smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)c(CC(=O)[O-])c1	ZINC000578765113	974861216	/nfs/dbraw/zinc/86/12/16/974861216.db2.gz	HJBIDHNPEKOEPF-KBRIMQKVSA-N	-1	0	383.466	1.804	40	0		GDABRM
O=C([O-])COc1c(Cl)cc(/C=C2\NC(=O)NC2=O)cc1Br	ZINC000002099745	530532283	/nfs/dbraw/zinc/53/22/83/530532283.db2.gz	LKBKUNKMKALYEW-BAQGIRSFSA-N	-1	0	375.562	1.746	40	0		GDABRM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000021010320	530570128	/nfs/dbraw/zinc/57/01/28/530570128.db2.gz	GIFPPHKBDRGART-CQSZACIVSA-N	-1	0	387.458	1.799	40	0		GDABRM
Cn1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)n1	ZINC000002764850	203961152	/nfs/dbraw/zinc/96/11/52/203961152.db2.gz	QOHTXFIQIYWDSP-UHFFFAOYSA-N	-1	0	392.828	1.917	40	0		GDABRM
COCCNC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)CCC(=O)[O-])C=C1C	ZINC000035442606	204220533	/nfs/dbraw/zinc/22/05/33/204220533.db2.gz	RWYKXJFMVSFUCB-ULQDDVLXSA-N	-1	0	382.501	1.975	40	0	biogenic,in-vitro	GDABRM
CCOC(=O)N1CCN([C@@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)CC1	ZINC000036634000	205020242	/nfs/dbraw/zinc/02/02/42/205020242.db2.gz	BEFIQFDSMHEGTJ-OAHLLOKOSA-N	-1	0	389.408	1.099	40	0		GDABRM
CN(C)S(=O)(=O)c1ccc(CCc2nc(N)cc(SCC(=O)[O-])n2)cc1	ZINC000049470255	205128232	/nfs/dbraw/zinc/12/82/32/205128232.db2.gz	FBGXSXKJPGJNKL-UHFFFAOYSA-N	-1	0	396.494	1.271	40	0		GDABRM
CCc1ccc(CCOc2ccc(C[C@@H](C(N)=O)S(=O)(=O)[O-])cc2)nc1	ZINC000067665310	205253003	/nfs/dbraw/zinc/25/30/03/205253003.db2.gz	GKXIVIFUPLEQLN-KRWDZBQOSA-N	-1	0	378.450	1.550	40	0	in-vitro	GDABRM
Cc1cc(=O)n2[n-]cc(C(=O)N3CCN(Cc4ccco4)C[C@@H]3C(C)C)c2n1	ZINC000072324120	205324756	/nfs/dbraw/zinc/32/47/56/205324756.db2.gz	NPMBSIKLKMYLSY-QGZVFWFLSA-N	-1	0	383.452	1.907	40	0		GDABRM
COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000223669556	206004992	/nfs/dbraw/zinc/00/49/92/206004992.db2.gz	RGBWEHKAEYRGQW-UHFFFAOYSA-N	-1	0	383.447	1.986	40	0		GDABRM
CCCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000224102213	206012939	/nfs/dbraw/zinc/01/29/39/206012939.db2.gz	SUUZCYRGWRUEKK-UHFFFAOYSA-N	-1	0	397.482	1.827	40	0		GDABRM
Cc1cccc(OCC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000225125106	206037032	/nfs/dbraw/zinc/03/70/32/206037032.db2.gz	SGOLCUNYVMNSOU-UHFFFAOYSA-N	-1	0	384.483	1.798	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257320020	206178308	/nfs/dbraw/zinc/17/83/08/206178308.db2.gz	VVAKENYWPBULJA-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
COc1cc2c(cc1[N-]S(C)(=O)=O)c1c(n2S(C)(=O)=O)CCCC1=O	ZINC000004945007	206214910	/nfs/dbraw/zinc/21/49/10/206214910.db2.gz	OWXXJGFZNUAQAR-UHFFFAOYSA-N	-1	0	386.451	1.348	40	0		GDABRM
CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1ccc(F)c(F)c1	ZINC000224347625	136206942	/nfs/dbraw/zinc/20/69/42/136206942.db2.gz	TWUGJZVBNGVQEI-UHFFFAOYSA-N	-1	0	399.423	1.458	40	0		GDABRM
O=C([O-])CN1CCN([C@H](CS(=O)(=O)c2ccccc2)c2ccccc2)CC1	ZINC000073633187	222271352	/nfs/dbraw/zinc/27/13/52/222271352.db2.gz	WOLJXWFXXYEEEC-LJQANCHMSA-N	-1	0	388.489	1.904	40	0		GDABRM
Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000213025761	570424450	/nfs/dbraw/zinc/42/44/50/570424450.db2.gz	VRKBGORHURMANH-LBPRGKRZSA-O	-1	0	383.453	1.832	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)s1	ZINC000223150771	570447147	/nfs/dbraw/zinc/44/71/47/570447147.db2.gz	MKZWKKIHBXZYTH-UHFFFAOYSA-N	-1	0	394.438	1.415	40	0		GDABRM
Cc1nc([N-]S(=O)(=O)c2cc3oc(=O)[nH]c3cc2C)sc1C(=O)N(C)C	ZINC000223323079	570458496	/nfs/dbraw/zinc/45/84/96/570458496.db2.gz	HRFUWECQJKVTJG-UHFFFAOYSA-N	-1	0	396.450	1.697	40	0		GDABRM
CCOc1cccc(/C=C2\SC(=O)N(CC(=O)OC)C2=O)c1OCC(=O)[O-]	ZINC000006964996	570754195	/nfs/dbraw/zinc/75/41/95/570754195.db2.gz	HPNHLLPMYLDATF-GHXNOFRVSA-N	-1	0	395.389	1.758	40	0		GDABRM
CC(=O)N1CCCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000019017248	570954541	/nfs/dbraw/zinc/95/45/41/570954541.db2.gz	JSMGWPSQRBVYKI-QGZVFWFLSA-N	-1	0	383.452	1.803	40	0		GDABRM
Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000019143049	570958924	/nfs/dbraw/zinc/95/89/24/570958924.db2.gz	XVYGLIKZZZCIQR-YOEHRIQHSA-N	-1	0	378.340	1.820	40	0		GDABRM
O=C([O-])c1cccc(CC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000262149208	961500304	/nfs/dbraw/zinc/50/03/04/961500304.db2.gz	JHNCCBYMDKYTAS-JKSUJKDBSA-N	-1	0	381.450	1.122	40	0		GDABRM
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013070926	530558236	/nfs/dbraw/zinc/55/82/36/530558236.db2.gz	KQWDFBBIRMNHPH-LLVKDONJSA-N	-1	0	395.886	1.626	40	0		GDABRM
CN1CCN(c2c(F)c(N)c3c(=O)c(C(=O)[O-])cn(C4CC4)c3c2F)CC1	ZINC000004358557	204041206	/nfs/dbraw/zinc/04/12/06/204041206.db2.gz	VSPMPXLOUWFGBD-UHFFFAOYSA-N	-1	0	378.379	1.647	40	0		GDABRM
COc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c(OC)c1	ZINC000004732766	204068919	/nfs/dbraw/zinc/06/89/19/204068919.db2.gz	NBGIYSBAWKMTAX-UHFFFAOYSA-N	-1	0	377.378	1.034	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000006741050	204198572	/nfs/dbraw/zinc/19/85/72/204198572.db2.gz	WGOLIZUAAFLXMG-PDWMJMLSSA-N	-1	0	386.448	1.806	40	0		GDABRM
CCS(=O)(=O)c1ccc2oc([C@H]3CCN(C(=O)CCC(=O)[O-])C3)nc2c1	ZINC000035442888	204226000	/nfs/dbraw/zinc/22/60/00/204226000.db2.gz	KPGXKSLDMRUNRE-NSHDSACASA-N	-1	0	380.422	1.802	40	0	biogenic,in-vitro	GDABRM
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccs2)[C@H](C(=O)[O-])C1	ZINC000038623188	205037880	/nfs/dbraw/zinc/03/78/80/205037880.db2.gz	WACVAYWBRJVJPJ-JTQLQIEISA-N	-1	0	376.456	1.443	40	0		GDABRM
COc1ccc([C@@H]2CN(C(=O)Cn3nnc4ccccc43)C[C@H]2C(=O)[O-])cc1	ZINC000072346897	205329498	/nfs/dbraw/zinc/32/94/98/205329498.db2.gz	MJGRXZQMDUJRGE-JKSUJKDBSA-N	-1	0	380.404	1.767	40	0		GDABRM
CC(=O)Nc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc1	ZINC000224894878	206030782	/nfs/dbraw/zinc/03/07/82/206030782.db2.gz	WDWWSPKAEAZDCG-UHFFFAOYSA-N	-1	0	392.389	1.654	40	0		GDABRM
Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])c(=O)[nH]3)C2)cc1	ZINC000224968839	206032001	/nfs/dbraw/zinc/03/20/01/206032001.db2.gz	HEYVZAGWMLEZSN-GFCCVEGCSA-N	-1	0	377.422	1.345	40	0		GDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(N)=O)s1	ZINC000225766857	206074739	/nfs/dbraw/zinc/07/47/39/206074739.db2.gz	ZFWBRLINVCQRDJ-UHFFFAOYSA-N	-1	0	383.455	1.422	40	0		GDABRM
O=C(N[C@@H]1CC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(Br)c1[O-]	ZINC000257318736	206177899	/nfs/dbraw/zinc/17/78/99/206177899.db2.gz	VPEHFMFYONGHAJ-UMVBOHGHSA-N	-1	0	385.258	1.109	40	0		GDABRM
C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(N)=O	ZINC000299817123	206193006	/nfs/dbraw/zinc/19/30/06/206193006.db2.gz	DQRRHTCQQGYUSD-MLGOLLRUSA-N	-1	0	386.452	1.921	40	0	in-vitro	GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCOCc2ccccc2)s1	ZINC000225146962	527550535	/nfs/dbraw/zinc/55/05/35/527550535.db2.gz	MXLHIGOMZZBTKN-UHFFFAOYSA-N	-1	0	384.483	1.628	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1OC	ZINC000408588533	528195036	/nfs/dbraw/zinc/19/50/36/528195036.db2.gz	BTAKCXZMJXQWKA-ONNFQVAWSA-N	-1	0	399.197	1.834	40	0		GDABRM
CCOc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1O	ZINC000408591844	528202831	/nfs/dbraw/zinc/20/28/31/528202831.db2.gz	KTYHDIVVAHSQCE-RUDMXATFSA-N	-1	0	385.170	1.531	40	0		GDABRM
CCc1ccc(CN2CCN([C@@H]3CCCCN(CC(=O)[O-])C3=O)CC2)s1	ZINC000643874980	570671697	/nfs/dbraw/zinc/67/16/97/570671697.db2.gz	IAXTUAUTIHRUED-QGZVFWFLSA-N	-1	0	379.526	1.894	40	0		GDABRM
CCCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588226235	570744870	/nfs/dbraw/zinc/74/48/70/570744870.db2.gz	LKZNPJASPRLDSB-SFHVURJKSA-N	-1	0	378.457	1.483	40	0		GDABRM
CC(C)C[C@H](NS(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CCC2)C(=O)[O-]	ZINC000484603254	968384630	/nfs/dbraw/zinc/38/46/30/968384630.db2.gz	OVMNGMVSFBEHRP-HNNXBMFYSA-N	-1	0	380.466	1.690	40	0		GDABRM
COC(=O)CSc1nn2c([n-]1)nc(CSc1nccc(C)n1)cc2=O	ZINC000009936009	530551709	/nfs/dbraw/zinc/55/17/09/530551709.db2.gz	JTVZNQKDBZKWBX-UHFFFAOYSA-N	-1	0	378.439	1.073	40	0		GDABRM
Cc1ccc(NC(=O)CN2C(=O)S[C@@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000101375834	530823729	/nfs/dbraw/zinc/82/37/29/530823729.db2.gz	QPNDQUCAYYKUMS-QWRGUYRKSA-N	-1	0	379.419	1.349	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575424466	532014027	/nfs/dbraw/zinc/01/40/27/532014027.db2.gz	LLKLMFLVCKZTTO-CQSZACIVSA-N	-1	0	389.495	1.346	40	0		GDABRM
Cc1ccc(NC(=O)CN2C(=O)S[C@@H]([C@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000065090486	205211100	/nfs/dbraw/zinc/21/11/00/205211100.db2.gz	QPNDQUCAYYKUMS-MNOVXSKESA-N	-1	0	379.419	1.349	40	0		GDABRM
CC(C)(C)OC(=O)CCOCCOCCOCCOCCOCCC(=O)[O-]	ZINC000071257142	205278605	/nfs/dbraw/zinc/27/86/05/205278605.db2.gz	ILIIUHKWCBCCNI-UHFFFAOYSA-N	-1	0	394.461	1.276	40	0		GDABRM
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1	ZINC000223673637	206004409	/nfs/dbraw/zinc/00/44/09/206004409.db2.gz	NPPCUDAWWAGYBO-UHFFFAOYSA-N	-1	0	385.445	1.885	40	0		GDABRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000223673125	206004698	/nfs/dbraw/zinc/00/46/98/206004698.db2.gz	DLWHGPUHXRVOFN-UHFFFAOYSA-N	-1	0	399.446	1.686	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(C)c(Cl)c2)s1	ZINC000224190005	206014476	/nfs/dbraw/zinc/01/44/76/206014476.db2.gz	BILITGCLQCIBSM-UHFFFAOYSA-N	-1	0	390.874	1.816	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)s1	ZINC000224159234	206014848	/nfs/dbraw/zinc/01/48/48/206014848.db2.gz	FYYIXFWFAGHWCB-UHFFFAOYSA-N	-1	0	381.483	1.228	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cc(C(=O)OC)ccc2C)s1	ZINC000224236289	206016217	/nfs/dbraw/zinc/01/62/17/206016217.db2.gz	JKLVFFNQWQCVFJ-UHFFFAOYSA-N	-1	0	384.439	1.782	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCSCc2ccco2)s1	ZINC000224488909	206021879	/nfs/dbraw/zinc/02/18/79/206021879.db2.gz	RQQQTGBFZFUOHS-UHFFFAOYSA-N	-1	0	376.485	1.691	40	0		GDABRM
CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCN1C(C)=O	ZINC000257264911	206168992	/nfs/dbraw/zinc/16/89/92/206168992.db2.gz	LWMIGCYKWUQFCP-HXUWFJFHSA-N	-1	0	395.459	1.831	40	0		GDABRM
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)CC1	ZINC000102618872	136190175	/nfs/dbraw/zinc/19/01/75/136190175.db2.gz	OAFVEHMMPYZIOD-YVSFHVDLSA-N	-1	0	376.840	1.951	40	0		GDABRM
CC(C)OCCCNS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1	ZINC000217646787	136203414	/nfs/dbraw/zinc/20/34/14/136203414.db2.gz	MZWUDLKKUMGDTP-UHFFFAOYSA-N	-1	0	386.470	1.315	40	0		GDABRM
COc1ccccc1NC(=O)CN1C(=O)S[C@H]([C@@H]2SC(=O)[N-]C2=O)C1=O	ZINC000101375865	570283124	/nfs/dbraw/zinc/28/31/24/570283124.db2.gz	MTDITGNPUJYNMH-WDEREUQCSA-N	-1	0	395.418	1.049	40	0		GDABRM
CNc1ccc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cc1C(=O)[O-]	ZINC000217702449	570320115	/nfs/dbraw/zinc/32/01/15/570320115.db2.gz	VBXKIHOSTWNKJS-UHFFFAOYSA-N	-1	0	394.449	1.965	40	0		GDABRM
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C[C@H]2OCc3ccccc32)cc1	ZINC000685938881	570398168	/nfs/dbraw/zinc/39/81/68/570398168.db2.gz	GTHTXZLMBNMBMY-QGZVFWFLSA-N	-1	0	388.445	1.654	40	0		GDABRM
NC(=O)c1c(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000035898118	570437563	/nfs/dbraw/zinc/43/75/63/570437563.db2.gz	SOHZVDDTMVVBAV-OAACRXHESA-N	-1	0	378.450	1.933	40	0		GDABRM
CN(Cc1ncc(C(=O)[O-])c(N2CCCCC2)n1)S(=O)(=O)c1ccccc1	ZINC000049469254	570663814	/nfs/dbraw/zinc/66/38/14/570663814.db2.gz	QHCVQSQEVKYIQJ-UHFFFAOYSA-N	-1	0	390.465	1.986	40	0		GDABRM
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])CC1	ZINC000017077089	570926101	/nfs/dbraw/zinc/92/61/01/570926101.db2.gz	OAFVEHMMPYZIOD-QZWWFDLISA-N	-1	0	376.840	1.951	40	0		GDABRM
Cc1[n-]n(-c2ccc(C)c(C)c2)c(=O)c1C=C1C(=O)N(C)C(=O)C(C(N)=O)=C1C	ZINC000019145077	570958942	/nfs/dbraw/zinc/95/89/42/570958942.db2.gz	VVZHWZFUHGCAQD-DHDCSXOGSA-N	-1	0	394.431	1.687	40	0		GDABRM
CCn1cc(S(=O)(=O)N[C@@H](c2cc(=O)n3[n-]c(C)cc3n2)C(C)C)cn1	ZINC000019525100	570996887	/nfs/dbraw/zinc/99/68/87/570996887.db2.gz	UIENUNZATINNMV-MRXNPFEDSA-N	-1	0	378.458	1.635	40	0		GDABRM
O=C([O-])c1csc(S(=O)(=O)N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1	ZINC000262553812	600258050	/nfs/dbraw/zinc/25/80/50/600258050.db2.gz	XTHWUOMRHODMDO-GFCCVEGCSA-N	-1	0	384.479	1.636	40	0		GDABRM
O=C([O-])c1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000262149202	961500017	/nfs/dbraw/zinc/50/00/17/961500017.db2.gz	JHNCCBYMDKYTAS-CVEARBPZSA-N	-1	0	381.450	1.122	40	0		GDABRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2	ZINC000414324523	973934037	/nfs/dbraw/zinc/93/40/37/973934037.db2.gz	IRHIAUKNFQOVJF-DZGCQCFKSA-N	-1	0	388.445	1.663	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCN([C@@H](C(=O)[O-])c3ccsc3)CC2)cc1	ZINC000575875165	974802912	/nfs/dbraw/zinc/80/29/12/974802912.db2.gz	WLBMDIDCRMKRSU-MRXNPFEDSA-N	-1	0	396.490	1.889	40	0		GDABRM
COCCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)ccc1C	ZINC000408607010	231077310	/nfs/dbraw/zinc/07/73/10/231077310.db2.gz	PPJLUYMXYCQNJL-UHFFFAOYSA-N	-1	0	391.449	1.271	40	0		GDABRM
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)cc(Br)c1OCC(=O)[O-]	ZINC000008110895	530548301	/nfs/dbraw/zinc/54/83/01/530548301.db2.gz	XQBSSGZZYGYHAW-WAPJZHGLSA-N	-1	0	398.169	1.023	40	0		GDABRM
CN(C)CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000223027055	531028677	/nfs/dbraw/zinc/02/86/77/531028677.db2.gz	ZLPGYGIYDPMAPW-UHFFFAOYSA-N	-1	0	389.890	1.284	40	0		GDABRM
CS(=O)(=O)N1CCC(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)CC1	ZINC000262138053	531109492	/nfs/dbraw/zinc/10/94/92/531109492.db2.gz	KPGSCFVIEZNRAY-UHFFFAOYSA-N	-1	0	390.845	1.414	40	0		GDABRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCS(=O)(=O)C2)c(Cl)c1	ZINC000287348338	532210511	/nfs/dbraw/zinc/21/05/11/532210511.db2.gz	XHZOEULKFZPMAY-SECBINFHSA-N	-1	0	381.859	1.141	40	0		GDABRM
COC(=O)c1ccc2c(c1)[C@H]1c3sc(=O)[nH]c3S[C@@H](C(=O)[O-])[C@@H]1C(=O)O2	ZINC000004291882	204036695	/nfs/dbraw/zinc/03/66/95/204036695.db2.gz	OZSFXFHRKLQVDC-FXPVBKGRSA-N	-1	0	393.398	1.449	40	0		GDABRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000005650621	204144582	/nfs/dbraw/zinc/14/45/82/204144582.db2.gz	GBXSMTUPTTWBMN-OIISXLGYSA-N	-1	0	376.453	1.605	40	0		GDABRM
O=C([O-])[C@@H]1[C@H](C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)[C@@H]2CC[C@H]1C2	ZINC000006700130	204193493	/nfs/dbraw/zinc/19/34/93/204193493.db2.gz	MXDIUNHDLOILHZ-OSRDXIQISA-N	-1	0	398.506	1.328	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(C)Cc2ncc(C(=O)[O-])c(N3CCCC3)n2)cc1	ZINC000049469116	205128355	/nfs/dbraw/zinc/12/83/55/205128355.db2.gz	VKTHDSIENDPHRM-UHFFFAOYSA-N	-1	0	390.465	1.904	40	0		GDABRM
O=C([O-])c1[nH]cc(I)c(=O)c1I	ZINC000071255584	205278174	/nfs/dbraw/zinc/27/81/74/205278174.db2.gz	JVWWGUDNSTYDSU-UHFFFAOYSA-N	-1	0	390.902	1.282	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)s1	ZINC000224105998	206013023	/nfs/dbraw/zinc/01/30/23/206013023.db2.gz	KXYIZQONXHXDLJ-UHFFFAOYSA-N	-1	0	384.439	1.705	40	0		GDABRM
CN(CC1(O)CCN(c2ccnc3cccnc32)CC1)C(=O)CCCC(=O)[O-]	ZINC000257240572	206164693	/nfs/dbraw/zinc/16/46/93/206164693.db2.gz	HUDWWGYQHNLPRJ-UHFFFAOYSA-N	-1	0	386.452	1.674	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3csc(C)n3)cc2NC1=O	ZINC000585280928	570249360	/nfs/dbraw/zinc/24/93/60/570249360.db2.gz	CWGMGWQIVKNWOJ-ZDUSSCGKSA-N	-1	0	395.462	1.609	40	0		GDABRM
Cc1c(S(=O)(=O)N[C@H](C)c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)cnn1C	ZINC000100217793	570269140	/nfs/dbraw/zinc/26/91/40/570269140.db2.gz	JAQDPQGHQWBBCE-SNVBAGLBSA-N	-1	0	392.485	1.814	40	0		GDABRM
COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@H]2CCOC2)cc1OC	ZINC000685938897	570398107	/nfs/dbraw/zinc/39/81/07/570398107.db2.gz	PLFBCJPYZRYVKF-LKFCYVNXSA-N	-1	0	393.845	1.214	40	0		GDABRM
Cc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCOCC3)c2=O)cc1Cl	ZINC000222668254	570419628	/nfs/dbraw/zinc/41/96/28/570419628.db2.gz	KTOJQBMSWHVMCV-UHFFFAOYSA-N	-1	0	379.800	1.018	40	0		GDABRM
Cc1cc(=O)n2nc(CC(=O)NCC3(c4ccccc4F)CCOCC3)[n-]c2n1	ZINC000019117381	570957159	/nfs/dbraw/zinc/95/71/59/570957159.db2.gz	REZDEQDEYYXVEN-UHFFFAOYSA-N	-1	0	399.426	1.685	40	0		GDABRM
Cc1cc2nc([C@H](C)NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)cc(=O)n2[n-]1	ZINC000019129642	570957767	/nfs/dbraw/zinc/95/77/67/570957767.db2.gz	ICCLMXCWWAZYGO-ZFWWWQNUSA-N	-1	0	394.435	1.364	40	0		GDABRM
COCCN1C[C@@H](c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)CC1=O	ZINC000019593360	571019683	/nfs/dbraw/zinc/01/96/83/571019683.db2.gz	LDDTZJIUPAUVTN-ZDUSSCGKSA-N	-1	0	395.419	1.650	40	0		GDABRM
COc1cc(S(=O)(=O)N2CCCN(C(C)=O)CC2)c(Cl)cc1C(=O)[O-]	ZINC000546968481	650490731	/nfs/dbraw/zinc/49/07/31/650490731.db2.gz	VIQQQMZIRSOPBJ-UHFFFAOYSA-N	-1	0	390.845	1.290	40	0		GDABRM
Cn1c2cc(Cl)c(S(=O)(=O)[N-]c3ccc(C(N)=O)cc3)cc2oc1=O	ZINC000223347536	531029016	/nfs/dbraw/zinc/02/90/16/531029016.db2.gz	JMLUWZDPMDTXNG-UHFFFAOYSA-N	-1	0	381.797	1.685	40	0		GDABRM
Cc1nc2cc([C@H]3CCCN3C(=O)c3cnc(N(C)C)nc3)[n-]n2c(=O)c1C	ZINC000012336995	204399387	/nfs/dbraw/zinc/39/93/87/204399387.db2.gz	AJIYHGNYBHRLSM-OAHLLOKOSA-N	-1	0	381.440	1.885	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(C)Cc2nc(N)cc(SCC(=O)[O-])n2)cc1	ZINC000049470205	205128992	/nfs/dbraw/zinc/12/89/92/205128992.db2.gz	YDQSBOVNWZBGJM-UHFFFAOYSA-N	-1	0	382.467	1.365	40	0		GDABRM
CC(C)(C)OC(=O)N([C@H](CC(=O)[O-])C(=O)O[C@@H]1CC(=O)NC1=O)C(C)(C)C	ZINC000064219609	205188253	/nfs/dbraw/zinc/18/82/53/205188253.db2.gz	RJWYZHDRZJNCSZ-NXEZZACHSA-N	-1	0	386.401	1.664	40	0		GDABRM
COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000100355432	205608722	/nfs/dbraw/zinc/60/87/22/205608722.db2.gz	CLLMNRTZGYVVMF-RHSMWYFYSA-N	-1	0	394.339	1.521	40	0		GDABRM
O=C([O-])CN1C(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3cccs3)[C@@H]2C1=O	ZINC000212840842	205924708	/nfs/dbraw/zinc/92/47/08/205924708.db2.gz	AZCYYLDNXVAUQI-KHQFGBGNSA-N	-1	0	382.444	1.174	40	0		GDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000223408941	206000591	/nfs/dbraw/zinc/00/05/91/206000591.db2.gz	IYJUDZFKPSYCDM-UHFFFAOYSA-N	-1	0	386.455	1.951	40	0		GDABRM
COC(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000224779981	206026846	/nfs/dbraw/zinc/02/68/46/206026846.db2.gz	YUZOBDGZQRYQRH-UHFFFAOYSA-N	-1	0	384.439	1.720	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2cncc(C(=O)[O-])c2)CC1	ZINC000257291372	206173767	/nfs/dbraw/zinc/17/37/67/206173767.db2.gz	QGRCRGIGASXQLM-UHFFFAOYSA-N	-1	0	391.453	1.223	40	0		GDABRM
O=C(N[C@@H]1CCC[C@@H](N2CCOCC2)[C@@H]1O)c1cccc(Br)c1[O-]	ZINC000257305942	206176896	/nfs/dbraw/zinc/17/68/96/206176896.db2.gz	SSEQFUSPDLZKRX-IIAWOOMASA-N	-1	0	399.285	1.499	40	0		GDABRM
CS(=O)(=O)N1CCC[C@@H](Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)C1	ZINC000257329141	206179254	/nfs/dbraw/zinc/17/92/54/206179254.db2.gz	XIRZRIBGQWVNJD-LBPRGKRZSA-N	-1	0	376.438	1.451	40	0		GDABRM
CCCn1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1	ZINC000585271068	570239675	/nfs/dbraw/zinc/23/96/75/570239675.db2.gz	GLZLMFHTWRJVDY-UHFFFAOYSA-N	-1	0	398.828	1.396	40	0		GDABRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3cc4c(s3)CCC4)cc2n(C)c1=O	ZINC000186105903	570528036	/nfs/dbraw/zinc/52/80/36/570528036.db2.gz	ICUIZPNVNQIODQ-UHFFFAOYSA-N	-1	0	391.474	1.546	40	0		GDABRM
CC(=O)NC1C(=O)N=C(S[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)N=C1[O-]	ZINC000013565064	570758891	/nfs/dbraw/zinc/75/88/91/570758891.db2.gz	CPKISXVZFKFDON-SECBINFHSA-N	-1	0	390.421	1.756	40	0		GDABRM
