O)[C@@H](C)N)C(=O)[O-]	ZINC000100385825	574417276	/nfs/dbraw/zinc/41/72/76/574417276.db2.gz	SGUOGGPCQSHBHV-RXMQYKEDSA-N	-1	3	220.294	0.488	1	0	endogenous,in-vitro	BCAFHM
N[C@H](Cc1ccc(O)cc1)C(=O)NCC(=O)[O-]	ZINC000069488297	574416342	/nfs/dbraw/zinc/41/63/42/574416342.db2.gz	IHCHVOFGTXZNNE-SECBINFHSA-N	-1	3	238.243	0.293	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000100387175	574417870	/nfs/dbraw/zinc/41/78/70/574417870.db2.gz	AMRJKKZGVMUTAE-DSYKOEDSSA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(C(=O)[O-])[C@H](C)O	ZINC000100387181	574417890	/nfs/dbraw/zinc/41/78/90/574417890.db2.gz	AMRJKKZGVMUTAE-LYFYHCNISA-N	-1	3	232.280	0.142	1	0	endogenous,in-vitro	BCAFHM
O=C([O-])[C@H]1CN2CC(Br)=CC=C2N1	ZINC000306121626	136225648	/nfs/dbraw/zinc/22/56/48/136225648.db2.gz	JBJLPTBCDWLICV-ZCFIWIBFSA-N	-1	3	245.076	0.479	2	0		BCAFHM
Cc1cc2c(n1C)CCC[C@]21NC(=O)[N-]C1=O	ZINC000026496135	178293430	/nfs/dbraw/zinc/29/34/30/178293430.db2.gz	MWHRMRGWEGREOL-LBPRGKRZSA-N	-1	3	233.271	0.705	1	0		BCAFHM
NC(=O)[C@@H](N)CCSCCCCC(=O)[O-]	ZINC000096928957	181265109	/nfs/dbraw/zinc/26/51/09/181265109.db2.gz	JLAHMJSYOILVSM-ZETCQYMHSA-N	-1	3	234.321	0.177	1	0		BCAFHM
NC(=O)[C@H](N)CCSCCCCC(=O)[O-]	ZINC000096928958	181277158	/nfs/dbraw/zinc/27/71/58/181277158.db2.gz	JLAHMJSYOILVSM-SSDOTTSWSA-N	-1	3	234.321	0.177	1	0		BCAFHM
CNC(=O)c1ccc(C(=O)[O-])cc1NC(=N)N	ZINC000003591737	173310571	/nfs/dbraw/zinc/31/05/71/173310571.db2.gz	BXEJVSHCAXSLIH-UHFFFAOYSA-N	-1	3	236.231	0.050	1	0		BCAFHM
COc1ccc2c(c1)[C@]1(CCO2)NC(=O)[N-]C1=O	ZINC000026498986	175217531	/nfs/dbraw/zinc/21/75/31/175217531.db2.gz	PFCZBBPQBWEUOH-LBPRGKRZSA-N	-1	3	248.238	0.512	1	0		BCAFHM
CC[C@@H](C)[C@@H](N)C(=O)N[C@H](C(=O)[O-])[C@H](C)CC	ZINC000069485890	574048887	/nfs/dbraw/zinc/04/88/87/574048887.db2.gz	BCVIOZZGJNOEQS-KYXWUPHJSA-N	-1	3	244.335	0.975	1	0	endogenous,in-vitro	BCAFHM
CC[C@@H](C)C(NC(=O)[C@H](C)N)C(=O)[O-]	ZINC000069486215	574415694	/nfs/dbraw/zinc/41/56/94/574415694.db2.gz	KKNSFNYPKNFVJM-RITPCOANSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CC[C@H](C)[C@@H](N)C(=O)NC(C)C(=O)[O-]	ZINC000100386959	574417728	/nfs/dbraw/zinc/41/77/28/574417728.db2.gz	LIAIKPXYKFUKSD-CAHLUQPWSA-N	-1	3	202.254	0.781	1	0	endogenous,in-vitro	BCAFHM
CC(=O)OCCN[C@H]1CCCc2o[n-]c(=O)c21	ZINC000013803360	188105821	/nfs/dbraw/zinc/10/58/21/188105821.db2.gz	YQMGUDBTCMLBJG-QMMMGPOBSA-N	-1	3	240.259	0.498	1	0		BCAFHM
Nc1nc([O-])cn1C(=O)OCc1ccccc1	ZINC000029546303	181338545	/nfs/dbraw/zinc/33/85/45/181338545.db2.gz	SCVMCFNJVXZGKM-UHFFFAOYSA-N	-1	3	233.227	0.480	1	0		BCAFHM
C[C@@H](N)C(=O)NC(Cc1ccccc1)C(=O)[O-]	ZINC000100385831	571803380	/nfs/dbraw/zinc/80/33/80/571803380.db2.gz	PSJROFVYGMIALZ-MRVPVSSYSA-N	-1	3	236.271	0.978	1	0	endogenous,in-vitro	BCAFHM
CSCC[C@@H](N)C(=O)N1CCCC1C(=O)[O-]	ZINC000069487585	574416098	/nfs/dbraw/zinc/41/60/98/574416098.db2.gz	UYOBMDFRFXAYFR-SSDOTTSWSA-N	-1	3	246.332	0.974	1	0	endogenous,in-vitro	BCAFHM