COc1cc([C@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@H]2C(=O)OC(C)C)ccc1O	ZINC000095101349	571049730	/nfs/dbraw/zinc/04/97/30/571049730.db2.gz	OMQVSGXUXNYQAC-ZSZQSSIHSA-N	-1	0	376.409	1.836	40	0		GDABRM
Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]	ZINC000274966232	599873104	/nfs/dbraw/zinc/87/31/04/599873104.db2.gz	VTBSZZBEULAUMA-OAHLLOKOSA-N	-1	0	376.438	1.492	40	0		GDABRM
COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000530139310	649965347	/nfs/dbraw/zinc/96/53/47/649965347.db2.gz	YECSROPHGNLIMV-JTQLQIEISA-N	-1	0	385.316	1.068	40	0		GDABRM
NC(=O)C[C@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCOCC1	ZINC000262666415	531126092	/nfs/dbraw/zinc/12/60/92/531126092.db2.gz	NKXHULHUILFADI-ZDUSSCGKSA-N	-1	0	399.241	1.548	40	0		GDABRM
Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000560480990	531650709	/nfs/dbraw/zinc/65/07/09/531650709.db2.gz	PFWZGECOFBMDDI-SNVBAGLBSA-N	-1	0	382.207	1.371	40	0		GDABRM
CC[C@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000287415929	532214434	/nfs/dbraw/zinc/21/44/34/532214434.db2.gz	FQHHTWDDLUJLCR-OLZOCXBDSA-N	-1	0	375.468	1.272	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000005929700	204157289	/nfs/dbraw/zinc/15/72/89/204157289.db2.gz	CIQPOCNPNNKULM-UHFFFAOYSA-N	-1	0	398.462	1.300	40	0		GDABRM
COc1ccc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1	ZINC000008665508	204283549	/nfs/dbraw/zinc/28/35/49/204283549.db2.gz	LGZHZGSRBLJLIQ-DLIAZCHPSA-N	-1	0	376.434	1.340	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@@H]1CCN(C(=O)COC[C@@H]3CCCO3)C1)cc2=O	ZINC000012276423	204388261	/nfs/dbraw/zinc/38/82/61/204388261.db2.gz	FPSKWTMTACYZRV-CABCVRRESA-N	-1	0	388.468	1.817	40	0		GDABRM
Cc1nc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)sc1C(=O)N(C)C	ZINC000041594387	205079941	/nfs/dbraw/zinc/07/99/41/205079941.db2.gz	HEERTKNQQUSJLM-UHFFFAOYSA-N	-1	0	382.423	1.389	40	0		GDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2)s1	ZINC000225105679	206036756	/nfs/dbraw/zinc/03/67/56/206036756.db2.gz	MVQYJTBWXJANRF-UHFFFAOYSA-N	-1	0	384.483	1.880	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccccc2C)s1	ZINC000225596358	206060921	/nfs/dbraw/zinc/06/09/21/206060921.db2.gz	VZOQIDGNKFRTBZ-LLVKDONJSA-N	-1	0	384.483	1.941	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257204066	206159178	/nfs/dbraw/zinc/15/91/78/206159178.db2.gz	ASXWVAGEAIOBPG-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257214374	206161429	/nfs/dbraw/zinc/16/14/29/206161429.db2.gz	CLTFMFKBEKXEGC-LBPRGKRZSA-N	-1	0	391.453	1.141	40	0		GDABRM
O=C([O-])CCN(CCc1ccccc1)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000257230046	206163536	/nfs/dbraw/zinc/16/35/36/206163536.db2.gz	GANSDTPXSSAXCV-NHCUHLMSSA-N	-1	0	396.443	1.789	40	0		GDABRM
CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@@H]1C(N)=O	ZINC000257256547	206167416	/nfs/dbraw/zinc/16/74/16/206167416.db2.gz	KLYGSTLMWIVFKV-LJQANCHMSA-N	-1	0	381.432	1.570	40	0		GDABRM
CC(C)(C)OC[C@H](NC1(CNC(=O)OCc2ccccc2)COC1)C(=O)[O-]	ZINC000306145661	206208255	/nfs/dbraw/zinc/20/82/55/206208255.db2.gz	MLPINHHSKVMFLF-HNNXBMFYSA-N	-1	0	380.441	1.540	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1N1CCOCC1	ZINC000217606287	136203356	/nfs/dbraw/zinc/20/33/56/136203356.db2.gz	JEJYMWAKJYVMTJ-UHFFFAOYSA-N	-1	0	376.434	1.700	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCC(=O)OC	ZINC000408917186	528195266	/nfs/dbraw/zinc/19/52/66/528195266.db2.gz	OLAQOHVVPWYGDX-ONNFQVAWSA-N	-1	0	399.197	1.580	40	0		GDABRM
CCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O	ZINC000226859671	570462060	/nfs/dbraw/zinc/46/20/60/570462060.db2.gz	JAIBMVFOVHVEDZ-UHFFFAOYSA-N	-1	0	388.401	1.874	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000013320896	570838396	/nfs/dbraw/zinc/83/83/96/570838396.db2.gz	MXDIUNHDLOILHZ-MYZSUADSSA-N	-1	0	398.506	1.328	40	0		GDABRM
CN1C(=O)N/C(=C/c2cc([N+](=O)[O-])cc(I)c2[O-])C1=O	ZINC000008091555	530548414	/nfs/dbraw/zinc/54/84/14/530548414.db2.gz	MBYCBVGNCNOWHP-FPYGCLRLSA-N	-1	0	389.105	1.428	40	0		GDABRM
O=C([O-])CN1C(=O)S/C(=C2\C(=O)Nc3ccc(Br)cc32)C1=O	ZINC000001777870	530531923	/nfs/dbraw/zinc/53/19/23/530531923.db2.gz	IHLMDFOMPSDQFW-KTKRTIGZSA-N	-1	0	383.179	1.892	40	0		GDABRM
Cc1cccc(NC(=O)CN2C(=O)S[C@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)c1	ZINC000101375831	530823695	/nfs/dbraw/zinc/82/36/95/530823695.db2.gz	CSEAQGMLWDHINI-WDEREUQCSA-N	-1	0	379.419	1.349	40	0		GDABRM
CC[C@@H]1[C@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000287415924	532214706	/nfs/dbraw/zinc/21/47/06/532214706.db2.gz	FQHHTWDDLUJLCR-CHWSQXEVSA-N	-1	0	375.468	1.272	40	0		GDABRM
CC[C@@H](C)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H](CCC(=O)[O-])[NH2+][C@@]21C(=O)Nc2ccccc21	ZINC000005345551	204127215	/nfs/dbraw/zinc/12/72/15/204127215.db2.gz	LKURVQPMFDXGSX-DDRWEVQISA-N	-1	0	385.420	1.070	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccs3)no2)s1	ZINC000036238194	205009541	/nfs/dbraw/zinc/00/95/41/205009541.db2.gz	YJMMDLPGAYIHJJ-UHFFFAOYSA-N	-1	0	386.440	1.087	40	0		GDABRM
COC(=O)c1cc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)ccc1Cl	ZINC000040663601	205067721	/nfs/dbraw/zinc/06/77/21/205067721.db2.gz	NRIKBQWJLBACJX-UHFFFAOYSA-N	-1	0	390.830	1.737	40	0		GDABRM
COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224829603	206029782	/nfs/dbraw/zinc/02/97/82/206029782.db2.gz	PEKJSGHORDORFI-UHFFFAOYSA-N	-1	0	379.390	1.746	40	0		GDABRM
O=C([O-])COCC(=O)NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21	ZINC000096112472	206118388	/nfs/dbraw/zinc/11/83/88/206118388.db2.gz	MGOFFMFGVCBHMG-JTQLQIEISA-N	-1	0	387.314	1.344	40	0	biogenic,in-vitro	GDABRM
CS(=O)(=O)N1CCC(Cc2cnc(-c3cncc(C(=O)[O-])c3)cn2)CC1	ZINC000257296228	206175659	/nfs/dbraw/zinc/17/56/59/206175659.db2.gz	RBUHPHWYSFHYKI-UHFFFAOYSA-N	-1	0	376.438	1.451	40	0		GDABRM
Cc1ccc(F)c(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)c1	ZINC000257302733	206177000	/nfs/dbraw/zinc/17/70/00/206177000.db2.gz	SECJRAGKYCXFJY-QZTJIDSGSA-N	-1	0	388.395	1.895	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c(Br)cc1O	ZINC000408596020	528194660	/nfs/dbraw/zinc/19/46/60/528194660.db2.gz	YRJZHRUSDXVOJA-YCRREMRBSA-N	-1	0	385.170	1.531	40	0		GDABRM
O=C([O-])COCC(=O)N1Cc2nc[nH]c2C[C@H]1c1nc(Cc2ccccc2)no1	ZINC000015675954	560094939	/nfs/dbraw/zinc/09/49/39/560094939.db2.gz	YHWVKUAIUVBBLC-HNNXBMFYSA-N	-1	0	397.391	1.111	40	0	biogenic,in-vitro	GDABRM
CN1C[C@@H](NC(=O)CCC(=O)[O-])C[C@H]1c1nc(-c2ccc3c(c2)OCO3)no1	ZINC000012530057	560212954	/nfs/dbraw/zinc/21/29/54/560212954.db2.gz	ANNGJOSOHGERMR-RYUDHWBXSA-N	-1	0	388.380	1.192	40	0	biogenic,in-vitro	GDABRM
COCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000585274138	570243399	/nfs/dbraw/zinc/24/33/99/570243399.db2.gz	WNRZCZVJBGJNMQ-UHFFFAOYSA-N	-1	0	392.458	1.865	40	0		GDABRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c(C)n1	ZINC000585274512	570243857	/nfs/dbraw/zinc/24/38/57/570243857.db2.gz	ZIQCGRMTGHFFAT-NSHDSACASA-N	-1	0	392.437	1.358	40	0		GDABRM
Cc1nonc1CC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138532	570267132	/nfs/dbraw/zinc/26/71/32/570267132.db2.gz	RGGWPEWKNSXSOC-ZDUSSCGKSA-N	-1	0	396.451	1.954	40	0		GDABRM
C[C@H](NC(=O)C[C@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217759	570269122	/nfs/dbraw/zinc/26/91/22/570269122.db2.gz	QQNWAKWTSRMIIL-NWDGAFQWSA-N	-1	0	394.497	1.734	40	0		GDABRM
Cc1c(C([O-])=CC(=O)C(=O)Nc2ccc(Cl)cc2)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000100742376	570275924	/nfs/dbraw/zinc/27/59/24/570275924.db2.gz	DDQHTZFMSGAPTM-UHFFFAOYSA-N	-1	0	399.790	1.849	40	0		GDABRM
CNS(=O)(=O)c1ccc(NCCc2ccc(OC)c(OC)c2)c(C(=O)[O-])c1	ZINC000217536967	570317774	/nfs/dbraw/zinc/31/77/74/570317774.db2.gz	HXVRKAKRMWAKTF-UHFFFAOYSA-N	-1	0	394.449	1.965	40	0		GDABRM
O=C(Nc1ccc(F)cc1)c1cc(S(=O)(=O)N2CCOCC2)ccc1[O-]	ZINC000027986197	570422255	/nfs/dbraw/zinc/42/22/55/570422255.db2.gz	VWCIDYFYTHRKPG-UHFFFAOYSA-N	-1	0	380.397	1.805	40	0		GDABRM
CC(=O)N(CC(=O)[O-])C[C@H]1CN(Cc2cccc3c2OC(F)(F)O3)CCO1	ZINC000655924984	570680518	/nfs/dbraw/zinc/68/05/18/570680518.db2.gz	USULUJTUOOQIBX-CYBMUJFWSA-N	-1	0	386.351	1.142	40	0		GDABRM
COc1ccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)n2)cc1	ZINC000101674984	570716956	/nfs/dbraw/zinc/71/69/56/570716956.db2.gz	MGWNCCJRERCJQI-FZNQNYSPSA-N	-1	0	399.447	1.926	40	0		GDABRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(C)C(=O)C(C(N)=O)=C1C	ZINC000015134029	570882632	/nfs/dbraw/zinc/88/26/32/570882632.db2.gz	ZKSMKHKCMZPYBN-ZROIWOOFSA-N	-1	0	380.404	1.379	40	0		GDABRM
O=C([O-])CCN(C[C@H]1CCCO1)C(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000531745646	600486107	/nfs/dbraw/zinc/48/61/07/600486107.db2.gz	KTQJPPXQFFZTEY-MRXNPFEDSA-N	-1	0	381.473	1.397	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccc(OC)cc2)s1	ZINC000223242287	531028167	/nfs/dbraw/zinc/02/81/67/531028167.db2.gz	DHUNPMYLVOGYMI-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
CCCn1c2[nH]c(-c3ccc(OCC(=O)[O-])cc3)nc2c(=O)n(CCC)c1=O	ZINC000005114736	204112339	/nfs/dbraw/zinc/11/23/39/204112339.db2.gz	QTMMGCYGCFXBFI-UHFFFAOYSA-N	-1	0	386.408	1.837	40	0	in-vitro	GDABRM
COc1ccc(C(=O)/C=c2\[nH]c(=O)/c(=C\c3ccc(C(=O)[O-])cc3)s2)cc1	ZINC000007715418	204247050	/nfs/dbraw/zinc/24/70/50/204247050.db2.gz	VHVMFSLELBXCOI-ODPUSEOTSA-N	-1	0	381.409	1.635	40	0		GDABRM
CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(I)c1OC	ZINC000015012935	204553829	/nfs/dbraw/zinc/55/38/29/204553829.db2.gz	DLNNKBBVQCYTAE-UITAMQMPSA-N	-1	0	388.161	1.879	40	0		GDABRM
Cc1c2c(cc(=O)n1CCCN1CCOCC1)[n-]n(-c1ccc(F)cc1)c2=O	ZINC000059707516	205180121	/nfs/dbraw/zinc/18/01/21/205180121.db2.gz	ORVFSXJOMJYMFN-UHFFFAOYSA-N	-1	0	386.427	1.650	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)N1C[C@@H](O)[C@H](n2ccc3cc(C(N)=O)ccc32)C1	ZINC000257232593	206162646	/nfs/dbraw/zinc/16/26/46/206162646.db2.gz	GLNVFWRWRSJUHL-HZPDHXFCSA-N	-1	0	387.436	1.375	40	0		GDABRM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257237453	206164493	/nfs/dbraw/zinc/16/44/93/206164493.db2.gz	HGNRSSOAXJNIMJ-GFCCVEGCSA-N	-1	0	391.453	1.141	40	0		GDABRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@@H](C)O2	ZINC000585271834	570242104	/nfs/dbraw/zinc/24/21/04/570242104.db2.gz	KLUULLUQWPOUOO-SNVBAGLBSA-N	-1	0	393.421	1.692	40	0		GDABRM
COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)cc1	ZINC000585273641	570242473	/nfs/dbraw/zinc/24/24/73/570242473.db2.gz	SWGCXKDWGULZRA-UHFFFAOYSA-N	-1	0	376.390	1.074	40	0		GDABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(OC)ccc1OC	ZINC000024347755	570382448	/nfs/dbraw/zinc/38/24/48/570382448.db2.gz	XMPBMHWPSASOIL-UHFFFAOYSA-N	-1	0	394.449	1.881	40	0		GDABRM
CC(=O)SCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]	ZINC000584577522	570412365	/nfs/dbraw/zinc/41/23/65/570412365.db2.gz	UCRGFMFAXRIRPT-HOTGVXAUSA-N	-1	0	392.477	1.459	40	0		GDABRM
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)Oc2ccccc21	ZINC000013680717	570773097	/nfs/dbraw/zinc/77/30/97/570773097.db2.gz	WCTNNIOLBHLKLG-INIZCTEOSA-N	-1	0	390.417	1.941	40	0		GDABRM
CCOC(=O)c1c2c(sc1[N-]c1nc3nonc3n3nnnc13)CCCC2	ZINC000016687734	570930724	/nfs/dbraw/zinc/93/07/24/570930724.db2.gz	WEXMOKASDRATEX-UHFFFAOYSA-N	-1	0	386.397	1.916	40	0		GDABRM
Cc1cc2nc([C@@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)cc(=O)n2[n-]1	ZINC000019129647	570957983	/nfs/dbraw/zinc/95/79/83/570957983.db2.gz	ICCLMXCWWAZYGO-UKRRQHHQSA-N	-1	0	394.435	1.364	40	0		GDABRM
COc1cccc([C@H](NS(=O)(=O)c2cnn(C3CCOCC3)c2)C(=O)[O-])c1	ZINC000275296437	962833510	/nfs/dbraw/zinc/83/35/10/962833510.db2.gz	QBMFMWPDUGHULF-INIZCTEOSA-N	-1	0	395.437	1.347	40	0		GDABRM
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013069238	530558176	/nfs/dbraw/zinc/55/81/76/530558176.db2.gz	DMBCEHKBHHDSMM-SNVBAGLBSA-N	-1	0	381.859	1.236	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(I)cc1	ZINC000004990098	204100716	/nfs/dbraw/zinc/10/07/16/204100716.db2.gz	FKOFLTTVBNVPTE-KXNHARMFSA-N	-1	0	385.157	1.884	40	0		GDABRM
COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])ccc1O	ZINC000008665510	204283660	/nfs/dbraw/zinc/28/36/60/204283660.db2.gz	CZTRBMMRFGMOKC-PZAIXRNCSA-N	-1	0	392.433	1.046	40	0		GDABRM
CC(C)(C)[C@@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)[O-]	ZINC000071974083	205300345	/nfs/dbraw/zinc/30/03/45/205300345.db2.gz	BZUKJNKTPCZNPM-CABCVRRESA-N	-1	0	376.457	1.771	40	0		GDABRM
O=C(COc1ccc2nc3n(c(=O)c2c1)CCC3)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101509336	205809496	/nfs/dbraw/zinc/80/94/96/205809496.db2.gz	WPFDUDCUGXKLNI-OKILXGFUSA-N	-1	0	399.447	1.729	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000223645496	206003993	/nfs/dbraw/zinc/00/39/93/206003993.db2.gz	OTSZABVNBZXCQS-UHFFFAOYSA-N	-1	0	380.422	1.873	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)s1	ZINC000225489325	206052244	/nfs/dbraw/zinc/05/22/44/206052244.db2.gz	BFWOMLNRYMNITH-UHFFFAOYSA-N	-1	0	395.466	1.733	40	0		GDABRM
CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000224346745	136206911	/nfs/dbraw/zinc/20/69/11/136206911.db2.gz	BXXMCYZLOJTTSM-UHFFFAOYSA-N	-1	0	397.888	1.833	40	0		GDABRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1ccc(F)c(Cl)c1	ZINC000585272135	570242422	/nfs/dbraw/zinc/24/24/22/570242422.db2.gz	LOQUQOATTXIKAB-UHFFFAOYSA-N	-1	0	384.772	1.929	40	0		GDABRM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000100998449	570280294	/nfs/dbraw/zinc/28/02/94/570280294.db2.gz	ROCLECFIMRMWLZ-HNNXBMFYSA-N	-1	0	393.432	1.619	40	0		GDABRM
Cc1ccc(S(=O)(=O)Nc2ccc(OCCOCCO)cc2)cc1C(=O)[O-]	ZINC000226858520	570462090	/nfs/dbraw/zinc/46/20/90/570462090.db2.gz	HDTLOWXFDRUSFB-UHFFFAOYSA-N	-1	0	395.433	1.882	40	0		GDABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)ccc1OC	ZINC000013679341	570773160	/nfs/dbraw/zinc/77/31/60/570773160.db2.gz	HKBBUTNWMIMXSG-UHFFFAOYSA-N	-1	0	380.422	1.873	40	0		GDABRM
Cc1nn2c([n-]1)nc(C)c(CCC(=O)Nc1ccc3c(c1)N(C)CCC3)c2=O	ZINC000019716651	571038588	/nfs/dbraw/zinc/03/85/88/571038588.db2.gz	PGFXRICEEKBLEV-UHFFFAOYSA-N	-1	0	380.452	1.988	40	0		GDABRM
COc1cc([C@@H]2c3c(=O)[nH][nH]c3C[C@@](C)(O)[C@@H]2C(=O)OC(C)C)ccc1O	ZINC000095101346	571049657	/nfs/dbraw/zinc/04/96/57/571049657.db2.gz	OMQVSGXUXNYQAC-SIXWZSSISA-N	-1	0	376.409	1.836	40	0		GDABRM
C[C@]12CC[C@]3(C)OCC(COC(=O)[N-]S(=O)(=O)c4ccccc4)(CO1)N23	ZINC000004511569	204048698	/nfs/dbraw/zinc/04/86/98/204048698.db2.gz	CEGWASGGHHMSPN-SJPCQFCGSA-N	-1	0	382.438	1.429	40	0		GDABRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2oc1=O	ZINC000019936808	204694261	/nfs/dbraw/zinc/69/42/61/204694261.db2.gz	BSRKCHJBPNUCIN-UHFFFAOYSA-N	-1	0	397.434	1.063	40	0		GDABRM
Cc1ccccc1NC(=O)CN1C(=O)S[C@@H]([C@@H]2SC(=O)[N-]C2=O)C1=O	ZINC000101375824	205621185	/nfs/dbraw/zinc/62/11/85/205621185.db2.gz	WRBDKOTZKFYJJT-QWRGUYRKSA-N	-1	0	379.419	1.349	40	0		GDABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C[C@H]3CCCO3)s2)cc1	ZINC000224262159	206018367	/nfs/dbraw/zinc/01/83/67/206018367.db2.gz	GCOZLHKBWGFGGW-GFCCVEGCSA-N	-1	0	382.467	1.556	40	0		GDABRM
COC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000223744656	206006287	/nfs/dbraw/zinc/00/62/87/206006287.db2.gz	KFZMICKEQJLWMJ-UHFFFAOYSA-N	-1	0	386.411	1.093	40	0		GDABRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1C	ZINC000224759692	206028035	/nfs/dbraw/zinc/02/80/35/206028035.db2.gz	OOJVTVYSXCNSSL-UHFFFAOYSA-N	-1	0	384.439	1.782	40	0		GDABRM
Cc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3ccc(CC(=O)[O-])cc3)C2)cc1	ZINC000257288050	206172765	/nfs/dbraw/zinc/17/27/65/206172765.db2.gz	PSOXBKDMGMOJCB-RTBURBONSA-N	-1	0	384.432	1.685	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257288819	206173841	/nfs/dbraw/zinc/17/38/41/206173841.db2.gz	PVVXZQJCQULHIL-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CS(=O)(=O)N1CCC[C@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257321393	206177851	/nfs/dbraw/zinc/17/78/51/206177851.db2.gz	WBMJAJACSPUIFN-GFCCVEGCSA-N	-1	0	376.438	1.451	40	0		GDABRM
CCOc1c(Br)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408594833	528166684	/nfs/dbraw/zinc/16/66/84/528166684.db2.gz	PJRULRXDUOUJSO-BJMVGYQFSA-N	-1	0	399.197	1.834	40	0		GDABRM
COc1cc(C)c(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)cc1C	ZINC000224274526	536614755	/nfs/dbraw/zinc/61/47/55/536614755.db2.gz	NFBZIEHATBGUHK-UHFFFAOYSA-N	-1	0	378.454	1.739	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3sc(C)nc3C)cc2NC1=O	ZINC000585280868	570249282	/nfs/dbraw/zinc/24/92/82/570249282.db2.gz	AZKFWSGPCVZXAQ-GFCCVEGCSA-N	-1	0	395.462	1.988	40	0		GDABRM
CCOC(=O)CSC1=NN[C@@](C)(c2c([O-])c3ccccc3n(CC)c2=O)N1	ZINC000102474384	570289314	/nfs/dbraw/zinc/28/93/14/570289314.db2.gz	RRKRTZNAOQUVGB-SFHVURJKSA-N	-1	0	390.465	1.660	40	0		GDABRM
COc1ccc(C(=O)CN(CCCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1OC	ZINC000575420630	570308031	/nfs/dbraw/zinc/30/80/31/570308031.db2.gz	CYZZHORDWLAKSH-CQSZACIVSA-N	-1	0	399.465	1.240	40	0		GDABRM
CC(C)(C)OC(=O)N1CCC2(CC1)NC1(CCCCC1)C(=O)N2CC(=O)[O-]	ZINC000012357242	570398247	/nfs/dbraw/zinc/39/82/47/570398247.db2.gz	RBFQUTGSCBDTBL-UHFFFAOYSA-N	-1	0	381.473	1.933	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NCc2nccn2C(F)F)cc2c1OCCO2	ZINC000546252064	570678859	/nfs/dbraw/zinc/67/88/59/570678859.db2.gz	XPWJTAXJGWLVGJ-UHFFFAOYSA-N	-1	0	389.336	1.226	40	0		GDABRM
CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccc(OC)cc3)N2N1	ZINC000588224950	570744112	/nfs/dbraw/zinc/74/41/12/570744112.db2.gz	BOFLMPNVNXIMRN-GOSISDBHSA-N	-1	0	394.456	1.102	40	0		GDABRM
COc1ccccc1C[C@@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000516567641	601395968	/nfs/dbraw/zinc/39/59/68/601395968.db2.gz	SCYLMWJSLGQKFQ-MRXNPFEDSA-N	-1	0	384.498	1.893	40	0		GDABRM
CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575425071	532013629	/nfs/dbraw/zinc/01/36/29/532013629.db2.gz	DNQNIKHTHKBQOX-CQSZACIVSA-N	-1	0	395.886	1.626	40	0		GDABRM
COc1ccc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1	ZINC000008665506	204283951	/nfs/dbraw/zinc/28/39/51/204283951.db2.gz	LGZHZGSRBLJLIQ-YQDVYMJTSA-N	-1	0	376.434	1.340	40	0		GDABRM
O=C([O-])c1cnc(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)[nH]c1=O	ZINC000049468543	205128085	/nfs/dbraw/zinc/12/80/85/205128085.db2.gz	URSHSYCJJPUGRG-UHFFFAOYSA-N	-1	0	377.422	1.038	40	0		GDABRM
COc1ccc(NC(=O)CN2C(=O)S[C@@H]([C@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000065090504	205210512	/nfs/dbraw/zinc/21/05/12/205210512.db2.gz	LOGMKXVTFRKHHW-MNOVXSKESA-N	-1	0	395.418	1.049	40	0		GDABRM
Cc1ccccc1NC(=O)CN1C(=O)S[C@@H]([C@H]2SC(=O)[N-]C2=O)C1=O	ZINC000065090480	205211075	/nfs/dbraw/zinc/21/10/75/205211075.db2.gz	WRBDKOTZKFYJJT-MNOVXSKESA-N	-1	0	379.419	1.349	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)N(C)C)s2)cc1OC	ZINC000032610163	206091120	/nfs/dbraw/zinc/09/11/20/206091120.db2.gz	TUDIJDSUEBFDBY-UHFFFAOYSA-N	-1	0	385.467	1.971	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257299203	206175005	/nfs/dbraw/zinc/17/50/05/206175005.db2.gz	RPCUQHSQFGGMGV-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1	ZINC000257256303	206167433	/nfs/dbraw/zinc/16/74/33/206167433.db2.gz	KKWLMXSEAZXZQM-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
CCOC(=O)c1sc([N-]c2ncc(C(=O)N3CCOCC3)c(C)n2)nc1C	ZINC000019819553	570222534	/nfs/dbraw/zinc/22/25/34/570222534.db2.gz	XBYVACQMKRGAAD-UHFFFAOYSA-N	-1	0	391.453	1.943	40	0		GDABRM
COc1ccc(CCNS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)cc1OC	ZINC000001102751	570295399	/nfs/dbraw/zinc/29/53/99/570295399.db2.gz	MTCJXMKMDPQRNQ-UHFFFAOYSA-N	-1	0	395.433	1.688	40	0		GDABRM
Cc1cnc2c(cccc2S(=O)(=O)NC[C@@H](C(=O)[O-])C2CCOCC2)c1	ZINC000564853495	570310111	/nfs/dbraw/zinc/31/01/11/570310111.db2.gz	CWNKSJPCLGTSHY-OAHLLOKOSA-N	-1	0	378.450	1.949	40	0		GDABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccccn3)s2)cc1	ZINC000223172524	570448302	/nfs/dbraw/zinc/44/83/02/570448302.db2.gz	GIZZHBDZCHDGFQ-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
COC(=O)CN1C(=O)S/C(=C/c2cccc(OC)c2OCC(=O)[O-])C1=O	ZINC000008169010	570468078	/nfs/dbraw/zinc/46/80/78/570468078.db2.gz	ICZHEJOMELYSTA-IZZDOVSWSA-N	-1	0	381.362	1.368	40	0		GDABRM
CCCCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588228249	570745513	/nfs/dbraw/zinc/74/55/13/570745513.db2.gz	MOSHXSSLHLLNBT-LJQANCHMSA-N	-1	0	392.484	1.873	40	0		GDABRM
O=C([O-])c1cccc(CC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)c1	ZINC000262149204	961499937	/nfs/dbraw/zinc/49/99/37/961499937.db2.gz	JHNCCBYMDKYTAS-HOTGVXAUSA-N	-1	0	381.450	1.122	40	0		GDABRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1csc(Br)c1	ZINC000237016949	531041781	/nfs/dbraw/zinc/04/17/81/531041781.db2.gz	LJOLILUNCGKTDR-SECBINFHSA-N	-1	0	389.271	1.906	40	0		GDABRM
O=C([O-])CCCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1	ZINC000575423659	532013912	/nfs/dbraw/zinc/01/39/12/532013912.db2.gz	PPDGIRWNTOMASY-CQSZACIVSA-N	-1	0	389.495	1.509	40	0		GDABRM
O=C([O-])[C@H](CCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000002033727	203924944	/nfs/dbraw/zinc/92/49/44/203924944.db2.gz	IVEHFUSBILQVGT-INIZCTEOSA-N	-1	0	392.367	1.812	40	0		GDABRM
CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000008703384	204282965	/nfs/dbraw/zinc/28/29/65/204282965.db2.gz	LPQWILUJEBQNIT-MRXNPFEDSA-N	-1	0	381.388	1.999	40	0		GDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3C(=O)Cn3cccnc3=O)cc2n1	ZINC000012161386	204378803	/nfs/dbraw/zinc/37/88/03/204378803.db2.gz	HJOAWLKWBDSPQP-HNNXBMFYSA-N	-1	0	382.424	1.308	40	0		GDABRM
O=C([O-])CN1C(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccs3)[C@@H]2C1=O	ZINC000101941724	205629285	/nfs/dbraw/zinc/62/92/85/205629285.db2.gz	AZCYYLDNXVAUQI-OYNCUSHFSA-N	-1	0	382.444	1.174	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)nc2N(C)C)cc1	ZINC000224342842	206019918	/nfs/dbraw/zinc/01/99/18/206019918.db2.gz	FTTKXMSIYOLUAA-UHFFFAOYSA-N	-1	0	377.470	1.952	40	0		GDABRM
Cc1ccc(OCC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000225662999	206064698	/nfs/dbraw/zinc/06/46/98/206064698.db2.gz	FBKXGIRPVVQQAL-UHFFFAOYSA-N	-1	0	384.483	1.798	40	0		GDABRM
Cc1cc(-c2ccccc2C(=O)[O-])nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257257192	206167602	/nfs/dbraw/zinc/16/76/02/206167602.db2.gz	KOLWNBVFWQOHNA-ZDUSSCGKSA-N	-1	0	390.465	1.746	40	0		GDABRM
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409104763	534226747	/nfs/dbraw/zinc/22/67/47/534226747.db2.gz	IAFVEEOFIPFPIA-MRACZJACSA-N	-1	0	395.389	1.756	40	0		GDABRM
CCOC(=O)COc1cc(Br)c(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000408917530	528841911	/nfs/dbraw/zinc/84/19/11/528841911.db2.gz	WKEKXBWRWOCPIA-ONNFQVAWSA-N	-1	0	399.197	1.580	40	0		GDABRM
CC(C)S(=O)(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3cc[nH]cc-3n2)C1	ZINC000514288670	560034536	/nfs/dbraw/zinc/03/45/36/560034536.db2.gz	KFBCSFWTZTXLAO-STQMWFEESA-N	-1	0	380.470	1.651	40	0	biogenic,in-vitro	GDABRM
CC(C)(C)c1ccnc(N[C@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=O)CCCC(=O)[O-])n1	ZINC000005433905	560202025	/nfs/dbraw/zinc/20/20/25/560202025.db2.gz	YULIWAJUAHWUGW-IYVPYFHTSA-N	-1	0	392.456	1.092	40	0	biogenic,in-vitro	GDABRM
CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)CN4C(=O)CCC4=O)C3)[n-]n2c1=O	ZINC000100138444	570267185	/nfs/dbraw/zinc/26/71/85/570267185.db2.gz	RCIWHTZIXYFACF-CYBMUJFWSA-N	-1	0	399.451	1.161	40	0		GDABRM
O=C(CCn1cncn1)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138553	570267263	/nfs/dbraw/zinc/26/72/63/570267263.db2.gz	RYYOKMNPUABVLX-CQSZACIVSA-N	-1	0	395.467	1.702	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000006829078	570286940	/nfs/dbraw/zinc/28/69/40/570286940.db2.gz	IQWARWRNUFECRK-QZWWFDLISA-N	-1	0	378.856	1.862	40	0		GDABRM
CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)c1	ZINC000223016824	570437571	/nfs/dbraw/zinc/43/75/71/570437571.db2.gz	RHXDNLBCIZVEAE-UHFFFAOYSA-N	-1	0	391.449	1.274	40	0		GDABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2cccnc2)s1	ZINC000223339742	570459486	/nfs/dbraw/zinc/45/94/86/570459486.db2.gz	HYKGPBTYDHJXRD-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
COc1ccccc1CNC(=O)[C@@H]1CC(=O)N(c2ccc(OCC(=O)[O-])cc2)C1	ZINC000008732568	570772089	/nfs/dbraw/zinc/77/20/89/570772089.db2.gz	NYBBPAHZNQDGAU-OAHLLOKOSA-N	-1	0	398.415	1.828	40	0		GDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C(=O)[O-])cc2Cl)cc1	ZINC000217729941	531027129	/nfs/dbraw/zinc/02/71/29/531027129.db2.gz	HWCZMWYBXJYROM-UHFFFAOYSA-N	-1	0	384.797	1.703	40	0		GDABRM
CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)c1csc(Br)c1	ZINC000237318003	531045565	/nfs/dbraw/zinc/04/55/65/531045565.db2.gz	FUIMRNQTKJMUFP-UHFFFAOYSA-N	-1	0	389.271	1.906	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@@H]21	ZINC000285062169	532025216	/nfs/dbraw/zinc/02/52/16/532025216.db2.gz	LYPMCQJNEDAXLR-UONOGXRCSA-N	-1	0	388.873	1.440	40	0		GDABRM
CC[C@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000287415940	532214588	/nfs/dbraw/zinc/21/45/88/532214588.db2.gz	FQHHTWDDLUJLCR-STQMWFEESA-N	-1	0	375.468	1.272	40	0		GDABRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)N(C)C)s2)cc1	ZINC000005924942	204157256	/nfs/dbraw/zinc/15/72/56/204157256.db2.gz	GXCCSHXKCWJBSK-UHFFFAOYSA-N	-1	0	382.467	1.913	40	0		GDABRM
CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cccs2)[C@@H](C(=O)[O-])C1	ZINC000038623192	205037359	/nfs/dbraw/zinc/03/73/59/205037359.db2.gz	WACVAYWBRJVJPJ-SNVBAGLBSA-N	-1	0	376.456	1.443	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3cccc(C)c3)no2)s1	ZINC000041152907	205078733	/nfs/dbraw/zinc/07/87/33/205078733.db2.gz	DARXNYJRGBQIJR-UHFFFAOYSA-N	-1	0	394.438	1.333	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccc(C)c(C)c2)s1	ZINC000223404051	206000292	/nfs/dbraw/zinc/00/02/92/206000292.db2.gz	HUJBYYZEVRYGNK-LLVKDONJSA-N	-1	0	384.483	1.859	40	0		GDABRM
CCn1c2ccc(S(=O)(=O)[N-]c3ccccc3C(N)=O)cc2sc1=O	ZINC000225695398	206067282	/nfs/dbraw/zinc/06/72/82/206067282.db2.gz	FGUPFOMPVQFTHI-UHFFFAOYSA-N	-1	0	377.447	1.983	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3cccc(C(=O)[O-])c3)cn2)C1	ZINC000257204065	206159872	/nfs/dbraw/zinc/15/98/72/206159872.db2.gz	ASXWVAGEAIOBPG-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
COc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)CCC(=O)[O-])n2)cc1	ZINC000015675979	560094696	/nfs/dbraw/zinc/09/46/96/560094696.db2.gz	FOBGEQONEVXIOA-HNNXBMFYSA-N	-1	0	397.391	1.959	40	0	biogenic,in-vitro	GDABRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1F	ZINC000585270255	570239192	/nfs/dbraw/zinc/23/91/92/570239192.db2.gz	AWTNIXTUUNZFIC-UHFFFAOYSA-N	-1	0	396.421	1.866	40	0		GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)C1CCC(F)(F)CC1)OCC(=O)N2	ZINC000585270345	570239241	/nfs/dbraw/zinc/23/92/41/570239241.db2.gz	BVSUPNGUCMYXRE-UHFFFAOYSA-N	-1	0	388.392	1.956	40	0		GDABRM
Cn1ncc(Cl)c1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585274495	570243835	/nfs/dbraw/zinc/24/38/35/570243835.db2.gz	ZABRJQMYRYLTPO-UHFFFAOYSA-N	-1	0	386.842	1.106	40	0		GDABRM
CCOC(=O)N[C@@H](c1ccc(OC)c(OC)c1)[P@](=O)([O-])Nc1nc[nH]n1	ZINC000001590131	570265586	/nfs/dbraw/zinc/26/55/86/570265586.db2.gz	AHYRFNKJTVJWTB-GFCCVEGCSA-N	-1	0	385.317	1.864	40	0		GDABRM
O=C(CN1CCCC1=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138565	570267220	/nfs/dbraw/zinc/26/72/20/570267220.db2.gz	ZUJLUEWUDOJYFB-CQSZACIVSA-N	-1	0	397.479	1.642	40	0		GDABRM
COCCNS(=O)(=O)c1ccc(NCCc2ccccc2)c(C(=O)[O-])c1	ZINC000217597843	570318933	/nfs/dbraw/zinc/31/89/33/570318933.db2.gz	OERIOAIWIJQFLF-UHFFFAOYSA-N	-1	0	378.450	1.964	40	0		GDABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)nc1C	ZINC000223282815	570455778	/nfs/dbraw/zinc/45/57/78/570455778.db2.gz	LHZZMYKKIMPYEH-UHFFFAOYSA-N	-1	0	397.434	1.874	40	0		GDABRM
COC(=O)CSc1nn2c([n-]1)nc(-c1ccc(OC)c(OC)c1)cc2=O	ZINC000010338655	570788768	/nfs/dbraw/zinc/78/87/68/570788768.db2.gz	SYTNLELRAVDBOC-UHFFFAOYSA-N	-1	0	376.394	1.367	40	0		GDABRM
O=C([O-])[C@H](Cc1ccccc1)NS(=O)(=O)C1CN(C(=O)C2CCCC2)C1	ZINC000262428267	597706579	/nfs/dbraw/zinc/70/65/79/597706579.db2.gz	NZEFUTYEGDNTGP-INIZCTEOSA-N	-1	0	380.466	1.003	40	0		GDABRM
CC1(C)CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@H](C(F)(F)F)O1	ZINC000583567307	652041657	/nfs/dbraw/zinc/04/16/57/652041657.db2.gz	RONVHZWQDYHFFW-LLVKDONJSA-N	-1	0	382.360	1.578	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]NC(=S)NC(=O)COc2ccccc2)cc1	ZINC000002690719	530533101	/nfs/dbraw/zinc/53/31/01/530533101.db2.gz	AYPCVKFMWGNVMZ-UHFFFAOYSA-N	-1	0	379.463	1.258	40	0		GDABRM
CCOc1c(I)cc(CN=Nc2nnn[n-]2)cc1OC	ZINC000005711580	530539915	/nfs/dbraw/zinc/53/99/15/530539915.db2.gz	XTSQAWQXVFAGLI-UHFFFAOYSA-N	-1	0	388.169	1.658	40	0		GDABRM
Cc1sc2nc3[n-]nc(-c4ccc(S(N)(=O)=O)cc4)n3c(=O)c2c1C	ZINC000100748820	530823474	/nfs/dbraw/zinc/82/34/74/530823474.db2.gz	YGVQIALQURACAV-UHFFFAOYSA-N	-1	0	375.435	1.564	40	0		GDABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)nc1C	ZINC000223282274	531029010	/nfs/dbraw/zinc/02/90/10/531029010.db2.gz	QUEQMAIJCIEUHH-UHFFFAOYSA-N	-1	0	383.451	1.836	40	0		GDABRM
NC(=O)C[C@@H](NC(=O)c1cc(Br)cc(C(=O)[O-])c1)C1CCOCC1	ZINC000262665937	531126461	/nfs/dbraw/zinc/12/64/61/531126461.db2.gz	NKXHULHUILFADI-CYBMUJFWSA-N	-1	0	399.241	1.548	40	0		GDABRM
CCC(=O)N1CCN(c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2Cl)CC1	ZINC000057332465	203811524	/nfs/dbraw/zinc/81/15/24/203811524.db2.gz	CBHSFFCMSRSURN-GFCCVEGCSA-N	-1	0	379.844	1.836	40	0		GDABRM
O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000004269931	204036157	/nfs/dbraw/zinc/03/61/57/204036157.db2.gz	FVIONIWGOONASI-DVOMOZLQSA-N	-1	0	381.310	1.891	40	0		GDABRM
CN(Cc1nc(N)cc(SCC(=O)[O-])n1)S(=O)(=O)c1ccc(F)cc1	ZINC000049470231	205128911	/nfs/dbraw/zinc/12/89/11/205128911.db2.gz	WSKZFMRLAQTFIY-UHFFFAOYSA-N	-1	0	386.430	1.195	40	0		GDABRM
CCc1nnc([N-]c2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1	ZINC000072360309	205334016	/nfs/dbraw/zinc/33/40/16/205334016.db2.gz	RSCZDKNZYNCSML-LBPRGKRZSA-N	-1	0	397.530	1.886	40	0		GDABRM
Cc1cc(N2CCC[C@@](O)(CN(C)C(=O)/C=C/C(=O)[O-])C2)c2cnccc2n1	ZINC000257285744	206172452	/nfs/dbraw/zinc/17/24/52/206172452.db2.gz	PIPKNPAPGZGUPH-DPZZJQGRSA-N	-1	0	384.436	1.369	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257231782	206162833	/nfs/dbraw/zinc/16/28/33/206162833.db2.gz	GIFDZPMPGKJIFV-HNNXBMFYSA-N	-1	0	390.465	1.828	40	0		GDABRM
O=C([O-])COc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cccn4nccc34)C2)c1	ZINC000257265606	206170510	/nfs/dbraw/zinc/17/05/10/206170510.db2.gz	LZJUADVXTJUDSE-APWZRJJASA-N	-1	0	395.415	1.473	40	0		GDABRM
Nc1nc2c(c(N)n1)C[C@@]1(CCCN(C(=O)c3ccccc3C(=O)[O-])CC1)O2	ZINC000257276927	206170682	/nfs/dbraw/zinc/17/06/82/206170682.db2.gz	NVSLGMJLUIEXKU-IBGZPJMESA-N	-1	0	383.408	1.339	40	0		GDABRM
CC(=O)NCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1	ZINC000663255180	570253754	/nfs/dbraw/zinc/25/37/54/570253754.db2.gz	JFHJWPAWZRIJCX-INIZCTEOSA-N	-1	0	394.474	1.757	40	0		GDABRM
Cn1nnnc1SCc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1	ZINC000100071842	570265693	/nfs/dbraw/zinc/26/56/93/570265693.db2.gz	GFULGJXAOSNOES-UHFFFAOYSA-N	-1	0	386.466	1.526	40	0		GDABRM
CCc1c(C)nc2cc([C@@H]3CCCN(C(=O)CCn4cncn4)C3)[n-]n2c1=O	ZINC000100138400	570267241	/nfs/dbraw/zinc/26/72/41/570267241.db2.gz	VCTLSIQTBIUSSF-CQSZACIVSA-N	-1	0	383.456	1.694	40	0		GDABRM
COc1ccc(CCNc2ccc(S(=O)(=O)NCCO)cc2C(=O)[O-])cc1	ZINC000217590479	570318875	/nfs/dbraw/zinc/31/88/75/570318875.db2.gz	ABZJULDHLBFKNS-UHFFFAOYSA-N	-1	0	394.449	1.319	40	0		GDABRM
CCOCCCNc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1C(=O)[O-]	ZINC000217634764	570319545	/nfs/dbraw/zinc/31/95/45/570319545.db2.gz	LPTUEOTWDKSFRI-CYBMUJFWSA-N	-1	0	386.470	1.681	40	0		GDABRM
Cc1c(Cl)cccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCOCC2)c1=O	ZINC000222666898	570419692	/nfs/dbraw/zinc/41/96/92/570419692.db2.gz	JJOBMYWFHNDUMO-UHFFFAOYSA-N	-1	0	379.800	1.018	40	0		GDABRM
Cc1cc(Cl)ccc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCOCC2)c1=O	ZINC000222667358	570419698	/nfs/dbraw/zinc/41/96/98/570419698.db2.gz	FRSBQTSQZGALDU-UHFFFAOYSA-N	-1	0	379.800	1.018	40	0		GDABRM
Cc1c2c(cc(=O)n1C[C@H]1CCCO1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000213025823	570424475	/nfs/dbraw/zinc/42/44/75/570424475.db2.gz	VRKBGORHURMANH-GFCCVEGCSA-O	-1	0	383.453	1.832	40	0		GDABRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)c3cccc4ncccc43)cc2n(C)c1=O	ZINC000186112992	570528260	/nfs/dbraw/zinc/52/82/60/570528260.db2.gz	FQBFSAWHSGIDDZ-UHFFFAOYSA-N	-1	0	396.428	1.544	40	0		GDABRM
CC[C@@H](C)[C@@H](NC(=O)[C@@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000006907991	570676155	/nfs/dbraw/zinc/67/61/55/570676155.db2.gz	OGVIIIBTINXGHG-KCPJHIHWSA-N	-1	0	375.425	1.915	40	0		GDABRM
CC(C)(CC1=NC(=C2C=CC(=O)C=N2)NO1)C(=O)NC1=C(C(=O)[O-])CCCC1	ZINC000136390589	570905436	/nfs/dbraw/zinc/90/54/36/570905436.db2.gz	PHGMXUSKLSOOBC-JQIJEIRASA-N	-1	0	386.408	1.744	40	0		GDABRM
CCOc1ccc(N2C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000016899837	570934814	/nfs/dbraw/zinc/93/48/14/570934814.db2.gz	CZMOXSLQDAJCMH-ZIAGYGMSSA-N	-1	0	380.422	1.040	40	0		GDABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)OC)C2=O)ccc1OCC(=O)[O-]	ZINC000205765955	570949384	/nfs/dbraw/zinc/94/93/84/570949384.db2.gz	ACJMGPDYHLQVMS-NTUHNPAUSA-N	-1	0	395.389	1.758	40	0		GDABRM
COc1cc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)cc(OC)c1	ZINC000328966880	571047547	/nfs/dbraw/zinc/04/75/47/571047547.db2.gz	CONOQXXJRJBUTA-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
Cc1nc([N-]S(=O)(=O)c2ccccc2)sc1NC(=O)Nc1cn[nH]c1	ZINC000006088818	204164674	/nfs/dbraw/zinc/16/46/74/204164674.db2.gz	GCJNQASHLUFGTM-UHFFFAOYSA-N	-1	0	378.439	1.813	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)N1CCN2C(=O)N(Cc3ccccc3)C(=O)[C@H]2C1	ZINC000005433718	205767826	/nfs/dbraw/zinc/76/78/26/205767826.db2.gz	DKHBLLPFNPHIFI-OAHLLOKOSA-N	-1	0	387.436	1.553	40	0	biogenic,in-vitro	GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(OC)ccc2OC)c1	ZINC000223677910	206004088	/nfs/dbraw/zinc/00/40/88/206004088.db2.gz	ZWSUYKQFFXNUHJ-UHFFFAOYSA-N	-1	0	380.422	1.873	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(Cl)cc2)s1	ZINC000225113536	206036664	/nfs/dbraw/zinc/03/66/64/206036664.db2.gz	GSHCXUXVTAGSEC-UHFFFAOYSA-N	-1	0	376.847	1.507	40	0		GDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N1CCN(Cc2ccccc2)CC1	ZINC000225878574	206083149	/nfs/dbraw/zinc/08/31/49/206083149.db2.gz	PFDYOWJRIYUQBH-UHFFFAOYSA-N	-1	0	394.522	1.781	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1cnc(-c2cncc(C(=O)[O-])c2)cn1	ZINC000257301593	206174555	/nfs/dbraw/zinc/17/45/55/206174555.db2.gz	RZBLJNWGFYOZLS-OAHLLOKOSA-N	-1	0	377.426	1.180	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cncc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000257254871	206168689	/nfs/dbraw/zinc/16/86/89/206168689.db2.gz	KFANVYBMMBDGEV-INIZCTEOSA-N	-1	0	376.438	1.785	40	0		GDABRM
COC(=O)CN1C(=O)N/C(=C\c2cc(Br)cc(Cl)c2[O-])C1=O	ZINC000408549560	533502056	/nfs/dbraw/zinc/50/20/56/533502056.db2.gz	UTFYMXRCFQZBPQ-OQFOIZHKSA-N	-1	0	389.589	1.874	40	0		GDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1ccc(OCC(=O)[O-])c(OCC)c1	ZINC000408987848	528617793	/nfs/dbraw/zinc/61/77/93/528617793.db2.gz	ZCQOGNSIAGRPPT-MRXNPFEDSA-N	-1	0	394.449	1.905	40	0		GDABRM
O=C(CN1CCCC1=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138570	570267195	/nfs/dbraw/zinc/26/71/95/570267195.db2.gz	ZUJLUEWUDOJYFB-AWEZNQCLSA-N	-1	0	397.479	1.642	40	0		GDABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)CC)s1	ZINC000224453055	570513417	/nfs/dbraw/zinc/51/34/17/570513417.db2.gz	TVOKLYWTNDAUAY-UHFFFAOYSA-N	-1	0	397.482	1.827	40	0		GDABRM
O=C([O-])c1csc(S(=O)(=O)N2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1	ZINC000262553813	600258128	/nfs/dbraw/zinc/25/81/28/600258128.db2.gz	XTHWUOMRHODMDO-LBPRGKRZSA-N	-1	0	384.479	1.636	40	0		GDABRM
COCCO[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1	ZINC000509051331	648265400	/nfs/dbraw/zinc/26/54/00/648265400.db2.gz	MUXFHIALQORKCA-LBPRGKRZSA-N	-1	0	377.846	1.854	40	0		GDABRM
O=c1cc(CSc2nnnn2-c2ccccc2)nc2[n-]c(C(F)(F)F)nn21	ZINC000105329850	231017392	/nfs/dbraw/zinc/01/73/92/231017392.db2.gz	WVNZZKGILBAXEQ-UHFFFAOYSA-N	-1	0	394.342	1.704	40	0		GDABRM
CC1=[N+](CCCCS(=O)(=O)[O-])c2ccc(S(=O)(=O)[O-])cc2C1(C)C	ZINC000036644040	530615043	/nfs/dbraw/zinc/61/50/43/530615043.db2.gz	AZNKMUGIRVLVAD-UHFFFAOYSA-O	-1	0	376.476	1.997	40	0		GDABRM
NC(=O)c1cc(I)c([O-])c(I)c1	ZINC000032291126	530605709	/nfs/dbraw/zinc/60/57/09/530605709.db2.gz	CTSGRORCMHYJRP-UHFFFAOYSA-N	-1	0	388.930	1.700	40	0	in-vitro	GDABRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCN(CC(F)(F)F)C1	ZINC000324781905	532074497	/nfs/dbraw/zinc/07/44/97/532074497.db2.gz	BEXFIMFQWXKGCV-VIFPVBQESA-N	-1	0	386.417	1.917	40	0		GDABRM
CC[C@@H](Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000004223193	204032731	/nfs/dbraw/zinc/03/27/31/204032731.db2.gz	HOCWPKXKMNXINF-BRXULGCHSA-N	-1	0	378.450	1.476	40	0		GDABRM
CC(C)[C@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000041058354	205076392	/nfs/dbraw/zinc/07/63/92/205076392.db2.gz	ZFERFIDJVFWNJK-CABCVRRESA-N	-1	0	386.445	1.594	40	0		GDABRM
CS(=O)(=O)N(Cc1ccccc1)Cc1ncc(C(=O)[O-])c(N2CCCC2)n1	ZINC000049469096	205127805	/nfs/dbraw/zinc/12/78/05/205127805.db2.gz	MQIGFQGQTGWCKI-UHFFFAOYSA-N	-1	0	390.465	1.737	40	0		GDABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)CC)s1	ZINC000223901220	206009472	/nfs/dbraw/zinc/00/94/72/206009472.db2.gz	KBGBZBKFUYVNBT-UHFFFAOYSA-N	-1	0	384.439	1.864	40	0		GDABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C[C@@H]3CCCO3)s2)cc1	ZINC000224262106	206018223	/nfs/dbraw/zinc/01/82/23/206018223.db2.gz	GCOZLHKBWGFGGW-LBPRGKRZSA-N	-1	0	382.467	1.556	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCCO3)cc1	ZINC000224862991	206029490	/nfs/dbraw/zinc/02/94/90/206029490.db2.gz	FJSQSCXWOMDSDJ-UHFFFAOYSA-N	-1	0	379.390	1.746	40	0		GDABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3cccnc3)s2)cc1	ZINC000225705478	206069585	/nfs/dbraw/zinc/06/95/85/206069585.db2.gz	YRDCCJNTCOFFKF-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)s1	ZINC000225661826	206064740	/nfs/dbraw/zinc/06/47/40/206064740.db2.gz	HKFASTZIMZYTRT-UHFFFAOYSA-N	-1	0	392.466	1.551	40	0		GDABRM
CC(=O)Nc1ccc(S(=O)(=O)[N-]n2c(C)nc3ccc(N)cc3c2=O)cc1	ZINC000255189134	206150983	/nfs/dbraw/zinc/15/09/83/206150983.db2.gz	NYVRFHNFXZBVDM-UHFFFAOYSA-N	-1	0	387.421	1.178	40	0		GDABRM
CC(=O)N[C@H]1C[C@@H](C(=O)[O-])N(CC(=O)NC2CCCCC2)[C@H]1c1ccccc1	ZINC000257261145	206168057	/nfs/dbraw/zinc/16/80/57/206168057.db2.gz	LFXYVVUIFVHJTL-BJLQDIEVSA-N	-1	0	387.480	1.840	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257320019	206178146	/nfs/dbraw/zinc/17/81/46/206178146.db2.gz	VVAKENYWPBULJA-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
C[C@H](C(=O)[O-])[C@@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(N)=O	ZINC000299817121	206193070	/nfs/dbraw/zinc/19/30/70/206193070.db2.gz	DQRRHTCQQGYUSD-BLLLJJGKSA-N	-1	0	386.452	1.921	40	0	in-vitro	GDABRM
COc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])nc(SC)n1	ZINC000079439850	136173124	/nfs/dbraw/zinc/17/31/24/136173124.db2.gz	IMXGWXNOTKUUHQ-JTQLQIEISA-N	-1	0	384.458	1.717	40	0		GDABRM
Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c1	ZINC000585273572	570242190	/nfs/dbraw/zinc/24/21/90/570242190.db2.gz	SLKOHSKLBPGGPP-LLVKDONJSA-N	-1	0	375.406	1.537	40	0		GDABRM
O=C(CCn1cncn1)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138558	570267075	/nfs/dbraw/zinc/26/70/75/570267075.db2.gz	RYYOKMNPUABVLX-AWEZNQCLSA-N	-1	0	395.467	1.702	40	0		GDABRM
C[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217767	570269183	/nfs/dbraw/zinc/26/91/83/570269183.db2.gz	ADTIUUDHIMKLCW-GHMZBOCLSA-N	-1	0	380.470	1.344	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(C=O)CC2)cc1	ZINC000013613275	570762849	/nfs/dbraw/zinc/76/28/49/570762849.db2.gz	HGQQKHVDJOSMBK-UHFFFAOYSA-N	-1	0	387.461	1.710	40	0		GDABRM
CN(Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1)S(C)(=O)=O	ZINC000014398063	570883498	/nfs/dbraw/zinc/88/34/98/570883498.db2.gz	DXFDTCNJLHISMP-UHFFFAOYSA-N	-1	0	392.433	1.794	40	0		GDABRM
Cc1cc2nc([C@H](C)NC(=O)[C@@H]3CC(=O)N(Cc4cccnc4)C3)cc(=O)n2[n-]1	ZINC000019129651	570957854	/nfs/dbraw/zinc/95/78/54/570957854.db2.gz	ICCLMXCWWAZYGO-DZGCQCFKSA-N	-1	0	394.435	1.364	40	0		GDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccccc2OCC(=O)Nc2ccccc2)C1=O	ZINC000408596416	231072658	/nfs/dbraw/zinc/07/26/58/231072658.db2.gz	YYBISKBNRQHZTK-XNTDXEJSSA-N	-1	0	395.371	1.681	40	0		GDABRM
CCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000013249948	530558290	/nfs/dbraw/zinc/55/82/90/530558290.db2.gz	VVQGXMXTILEDSZ-AWEZNQCLSA-N	-1	0	389.495	1.671	40	0		GDABRM
O=C([O-])c1cc(Br)cc(C(=O)NC2CCS(=O)(=O)CC2)c1	ZINC000262618973	531125838	/nfs/dbraw/zinc/12/58/38/531125838.db2.gz	CIMDXFXFPSQPMS-UHFFFAOYSA-N	-1	0	376.228	1.454	40	0		GDABRM
COc1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(CCC(=O)[O-])C3=O)cc1	ZINC000008215246	206741187	/nfs/dbraw/zinc/74/11/87/206741187.db2.gz	KNABOIDRRUYDSN-UHFFFAOYSA-N	-1	0	398.371	1.783	40	0		GDABRM
Cc1noc([N-]S(=O)(=O)c2ccc(N=C3c4ccccc4NC3=O)cc2)c1C	ZINC000016951373	207079720	/nfs/dbraw/zinc/07/97/20/207079720.db2.gz	FGUMXQPNQOHZAO-UHFFFAOYSA-N	-1	0	396.428	1.472	40	0		GDABRM
CCCCOC(=O)c1ccc(NC(=O)C[C@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1	ZINC000020635059	207209626	/nfs/dbraw/zinc/20/96/26/207209626.db2.gz	FAHKYRCAHLAKIP-UONOGXRCSA-N	-1	0	394.449	1.657	40	0		GDABRM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000021010318	207224807	/nfs/dbraw/zinc/22/48/07/207224807.db2.gz	RCVIGOYVLAOWMR-AWEZNQCLSA-N	-1	0	387.458	1.799	40	0		GDABRM
CSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)(C)C)s2)s1	ZINC000225149956	533089912	/nfs/dbraw/zinc/08/99/12/533089912.db2.gz	SKZKCNPDSKQSKJ-UHFFFAOYSA-N	-1	0	394.529	1.897	40	0		GDABRM
CCOC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)c1	ZINC000223188621	208894073	/nfs/dbraw/zinc/89/40/73/208894073.db2.gz	WBKLTZORRYMPHH-UHFFFAOYSA-N	-1	0	384.439	1.864	40	0		GDABRM
O=C([O-])CCC(=O)NC[C@H]1Cn2c(-c3ccc4c(c3)OCCO4)cnc2CO1	ZINC000096296408	209014415	/nfs/dbraw/zinc/01/44/15/209014415.db2.gz	NQUGTZVCHKDOFJ-ZDUSSCGKSA-N	-1	0	387.392	1.201	40	0	biogenic,in-vitro	GDABRM
O=C([O-])COc1ccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)cc1	ZINC000256028213	209046808	/nfs/dbraw/zinc/04/68/08/209046808.db2.gz	YYQXTHJLSYDSCU-ZROIWOOFSA-N	-1	0	380.385	1.224	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257292777	209068998	/nfs/dbraw/zinc/06/89/98/209068998.db2.gz	QMYAPDZEJPFIGH-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cccc(C(=O)[O-])c3)n2)CC1	ZINC000257309298	209073277	/nfs/dbraw/zinc/07/32/77/209073277.db2.gz	UAJQIZPUUQHIOD-UHFFFAOYSA-N	-1	0	390.465	1.828	40	0		GDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)on1	ZINC000585274466	570243903	/nfs/dbraw/zinc/24/39/03/570243903.db2.gz	YEXZYUBADITZLQ-VIFPVBQESA-N	-1	0	379.394	1.384	40	0		GDABRM
Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000003849229	570352216	/nfs/dbraw/zinc/35/22/16/570352216.db2.gz	XVYGLIKZZZCIQR-WMLDXEAASA-N	-1	0	378.340	1.820	40	0		GDABRM
CCOC(=O)Cc1[n-]c(C(=O)OCC)c(CC(=O)OCC)c1C(=O)OCC	ZINC000005698996	570451739	/nfs/dbraw/zinc/45/17/39/570451739.db2.gz	JGZKATZTZSXCNA-UHFFFAOYSA-N	-1	0	383.397	1.579	40	0		GDABRM
O=C([O-])CCCN1C(=O)[C@@H]2[C@H]3C[C@H]([C@@H]4Sc5[nH]c(=O)sc5C=C34)[C@H]2C1=O	ZINC000006606233	570484286	/nfs/dbraw/zinc/48/42/86/570484286.db2.gz	UYCJPKURVIQLEP-LAMONCOESA-N	-1	0	392.458	1.410	40	0		GDABRM
CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000223936153	570490977	/nfs/dbraw/zinc/49/09/77/570490977.db2.gz	VDAFXGZAEWRIDL-SECBINFHSA-N	-1	0	397.482	1.826	40	0		GDABRM
Cc1nc([N-]S(C)(=O)=O)sc1C(=O)N1CCN(c2ccccc2F)CC1	ZINC000225878626	570629898	/nfs/dbraw/zinc/62/98/98/570629898.db2.gz	WLZANPZCJUYZOH-UHFFFAOYSA-N	-1	0	398.485	1.925	40	0		GDABRM
Cc1nonc1CC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CCCC3	ZINC000012337037	570644584	/nfs/dbraw/zinc/64/45/84/570644584.db2.gz	JTBYLQINHCZWCV-MRXNPFEDSA-N	-1	0	382.424	1.911	40	0		GDABRM
O=C([O-])CN1CCCC[C@@H](N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O	ZINC000643872905	570671751	/nfs/dbraw/zinc/67/17/51/570671751.db2.gz	MYFVIHISVOJUDU-MRXNPFEDSA-N	-1	0	395.406	1.188	40	0		GDABRM
CC(=O)NC1C(=O)N=C(S[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)N=C1[O-]	ZINC000013565065	570758782	/nfs/dbraw/zinc/75/87/82/570758782.db2.gz	CPKISXVZFKFDON-VIFPVBQESA-N	-1	0	390.421	1.756	40	0		GDABRM
COCCCNC(=O)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[n-]1	ZINC000013086428	570821351	/nfs/dbraw/zinc/82/13/51/570821351.db2.gz	QGUFFARHHFHGAR-UHFFFAOYSA-N	-1	0	376.804	1.395	40	0		GDABRM
Cc1cc(S(=O)(=O)N2CCC(CN3CCOCC3)CC2)ccc1C(=O)[O-]	ZINC000285259880	600712616	/nfs/dbraw/zinc/71/26/16/600712616.db2.gz	ZRVUQSZXOGGJAI-UHFFFAOYSA-N	-1	0	382.482	1.426	40	0		GDABRM
CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1	ZINC000006490183	230848525	/nfs/dbraw/zinc/84/85/25/230848525.db2.gz	OCGUGOBSTRYBOF-RQJABVFESA-N	-1	0	378.429	1.106	40	0		GDABRM
O=C([O-])CN1C(=O)N/C(=C/c2cc(Br)c(Br)o2)C1=O	ZINC000408593822	231071934	/nfs/dbraw/zinc/07/19/34/231071934.db2.gz	ROCDPAOKTHRZFD-QHHAFSJGSA-N	-1	0	393.975	1.782	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(I)cc2)[C@H]2C=C[C@@H]1O2	ZINC000004990099	530538360	/nfs/dbraw/zinc/53/83/60/530538360.db2.gz	FKOFLTTVBNVPTE-RHYQMDGZSA-N	-1	0	385.157	1.884	40	0		GDABRM
C[C@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CCC(=O)N1	ZINC000414344803	531441939	/nfs/dbraw/zinc/44/19/39/531441939.db2.gz	KODMVXPHYMEWMJ-CYBMUJFWSA-N	-1	0	380.344	1.351	40	0		GDABRM
CCc1nnc([N-]c2cc([C@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1	ZINC000072360310	208003564	/nfs/dbraw/zinc/00/35/64/208003564.db2.gz	RSCZDKNZYNCSML-GFCCVEGCSA-N	-1	0	397.530	1.886	40	0		GDABRM
CCC(=O)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100234910	208373569	/nfs/dbraw/zinc/37/35/69/208373569.db2.gz	JAVKAFBUBRYJIF-MRXNPFEDSA-N	-1	0	383.452	1.803	40	0		GDABRM
COc1ccc(NC(=O)CN2C(=O)S[C@@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000101375868	208392291	/nfs/dbraw/zinc/39/22/91/208392291.db2.gz	LOGMKXVTFRKHHW-QWRGUYRKSA-N	-1	0	395.418	1.049	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257248410	209059137	/nfs/dbraw/zinc/05/91/37/209059137.db2.gz	JDOCTITZMZDICV-HNNXBMFYSA-N	-1	0	390.465	1.828	40	0		GDABRM
O=C([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NCc2ccccc2)c1	ZINC000217473783	136203355	/nfs/dbraw/zinc/20/33/55/136203355.db2.gz	XNFHCXKIYIGFKK-UHFFFAOYSA-N	-1	0	376.434	1.700	40	0		GDABRM
CS(=O)(=O)N1CCC[C@@H](Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257321394	209075075	/nfs/dbraw/zinc/07/50/75/209075075.db2.gz	WBMJAJACSPUIFN-LBPRGKRZSA-N	-1	0	376.438	1.451	40	0		GDABRM
Cc1ccc(NC(=O)CN2C[C@@H](O)[C@H](Oc3cccc(C(=O)[O-])c3)C2)cc1F	ZINC000257337647	209078365	/nfs/dbraw/zinc/07/83/65/209078365.db2.gz	YTTFMWGPXCMNSH-QZTJIDSGSA-N	-1	0	388.395	1.895	40	0		GDABRM
CCOC(=O)COc1ccc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OCC	ZINC000408595336	528841195	/nfs/dbraw/zinc/84/11/95/528841195.db2.gz	WEWNJAMMRQRQRM-KPKJPENVSA-N	-1	0	392.364	1.005	40	0		GDABRM
CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](CC)O3)no1	ZINC000585280766	570249332	/nfs/dbraw/zinc/24/93/32/570249332.db2.gz	AKSJSLJREYGDHN-AWEZNQCLSA-N	-1	0	393.421	1.855	40	0		GDABRM
O=C(N[C@H](Cc1nnn[n-]1)C(=O)OCc1ccccc1)OCc1ccccc1	ZINC000006575100	570483904	/nfs/dbraw/zinc/48/39/04/570483904.db2.gz	YICSHUMUQRYNOO-MRXNPFEDSA-N	-1	0	381.392	1.781	40	0		GDABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccccn3)s2)c1	ZINC000225043688	570545004	/nfs/dbraw/zinc/54/50/04/570545004.db2.gz	ZXSGYBFHCQWSMX-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C(=O)NC(C)C	ZINC000010009059	570564678	/nfs/dbraw/zinc/56/46/78/570564678.db2.gz	QKDBAXVBNKWXMS-UHFFFAOYSA-N	-1	0	391.449	1.733	40	0		GDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)Cn3cccnc3=O)cc2n1	ZINC000012161392	570618890	/nfs/dbraw/zinc/61/88/90/570618890.db2.gz	HJOAWLKWBDSPQP-OAHLLOKOSA-N	-1	0	382.424	1.308	40	0		GDABRM
O=C([O-])c1cnc(COc2ccc(S(=O)(=O)N3CCCCC3)cc2)[nH]c1=O	ZINC000226105155	570641626	/nfs/dbraw/zinc/64/16/26/570641626.db2.gz	GFWJYDQKZJEGDS-UHFFFAOYSA-N	-1	0	393.421	1.222	40	0		GDABRM
COc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccc(NC(C)=O)cc1	ZINC000008729438	570771550	/nfs/dbraw/zinc/77/15/50/570771550.db2.gz	ISJGBUCCLOIJQC-UHFFFAOYSA-N	-1	0	378.406	1.934	40	0		GDABRM
O=C([N-]C(=O)c1cccc(OC(F)(F)C(F)F)c1)O[C@H]1CCS(=O)(=O)C1	ZINC000003622276	570878193	/nfs/dbraw/zinc/87/81/93/570878193.db2.gz	BRNZCGRNCRHFRZ-JTQLQIEISA-N	-1	0	399.318	1.977	40	0		GDABRM
NC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)sc2c1CCCCC2	ZINC000017077376	570916934	/nfs/dbraw/zinc/91/69/34/570916934.db2.gz	SOHZVDDTMVVBAV-PJQZNRQZSA-N	-1	0	378.450	1.933	40	0		GDABRM
COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(S(=O)(=O)Cc1ccon1)CC2	ZINC000275088160	600764677	/nfs/dbraw/zinc/76/46/77/600764677.db2.gz	GDUDIGXYHYBFJO-AWEZNQCLSA-N	-1	0	396.421	1.596	40	0		GDABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@H]2CCCO2)s1	ZINC000225872686	231036113	/nfs/dbraw/zinc/03/61/13/231036113.db2.gz	VXQFEMCCOYNDGD-LLVKDONJSA-N	-1	0	382.467	1.556	40	0		GDABRM
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1	ZINC000013078322	530558197	/nfs/dbraw/zinc/55/81/97/530558197.db2.gz	PMIFXKVWKMFUHI-UHFFFAOYSA-N	-1	0	384.435	1.152	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2nnc(SCC(C)C)s2)s1	ZINC000225847466	531031971	/nfs/dbraw/zinc/03/19/71/531031971.db2.gz	FFIOAPZGFSJMMW-UHFFFAOYSA-N	-1	0	394.529	1.897	40	0		GDABRM
CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000563642608	531858481	/nfs/dbraw/zinc/85/84/81/531858481.db2.gz	XCLSYNHVPKHFOK-CYBMUJFWSA-N	-1	0	375.468	1.281	40	0		GDABRM
CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])N(C)C(=O)[C@@H](O)Cc1ccccc1	ZINC000252516256	206281818	/nfs/dbraw/zinc/28/18/18/206281818.db2.gz	QXLPHJAUIZITEO-YESZJQIVSA-N	-1	0	376.453	1.149	40	0	biogenic,in-vitro	GDABRM
COc1ccccc1N1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1	ZINC000013340127	206972779	/nfs/dbraw/zinc/97/27/79/206972779.db2.gz	YCUVRFLXIDSMLO-UHFFFAOYSA-N	-1	0	376.434	1.904	40	0		GDABRM
COc1cc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)cc(OC)c1	ZINC000328965531	532963216	/nfs/dbraw/zinc/96/32/16/532963216.db2.gz	CDTVRWPHFITHLE-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
Cn1cc(C(=O)N2CCO[C@@H](c3cccc([N-]c4nncs4)n3)C2)ccc1=O	ZINC000257275887	209066459	/nfs/dbraw/zinc/06/64/59/209066459.db2.gz	NRJVFZZVQRBDHA-CQSZACIVSA-N	-1	0	398.448	1.589	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cc(-c3ccc(C(=O)[O-])cc3)ncn2)C1	ZINC000257305620	209072873	/nfs/dbraw/zinc/07/28/73/209072873.db2.gz	SQUXDUZWNISPLJ-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cc1cncc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)c1	ZINC000585273578	570242158	/nfs/dbraw/zinc/24/21/58/570242158.db2.gz	SLKOHSKLBPGGPP-NSHDSACASA-N	-1	0	375.406	1.537	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cnc(C)nc3C)cc2NC1=O	ZINC000585281619	570248169	/nfs/dbraw/zinc/24/81/69/570248169.db2.gz	NKKMIGFVSFXXRZ-AWEZNQCLSA-N	-1	0	390.421	1.322	40	0		GDABRM
Cn1cc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c(C(=O)NCc2ccco2)n1	ZINC000006828060	570286754	/nfs/dbraw/zinc/28/67/54/570286754.db2.gz	OANPDOHXNVARFN-PKIAMQTDSA-N	-1	0	386.408	1.629	40	0		GDABRM
Cc1ccc([C@H]2C3SC(=O)N=C3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000004597835	570386748	/nfs/dbraw/zinc/38/67/48/570386748.db2.gz	NIYGOCRPJPNRPP-NQBHXWOUSA-N	-1	0	390.442	1.833	40	0		GDABRM
COC(=O)C(=O)[C@H]1CCc2c1c1c(=O)n(-c3ccccc3)nc-1[n-]c2C(=O)OC	ZINC000005664055	570450629	/nfs/dbraw/zinc/45/06/29/570450629.db2.gz	CALCQCBQNLMHDS-LBPRGKRZSA-N	-1	0	395.371	1.272	40	0		GDABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(OCC(N)=O)cc2)nc1C	ZINC000223301099	570457155	/nfs/dbraw/zinc/45/71/55/570457155.db2.gz	KOZLTWWUVBNLSP-UHFFFAOYSA-N	-1	0	399.450	1.293	40	0		GDABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccn2)s1	ZINC000224487381	570515495	/nfs/dbraw/zinc/51/54/95/570515495.db2.gz	IKXIGYOMTVEXEM-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2O3)CC1	ZINC000225742976	570611961	/nfs/dbraw/zinc/61/19/61/570611961.db2.gz	OAFVEHMMPYZIOD-HZMVEIRTSA-N	-1	0	376.840	1.951	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3C)no2)s1	ZINC000041152679	570615944	/nfs/dbraw/zinc/61/59/44/570615944.db2.gz	LNPXYPZQUAVSDF-UHFFFAOYSA-N	-1	0	394.438	1.333	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@@H]1CCN(C(=O)COC[C@H]3CCCO3)C1)cc2=O	ZINC000012276425	570632485	/nfs/dbraw/zinc/63/24/85/570632485.db2.gz	FPSKWTMTACYZRV-HUUCEWRRSA-N	-1	0	388.468	1.817	40	0		GDABRM
CC1(C)Oc2c(O)cccc2[C@@H]2O[C@@H]3CCN(C(=O)COCC(=O)[O-])[C@@H]3C[C@H]21	ZINC000257229084	570764579	/nfs/dbraw/zinc/76/45/79/570764579.db2.gz	FWPZTDJZSWEXBN-GGKPKWOWSA-N	-1	0	391.420	1.712	40	0		GDABRM
CC1(C)CN(c2ccc(S(N)(=O)=O)cc2C(=O)[O-])C[C@@H](C(F)(F)F)O1	ZINC000583567308	652041859	/nfs/dbraw/zinc/04/18/59/652041859.db2.gz	RONVHZWQDYHFFW-NSHDSACASA-N	-1	0	382.360	1.578	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCN([C@H](C(=O)[O-])c3ccsc3)CC2)cc1	ZINC000575875164	974803067	/nfs/dbraw/zinc/80/30/67/974803067.db2.gz	WLBMDIDCRMKRSU-INIZCTEOSA-N	-1	0	396.490	1.889	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)NC[C@@H]3CCCO3)cn2)cc1	ZINC000408535154	231053547	/nfs/dbraw/zinc/05/35/47/231053547.db2.gz	YCUULFIENJZMDZ-AWEZNQCLSA-N	-1	0	376.438	1.495	40	0		GDABRM
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013069240	530558494	/nfs/dbraw/zinc/55/84/94/530558494.db2.gz	DMBCEHKBHHDSMM-JTQLQIEISA-N	-1	0	381.859	1.236	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)c2ccc3c(c2)OCCO3)s1	ZINC000222742246	531028607	/nfs/dbraw/zinc/02/86/07/531028607.db2.gz	CQMHJLDUBQOXOP-MRVPVSSYSA-N	-1	0	384.439	1.307	40	0		GDABRM
COc1ccc(NS(=O)(=O)c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2)cc1	ZINC000032081069	206256985	/nfs/dbraw/zinc/25/69/85/206256985.db2.gz	NIEXYLVJENKOBD-LBPRGKRZSA-N	-1	0	390.417	1.934	40	0		GDABRM
CC(C)[C@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001576002	206385832	/nfs/dbraw/zinc/38/58/32/206385832.db2.gz	LYALYFZHXCPBAR-CVEARBPZSA-N	-1	0	388.424	1.473	40	0		GDABRM
Cc1[n-]n2c(nc(CC(=O)NCCN3CCOCC3)cc2=O)c1-c1ccccc1	ZINC000306139239	209106241	/nfs/dbraw/zinc/10/62/41/209106241.db2.gz	SSZGGVCAVHEFJU-UHFFFAOYSA-N	-1	0	395.463	1.401	40	0		GDABRM
CC(C)(C)OC(=O)N1CCN(c2ccc3ncn(CC(=O)[O-])c(=O)c3c2)CC1	ZINC000016697268	207077731	/nfs/dbraw/zinc/07/77/31/207077731.db2.gz	ABVMZUQYWFDMMH-UHFFFAOYSA-N	-1	0	388.424	1.538	40	0		GDABRM
COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000018180158	207093963	/nfs/dbraw/zinc/09/39/63/207093963.db2.gz	CLLMNRTZGYVVMF-YOEHRIQHSA-N	-1	0	394.339	1.521	40	0		GDABRM
CCC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100234913	208374462	/nfs/dbraw/zinc/37/44/62/208374462.db2.gz	JAVKAFBUBRYJIF-INIZCTEOSA-N	-1	0	383.452	1.803	40	0		GDABRM
COc1ccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)[O-])cc3)C2)cc1	ZINC000008732572	208725509	/nfs/dbraw/zinc/72/55/09/208725509.db2.gz	CYWKTVFMJOOGSR-OAHLLOKOSA-N	-1	0	398.415	1.828	40	0		GDABRM
CC(=O)N[C@H]1C[C@@H](C(=O)[O-])N(CC(=O)Nc2cc(C)n(C)n2)[C@H]1c1ccccc1	ZINC000257248952	209060340	/nfs/dbraw/zinc/06/03/40/209060340.db2.gz	JFYNAWBORVUUOE-BXWFABGCSA-N	-1	0	399.451	1.072	40	0		GDABRM
Cc1cc(N2CCC[C@](O)(CNC(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257273335	209064992	/nfs/dbraw/zinc/06/49/92/209064992.db2.gz	NGDRHTHTJIWHSA-FQEVSTJZSA-N	-1	0	386.452	1.641	40	0		GDABRM
CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1ccc(F)cc1	ZINC000224346661	136206796	/nfs/dbraw/zinc/20/67/96/136206796.db2.gz	DTXXLLYMYRWCOG-UHFFFAOYSA-N	-1	0	381.433	1.319	40	0		GDABRM
O=C([O-])C[C@@H]1CCN(C(=O)C2CCOCC2)C[C@@H]1Cc1nc2cc[nH]cc-2n1	ZINC000514288431	560035111	/nfs/dbraw/zinc/03/51/11/560035111.db2.gz	FDSULWDGVTUSSK-GJZGRUSLSA-N	-1	0	386.452	1.866	40	0	biogenic,in-vitro	GDABRM
CC(C)c1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)on1	ZINC000585270238	570239355	/nfs/dbraw/zinc/23/93/55/570239355.db2.gz	ASCZQSKXFOHMBR-UHFFFAOYSA-N	-1	0	381.435	1.830	40	0		GDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)no1	ZINC000585273655	570242593	/nfs/dbraw/zinc/24/25/93/570242593.db2.gz	SWJRYKHATIYZJR-VIFPVBQESA-N	-1	0	379.394	1.384	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncnc3C)cc2NC1=O	ZINC000585280883	570249309	/nfs/dbraw/zinc/24/93/09/570249309.db2.gz	BHXWEMWEBURCBQ-ZDUSSCGKSA-N	-1	0	376.394	1.013	40	0		GDABRM
COC[C@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC(C)C	ZINC000217513902	570317384	/nfs/dbraw/zinc/31/73/84/570317384.db2.gz	HKDZGOIZJJVGQL-ZDUSSCGKSA-N	-1	0	388.486	1.925	40	0		GDABRM
COC[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC(C)C	ZINC000217533936	570317750	/nfs/dbraw/zinc/31/77/50/570317750.db2.gz	OYKJBQMPQYMSGI-CYBMUJFWSA-N	-1	0	388.486	1.925	40	0		GDABRM
CC(=O)N(C)c1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)N(C)C)s2)cc1	ZINC000223274067	570455262	/nfs/dbraw/zinc/45/52/62/570455262.db2.gz	BZMMVQBBMLTSER-UHFFFAOYSA-N	-1	0	396.494	1.937	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(C)c(C(=O)OC)c2)c1	ZINC000223825209	570485700	/nfs/dbraw/zinc/48/57/00/570485700.db2.gz	XIEUGGXCHYBTMR-UHFFFAOYSA-N	-1	0	392.433	1.951	40	0		GDABRM
CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c(C(=O)NC2CCCC2)n1	ZINC000017079625	570918037	/nfs/dbraw/zinc/91/80/37/570918037.db2.gz	PWENXHQPXHWCEF-XGUBFFRZSA-N	-1	0	390.440	1.392	40	0		GDABRM
CCn1cc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1	ZINC000006490166	570925917	/nfs/dbraw/zinc/92/59/17/570925917.db2.gz	PWENXHQPXHWCEF-BARDWOONSA-N	-1	0	390.440	1.392	40	0		GDABRM
CCOC(=O)c1c(N)n(CCO)nc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000005681027	530539415	/nfs/dbraw/zinc/53/94/15/530539415.db2.gz	IKBRBAVFJPYRTO-UHFFFAOYSA-N	-1	0	388.833	1.089	40	0		GDABRM
COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(C)c(C(=O)N(C)C)s2)c1	ZINC000028306082	530592021	/nfs/dbraw/zinc/59/20/21/530592021.db2.gz	GNWVWYGHZGTLQR-UHFFFAOYSA-N	-1	0	385.467	1.971	40	0		GDABRM
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1	ZINC000109067924	530860786	/nfs/dbraw/zinc/86/07/86/530860786.db2.gz	WDPONRSNDXSJJU-UHFFFAOYSA-N	-1	0	388.398	1.061	40	0		GDABRM
Cn1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)c(=O)n(C)c1=O	ZINC000192888662	530975256	/nfs/dbraw/zinc/97/52/56/530975256.db2.gz	XIUVCOPPFPARQE-UHFFFAOYSA-N	-1	0	397.762	1.557	40	0		GDABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C[C@@H]3CCCO3)s2)c1	ZINC000225824229	531031589	/nfs/dbraw/zinc/03/15/89/531031589.db2.gz	HLRWWSLWEVTEBI-LBPRGKRZSA-N	-1	0	382.467	1.556	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@@H]21	ZINC000285062165	532025163	/nfs/dbraw/zinc/02/51/63/532025163.db2.gz	LYPMCQJNEDAXLR-KBPBESRZSA-N	-1	0	388.873	1.440	40	0		GDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000071195279	209111630	/nfs/dbraw/zinc/11/16/30/209111630.db2.gz	AWTHTCQAXZFLMJ-AWEZNQCLSA-N	-1	0	386.433	1.926	40	0		GDABRM
CC(C)[C@@H](NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001576003	206385806	/nfs/dbraw/zinc/38/58/06/206385806.db2.gz	LYALYFZHXCPBAR-HZPDHXFCSA-N	-1	0	388.424	1.473	40	0		GDABRM
Cc1ccc(=O)n(CC(=O)N[C@H](C)c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)n1	ZINC000019131055	207105064	/nfs/dbraw/zinc/10/50/64/207105064.db2.gz	QWOHUIJBEGUJIX-GFCCVEGCSA-N	-1	0	384.440	1.475	40	0		GDABRM
Cc1[nH]c(=O)n(-c2ccc(I)cc2)c(=O)c1CC(=O)[O-]	ZINC000020156491	207181484	/nfs/dbraw/zinc/18/14/84/207181484.db2.gz	POBYUUXUVHTWQM-UHFFFAOYSA-N	-1	0	386.145	1.066	40	0		GDABRM
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1	ZINC000021010322	207225147	/nfs/dbraw/zinc/22/51/47/207225147.db2.gz	GIFPPHKBDRGART-AWEZNQCLSA-N	-1	0	387.458	1.799	40	0		GDABRM
Cc1cc([N-]c2nncs2)nc([C@H]2CCCN(S(=O)(=O)N(C)C)C2)n1	ZINC000072360040	208003448	/nfs/dbraw/zinc/00/34/48/208003448.db2.gz	KQSUUFJWEKCZTM-NSHDSACASA-N	-1	0	383.503	1.366	40	0		GDABRM
O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4F)CC3)C2=O)c1	ZINC000019766284	570217729	/nfs/dbraw/zinc/21/77/29/570217729.db2.gz	SXMCVIUHUOBNPE-GOSISDBHSA-N	-1	0	397.406	1.978	40	0		GDABRM
Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585273440	570241711	/nfs/dbraw/zinc/24/17/11/570241711.db2.gz	RGATWEFARVESJQ-UHFFFAOYSA-N	-1	0	395.462	1.643	40	0		GDABRM
Cn1c2ccc(S(=O)(=O)[N-]C(=O)CCc3cccc(F)c3)cc2n(C)c1=O	ZINC000585272210	570242300	/nfs/dbraw/zinc/24/23/00/570242300.db2.gz	LWDCSRJDQNULGX-UHFFFAOYSA-N	-1	0	391.424	1.454	40	0		GDABRM
CC(C)c1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cn1	ZINC000585274467	570243826	/nfs/dbraw/zinc/24/38/26/570243826.db2.gz	YFPUPMJKYZZNQB-UHFFFAOYSA-N	-1	0	392.462	1.632	40	0		GDABRM
O=C([O-])c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000217500662	570317364	/nfs/dbraw/zinc/31/73/64/570317364.db2.gz	FJBODNGNGMLZAX-ZIAGYGMSSA-N	-1	0	384.454	1.433	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC[C@H]1CCCO1	ZINC000217633870	570319720	/nfs/dbraw/zinc/31/97/20/570319720.db2.gz	LYXORJOOMJPRRK-OLZOCXBDSA-N	-1	0	384.454	1.433	40	0		GDABRM
CCOCCCNS(=O)(=O)c1ccc(NC[C@@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217642457	570319883	/nfs/dbraw/zinc/31/98/83/570319883.db2.gz	QEUGRXFQSBUAMU-ZDUSSCGKSA-N	-1	0	386.470	1.681	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)s1	ZINC000225559000	570587990	/nfs/dbraw/zinc/58/79/90/570587990.db2.gz	XKUISTBWTOAZPE-UHFFFAOYSA-N	-1	0	397.482	1.683	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@H]1CCN(C(=O)COC[C@H]3CCCO3)C1)cc2=O	ZINC000012276426	570632430	/nfs/dbraw/zinc/63/24/30/570632430.db2.gz	FPSKWTMTACYZRV-LSDHHAIUSA-N	-1	0	388.468	1.817	40	0		GDABRM
Cn1cc(S(=O)(=O)[N-]c2ccccc2Oc2ccccc2)c(=O)n(C)c1=O	ZINC000012647986	570694628	/nfs/dbraw/zinc/69/46/28/570694628.db2.gz	PVOKDSWFGVOSPX-UHFFFAOYSA-N	-1	0	387.417	1.677	40	0		GDABRM
CCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccc(OC)cc3)N2N1	ZINC000588224951	570744008	/nfs/dbraw/zinc/74/40/08/570744008.db2.gz	BOFLMPNVNXIMRN-SFHVURJKSA-N	-1	0	394.456	1.102	40	0		GDABRM
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1	ZINC000017081015	570918897	/nfs/dbraw/zinc/91/88/97/570918897.db2.gz	ZAICVBVBOXRORG-XGUBFFRZSA-N	-1	0	396.465	1.580	40	0		GDABRM
O=C([O-])C1CCN(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)CC1	ZINC000571044144	601565941	/nfs/dbraw/zinc/56/59/41/601565941.db2.gz	ZYERIVSTOIMMJQ-UHFFFAOYSA-N	-1	0	395.506	1.984	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCSCc2ccco2)s1	ZINC000224466777	531028996	/nfs/dbraw/zinc/02/89/96/531028996.db2.gz	JOKVGTXHWCKDDH-UHFFFAOYSA-N	-1	0	390.512	1.937	40	0		GDABRM
CCN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425369	532014050	/nfs/dbraw/zinc/01/40/50/532014050.db2.gz	DPQKCCHIBVEZFE-OAHLLOKOSA-N	-1	0	375.468	1.281	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCO[C@@H]2CCN(C)C[C@H]21	ZINC000285062172	532025244	/nfs/dbraw/zinc/02/52/44/532025244.db2.gz	LYPMCQJNEDAXLR-ZIAGYGMSSA-N	-1	0	388.873	1.440	40	0		GDABRM
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)c1	ZINC000013262481	206972037	/nfs/dbraw/zinc/97/20/37/206972037.db2.gz	UXSMUKVTPIYLPU-UHFFFAOYSA-N	-1	0	394.357	1.726	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@H]1CCN(C(=O)c3cnc(OC)nc3)C1)cc2=O	ZINC000100727976	208378981	/nfs/dbraw/zinc/37/89/81/208378981.db2.gz	DMDSBWMLZODSFE-LBPRGKRZSA-N	-1	0	382.424	1.734	40	0		GDABRM
NS(=O)(=O)c1ccc(-c2n[n-]c3nc4sc5c(c4c(=O)n32)CCC5)cc1	ZINC000100748832	208380704	/nfs/dbraw/zinc/38/07/04/208380704.db2.gz	OTCDAWFBYOITHZ-UHFFFAOYSA-N	-1	0	387.446	1.435	40	0		GDABRM
CCc1c(C)nc2cc([C@H]3CCCN(C(=O)CN4C(=O)CCC4=O)C3)[n-]n2c1=O	ZINC000100138445	208372440	/nfs/dbraw/zinc/37/24/40/208372440.db2.gz	RCIWHTZIXYFACF-ZDUSSCGKSA-N	-1	0	399.451	1.161	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C)c2)s1	ZINC000224688740	208931290	/nfs/dbraw/zinc/93/12/90/208931290.db2.gz	BOCBPVYONUNIRK-UHFFFAOYSA-N	-1	0	389.480	1.921	40	0		GDABRM
CNC(=O)[C@@H]1CN(C(C)=O)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000257211673	209056088	/nfs/dbraw/zinc/05/60/88/209056088.db2.gz	BZWNYEKUYYBPJE-KRWDZBQOSA-N	-1	0	385.420	1.424	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257315417	209073718	/nfs/dbraw/zinc/07/37/18/209073718.db2.gz	VBFQPQFHQMJHKB-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3ccn(C(F)F)n3)ccc21	ZINC000585271088	570239596	/nfs/dbraw/zinc/23/95/96/570239596.db2.gz	HBEBEKLFDJHUHO-UHFFFAOYSA-N	-1	0	388.377	1.310	40	0		GDABRM
COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585274228	570243429	/nfs/dbraw/zinc/24/34/29/570243429.db2.gz	XTDIIOBIUKDXAR-UHFFFAOYSA-N	-1	0	376.390	1.074	40	0		GDABRM
O=C(CCc1ccccc1F)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585274203	570243558	/nfs/dbraw/zinc/24/35/58/570243558.db2.gz	XLVCELZIMFMMPB-UHFFFAOYSA-N	-1	0	378.381	1.594	40	0		GDABRM
Cc1ccc(C)c(Cn2nnc3c2nc(C(=O)NC[C@@H]2CCCO2)[n-]c3=O)c1	ZINC000004898720	570637581	/nfs/dbraw/zinc/63/75/81/570637581.db2.gz	SCZHCLLSGOKWFQ-AWEZNQCLSA-N	-1	0	382.424	1.501	40	0		GDABRM
Cc1nc2cc([C@@H]3CCCN3C(=O)c3cnc(N(C)C)nc3)[n-]n2c(=O)c1C	ZINC000012336996	570644596	/nfs/dbraw/zinc/64/45/96/570644596.db2.gz	AJIYHGNYBHRLSM-HNNXBMFYSA-N	-1	0	381.440	1.885	40	0		GDABRM
COc1ccccc1NC(=O)CN1C(=O)S[C@@H]([C@H]2SC(=O)[N-]C2=O)C1=O	ZINC000065090500	570757806	/nfs/dbraw/zinc/75/78/06/570757806.db2.gz	MTDITGNPUJYNMH-MNOVXSKESA-N	-1	0	395.418	1.049	40	0		GDABRM
COc1cccc(CNC(=O)[C@@H]2CC(=O)N(c3ccc(OCC(=O)[O-])cc3)C2)c1	ZINC000008732570	570772108	/nfs/dbraw/zinc/77/21/08/570772108.db2.gz	OUWOXXBMTPPXHS-OAHLLOKOSA-N	-1	0	398.415	1.828	40	0		GDABRM
O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000011859160	570799167	/nfs/dbraw/zinc/79/91/67/570799167.db2.gz	FVIONIWGOONASI-XEZPLFJOSA-N	-1	0	381.310	1.891	40	0		GDABRM
COc1ccc(OC[C@@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000223153529	531028570	/nfs/dbraw/zinc/02/85/70/531028570.db2.gz	SXAOIIUXBZLBKV-SECBINFHSA-N	-1	0	386.455	1.251	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCN(C)c2ccccc2)s1	ZINC000225709673	531031074	/nfs/dbraw/zinc/03/10/74/531031074.db2.gz	CABXWMLEBBRWMU-UHFFFAOYSA-N	-1	0	383.499	1.547	40	0		GDABRM
Cc1cc(F)c(Br)cc1S(=O)(=O)N1CCO[C@H](C(=O)[O-])C1	ZINC000560480989	531650876	/nfs/dbraw/zinc/65/08/76/531650876.db2.gz	PFWZGECOFBMDDI-JTQLQIEISA-N	-1	0	382.207	1.371	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N1CCO[C@H]2CCN(C)C[C@H]21	ZINC000285062167	532025184	/nfs/dbraw/zinc/02/51/84/532025184.db2.gz	LYPMCQJNEDAXLR-KGLIPLIRSA-N	-1	0	388.873	1.440	40	0		GDABRM
CC(C)(C)OC(=O)C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000044563892	207635187	/nfs/dbraw/zinc/63/51/87/207635187.db2.gz	VJWNFSDAMAHKFQ-RYUDHWBXSA-N	-1	0	386.445	1.687	40	0		GDABRM
O=C([O-])CN1CCN([C@@H](CS(=O)(=O)c2ccccc2)c2ccccc2)CC1	ZINC000073633190	208037167	/nfs/dbraw/zinc/03/71/67/208037167.db2.gz	WOLJXWFXXYEEEC-IBGZPJMESA-N	-1	0	388.489	1.904	40	0		GDABRM
O=S(=O)(NC[C@H]1C[C@@H]2CCN1C[C@@H]2C[NH+]1CCOCC1)c1cccs1	ZINC000095252497	209005846	/nfs/dbraw/zinc/00/58/46/209005846.db2.gz	KUVQAIQMCRSOEO-HRCADAONSA-N	-1	0	385.555	1.069	40	0	biogenic,in-vitro	GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257211262	209054821	/nfs/dbraw/zinc/05/48/21/209054821.db2.gz	BYELKHJYDUIOBW-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257206378	209055577	/nfs/dbraw/zinc/05/55/77/209055577.db2.gz	BDCQLRDEVSCJKU-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2cccc(C(=O)[O-])c2)CC1	ZINC000257337814	209078196	/nfs/dbraw/zinc/07/81/96/209078196.db2.gz	YUNGFMOLXXPRCZ-UHFFFAOYSA-N	-1	0	390.465	1.828	40	0		GDABRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585274129	570243277	/nfs/dbraw/zinc/24/32/77/570243277.db2.gz	WMUCKECHAWFIBW-UHFFFAOYSA-N	-1	0	381.435	1.578	40	0		GDABRM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1C	ZINC000102958525	570293436	/nfs/dbraw/zinc/29/34/36/570293436.db2.gz	GLHGAGACPFMCPL-UHFFFAOYSA-N	-1	0	393.399	1.812	40	0		GDABRM
Cc1c2c(cc(=O)n1N1CCN(C)CC1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000009481896	570559027	/nfs/dbraw/zinc/55/90/27/570559027.db2.gz	VNOKSMRTQHKADD-UHFFFAOYSA-N	-1	0	396.476	1.282	40	0		GDABRM
COCc1nn2c(nnc3c(=O)n(CCC(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040392216	570600366	/nfs/dbraw/zinc/60/03/66/570600366.db2.gz	IOQZIRZXERTUGC-UHFFFAOYSA-N	-1	0	397.366	1.866	40	0		GDABRM
Cc1nc2[n-]c(CC(=O)N[C@@H](C)c3ccc4c(c3)CCCO4)nn2c(=O)c1C	ZINC000019576974	570927706	/nfs/dbraw/zinc/92/77/06/570927706.db2.gz	RMXMTQRUFDHCAT-ZDUSSCGKSA-N	-1	0	381.436	1.779	40	0		GDABRM
CN(C)C(=O)N1CCC(C(=O)N(C)Cc2ccc(OCC(=O)[O-])cc2)CC1	ZINC000262398025	961697113	/nfs/dbraw/zinc/69/71/13/961697113.db2.gz	NUPCMTRZCQLCJF-UHFFFAOYSA-N	-1	0	377.441	1.502	40	0		GDABRM
COC(=O)CN1C(=O)C(=Cc2ccc(OCC(=O)[O-])c(Cl)c2)NC1=S	ZINC000008091985	530548383	/nfs/dbraw/zinc/54/83/83/530548383.db2.gz	ZZBWOACLDVYSDU-YHYXMXQVSA-N	-1	0	384.797	1.034	40	0		GDABRM
COc1cc(/C=C(/C#N)C(=O)NC(N)=O)c(Br)cc1OCC(=O)[O-]	ZINC000008107493	530548510	/nfs/dbraw/zinc/54/85/10/530548510.db2.gz	XKZIAFZWOHPJIH-WAPJZHGLSA-N	-1	0	398.169	1.023	40	0		GDABRM
Cc1ccc(NC(=O)CN2C(=O)S[C@H]([C@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000065090487	530753285	/nfs/dbraw/zinc/75/32/85/530753285.db2.gz	QPNDQUCAYYKUMS-GHMZBOCLSA-N	-1	0	379.419	1.349	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2Cl)s1	ZINC000224254109	531028764	/nfs/dbraw/zinc/02/87/64/531028764.db2.gz	AZUOKEALQVFWCN-UHFFFAOYSA-N	-1	0	390.874	1.897	40	0		GDABRM
CCCSc1nnc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)s1	ZINC000224298098	531029303	/nfs/dbraw/zinc/02/93/03/531029303.db2.gz	LHQXPXLXFBMIDT-UHFFFAOYSA-N	-1	0	380.502	1.651	40	0		GDABRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257232907	222760353	/nfs/dbraw/zinc/76/03/53/222760353.db2.gz	GMYIPGFIZWLHHL-OAHLLOKOSA-N	-1	0	390.465	1.746	40	0		GDABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(C)C)[C@H]1CCS(=O)(=O)C1	ZINC000575424951	532013653	/nfs/dbraw/zinc/01/36/53/532013653.db2.gz	CTKKYVKZMZHOLE-AWEZNQCLSA-N	-1	0	389.495	1.527	40	0		GDABRM
COc1ccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)c(OC)c1	ZINC000328974922	206239381	/nfs/dbraw/zinc/23/93/81/206239381.db2.gz	FHZKDMVAZICXIY-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
CCOc1ccccc1N1C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000016899819	207080025	/nfs/dbraw/zinc/08/00/25/207080025.db2.gz	CZMYLYFEGRJPNM-SMDDNHRTSA-N	-1	0	380.422	1.040	40	0		GDABRM
Cc1cc2nc([C@@H](C)NC(=O)[C@H]3CC(=O)N(Cc4cccnc4)C3)cc(=O)n2[n-]1	ZINC000019129638	207104113	/nfs/dbraw/zinc/10/41/13/207104113.db2.gz	ICCLMXCWWAZYGO-HIFRSBDPSA-N	-1	0	394.435	1.364	40	0		GDABRM
CC(=O)N[C@@H](CSCC(=O)Nc1ccc2c(c1)N1CCN=C1S2)C(=O)[O-]	ZINC000020309831	207187286	/nfs/dbraw/zinc/18/72/86/207187286.db2.gz	ALRZBCODCZPCMT-NSHDSACASA-N	-1	0	394.478	1.229	40	0		GDABRM
Cc1nnc(NC(=O)c2nn(-c3ccccn3)c3c2CS(=O)(=O)CC3)s1	ZINC000041070416	208383192	/nfs/dbraw/zinc/38/31/92/208383192.db2.gz	USAKPHPQUPCQMU-UHFFFAOYSA-N	-1	0	390.450	1.150	40	0		GDABRM
O=C([O-])[C@H]1CC(c2ccc3c(c2)CCCC3)=NN1/C=c1\sc2ncnn2c1=O	ZINC000256028214	209045615	/nfs/dbraw/zinc/04/56/15/209045615.db2.gz	YZBUZQISXJQYJT-AVIKPIRVSA-N	-1	0	395.444	1.050	40	0		GDABRM
CC(C)(C)[C@@H](NC(=O)[C@@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)[O-]	ZINC000071974082	222201638	/nfs/dbraw/zinc/20/16/38/222201638.db2.gz	BZUKJNKTPCZNPM-GJZGRUSLSA-N	-1	0	376.457	1.771	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OC	ZINC000408590662	528194362	/nfs/dbraw/zinc/19/43/62/528194362.db2.gz	HKYGZIJGTXWJFR-BJMVGYQFSA-N	-1	0	399.197	1.834	40	0		GDABRM
CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N(C)C(=O)[C@H](O)Cc1ccccc1	ZINC000035464606	560081551	/nfs/dbraw/zinc/08/15/51/560081551.db2.gz	QXLPHJAUIZITEO-BRWVUGGUSA-N	-1	0	376.453	1.149	40	0	biogenic,in-vitro	GDABRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000003830748	560189782	/nfs/dbraw/zinc/18/97/82/560189782.db2.gz	GBXSMTUPTTWBMN-USXIJHARSA-N	-1	0	376.453	1.605	40	0	in-vitro	GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3cc(F)ccc3F)ccc21	ZINC000585271052	570239569	/nfs/dbraw/zinc/23/95/69/570239569.db2.gz	GDLNHMISPYYKRM-UHFFFAOYSA-N	-1	0	384.385	1.997	40	0		GDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)on1	ZINC000585274465	570243833	/nfs/dbraw/zinc/24/38/33/570243833.db2.gz	YEXZYUBADITZLQ-SECBINFHSA-N	-1	0	379.394	1.384	40	0		GDABRM
O=C([O-])c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000217500419	570317501	/nfs/dbraw/zinc/31/75/01/570317501.db2.gz	FJBODNGNGMLZAX-KBPBESRZSA-N	-1	0	384.454	1.433	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC[C@H]1CCCO1	ZINC000217633950	570319696	/nfs/dbraw/zinc/31/96/96/570319696.db2.gz	LYXORJOOMJPRRK-CHWSQXEVSA-N	-1	0	384.454	1.433	40	0		GDABRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)cc1	ZINC000223277705	570455803	/nfs/dbraw/zinc/45/58/03/570455803.db2.gz	WSRQTPZVZWDEAW-UHFFFAOYSA-N	-1	0	380.422	1.629	40	0		GDABRM
O=C([O-])CN(CCc1ccccc1)C(=O)[C@@H]1OCC(=O)N[C@@H]1c1ccccc1	ZINC000257225726	570763551	/nfs/dbraw/zinc/76/35/51/570763551.db2.gz	FHLXFMIRIBTROP-WOJBJXKFSA-N	-1	0	382.416	1.399	40	0		GDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)[C@H]2CC[C@@H]1O2	ZINC000013959294	570868232	/nfs/dbraw/zinc/86/82/32/570868232.db2.gz	IQWARWRNUFECRK-LTIDMASMSA-N	-1	0	378.856	1.862	40	0		GDABRM
C[C@@](CC(=O)N1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634894407	653503090	/nfs/dbraw/zinc/50/30/90/653503090.db2.gz	WYZLAYFPYJDRAW-INIZCTEOSA-N	-1	0	388.873	1.176	40	0		GDABRM
CC1(C)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H](C(F)(F)F)O1	ZINC000291949509	962904144	/nfs/dbraw/zinc/90/41/44/962904144.db2.gz	QIKUXVJZEQZDTH-LBPRGKRZSA-N	-1	0	397.371	1.880	40	0		GDABRM
CCCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000013249946	530558367	/nfs/dbraw/zinc/55/83/67/530558367.db2.gz	VVQGXMXTILEDSZ-CQSZACIVSA-N	-1	0	389.495	1.671	40	0		GDABRM
O=CN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1	ZINC000026114316	530583958	/nfs/dbraw/zinc/58/39/58/530583958.db2.gz	LJYWRKZAQKRHEH-UHFFFAOYSA-N	-1	0	379.463	1.463	40	0		GDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)s1	ZINC000223603910	531029382	/nfs/dbraw/zinc/02/93/82/531029382.db2.gz	MQASIWZIFNGZCX-UHFFFAOYSA-N	-1	0	383.455	1.422	40	0		GDABRM
CC1(C)CO[C@H](c2ccccc2Cl)CN1CCS(=O)(=O)CC(=O)[O-]	ZINC000262311321	531116179	/nfs/dbraw/zinc/11/61/79/531116179.db2.gz	NXICPXCKQLYOPW-AWEZNQCLSA-N	-1	0	375.874	1.991	40	0		GDABRM
Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2	ZINC000006822892	209127856	/nfs/dbraw/zinc/12/78/56/209127856.db2.gz	SYEPOADLHSSNFN-UHFFFAOYSA-N	-1	0	379.419	1.272	40	0		GDABRM
CCNC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1OC	ZINC000013681594	206989029	/nfs/dbraw/zinc/98/90/29/206989029.db2.gz	NUHZAWHANFMNCZ-UHFFFAOYSA-N	-1	0	378.406	1.944	40	0		GDABRM
Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)CN2CCCC2=O)C3)c1-c1ccccc1	ZINC000100215303	208375004	/nfs/dbraw/zinc/37/50/04/208375004.db2.gz	TZJQYJRDLNZWKX-UHFFFAOYSA-N	-1	0	391.431	1.875	40	0		GDABRM
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000113871820	208461716	/nfs/dbraw/zinc/46/17/16/208461716.db2.gz	NYCWPBMUSDMKLY-UHFFFAOYSA-N	-1	0	378.406	1.934	40	0		GDABRM
CCCn1c(SC2=C([O-])CC(C)(C)CC2=O)nc2c1c(=O)n(C)c(=O)n2C	ZINC000100314831	208703016	/nfs/dbraw/zinc/70/30/16/208703016.db2.gz	QXZZBNVRLHAODE-UHFFFAOYSA-N	-1	0	392.481	1.263	40	0		GDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@@H]1CCCO1	ZINC000217508889	208828036	/nfs/dbraw/zinc/82/80/36/208828036.db2.gz	XGJBASQRMLHKRK-AWEZNQCLSA-N	-1	0	386.470	1.681	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2CCc3ccccc32)s1	ZINC000223415219	208902500	/nfs/dbraw/zinc/90/25/00/208902500.db2.gz	JOESPBUWLVDUOV-UHFFFAOYSA-N	-1	0	395.510	1.618	40	0		GDABRM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257210440	209055376	/nfs/dbraw/zinc/05/53/76/209055376.db2.gz	BUPOPNCSOGYRPH-OAHLLOKOSA-N	-1	0	390.465	1.746	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cnc(-c2cccc(C(=O)[O-])c2)cn1	ZINC000257206637	209056200	/nfs/dbraw/zinc/05/62/00/209056200.db2.gz	BEIGDYNNZOINHN-INIZCTEOSA-N	-1	0	376.438	1.785	40	0		GDABRM
CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)CCN1C(C)=O	ZINC000257264910	209063067	/nfs/dbraw/zinc/06/30/67/209063067.db2.gz	LWMIGCYKWUQFCP-FQEVSTJZSA-N	-1	0	395.459	1.831	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2cncc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257282330	209066955	/nfs/dbraw/zinc/06/69/55/209066955.db2.gz	OTHZWXUVHCFTNA-UHFFFAOYSA-N	-1	0	391.453	1.223	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)c(C)c1C	ZINC000224274904	136206616	/nfs/dbraw/zinc/20/66/16/136206616.db2.gz	KCVLNLIBINUXPA-UHFFFAOYSA-N	-1	0	378.454	1.739	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3sc(C)nc3C)cc2NC1=O	ZINC000585280869	570249367	/nfs/dbraw/zinc/24/93/67/570249367.db2.gz	AZKFWSGPCVZXAQ-LBPRGKRZSA-N	-1	0	395.462	1.988	40	0		GDABRM
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccccc1F	ZINC000216243442	570297543	/nfs/dbraw/zinc/29/75/43/570297543.db2.gz	SHYRDZYLZVMNBW-UHFFFAOYSA-N	-1	0	395.412	1.775	40	0		GDABRM
O=C([O-])c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)NC[C@@H]2CCCO2)c1	ZINC000217500504	570317468	/nfs/dbraw/zinc/31/74/68/570317468.db2.gz	FJBODNGNGMLZAX-KGLIPLIRSA-N	-1	0	384.454	1.433	40	0		GDABRM
COc1cccc(S(=O)(=O)[N-]c2cnc(N3CCCC3)nc2N(C)C)c1	ZINC000224344275	570449253	/nfs/dbraw/zinc/44/92/53/570449253.db2.gz	UAUNOZSLDQTMHN-UHFFFAOYSA-N	-1	0	377.470	1.952	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc1F	ZINC000225105912	570549482	/nfs/dbraw/zinc/54/94/82/570549482.db2.gz	ROLAPJPCWALCCQ-UHFFFAOYSA-N	-1	0	383.353	1.843	40	0		GDABRM
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1	ZINC000245238407	570741907	/nfs/dbraw/zinc/74/19/07/570741907.db2.gz	NIYGOCRPJPNRPP-GVXVVHGQSA-N	-1	0	390.442	1.421	40	0		GDABRM
COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(OC)c1	ZINC000567805735	600695613	/nfs/dbraw/zinc/69/56/13/600695613.db2.gz	XCKPXXLHIKBOHN-HNNXBMFYSA-N	-1	0	395.437	1.511	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2cc(F)ccc2OC)s1	ZINC000223152446	531028280	/nfs/dbraw/zinc/02/82/80/531028280.db2.gz	ZXARMRYRVOZHFI-UHFFFAOYSA-N	-1	0	393.443	1.752	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)s1	ZINC000223621487	531029346	/nfs/dbraw/zinc/02/93/46/531029346.db2.gz	FVUOOSVLPGKQHB-UHFFFAOYSA-N	-1	0	381.439	1.424	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)s1	ZINC000225208023	531029831	/nfs/dbraw/zinc/02/98/31/531029831.db2.gz	LVQAHIXGEVRPFJ-UHFFFAOYSA-N	-1	0	383.455	1.389	40	0		GDABRM
CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425366	532013934	/nfs/dbraw/zinc/01/39/34/532013934.db2.gz	DPQKCCHIBVEZFE-HNNXBMFYSA-N	-1	0	375.468	1.281	40	0		GDABRM
COC(=O)C(=O)[C@@H]1CCc2c1c1c(=O)n(-c3ccccc3)nc-1[n-]c2C(=O)OC	ZINC000001591695	206387237	/nfs/dbraw/zinc/38/72/37/206387237.db2.gz	CALCQCBQNLMHDS-GFCCVEGCSA-N	-1	0	395.371	1.272	40	0		GDABRM
CCS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)Oc2ccccc21	ZINC000013680720	206988347	/nfs/dbraw/zinc/98/83/47/206988347.db2.gz	WCTNNIOLBHLKLG-MRXNPFEDSA-N	-1	0	390.417	1.941	40	0		GDABRM
CCOc1ccccc1N1C(=O)C[C@@H](SC[C@@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000016899817	207079801	/nfs/dbraw/zinc/07/98/01/207079801.db2.gz	CZMYLYFEGRJPNM-BXUZGUMPSA-N	-1	0	380.422	1.040	40	0		GDABRM
COc1ccc(NC(=O)CN2C(=O)S[C@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000101375869	208393310	/nfs/dbraw/zinc/39/33/10/208393310.db2.gz	LOGMKXVTFRKHHW-WDEREUQCSA-N	-1	0	395.418	1.049	40	0		GDABRM
CCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C	ZINC000001926295	208498928	/nfs/dbraw/zinc/49/89/28/208498928.db2.gz	WSRUBYUSWCXCIF-UHFFFAOYSA-N	-1	0	389.433	1.790	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@@H]2CCCO2)ccc1NC[C@@H]1CCCO1	ZINC000217633705	208828401	/nfs/dbraw/zinc/82/84/01/208828401.db2.gz	LYXORJOOMJPRRK-STQMWFEESA-N	-1	0	384.454	1.433	40	0		GDABRM
C[C@H](C(=O)[O-])[C@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O	ZINC000299817228	209093749	/nfs/dbraw/zinc/09/37/49/209093749.db2.gz	NEZYQTIODXEXMK-ZBEGNZNMSA-N	-1	0	398.394	1.528	40	0	in-vitro	GDABRM
COc1ccccc1N1CCN(S(=O)(=O)C2=CCC(=O)[C@H](C(=O)[O-])C2)CC1	ZINC000020219076	136202473	/nfs/dbraw/zinc/20/24/73/136202473.db2.gz	CSRRYVXWRCPUGG-CQSZACIVSA-N	-1	0	394.449	1.577	40	0		GDABRM
CCc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)no1	ZINC000585273651	570242563	/nfs/dbraw/zinc/24/25/63/570242563.db2.gz	SWJRYKHATIYZJR-SECBINFHSA-N	-1	0	379.394	1.384	40	0		GDABRM
CCn1cc(Cl)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)n1	ZINC000585273780	570243195	/nfs/dbraw/zinc/24/31/95/570243195.db2.gz	UNJBKWVTHBFOLW-UHFFFAOYSA-N	-1	0	384.801	1.006	40	0		GDABRM
O=C([N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2)c1cnc2ccccc2c1	ZINC000585274190	570243396	/nfs/dbraw/zinc/24/33/96/570243396.db2.gz	XJJSHYQSTRTFMU-UHFFFAOYSA-N	-1	0	383.385	1.684	40	0		GDABRM
Cc1nc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C(C)C)O3)co1	ZINC000585281670	570248081	/nfs/dbraw/zinc/24/80/81/570248081.db2.gz	ORJRKBJRQZBRRW-HNNXBMFYSA-N	-1	0	393.421	1.766	40	0		GDABRM
CC(=O)N(CC(=O)[O-])C[C@@H]1CN(Cc2cccc3c2OC(F)(F)O3)CCO1	ZINC000655924985	570680332	/nfs/dbraw/zinc/68/03/32/570680332.db2.gz	USULUJTUOOQIBX-ZDUSSCGKSA-N	-1	0	386.351	1.142	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)cccc23)cc1	ZINC000004135141	570966541	/nfs/dbraw/zinc/96/65/41/570966541.db2.gz	AJZSAVIIUNBVHO-LSDHHAIUSA-N	-1	0	387.461	1.674	40	0		GDABRM
O=C([O-])c1ccc(Cl)cc1S(=O)(=O)N1CCN(c2cnccn2)CC1	ZINC000583202397	599725530	/nfs/dbraw/zinc/72/55/30/599725530.db2.gz	WGVOEUUAXAUZGG-UHFFFAOYSA-N	-1	0	382.829	1.339	40	0		GDABRM
O=C([O-])c1cccc2c1CCCN2S(=O)(=O)c1ccc2c(c1)C(=O)NCC2	ZINC000275126811	600210901	/nfs/dbraw/zinc/21/09/01/600210901.db2.gz	NDFZCCRJACEATK-UHFFFAOYSA-N	-1	0	386.429	1.812	40	0		GDABRM
COC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000036182877	530614234	/nfs/dbraw/zinc/61/42/34/530614234.db2.gz	GVWBMLZNZWIQPJ-UHFFFAOYSA-N	-1	0	390.830	1.737	40	0		GDABRM
CCNC(=O)c1cc(S(=O)(=O)[N-]c2nnc(SC)s2)ccc1OC	ZINC000225531559	531030684	/nfs/dbraw/zinc/03/06/84/531030684.db2.gz	AGYGBMFAMGPCBD-UHFFFAOYSA-N	-1	0	388.496	1.819	40	0		GDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccccc2I)[C@H]2C=C[C@@H]1O2	ZINC000225706771	531030742	/nfs/dbraw/zinc/03/07/42/531030742.db2.gz	HAQIGTBNXIJVGQ-NOOOWODRSA-N	-1	0	385.157	1.884	40	0		GDABRM
CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)s1	ZINC000225720118	531031017	/nfs/dbraw/zinc/03/10/17/531031017.db2.gz	GPQACWAVFRQWHW-UHFFFAOYSA-N	-1	0	394.529	1.897	40	0		GDABRM
COc1ccccc1OC[C@@H](C)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225622107	531031207	/nfs/dbraw/zinc/03/12/07/531031207.db2.gz	UAEYSIGVWFDZRP-SECBINFHSA-N	-1	0	386.455	1.251	40	0		GDABRM
CC[C@@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425769	532013925	/nfs/dbraw/zinc/01/39/25/532013925.db2.gz	IONAGEKMJOTCAB-OCCSQVGLSA-N	-1	0	389.495	1.670	40	0		GDABRM
COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)OC)c1	ZINC000024348028	207291137	/nfs/dbraw/zinc/29/11/37/207291137.db2.gz	NXDUKVFGZPWHIU-UHFFFAOYSA-N	-1	0	392.433	1.650	40	0		GDABRM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc3c(c1)OCCO3)CC2	ZINC000096157060	208278029	/nfs/dbraw/zinc/27/80/29/208278029.db2.gz	HXXJVNOFJXFOJI-OAHLLOKOSA-N	-1	0	388.420	1.386	40	0		GDABRM
CCOc1ccccc1N1C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000101273638	208389420	/nfs/dbraw/zinc/38/94/20/208389420.db2.gz	CZMYLYFEGRJPNM-FZMZJTMJSA-N	-1	0	380.422	1.040	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2OC)cc1OC	ZINC000224801510	208934632	/nfs/dbraw/zinc/93/46/32/208934632.db2.gz	WKXBUZHNWXVOFW-UHFFFAOYSA-N	-1	0	381.406	1.992	40	0		GDABRM
COC(=O)[C@@H]1C[C@@H](NC(C)=O)[C@H](c2ccccc2)N1C(=O)CCCC(=O)[O-]	ZINC000257285857	209069114	/nfs/dbraw/zinc/06/91/14/209069114.db2.gz	PJEYNLZDGDSSKC-VKJFTORMSA-N	-1	0	376.409	1.261	40	0		GDABRM
CC(C)OCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1N1CCOCC1	ZINC000217513084	136203286	/nfs/dbraw/zinc/20/32/86/136203286.db2.gz	KKLJFPFDOHWHCF-UHFFFAOYSA-N	-1	0	386.470	1.315	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3ccnc(C)n3)cc2NC1=O	ZINC000585281058	570249365	/nfs/dbraw/zinc/24/93/65/570249365.db2.gz	DPVUPQAQZQSVJS-CYBMUJFWSA-N	-1	0	376.394	1.013	40	0		GDABRM
COc1ccc(C(=O)[O-])c(OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1	ZINC000217715976	570320521	/nfs/dbraw/zinc/32/05/21/570320521.db2.gz	ISTHXMQTINULJE-UHFFFAOYSA-N	-1	0	380.378	1.058	40	0		GDABRM
Cc1ccc(S(=O)(=O)[C@H]2[C@@H](c3ccc4c(c3)OCO4)[C@@]2(CO)C(=O)[O-])cc1	ZINC000218170892	570326838	/nfs/dbraw/zinc/32/68/38/570326838.db2.gz	GQWPGMLOEAERMU-ZIFCJYIRSA-N	-1	0	390.413	1.727	40	0		GDABRM
CN(CC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)(C)C)s1)c1ccccc1	ZINC000222661427	570419247	/nfs/dbraw/zinc/41/92/47/570419247.db2.gz	QIGMASWUPKRURR-UHFFFAOYSA-N	-1	0	397.526	1.937	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCC(c3ncc(C(=O)[O-])c(=O)[nH]3)CC2)cc1	ZINC000224968625	570540510	/nfs/dbraw/zinc/54/05/10/570540510.db2.gz	UHQQVQHJERJKOD-UHFFFAOYSA-N	-1	0	393.421	1.045	40	0		GDABRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=C1C(=O)N(C)C(=O)C(C(N)=O)=C1C	ZINC000035973947	570559168	/nfs/dbraw/zinc/55/91/68/570559168.db2.gz	ZKSMKHKCMZPYBN-NTEUORMPSA-N	-1	0	380.404	1.379	40	0		GDABRM
CC(C)[C@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000041058352	570615104	/nfs/dbraw/zinc/61/51/04/570615104.db2.gz	ZFERFIDJVFWNJK-GJZGRUSLSA-N	-1	0	386.445	1.594	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccc(C)cc3)no2)s1	ZINC000041153128	570616054	/nfs/dbraw/zinc/61/60/54/570616054.db2.gz	XSDCVFAOBMCTMJ-UHFFFAOYSA-N	-1	0	394.438	1.333	40	0		GDABRM
CCc1cc(=O)n2[n-]c([C@@H]3CCCCN3C(=O)Cn3nc(C)ccc3=O)cc2n1	ZINC000012161353	570618913	/nfs/dbraw/zinc/61/89/13/570618913.db2.gz	RQGWKIGUIKJJIH-INIZCTEOSA-N	-1	0	396.451	1.616	40	0		GDABRM
CCN(CC)S(=O)(=O)c1ccc(OCc2ncc(C(=O)[O-])c(=O)[nH]2)cc1	ZINC000226105128	570641620	/nfs/dbraw/zinc/64/16/20/570641620.db2.gz	CAFPOFRPPCHAJN-UHFFFAOYSA-N	-1	0	381.410	1.078	40	0		GDABRM
CS(=O)(=O)N(Cc1ccccc1)Cc1nc(N)cc(SCC(=O)[O-])n1	ZINC000049470167	530673984	/nfs/dbraw/zinc/67/39/84/530673984.db2.gz	JYMUVBDPXRPPEB-UHFFFAOYSA-N	-1	0	382.467	1.197	40	0		GDABRM
Cn1cc(S(=O)(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)c(=O)n(C)c1=O	ZINC000192885099	530974744	/nfs/dbraw/zinc/97/47/44/530974744.db2.gz	PQTNHYRWNZWNPD-UHFFFAOYSA-N	-1	0	397.762	1.557	40	0		GDABRM
COCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000224145287	531029103	/nfs/dbraw/zinc/02/91/03/531029103.db2.gz	LZSBCWYYEYEQIH-UHFFFAOYSA-N	-1	0	376.847	1.369	40	0		GDABRM
Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1	ZINC000261653662	531095070	/nfs/dbraw/zinc/09/50/70/531095070.db2.gz	IBLYNBXAWLYHQP-UHFFFAOYSA-N	-1	0	375.468	1.192	40	0		GDABRM
Cc1ccc(C)c(S(=O)(=O)N(CCCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)c1	ZINC000575425537	532014307	/nfs/dbraw/zinc/01/43/07/532014307.db2.gz	ZQINBTPWJYSGLT-CQSZACIVSA-N	-1	0	389.495	1.346	40	0		GDABRM
O=C(NCCN1CCOCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000015592774	207053700	/nfs/dbraw/zinc/05/37/00/207053700.db2.gz	SQKKQIFQHQKMDB-UHFFFAOYSA-N	-1	0	395.506	1.611	40	0		GDABRM
CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2SC[C@@H](C(=O)[O-])NC2=O)cc1	ZINC000020635056	207208768	/nfs/dbraw/zinc/20/87/68/207208768.db2.gz	FAHKYRCAHLAKIP-KBPBESRZSA-N	-1	0	394.449	1.657	40	0		GDABRM
CC(=O)Nc1nc2ncc(CN(C(C)=O)c3ccc(C(=O)[O-])cc3)nc2c(=O)[nH]1	ZINC000031614469	207381553	/nfs/dbraw/zinc/38/15/53/207381553.db2.gz	DGYORKQNRCBWQN-UHFFFAOYSA-N	-1	0	396.363	1.335	40	0		GDABRM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc3c(c1)OCCO3)CC2	ZINC000096157061	208278535	/nfs/dbraw/zinc/27/85/35/208278535.db2.gz	HXXJVNOFJXFOJI-HNNXBMFYSA-N	-1	0	388.420	1.386	40	0		GDABRM
O=C([O-])CCCNC(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000101899605	208712418	/nfs/dbraw/zinc/71/24/18/208712418.db2.gz	AIRVSLKMAFLAIP-OKILXGFUSA-N	-1	0	387.436	1.477	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccccc2)s1	ZINC000223896334	208912371	/nfs/dbraw/zinc/91/23/71/208912371.db2.gz	UMKSPATXMDVASF-LLVKDONJSA-N	-1	0	384.483	1.878	40	0		GDABRM
COCC(=O)N1CCC(Cc2nc(C)cc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257256120	209062228	/nfs/dbraw/zinc/06/22/28/209062228.db2.gz	KKEDATORNHXROY-UHFFFAOYSA-N	-1	0	384.436	1.973	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)NC[C@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257279821	209065918	/nfs/dbraw/zinc/06/59/18/209065918.db2.gz	OIIIWHDTRUZRBP-HXUWFJFHSA-N	-1	0	386.452	1.578	40	0		GDABRM
COc1ccccc1N1CCN(S(=O)(=O)C2=CCC(=O)[C@@H](C(=O)[O-])C2)CC1	ZINC000020219075	136202546	/nfs/dbraw/zinc/20/25/46/136202546.db2.gz	CSRRYVXWRCPUGG-AWEZNQCLSA-N	-1	0	394.449	1.577	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)cc1OC	ZINC000224273896	136206508	/nfs/dbraw/zinc/20/65/08/136206508.db2.gz	KWBOCABVCXGJTN-UHFFFAOYSA-N	-1	0	380.426	1.131	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2c(C)nc(N3CCOCC3)nc2C)cc1	ZINC000224302800	136206764	/nfs/dbraw/zinc/20/67/64/136206764.db2.gz	NZOJRIRELCDXCP-UHFFFAOYSA-N	-1	0	378.454	1.739	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2N(C)C)cc1	ZINC000224346294	136206891	/nfs/dbraw/zinc/20/68/91/136206891.db2.gz	QDJZFXPRMDIRJH-UHFFFAOYSA-N	-1	0	377.470	1.488	40	0		GDABRM
CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408593435	528201592	/nfs/dbraw/zinc/20/15/92/528201592.db2.gz	POMYNTDRFRVQSJ-ONNFQVAWSA-N	-1	0	399.197	1.834	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cnn(CC)c3)cc2NC1=O	ZINC000585282077	570250033	/nfs/dbraw/zinc/25/00/33/570250033.db2.gz	XJCBDRBEYMAWEW-ZDUSSCGKSA-N	-1	0	378.410	1.131	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NCCCO)ccc1NCCc1ccccc1	ZINC000217594134	570318770	/nfs/dbraw/zinc/31/87/70/570318770.db2.gz	MXNGLRFVHAOJDG-UHFFFAOYSA-N	-1	0	378.450	1.700	40	0		GDABRM
CCOC(=O)c1cn(C)c2c1C([O-])=C(C(=O)OCC)CCN2C(=O)OCC	ZINC000005575221	570447294	/nfs/dbraw/zinc/44/72/94/570447294.db2.gz	XGLGRPXTVFKPSY-LLVKDONJSA-N	-1	0	380.397	1.930	40	0		GDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(CCNC(C)=O)cc1	ZINC000223310171	570457645	/nfs/dbraw/zinc/45/76/45/570457645.db2.gz	PZRLKDQKDIXNCS-UHFFFAOYSA-N	-1	0	376.434	1.953	40	0		GDABRM
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH]c1=O	ZINC000224968970	570540354	/nfs/dbraw/zinc/54/03/54/570540354.db2.gz	ORVDLJYZMUTROZ-SNVBAGLBSA-N	-1	0	397.840	1.690	40	0		GDABRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@H](C)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000003830749	570884701	/nfs/dbraw/zinc/88/47/01/570884701.db2.gz	GBXSMTUPTTWBMN-DJIMGWMZSA-N	-1	0	376.453	1.605	40	0		GDABRM
CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c(C(=O)NCC(C)C)n1	ZINC000017077356	570916958	/nfs/dbraw/zinc/91/69/58/570916958.db2.gz	OCGUGOBSTRYBOF-DGAVXFQQSA-N	-1	0	378.429	1.106	40	0		GDABRM
Cc1cccc(NC(=O)CN2C(=O)S[C@H]([C@H]3SC(=O)[N-]C3=O)C2=O)c1	ZINC000065090483	530753263	/nfs/dbraw/zinc/75/32/63/530753263.db2.gz	CSEAQGMLWDHINI-GHMZBOCLSA-N	-1	0	379.419	1.349	40	0		GDABRM
NC(=O)[C@@H]1CC(=O)N(c2cc(Br)c([O-])c(Br)c2)C1	ZINC000057327775	206278815	/nfs/dbraw/zinc/27/88/15/206278815.db2.gz	OULALACNCZAGDY-RXMQYKEDSA-N	-1	0	378.020	1.755	40	0		GDABRM
C[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1)C(=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000100774789	208705039	/nfs/dbraw/zinc/70/50/39/208705039.db2.gz	DJNALDHRHLLAGB-AFIMGQEJSA-N	-1	0	387.480	1.213	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000225792418	208976752	/nfs/dbraw/zinc/97/67/52/208976752.db2.gz	SBKWUPVMXCVGAR-HDEZJCGLSA-N	-1	0	390.461	1.042	40	0		GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc(CC2CCN(S(C)(=O)=O)CC2)n1	ZINC000257208117	209055137	/nfs/dbraw/zinc/05/51/37/209055137.db2.gz	BKVNBHCHDGWRGN-UHFFFAOYSA-N	-1	0	390.465	1.759	40	0		GDABRM
Cc1cc(N2CCC(O)(CN(C)C(=O)CCC(=O)[O-])CC2)c2cnccc2n1	ZINC000257207220	209055544	/nfs/dbraw/zinc/05/55/44/209055544.db2.gz	BGVPXNQVYOKQRA-UHFFFAOYSA-N	-1	0	386.452	1.593	40	0		GDABRM
O=C([N-]S(=O)(=O)c1ccc(F)cc1)c1ccc(CN2CCOCC2)cc1	ZINC000257257570	209062519	/nfs/dbraw/zinc/06/25/19/209062519.db2.gz	KQESVYDITMNOOO-UHFFFAOYSA-N	-1	0	378.425	1.777	40	0		GDABRM
O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CCN(c4ccccc4)CC3)C2=O)c1	ZINC000019766282	570217561	/nfs/dbraw/zinc/21/75/61/570217561.db2.gz	KCNFJWUYEGJPTG-GOSISDBHSA-N	-1	0	379.416	1.839	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cn(CC)nc3C)cc2NC1=O	ZINC000585281674	570247929	/nfs/dbraw/zinc/24/79/29/570247929.db2.gz	OVGKVOYJEDZFHS-AWEZNQCLSA-N	-1	0	392.437	1.440	40	0		GDABRM
CC(=O)NCc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])s1	ZINC000663255181	570253769	/nfs/dbraw/zinc/25/37/69/570253769.db2.gz	JFHJWPAWZRIJCX-MRXNPFEDSA-N	-1	0	394.474	1.757	40	0		GDABRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2S(N)(=O)=O)cc1OC	ZINC000217404235	570316031	/nfs/dbraw/zinc/31/60/31/570316031.db2.gz	WOBOKRVSZKRBRW-UHFFFAOYSA-N	-1	0	380.422	1.704	40	0		GDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOCC	ZINC000217509427	570317523	/nfs/dbraw/zinc/31/75/23/570317523.db2.gz	QQCIMGZYSHXTQA-UHFFFAOYSA-N	-1	0	388.486	1.928	40	0		GDABRM
C[C@@H](CC(=O)[O-])CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000656233041	570680040	/nfs/dbraw/zinc/68/00/40/570680040.db2.gz	YBUVPUQLXXYSQD-GFCCVEGCSA-N	-1	0	386.445	1.596	40	0		GDABRM
O=C([O-])COCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@]2(C1)CCCCC(=O)N2	ZINC000257239825	570767849	/nfs/dbraw/zinc/76/78/49/570767849.db2.gz	HQYJSUWAABNLMM-HNAYVOBHSA-N	-1	0	378.400	1.282	40	0		GDABRM
NC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)sc2c1CCCCC2	ZINC000017077377	570916794	/nfs/dbraw/zinc/91/67/94/570916794.db2.gz	SOHZVDDTMVVBAV-DJBIQUGXSA-N	-1	0	378.450	1.933	40	0		GDABRM
COc1ccc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)c(OC)c1	ZINC000328966692	571047450	/nfs/dbraw/zinc/04/74/50/571047450.db2.gz	COCHMGRCXGAXAQ-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)Cc2ccccc2F)s1	ZINC000223195638	531028566	/nfs/dbraw/zinc/02/85/66/531028566.db2.gz	MXYGPOBACBFPNE-UHFFFAOYSA-N	-1	0	377.444	1.884	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2nnc(SC(C)C)s2)s1	ZINC000225094371	531030173	/nfs/dbraw/zinc/03/01/73/531030173.db2.gz	DSFGPRCLMJCMDO-UHFFFAOYSA-N	-1	0	380.502	1.649	40	0		GDABRM
Cc1ccc(NC(=O)CN2C(=O)S[C@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000101375835	208392211	/nfs/dbraw/zinc/39/22/11/208392211.db2.gz	QPNDQUCAYYKUMS-WDEREUQCSA-N	-1	0	379.419	1.349	40	0		GDABRM
COc1ccc(CN(CC(=O)[O-])C(=O)[C@@H]2OCC(=O)N[C@@H]2c2ccccc2)cc1	ZINC000257223056	209057670	/nfs/dbraw/zinc/05/76/70/209057670.db2.gz	DVSMCTBYSCZXNJ-WOJBJXKFSA-N	-1	0	398.415	1.365	40	0		GDABRM
O=C([O-])COc1ccccc1/C=c1\sc2nc(-c3ccncc3)nn2c1=O	ZINC000256028095	209046638	/nfs/dbraw/zinc/04/66/38/209046638.db2.gz	SUVUGMIPHXULFH-ZROIWOOFSA-N	-1	0	380.385	1.224	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1cncc(-c2cccc(C(=O)[O-])c2)n1	ZINC000257274727	209066840	/nfs/dbraw/zinc/06/68/40/209066840.db2.gz	NMJMBJHZDXBUKS-MRXNPFEDSA-N	-1	0	376.438	1.785	40	0		GDABRM
CC(C)(C)[C@H](NC(=O)[C@H](NC(=O)c1cnccn1)C1CCCCC1)C(=O)[O-]	ZINC000071974085	222201873	/nfs/dbraw/zinc/20/18/73/222201873.db2.gz	BZUKJNKTPCZNPM-HUUCEWRRSA-N	-1	0	376.457	1.771	40	0		GDABRM
Cc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)COCC(=O)[O-])n2)cc1	ZINC000031153561	560090623	/nfs/dbraw/zinc/09/06/23/560090623.db2.gz	ZZCOWNYZXBWFBD-HNNXBMFYSA-N	-1	0	397.391	1.495	40	0	biogenic,in-vitro	GDABRM
COc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585273688	570242816	/nfs/dbraw/zinc/24/28/16/570242816.db2.gz	TVZCGMFPFACXOR-UHFFFAOYSA-N	-1	0	392.458	1.656	40	0		GDABRM
Cc1ccc(Cl)cc1-n1c(=O)[nH]c(C(=O)[O-])c(CN2CCOCC2)c1=O	ZINC000222667819	570419554	/nfs/dbraw/zinc/41/95/54/570419554.db2.gz	OWALYONTNTYJBA-UHFFFAOYSA-N	-1	0	379.800	1.018	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCCO3)cc1F	ZINC000225110879	570549902	/nfs/dbraw/zinc/54/99/02/570549902.db2.gz	VPMPKTXTTIANIQ-UHFFFAOYSA-N	-1	0	397.380	1.885	40	0		GDABRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@@H](N1CCOCC1)C(F)(F)F	ZINC000285347213	962884613	/nfs/dbraw/zinc/88/46/13/962884613.db2.gz	HCZQXBQEUQSUMH-CYBMUJFWSA-N	-1	0	396.387	1.235	40	0		GDABRM
Cc1cc(C(=O)[O-])ccc1S(=O)(=O)NC[C@H](N1CCOCC1)C(F)(F)F	ZINC000285347216	962885730	/nfs/dbraw/zinc/88/57/30/962885730.db2.gz	HCZQXBQEUQSUMH-ZDUSSCGKSA-N	-1	0	396.387	1.235	40	0		GDABRM
COc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)c(CC(=O)[O-])c1	ZINC000578765112	974861280	/nfs/dbraw/zinc/86/12/80/974861280.db2.gz	HJBIDHNPEKOEPF-IAOVAPTHSA-N	-1	0	383.466	1.804	40	0		GDABRM
CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cc(Br)cs1	ZINC000180162104	530759251	/nfs/dbraw/zinc/75/92/51/530759251.db2.gz	QOXVPKWHHKTOHG-SECBINFHSA-N	-1	0	389.271	1.906	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)c2ccc3c(c2)OCCO3)s1	ZINC000222742187	531028631	/nfs/dbraw/zinc/02/86/31/531028631.db2.gz	CQMHJLDUBQOXOP-QMMMGPOBSA-N	-1	0	384.439	1.307	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(Br)c1	ZINC000262453422	531120712	/nfs/dbraw/zinc/12/07/12/531120712.db2.gz	KIXVFMUYOXRSFY-VIFPVBQESA-N	-1	0	378.244	1.943	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1N1CCCC1=O	ZINC000022516100	207255386	/nfs/dbraw/zinc/25/53/86/207255386.db2.gz	JAUYYHPLRFUVIS-UHFFFAOYSA-N	-1	0	389.433	1.722	40	0		GDABRM
C[C@@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	ZINC000052971176	207721264	/nfs/dbraw/zinc/72/12/64/207721264.db2.gz	JTSDOOPWZSRZLV-GFCCVEGCSA-N	-1	0	396.490	1.953	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@@H]1CCN(C(=O)c3cnc(OC)nc3)C1)cc2=O	ZINC000100727975	208379028	/nfs/dbraw/zinc/37/90/28/208379028.db2.gz	DMDSBWMLZODSFE-GFCCVEGCSA-N	-1	0	382.424	1.734	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)s1	ZINC000225719720	208970103	/nfs/dbraw/zinc/97/01/03/208970103.db2.gz	BPRTXCBYPORSJH-UHFFFAOYSA-N	-1	0	395.466	1.814	40	0		GDABRM
Cc1nc(-c2cccc(C(=O)[O-])c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257210439	209056505	/nfs/dbraw/zinc/05/65/05/209056505.db2.gz	BUPOPNCSOGYRPH-HNNXBMFYSA-N	-1	0	390.465	1.746	40	0		GDABRM
Cn1cc(C(=O)N2CCO[C@H](c3cccc([N-]c4nncs4)n3)C2)ccc1=O	ZINC000257275886	209066152	/nfs/dbraw/zinc/06/61/52/209066152.db2.gz	NRJVFZZVQRBDHA-AWEZNQCLSA-N	-1	0	398.448	1.589	40	0		GDABRM
Nc1nc2c(c(N)n1)C[C@]1(CCCN(C(=O)c3ccccc3C(=O)[O-])CC1)O2	ZINC000257276928	209067603	/nfs/dbraw/zinc/06/76/03/209067603.db2.gz	NVSLGMJLUIEXKU-LJQANCHMSA-N	-1	0	383.408	1.339	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1N1CCOCC1	ZINC000217616772	136203384	/nfs/dbraw/zinc/20/33/84/136203384.db2.gz	RMRHGSYWMPQJSH-UHFFFAOYSA-N	-1	0	390.461	1.742	40	0		GDABRM
Cc1nn(C[C@@]2(C)Cc3c([nH]c(=O)[nH]c3=O)O2)c(C)c1-c1cc(C(=O)[O-])n[nH]1	ZINC000257335563	209077967	/nfs/dbraw/zinc/07/79/67/209077967.db2.gz	YKRZPRQTNBIRRC-QGZVFWFLSA-N	-1	0	386.368	1.183	40	0		GDABRM
COc1cc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])ccc1O	ZINC000008665511	518130615	/nfs/dbraw/zinc/13/06/15/518130615.db2.gz	CZTRBMMRFGMOKC-IYXSFGJNSA-N	-1	0	392.433	1.046	40	0		GDABRM
Cc1ccc(-c2noc([C@@H]3C[C@H](NC(=O)CSCC(=O)[O-])CN3C)n2)cc1	ZINC000012529739	560212676	/nfs/dbraw/zinc/21/26/76/560212676.db2.gz	JAWHXUJYLJVJED-KBPBESRZSA-N	-1	0	390.465	1.724	40	0	biogenic,in-vitro	GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C)O[C@H](C)C(=O)N2	ZINC000585271863	570242591	/nfs/dbraw/zinc/24/25/91/570242591.db2.gz	KUINZKHRWFEIQH-MRVPVSSYSA-N	-1	0	398.828	1.220	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cnc(C)nc3C)cc2NC1=O	ZINC000585281620	570248173	/nfs/dbraw/zinc/24/81/73/570248173.db2.gz	NKKMIGFVSFXXRZ-CQSZACIVSA-N	-1	0	390.421	1.322	40	0		GDABRM
Cc1cnc2c(cccc2S(=O)(=O)NC[C@H](C(=O)[O-])C2CCOCC2)c1	ZINC000564853494	570310137	/nfs/dbraw/zinc/31/01/37/570310137.db2.gz	CWNKSJPCLGTSHY-HNNXBMFYSA-N	-1	0	378.450	1.949	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000035898159	570437518	/nfs/dbraw/zinc/43/75/18/570437518.db2.gz	OYNBLHHNRRTGQJ-QXSJWSMHSA-N	-1	0	394.449	1.288	40	0		GDABRM
CC(C)(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1	ZINC000223074476	570441597	/nfs/dbraw/zinc/44/15/97/570441597.db2.gz	TWTIXDSJPQINFF-UHFFFAOYSA-N	-1	0	398.466	1.730	40	0		GDABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)NC)cc1	ZINC000223280353	570455747	/nfs/dbraw/zinc/45/57/47/570455747.db2.gz	VJGRZTLHTPFNNI-UHFFFAOYSA-N	-1	0	392.433	1.789	40	0		GDABRM
Cc1ccc(C)c(Cn2nnc3c2nc(C(=O)NC[C@H]2CCCO2)[n-]c3=O)c1	ZINC000004898722	570637525	/nfs/dbraw/zinc/63/75/25/570637525.db2.gz	SCZHCLLSGOKWFQ-CQSZACIVSA-N	-1	0	382.424	1.501	40	0		GDABRM
Cc1cc(S(=O)(=O)N2CCCC2)ccc1OCc1ncc(C(=O)[O-])c(=O)[nH]1	ZINC000226105194	570641701	/nfs/dbraw/zinc/64/17/01/570641701.db2.gz	UNBJPPIRNHYYQW-UHFFFAOYSA-N	-1	0	393.421	1.140	40	0		GDABRM
Cc1cc(SCC(=O)[O-])nc(CCc2ccc(S(=O)(=O)N(C)C)cc2)n1	ZINC000049468996	570663948	/nfs/dbraw/zinc/66/39/48/570663948.db2.gz	OWXDHLDGVHBUMK-UHFFFAOYSA-N	-1	0	395.506	1.997	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000013320898	570838287	/nfs/dbraw/zinc/83/82/87/570838287.db2.gz	MXDIUNHDLOILHZ-NEBZKDRISA-N	-1	0	398.506	1.328	40	0		GDABRM
Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCN(c3cccnn3)CC2)c1C	ZINC000566181076	601232817	/nfs/dbraw/zinc/23/28/17/601232817.db2.gz	VZVDAZCBSNVCGG-UHFFFAOYSA-N	-1	0	376.438	1.303	40	0		GDABRM
Cc1c([C@H](NS(=O)(=O)c2ccc(Br)s2)C(=O)[O-])cnn1C	ZINC000530488052	649976458	/nfs/dbraw/zinc/97/64/58/649976458.db2.gz	ZDDPDVUGOQSYOB-JTQLQIEISA-N	-1	0	394.272	1.657	40	0		GDABRM
CNC(=O)[C@@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1	ZINC000408596852	529895450	/nfs/dbraw/zinc/89/54/50/529895450.db2.gz	SRQXTUXOZORFET-GFCCVEGCSA-N	-1	0	392.433	1.787	40	0		GDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])cc1	ZINC000217723811	531027476	/nfs/dbraw/zinc/02/74/76/531027476.db2.gz	ALDIBOAGFWVUGK-UHFFFAOYSA-N	-1	0	384.797	1.703	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(Br)c1	ZINC000262453420	531120529	/nfs/dbraw/zinc/12/05/29/531120529.db2.gz	KIXVFMUYOXRSFY-SECBINFHSA-N	-1	0	378.244	1.943	40	0		GDABRM
O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000000951774	206336283	/nfs/dbraw/zinc/33/62/83/206336283.db2.gz	IKZIMWGLKBWNBI-XEZPLFJOSA-N	-1	0	381.310	1.891	40	0		GDABRM
Cc1cc([N-]c2nncs2)nc([C@@H]2CCCN(S(=O)(=O)N(C)C)C2)n1	ZINC000072360039	208004249	/nfs/dbraw/zinc/00/42/49/208004249.db2.gz	KQSUUFJWEKCZTM-LLVKDONJSA-N	-1	0	383.503	1.366	40	0		GDABRM
O=C(Cn1cncn1)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CCCC4)CC1	ZINC000100137595	208372059	/nfs/dbraw/zinc/37/20/59/208372059.db2.gz	WEZRNLDNRFTOEM-UHFFFAOYSA-N	-1	0	381.440	1.311	40	0		GDABRM
COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCC(=O)[O-])cc1OC	ZINC000013590500	208784319	/nfs/dbraw/zinc/78/43/19/208784319.db2.gz	WYVMIPCCWQRISB-XNTDXEJSSA-N	-1	0	384.388	1.676	40	0		GDABRM
COCCCNS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1	ZINC000217602708	208828901	/nfs/dbraw/zinc/82/89/01/208828901.db2.gz	UJWKKAXMXYPMIF-UHFFFAOYSA-N	-1	0	388.486	1.927	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)s1	ZINC000225071003	208940259	/nfs/dbraw/zinc/94/02/59/208940259.db2.gz	YBSSLOUDPHJMNI-UHFFFAOYSA-N	-1	0	385.452	1.211	40	0		GDABRM
CN(C[C@@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000257200493	209054207	/nfs/dbraw/zinc/05/42/07/209054207.db2.gz	ADOIMOHFMZCJKA-FQEVSTJZSA-N	-1	0	388.468	1.625	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cncc(-c2ccccc2C(=O)[O-])n1	ZINC000257300174	209070702	/nfs/dbraw/zinc/07/07/02/209070702.db2.gz	RTFBNAIIXCRBMR-INIZCTEOSA-N	-1	0	376.438	1.785	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H](c2ccc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257330430	209077092	/nfs/dbraw/zinc/07/70/92/209077092.db2.gz	XOJYFYJUAQYTSI-CQSZACIVSA-N	-1	0	390.465	1.828	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1O	ZINC000408589765	528194674	/nfs/dbraw/zinc/19/46/74/528194674.db2.gz	FKPJQAFLYJRJMJ-RUDMXATFSA-N	-1	0	385.170	1.531	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)Cc3ccc(F)cc3)ccc21	ZINC000585272896	570241658	/nfs/dbraw/zinc/24/16/58/570241658.db2.gz	PFOJVRSSMBPCQD-UHFFFAOYSA-N	-1	0	380.422	1.787	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3ccccc3F)cc2NC1=O	ZINC000585281515	570247919	/nfs/dbraw/zinc/24/79/19/570247919.db2.gz	KSDQUMADNMHWTR-HNNXBMFYSA-N	-1	0	392.408	1.983	40	0		GDABRM
CNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccc(OC)c(OC)c1	ZINC000217407110	570315998	/nfs/dbraw/zinc/31/59/98/570315998.db2.gz	UURVOGPUZHDNJO-UHFFFAOYSA-N	-1	0	394.449	1.965	40	0		GDABRM
O=C([O-])c1ccc(NCCCO)c(S(=O)(=O)NCCc2ccccc2)c1	ZINC000217482422	570316974	/nfs/dbraw/zinc/31/69/74/570316974.db2.gz	JYEGCFQBRRYQCL-UHFFFAOYSA-N	-1	0	378.450	1.700	40	0		GDABRM
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCC(=O)[O-]	ZINC000006309092	570741676	/nfs/dbraw/zinc/74/16/76/570741676.db2.gz	FMEPYOPMVWUAEL-UHFFFAOYSA-N	-1	0	388.380	1.813	40	0		GDABRM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc(C2CCN(S(C)(=O)=O)CC2)n1	ZINC000257231023	570765197	/nfs/dbraw/zinc/76/51/97/570765197.db2.gz	GEWUKOSHPMSNRP-UHFFFAOYSA-N	-1	0	376.438	1.684	40	0		GDABRM
COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)[O-])cc2)C1	ZINC000008732569	570772056	/nfs/dbraw/zinc/77/20/56/570772056.db2.gz	NYBBPAHZNQDGAU-HNNXBMFYSA-N	-1	0	398.415	1.828	40	0		GDABRM
O=C([O-])[C@H]1NCCN(C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1	ZINC000066348446	570776591	/nfs/dbraw/zinc/77/65/91/570776591.db2.gz	LBABDCBWBCYJSH-ZWKOTPCHSA-N	-1	0	398.415	1.794	40	0		GDABRM
O=C([O-])C1CCN(S(=O)(=O)NCc2c(F)cccc2OC(F)F)CC1	ZINC000567792781	650921729	/nfs/dbraw/zinc/92/17/29/650921729.db2.gz	PWXPZWLOLDATTR-UHFFFAOYSA-N	-1	0	382.360	1.558	40	0		GDABRM
COc1ccc(S(=O)(=O)N[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)c(CC(=O)[O-])c1	ZINC000578765115	974861146	/nfs/dbraw/zinc/86/11/46/974861146.db2.gz	HJBIDHNPEKOEPF-XYPHTWIQSA-N	-1	0	383.466	1.804	40	0		GDABRM
Cc1cc2nc([C@@H](NS(=O)(=O)c3cnn(C)c3C)C(C)C)cc(=O)n2[n-]1	ZINC000019129596	210227980	/nfs/dbraw/zinc/22/79/80/210227980.db2.gz	WCHHTCRLGVJZSZ-INIZCTEOSA-N	-1	0	378.458	1.461	40	0		GDABRM
CSCC[C@H](NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)C(=O)[O-]	ZINC000004899704	530537690	/nfs/dbraw/zinc/53/76/90/530537690.db2.gz	MABHRCYXNJACEV-QWRGUYRKSA-N	-1	0	380.532	1.955	40	0		GDABRM
COc1cccc(NS(=O)(=O)c2ccc(N3C[C@H](C(=O)[O-])CC3=O)cc2)c1	ZINC000032080996	209181089	/nfs/dbraw/zinc/18/10/89/209181089.db2.gz	GBLRMRQBYZXSRZ-GFCCVEGCSA-N	-1	0	390.417	1.934	40	0		GDABRM
CS(=O)(=O)N1CCC[C@H](Cc2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257309573	212022001	/nfs/dbraw/zinc/02/20/01/212022001.db2.gz	UBLJFPLHDIEODJ-GFCCVEGCSA-N	-1	0	376.438	1.451	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cncc(-c2cccc(C(=O)[O-])c2)n1	ZINC000257274726	212014699	/nfs/dbraw/zinc/01/46/99/212014699.db2.gz	NMJMBJHZDXBUKS-INIZCTEOSA-N	-1	0	376.438	1.785	40	0		GDABRM
Cc1cc(N2CCC[C@@](O)(CNC(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257273336	212014479	/nfs/dbraw/zinc/01/44/79/212014479.db2.gz	NGDRHTHTJIWHSA-HXUWFJFHSA-N	-1	0	386.452	1.641	40	0		GDABRM
Cc1ccc2nccc(N3CC[C@](O)(CN(C)C(=O)CCCC(=O)[O-])C3)c2n1	ZINC000257258316	212013322	/nfs/dbraw/zinc/01/33/22/212013322.db2.gz	KTIBDZIIBOBLOJ-FQEVSTJZSA-N	-1	0	386.452	1.593	40	0		GDABRM
CC(=O)N1CCN(Cc2ccc(-c3ccccc3C(=O)[O-])cc2)C[C@H]1C(N)=O	ZINC000257256546	212012554	/nfs/dbraw/zinc/01/25/54/212012554.db2.gz	KLYGSTLMWIVFKV-IBGZPJMESA-N	-1	0	381.432	1.570	40	0		GDABRM
CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000224924627	211877283	/nfs/dbraw/zinc/87/72/83/211877283.db2.gz	CINICTDCZMJCSV-UHFFFAOYSA-N	-1	0	383.455	1.437	40	0		GDABRM
CN(C)S(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(C(=O)[O-])cc2)cc1	ZINC000020245918	210325037	/nfs/dbraw/zinc/32/50/37/210325037.db2.gz	MIFMMASIVSSZAL-UHFFFAOYSA-N	-1	0	377.422	1.880	40	0		GDABRM
Cc1ccccc1CC(=O)[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2C	ZINC000585271079	570239781	/nfs/dbraw/zinc/23/97/81/570239781.db2.gz	GQXRMCWVOCRFOO-UHFFFAOYSA-N	-1	0	376.459	1.956	40	0		GDABRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)cn1	ZINC000585272125	570242480	/nfs/dbraw/zinc/24/24/80/570242480.db2.gz	LJELQKFYQYGKDL-SNVBAGLBSA-N	-1	0	378.410	1.050	40	0		GDABRM
COCCNc1ccc(S(=O)(=O)NCCc2ccccc2)cc1C(=O)[O-]	ZINC000217615391	570319121	/nfs/dbraw/zinc/31/91/21/570319121.db2.gz	GSKUBRQDALIZRY-UHFFFAOYSA-N	-1	0	378.450	1.964	40	0		GDABRM
CS(=O)(=O)c1ccc([C@@]2(NC(=O)c3cccc(C(=O)[O-])c3)CCOC2)cc1	ZINC000685938948	570398035	/nfs/dbraw/zinc/39/80/35/570398035.db2.gz	ATSDBJZOLFGRIE-LJQANCHMSA-N	-1	0	389.429	1.834	40	0		GDABRM
CCS(=O)(=O)N(C)c1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1	ZINC000226106485	570641651	/nfs/dbraw/zinc/64/16/51/570641651.db2.gz	TUSHUIUXGXWBKD-UHFFFAOYSA-N	-1	0	379.438	1.082	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc(C(=O)[O-])c(=O)[nH]3)C2)cc1	ZINC000260680923	570678641	/nfs/dbraw/zinc/67/86/41/570678641.db2.gz	YDVTYYJKZNCLRS-NSHDSACASA-N	-1	0	393.421	1.457	40	0		GDABRM
COc1ccc(S(=O)(=O)NC2CCN(c3ccccn3)CC2)cc1C(=O)[O-]	ZINC000368458482	600578628	/nfs/dbraw/zinc/57/86/28/600578628.db2.gz	MYFYUGQPYYAMLD-UHFFFAOYSA-N	-1	0	391.449	1.736	40	0		GDABRM
O=C([O-])CN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000013029796	530558017	/nfs/dbraw/zinc/55/80/17/530558017.db2.gz	GAAUQWGBHALVRY-CQSZACIVSA-N	-1	0	383.447	1.102	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)Cc2ccc(F)cc2)s1	ZINC000223222406	531028376	/nfs/dbraw/zinc/02/83/76/531028376.db2.gz	DBBWIKHOVAPBFD-UHFFFAOYSA-N	-1	0	377.444	1.884	40	0		GDABRM
CCOCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(C)cc2)s1	ZINC000224907352	531030017	/nfs/dbraw/zinc/03/00/17/531030017.db2.gz	KXKTUOMYHJNPRJ-UHFFFAOYSA-N	-1	0	384.483	1.804	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)c(C)c1	ZINC000575424464	532014133	/nfs/dbraw/zinc/01/41/33/532014133.db2.gz	LLKLMFLVCKZTTO-AWEZNQCLSA-N	-1	0	389.495	1.346	40	0		GDABRM
CS(=O)(=O)N1CCC[C@H](Cc2cc(-c3cncc(C(=O)[O-])c3)ncn2)C1	ZINC000257329140	212026750	/nfs/dbraw/zinc/02/67/50/212026750.db2.gz	XIRZRIBGQWVNJD-GFCCVEGCSA-N	-1	0	376.438	1.451	40	0		GDABRM
Cc1ccc2nccc(N3CC[C@@](O)(CN(C)C(=O)CCCC(=O)[O-])C3)c2n1	ZINC000257258317	212013117	/nfs/dbraw/zinc/01/31/17/212013117.db2.gz	KTIBDZIIBOBLOJ-HXUWFJFHSA-N	-1	0	386.452	1.593	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1cnc(-c2cccc(C(=O)[O-])c2)cn1	ZINC000257206638	212003690	/nfs/dbraw/zinc/00/36/90/212003690.db2.gz	BEIGDYNNZOINHN-MRXNPFEDSA-N	-1	0	376.438	1.785	40	0		GDABRM
CCOc1ccccc1N1C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])C1=O	ZINC000101273639	211395845	/nfs/dbraw/zinc/39/58/45/211395845.db2.gz	CZMYLYFEGRJPNM-RISCZKNCSA-N	-1	0	380.422	1.040	40	0		GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1c(Cl)cnn1C)O[C@@H](C)C(=O)N2	ZINC000585271864	570242449	/nfs/dbraw/zinc/24/24/49/570242449.db2.gz	KUINZKHRWFEIQH-QMMMGPOBSA-N	-1	0	398.828	1.220	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cnn(CC)c3)cc2NC1=O	ZINC000585282074	570249984	/nfs/dbraw/zinc/24/99/84/570249984.db2.gz	XJCBDRBEYMAWEW-CYBMUJFWSA-N	-1	0	378.410	1.131	40	0		GDABRM
COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@H]2CCOC2)cc1OC	ZINC000685938899	570398124	/nfs/dbraw/zinc/39/81/24/570398124.db2.gz	PLFBCJPYZRYVKF-XPTSAGLGSA-N	-1	0	393.845	1.214	40	0		GDABRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1	ZINC000223278300	570455836	/nfs/dbraw/zinc/45/58/36/570455836.db2.gz	RUPCKBSIHQUNEV-UHFFFAOYSA-N	-1	0	378.406	1.399	40	0		GDABRM
CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000223936202	570490830	/nfs/dbraw/zinc/49/08/30/570490830.db2.gz	VDAFXGZAEWRIDL-VIFPVBQESA-N	-1	0	397.482	1.826	40	0		GDABRM
CS(=O)(=O)N1CCN([C@@H](C(=O)[O-])c2ccc(Br)cc2F)CC1	ZINC000568061797	650935827	/nfs/dbraw/zinc/93/58/27/650935827.db2.gz	RLLGIWDLKDBFQR-GFCCVEGCSA-N	-1	0	395.250	1.291	40	0		GDABRM
CNC(=O)[C@H](C)Oc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)cc1	ZINC000408596853	529918147	/nfs/dbraw/zinc/91/81/47/529918147.db2.gz	SRQXTUXOZORFET-LBPRGKRZSA-N	-1	0	392.433	1.787	40	0		GDABRM
CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000013070928	530558228	/nfs/dbraw/zinc/55/82/28/530558228.db2.gz	KQWDFBBIRMNHPH-NSHDSACASA-N	-1	0	395.886	1.626	40	0		GDABRM
Cc1nc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)[nH]c(=O)c1CC(=O)[O-]	ZINC000049468732	530673977	/nfs/dbraw/zinc/67/39/77/530673977.db2.gz	MZBBBLADLUCCTO-UHFFFAOYSA-N	-1	0	385.829	1.180	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3)cc2)s1	ZINC000223109878	531028213	/nfs/dbraw/zinc/02/82/13/531028213.db2.gz	DZIFOINQVDVEHA-UHFFFAOYSA-N	-1	0	378.439	1.161	40	0		GDABRM
O=C([O-])[C@@H](CCCN1C(=O)c2ccccc2C1=O)N1C(=O)c2ccccc2C1=O	ZINC000001710544	209337191	/nfs/dbraw/zinc/33/71/91/209337191.db2.gz	IVEHFUSBILQVGT-MRXNPFEDSA-N	-1	0	392.367	1.812	40	0		GDABRM
CS(=O)(=O)N1CCC[C@@H](Cc2nccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257309574	212022537	/nfs/dbraw/zinc/02/25/37/212022537.db2.gz	UBLJFPLHDIEODJ-LBPRGKRZSA-N	-1	0	376.438	1.451	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)NC[C@@]1(O)CCN(c2ccnc3ccncc32)C1	ZINC000257279820	212016463	/nfs/dbraw/zinc/01/64/63/212016463.db2.gz	OIIIWHDTRUZRBP-FQEVSTJZSA-N	-1	0	386.452	1.578	40	0		GDABRM
CN(C[C@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCC(=O)[O-]	ZINC000257228959	212007319	/nfs/dbraw/zinc/00/73/19/212007319.db2.gz	FVZSERWQXVYARR-HXUWFJFHSA-N	-1	0	386.452	1.674	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000102625149	211413050	/nfs/dbraw/zinc/41/30/50/211413050.db2.gz	SBKWUPVMXCVGAR-FSDCSDTHSA-N	-1	0	390.461	1.042	40	0		GDABRM
CCOc1ccc(N2C(=O)C[C@H](SC[C@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000101273641	211396560	/nfs/dbraw/zinc/39/65/60/211396560.db2.gz	CZMOXSLQDAJCMH-KBPBESRZSA-N	-1	0	380.422	1.040	40	0		GDABRM
Cc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000100354715	211385649	/nfs/dbraw/zinc/38/56/49/211385649.db2.gz	XVYGLIKZZZCIQR-RHSMWYFYSA-N	-1	0	378.340	1.820	40	0		GDABRM
COc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC	ZINC000072389820	211108731	/nfs/dbraw/zinc/10/87/31/211108731.db2.gz	GBHLGXHFYZABKJ-CQSZACIVSA-N	-1	0	387.436	1.663	40	0		GDABRM
CCc1ccc(CCOc2ccc(C[C@H](C(N)=O)S(=O)(=O)[O-])cc2)nc1	ZINC000067665312	211014838	/nfs/dbraw/zinc/01/48/38/211014838.db2.gz	GKXIVIFUPLEQLN-QGZVFWFLSA-N	-1	0	378.450	1.550	40	0	in-vitro	GDABRM
COCCN1C[C@H](c2cc(=O)n3[n-]cc(C(=O)Nc4ccccc4)c3n2)CC1=O	ZINC000019593361	210274184	/nfs/dbraw/zinc/27/41/84/210274184.db2.gz	LDDTZJIUPAUVTN-CYBMUJFWSA-N	-1	0	395.419	1.650	40	0		GDABRM
CCN1C(=O)N/C(=C/c2cc(Br)c(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409249491	528952709	/nfs/dbraw/zinc/95/27/09/528952709.db2.gz	UIZAEYCFRZBICE-BJMVGYQFSA-N	-1	0	399.197	1.834	40	0		GDABRM
COc1ccc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)cc1OC	ZINC000329020320	570213499	/nfs/dbraw/zinc/21/34/99/570213499.db2.gz	OAVIZNKOCNLISY-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
COCc1cccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)c1	ZINC000585271862	570241720	/nfs/dbraw/zinc/24/17/20/570241720.db2.gz	KUHMDIXEUIFJID-UHFFFAOYSA-N	-1	0	376.390	1.283	40	0		GDABRM
COc1ccc(C(=O)CN(CCCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1OC	ZINC000575420628	570308022	/nfs/dbraw/zinc/30/80/22/570308022.db2.gz	CYZZHORDWLAKSH-AWEZNQCLSA-N	-1	0	399.465	1.240	40	0		GDABRM
COC[C@@H](C)Nc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)[O-]	ZINC000217647526	570319998	/nfs/dbraw/zinc/31/99/98/570319998.db2.gz	HNTGFNBDIMLRFG-CYBMUJFWSA-N	-1	0	388.486	1.925	40	0		GDABRM
CS(=O)(=O)c1ccc([C@]2(NC(=O)c3cccc(C(=O)[O-])c3)CCOC2)cc1	ZINC000685938947	570398230	/nfs/dbraw/zinc/39/82/30/570398230.db2.gz	ATSDBJZOLFGRIE-IBGZPJMESA-N	-1	0	389.429	1.834	40	0		GDABRM
O=C([O-])c1[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c(=O)c1CN1CCOCC1	ZINC000222670513	570419939	/nfs/dbraw/zinc/41/99/39/570419939.db2.gz	INCJFTMJESAEBV-UHFFFAOYSA-N	-1	0	399.325	1.075	40	0		GDABRM
C[C@@H](Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl)C(=O)[O-]	ZINC000005295913	570433279	/nfs/dbraw/zinc/43/32/79/570433279.db2.gz	KYIGWBVWMSQHJU-MRVPVSSYSA-N	-1	0	394.840	1.690	40	0		GDABRM
CCCC(=O)Nc1ncnc2c1ncn2[C@H]1C[C@@H]2O[P@](=O)([O-])OC[C@H]2O1	ZINC000031516972	570505054	/nfs/dbraw/zinc/50/50/54/570505054.db2.gz	PGBAADZFIQHGBW-IQJOONFLSA-N	-1	0	383.301	1.368	40	0		GDABRM
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000224824458	570532651	/nfs/dbraw/zinc/53/26/51/570532651.db2.gz	DEIWAXHXIUNCDY-UHFFFAOYSA-N	-1	0	379.390	1.746	40	0		GDABRM
Cc1ccc(S(=O)(=O)N2CCC[C@H](c3ncc(C(=O)[O-])c(=O)[nH]3)C2)cc1	ZINC000260677525	570678200	/nfs/dbraw/zinc/67/82/00/570678200.db2.gz	HEYVZAGWMLEZSN-LBPRGKRZSA-N	-1	0	377.422	1.757	40	0		GDABRM
O=C([O-])COc1ccc(N2C[C@H](C(=O)NCCc3ccccc3)CC2=O)cc1	ZINC000008732576	570772139	/nfs/dbraw/zinc/77/21/39/570772139.db2.gz	BNQPNXBCWUPICE-MRXNPFEDSA-N	-1	0	382.416	1.862	40	0		GDABRM
O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)C1CCS(=O)(=O)CC1	ZINC000262054517	600534680	/nfs/dbraw/zinc/53/46/80/600534680.db2.gz	AUILOTOFVOZTFC-UHFFFAOYSA-N	-1	0	375.393	1.593	40	0		GDABRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@H]2CCCOC2)cc1Br	ZINC000574328103	651532963	/nfs/dbraw/zinc/53/29/63/651532963.db2.gz	SZYALMCTCSFJKJ-SECBINFHSA-N	-1	0	378.244	1.852	40	0		GDABRM
C[C@](CC(=O)N1CCN(S(C)(=O)=O)CC1)(C(=O)[O-])c1ccc(Cl)cc1	ZINC000634894408	653503065	/nfs/dbraw/zinc/50/30/65/653503065.db2.gz	WYZLAYFPYJDRAW-MRXNPFEDSA-N	-1	0	388.873	1.176	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)s1	ZINC000223201316	531028311	/nfs/dbraw/zinc/02/83/11/531028311.db2.gz	NWZVFEWGMHEAJB-UHFFFAOYSA-N	-1	0	393.443	1.752	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCSCc2ccccc2F)s1	ZINC000222613618	531028651	/nfs/dbraw/zinc/02/86/51/531028651.db2.gz	OOEQNGSHSNPZMZ-UHFFFAOYSA-N	-1	0	390.487	1.847	40	0		GDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccccn2)s1)c1ccccc1	ZINC000224023106	531028975	/nfs/dbraw/zinc/02/89/75/531028975.db2.gz	CCTVTLRADSPIAI-UHFFFAOYSA-N	-1	0	375.435	1.664	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(C(=O)OC)c2C)s1	ZINC000224928060	531030127	/nfs/dbraw/zinc/03/01/27/531030127.db2.gz	IBGGDXHGNMSJBT-UHFFFAOYSA-N	-1	0	384.439	1.782	40	0		GDABRM
NS(=O)(=O)c1ccc(N2CCC[C@H](OCC(F)(F)F)C2)c(C(=O)[O-])c1	ZINC000584055654	531610281	/nfs/dbraw/zinc/61/02/81/531610281.db2.gz	LXVPNOHKEASSTG-VIFPVBQESA-N	-1	0	382.360	1.580	40	0		GDABRM
CC(=O)N[C@H]1C[C@@H](C(=O)[O-])N(CC(=O)NCc2ccccn2)[C@H]1c1ccccc1	ZINC000257287894	212017705	/nfs/dbraw/zinc/01/77/05/212017705.db2.gz	PRXCRYUTYQBUES-BJLQDIEVSA-N	-1	0	396.447	1.103	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2nccnc2-c2ccc(C(=O)[O-])cc2)CC1	ZINC000257215735	212004658	/nfs/dbraw/zinc/00/46/58/212004658.db2.gz	CRKOLWFGZWCXRZ-UHFFFAOYSA-N	-1	0	390.465	1.828	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCC2)s1	ZINC000224138666	211853477	/nfs/dbraw/zinc/85/34/77/211853477.db2.gz	DTRXOIGUXKFRKQ-UHFFFAOYSA-N	-1	0	395.466	1.533	40	0		GDABRM
CCCCOC(=O)c1ccc(NC(=O)C[C@H]2SC[C@H](C(=O)[O-])NC2=O)cc1	ZINC000020635064	210354338	/nfs/dbraw/zinc/35/43/38/210354338.db2.gz	FAHKYRCAHLAKIP-ZIAGYGMSSA-N	-1	0	394.449	1.657	40	0		GDABRM
CNC(=O)c1cccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)[O-])c1	ZINC000585292206	570261608	/nfs/dbraw/zinc/26/16/08/570261608.db2.gz	FZBYJMRHTNFHRT-OAHLLOKOSA-N	-1	0	377.441	1.725	40	0		GDABRM
CC(C)(C)OC(=O)C[C@@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000006646043	570485886	/nfs/dbraw/zinc/48/58/86/570485886.db2.gz	CBJKNTGILVDNCZ-CYBMUJFWSA-N	-1	0	380.397	1.214	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)s1	ZINC000225571147	570589379	/nfs/dbraw/zinc/58/93/79/570589379.db2.gz	LLHVQHYHJBARGZ-UHFFFAOYSA-N	-1	0	395.466	1.733	40	0		GDABRM
COc1ccc(C)cc1CN1CCN([C@@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC000643874477	570671891	/nfs/dbraw/zinc/67/18/91/570671891.db2.gz	XMGGAIUXQONETA-GOSISDBHSA-N	-1	0	389.496	1.587	40	0		GDABRM
O=C([O-])CCCN1C(=O)[C@H]2[C@H]3C[C@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@H]2C1=O	ZINC000168169616	570775961	/nfs/dbraw/zinc/77/59/61/570775961.db2.gz	UYCJPKURVIQLEP-FYKFZVKRSA-N	-1	0	392.458	1.410	40	0		GDABRM
CCn1c2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2c(=O)n(CC)c1=O	ZINC000004148024	570992428	/nfs/dbraw/zinc/99/24/28/570992428.db2.gz	JLYJKMOVGFLKBV-UHFFFAOYSA-N	-1	0	378.410	1.300	40	0		GDABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1	ZINC000225872671	231036186	/nfs/dbraw/zinc/03/61/86/231036186.db2.gz	VXQFEMCCOYNDGD-NSHDSACASA-N	-1	0	382.467	1.556	40	0		GDABRM
Nc1cc(S(=O)(=O)[N-]S(=O)(=O)c2ccc(Cl)c(N)c2)ccc1Cl	ZINC000255190491	531092536	/nfs/dbraw/zinc/09/25/36/531092536.db2.gz	XNQKOMHQEYXZPW-UHFFFAOYSA-N	-1	0	396.277	1.825	40	0		GDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1C(=O)[O-]	ZINC000071195278	212057993	/nfs/dbraw/zinc/05/79/93/212057993.db2.gz	AWTHTCQAXZFLMJ-CQSZACIVSA-N	-1	0	386.433	1.926	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H](c2cc(-c3cncc(C(=O)[O-])c3)ccn2)C1	ZINC000257266090	212014248	/nfs/dbraw/zinc/01/42/48/212014248.db2.gz	MBNCBRBXYSGVPW-AWEZNQCLSA-N	-1	0	390.465	1.828	40	0		GDABRM
CC(=O)N[C@H]1C[C@@H](C(=O)[O-])N(CC(=O)Nc2cnn(C)c2C)[C@H]1c1ccccc1	ZINC000257256319	212012976	/nfs/dbraw/zinc/01/29/76/212012976.db2.gz	KKYXZUZLIGIDJW-IEZWGBDMSA-N	-1	0	399.451	1.072	40	0		GDABRM
Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccncc2)s1	ZINC000225312488	211891752	/nfs/dbraw/zinc/89/17/52/211891752.db2.gz	VXNYXMJAHUJBDG-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
O=C([O-])[C@@H]1NCCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)OCc1ccccc1	ZINC000066348437	211001582	/nfs/dbraw/zinc/00/15/82/211001582.db2.gz	LBABDCBWBCYJSH-MSOLQXFVSA-N	-1	0	398.415	1.794	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)N1CC[C@H]2NC(=O)N(c3ccc(F)cc3)C(=O)[C@H]21	ZINC000004260809	534988966	/nfs/dbraw/zinc/98/89/66/534988966.db2.gz	ZMFIXIPKIPAGKH-CJNGLKHVSA-N	-1	0	391.399	1.742	40	0	biogenic,in-vitro	GDABRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)cc1F	ZINC000585271678	570240038	/nfs/dbraw/zinc/24/00/38/570240038.db2.gz	JDPVMKWPWWWYRE-UHFFFAOYSA-N	-1	0	393.396	1.143	40	0		GDABRM
COc1ccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1	ZINC000585273436	570241511	/nfs/dbraw/zinc/24/15/11/570241511.db2.gz	REBNAKKGKRCSQP-UHFFFAOYSA-N	-1	0	392.458	1.656	40	0		GDABRM
COCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC(C)C	ZINC000217470261	570316574	/nfs/dbraw/zinc/31/65/74/570316574.db2.gz	OIFUDGBYZDRVOQ-UHFFFAOYSA-N	-1	0	388.486	1.927	40	0		GDABRM
COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1ccc(S(N)(=O)=O)cc1	ZINC000217730547	570320527	/nfs/dbraw/zinc/32/05/27/570320527.db2.gz	JQBCTIALLUWMCC-UHFFFAOYSA-N	-1	0	380.378	1.058	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccccc2-n2ccnc2C)s1	ZINC000224658496	570523016	/nfs/dbraw/zinc/52/30/16/570523016.db2.gz	SSNJNBKPJZTFRK-UHFFFAOYSA-N	-1	0	392.466	1.469	40	0		GDABRM
O=C(N[C@@H](Cc1nnn[n-]1)C(=O)OCc1ccccc1)OCc1ccccc1	ZINC000008642310	570535906	/nfs/dbraw/zinc/53/59/06/570535906.db2.gz	YICSHUMUQRYNOO-INIZCTEOSA-N	-1	0	381.392	1.781	40	0		GDABRM
Cc1nc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C(=O)[O-]	ZINC000226105088	570641556	/nfs/dbraw/zinc/64/15/56/570641556.db2.gz	SMNRFYZEQBCLST-UHFFFAOYSA-N	-1	0	393.421	1.083	40	0		GDABRM
COc1cccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)[O-])cc3)C2)c1	ZINC000008732571	570772164	/nfs/dbraw/zinc/77/21/64/570772164.db2.gz	OUWOXXBMTPPXHS-HNNXBMFYSA-N	-1	0	398.415	1.828	40	0		GDABRM
O=C([O-])c1cccnc1S[C@@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000017877350	210212243	/nfs/dbraw/zinc/21/22/43/210212243.db2.gz	AUGVEXWMFUBPQX-CQSZACIVSA-N	-1	0	386.385	1.928	40	0		GDABRM
Cc1cccc(NC(=O)CN2C(=O)S[C@@H]([C@H]3SC(=O)[N-]C3=O)C2=O)c1	ZINC000065090482	530753166	/nfs/dbraw/zinc/75/31/66/530753166.db2.gz	CSEAQGMLWDHINI-MNOVXSKESA-N	-1	0	379.419	1.349	40	0		GDABRM
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)[O-])cc1	ZINC000217716477	531027042	/nfs/dbraw/zinc/02/70/42/531027042.db2.gz	FVXPWQGTONVRDR-UHFFFAOYSA-N	-1	0	384.797	1.703	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2cccc(C(F)(F)F)c2)s1	ZINC000222675392	531028124	/nfs/dbraw/zinc/02/81/24/531028124.db2.gz	MBCOOOUMXMKACY-UHFFFAOYSA-N	-1	0	380.373	1.994	40	0		GDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2cccnc2)s1)c1ccccc1	ZINC000222652758	531028302	/nfs/dbraw/zinc/02/83/02/531028302.db2.gz	MAWVYJXCAHMXCQ-UHFFFAOYSA-N	-1	0	375.435	1.664	40	0		GDABRM
Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000224263403	531029236	/nfs/dbraw/zinc/02/92/36/531029236.db2.gz	VYTHTGGJVHMZKQ-UHFFFAOYSA-N	-1	0	385.467	1.877	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2C(C)C)s1	ZINC000223834941	531029342	/nfs/dbraw/zinc/02/93/42/531029342.db2.gz	NKEWVOUYJHJZED-UHFFFAOYSA-N	-1	0	384.483	1.977	40	0		GDABRM
COC(=O)CSc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1	ZINC000225211454	531030250	/nfs/dbraw/zinc/03/02/50/531030250.db2.gz	XICZUJMJEBLEMR-UHFFFAOYSA-N	-1	0	375.453	1.613	40	0		GDABRM
CCn1c2ccc([N-]S(=O)(=O)c3nnc(NC(C)=O)s3)cc2sc1=O	ZINC000225125914	531030339	/nfs/dbraw/zinc/03/03/39/531030339.db2.gz	JAWASALXXFWRLG-UHFFFAOYSA-N	-1	0	399.479	1.694	40	0		GDABRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c(C)c1	ZINC000225632583	531030734	/nfs/dbraw/zinc/03/07/34/531030734.db2.gz	DOTMXENFZLSKJD-UHFFFAOYSA-N	-1	0	384.439	1.782	40	0		GDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1	ZINC000013582119	210071330	/nfs/dbraw/zinc/07/13/30/210071330.db2.gz	DIGSCGVZMMRPMW-UHFFFAOYSA-N	-1	0	377.378	1.034	40	0		GDABRM
CC[C@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425767	532014367	/nfs/dbraw/zinc/01/43/67/532014367.db2.gz	IONAGEKMJOTCAB-GXTWGEPZSA-N	-1	0	389.495	1.670	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@H](C)CN1CCOCC1	ZINC000273771018	532169519	/nfs/dbraw/zinc/16/95/19/532169519.db2.gz	XNNCNIXCFTTYRE-SNVBAGLBSA-N	-1	0	376.862	1.346	40	0		GDABRM
C[C@@H](C(=O)[O-])[C@@H](NC(=O)c1nn(Cc2ccc(F)cc2)c2ccccc12)C(N)=O	ZINC000299817225	212040289	/nfs/dbraw/zinc/04/02/89/212040289.db2.gz	NEZYQTIODXEXMK-BDJLRTHQSA-N	-1	0	398.394	1.528	40	0	in-vitro	GDABRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257307405	212022931	/nfs/dbraw/zinc/02/29/31/212022931.db2.gz	SYMXRHBXAAUSMC-HNNXBMFYSA-N	-1	0	390.465	1.746	40	0		GDABRM
Cc1cc(-c2ccccc2C(=O)[O-])nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257257191	212012899	/nfs/dbraw/zinc/01/28/99/212012899.db2.gz	KOLWNBVFWQOHNA-CYBMUJFWSA-N	-1	0	390.465	1.746	40	0		GDABRM
Cc1cccc(NC(=O)CN2C(=O)S[C@@H]([C@@H]3SC(=O)[N-]C3=O)C2=O)c1	ZINC000101375829	211398027	/nfs/dbraw/zinc/39/80/27/211398027.db2.gz	CSEAQGMLWDHINI-QWRGUYRKSA-N	-1	0	379.419	1.349	40	0		GDABRM
Cc1cc(=O)n2[n-]cc(C(=O)N3CCC(n4c(=O)oc5ccccc54)CC3)c2n1	ZINC000012184634	221164271	/nfs/dbraw/zinc/16/42/71/221164271.db2.gz	GQYXINVIRWWGQN-UHFFFAOYSA-N	-1	0	393.403	1.716	40	0		GDABRM
COc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000409195108	533472096	/nfs/dbraw/zinc/47/20/96/533472096.db2.gz	RIKNBTQROQNWLB-YCRREMRBSA-N	-1	0	385.170	1.444	40	0		GDABRM
COc1cc(Br)cc(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)c1OC	ZINC000408590754	533487638	/nfs/dbraw/zinc/48/76/38/533487638.db2.gz	HTNIWGYUQFHEMQ-RUDMXATFSA-N	-1	0	385.170	1.444	40	0		GDABRM
COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)c([O-])c(Br)c2)C1=O	ZINC000408548052	533501719	/nfs/dbraw/zinc/50/17/19/533501719.db2.gz	CKSFACMUFWWWDM-RUDMXATFSA-N	-1	0	389.589	1.874	40	0		GDABRM
CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])ncn1	ZINC000079440156	136173074	/nfs/dbraw/zinc/17/30/74/136173074.db2.gz	QHJKHHHXFPGDSR-CYBMUJFWSA-N	-1	0	379.461	1.833	40	0		GDABRM
O=C([O-])c1ccc(N2CCOCC2)c(S(=O)(=O)NCCc2ccccc2)c1	ZINC000217483875	136203303	/nfs/dbraw/zinc/20/33/03/136203303.db2.gz	SRHOPOUCEKPFPT-UHFFFAOYSA-N	-1	0	390.461	1.742	40	0		GDABRM
CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1cccc(F)c1	ZINC000224347246	136206830	/nfs/dbraw/zinc/20/68/30/136206830.db2.gz	QVXFGVAPVKRCAD-UHFFFAOYSA-N	-1	0	381.433	1.319	40	0		GDABRM
CCOC(=O)CSC1=NN[C@](C)(c2c([O-])c3ccccc3n(CC)c2=O)N1	ZINC000102474378	570289170	/nfs/dbraw/zinc/28/91/70/570289170.db2.gz	RRKRTZNAOQUVGB-GOSISDBHSA-N	-1	0	390.465	1.660	40	0		GDABRM
O=c1[n-]n(C/C=C/N2C(=O)c3ccccc3C2=O)c(=O)n1Cc1ccccc1	ZINC000005603742	570448761	/nfs/dbraw/zinc/44/87/61/570448761.db2.gz	QQAZFCTWIKZCCJ-IZZDOVSWSA-N	-1	0	376.372	1.196	40	0		GDABRM
O=C([O-])CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2C1=O)[C@@H]1Sc2[nH]c(=O)sc2C=C31	ZINC000006606236	570484365	/nfs/dbraw/zinc/48/43/65/570484365.db2.gz	UYCJPKURVIQLEP-RBXOJCKZSA-N	-1	0	392.458	1.410	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000225751317	570613275	/nfs/dbraw/zinc/61/32/75/570613275.db2.gz	GXZSEMACUPRTAQ-NEBZKDRISA-N	-1	0	396.490	1.104	40	0		GDABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](CN2NNc3ccccc3C2=O)CC1	ZINC000103463303	570725374	/nfs/dbraw/zinc/72/53/74/570725374.db2.gz	NYDOLNFQRLNSAH-VBQJREDUSA-N	-1	0	386.452	1.856	40	0		GDABRM
COc1ccc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)c(OC)c1	ZINC000328955330	571046804	/nfs/dbraw/zinc/04/68/04/571046804.db2.gz	ABUGEIAGOJTRIJ-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
Cc1nn(C)c(C)c1CCC(=O)Nc1cc(C(=O)[O-])cc(S(C)(=O)=O)c1	ZINC000262877371	602252322	/nfs/dbraw/zinc/25/23/22/602252322.db2.gz	YNHSJGZSZDWXOP-UHFFFAOYSA-N	-1	0	379.438	1.710	40	0		GDABRM
COCCCNC(=O)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000019593316	210274973	/nfs/dbraw/zinc/27/49/73/210274973.db2.gz	WAWLXJXXZTVSME-UHFFFAOYSA-N	-1	0	376.804	1.395	40	0		GDABRM
COc1cc(N2CCN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])nc(SC)n1	ZINC000079439852	136173015	/nfs/dbraw/zinc/17/30/15/136173015.db2.gz	IMXGWXNOTKUUHQ-SNVBAGLBSA-N	-1	0	384.458	1.717	40	0		GDABRM
CCOCCCNS(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(C(=O)[O-])c1	ZINC000217642541	570319859	/nfs/dbraw/zinc/31/98/59/570319859.db2.gz	QEUGRXFQSBUAMU-CYBMUJFWSA-N	-1	0	386.470	1.681	40	0		GDABRM
COc1ccc(C(=O)C2=NO[C@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000003848823	570351996	/nfs/dbraw/zinc/35/19/96/570351996.db2.gz	CLLMNRTZGYVVMF-WMLDXEAASA-N	-1	0	394.339	1.521	40	0		GDABRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(OCC(=O)N(C)C)cc2)c1	ZINC000223305604	570457698	/nfs/dbraw/zinc/45/76/98/570457698.db2.gz	BERPXQZVUQHFFN-UHFFFAOYSA-N	-1	0	394.449	1.972	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1	ZINC000224855274	570534645	/nfs/dbraw/zinc/53/46/45/570534645.db2.gz	YEOIIBQKJZCVTN-UHFFFAOYSA-N	-1	0	381.406	1.992	40	0		GDABRM
Cc1cc(=O)n2nc(CC(=O)NC3(c4ccc5c(c4)OCO5)CCCC3)[n-]c2n1	ZINC000012155572	570618571	/nfs/dbraw/zinc/61/85/71/570618571.db2.gz	LFPMSUADKUSWSV-UHFFFAOYSA-N	-1	0	395.419	1.995	40	0		GDABRM
C[C@@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@@H](C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-]	ZINC000100772276	570710539	/nfs/dbraw/zinc/71/05/39/570710539.db2.gz	XPSGQCLQFPTXGQ-SYQHCUMBSA-N	-1	0	399.488	1.412	40	0		GDABRM
CCn1cc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c(C(=O)NCC(C)C)n1	ZINC000017077357	570916820	/nfs/dbraw/zinc/91/68/20/570916820.db2.gz	OCGUGOBSTRYBOF-CRWXNKLISA-N	-1	0	378.429	1.106	40	0		GDABRM
COc1cc(OC)c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1Br	ZINC000408587417	231068899	/nfs/dbraw/zinc/06/88/99/231068899.db2.gz	BULZFTPFRGOPLW-RUDMXATFSA-N	-1	0	385.170	1.444	40	0		GDABRM
CC(C)c1ccc(S(=O)(=O)N(CC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1	ZINC000013030000	530558218	/nfs/dbraw/zinc/55/82/18/530558218.db2.gz	USRCKHXKSOMYHK-CYBMUJFWSA-N	-1	0	375.468	1.072	40	0		GDABRM
Cc1cc(SCC(=O)[O-])nc(CN(C)S(=O)(=O)c2ccc(F)cc2)n1	ZINC000049468984	530674027	/nfs/dbraw/zinc/67/40/27/530674027.db2.gz	JHGVJXWQDBJJQC-UHFFFAOYSA-N	-1	0	385.442	1.922	40	0		GDABRM
Cc1nc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)sc1C(=O)N(C)C	ZINC000223282345	531029188	/nfs/dbraw/zinc/02/91/88/531029188.db2.gz	VXTPJEWIQVYFTJ-UHFFFAOYSA-N	-1	0	382.467	1.361	40	0		GDABRM
CC1(C)CO[C@@H](c2ccccc2Cl)CN1CCS(=O)(=O)CC(=O)[O-]	ZINC000262311322	531116369	/nfs/dbraw/zinc/11/63/69/531116369.db2.gz	NXICPXCKQLYOPW-CQSZACIVSA-N	-1	0	375.874	1.991	40	0		GDABRM
Cc1cc(Br)c2c(c1)CN(CCS(=O)(=O)CC(=O)[O-])CC2	ZINC000263575476	531146084	/nfs/dbraw/zinc/14/60/84/531146084.db2.gz	PBUYJUVWYDPDTQ-UHFFFAOYSA-N	-1	0	376.272	1.615	40	0		GDABRM
CC[C@H](C)N([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425768	532013980	/nfs/dbraw/zinc/01/39/80/532013980.db2.gz	IONAGEKMJOTCAB-JSGCOSHPSA-N	-1	0	389.495	1.670	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2nccnc2-c2ccc(C(=O)[O-])cc2)C1	ZINC000257315416	212024735	/nfs/dbraw/zinc/02/47/35/212024735.db2.gz	VBFQPQFHQMJHKB-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cc1ccc(F)cc1NC(=O)CN1C[C@@H](O)[C@H](Oc2ccc(C(=O)[O-])cc2)C1	ZINC000257307500	212022745	/nfs/dbraw/zinc/02/27/45/212022745.db2.gz	SYWVLJBINWAGDC-QZTJIDSGSA-N	-1	0	388.395	1.895	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1cncc(-c2ccccc2C(=O)[O-])n1	ZINC000257300175	212019033	/nfs/dbraw/zinc/01/90/33/212019033.db2.gz	RTFBNAIIXCRBMR-MRXNPFEDSA-N	-1	0	376.438	1.785	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H]1c1cncc(-c2ccc(C(=O)[O-])cc2)n1	ZINC000257254872	212012177	/nfs/dbraw/zinc/01/21/77/212012177.db2.gz	KFANVYBMMBDGEV-MRXNPFEDSA-N	-1	0	376.438	1.785	40	0		GDABRM
CN(C[C@]1(O)CCN(c2cccc3nccn32)C1)C(=O)CC(C)(C)CC(=O)[O-]	ZINC000257200494	212002148	/nfs/dbraw/zinc/00/21/48/212002148.db2.gz	ADOIMOHFMZCJKA-HXUWFJFHSA-N	-1	0	388.468	1.625	40	0		GDABRM
COc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000100355435	211387064	/nfs/dbraw/zinc/38/70/64/211387064.db2.gz	CLLMNRTZGYVVMF-PBHICJAKSA-N	-1	0	394.339	1.521	40	0		GDABRM
Cc1nnc([N-]c2cc([C@@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1	ZINC000072360307	211101551	/nfs/dbraw/zinc/10/15/51/211101551.db2.gz	DWRCPAAJBVFRPZ-LBPRGKRZSA-N	-1	0	383.503	1.632	40	0		GDABRM
CC(C)Nc1nc(CN(Cc2ccccc2)S(C)(=O)=O)ncc1C(=O)[O-]	ZINC000049469556	210863472	/nfs/dbraw/zinc/86/34/72/210863472.db2.gz	CEUJQTXXZFPJGH-UHFFFAOYSA-N	-1	0	378.454	1.957	40	0		GDABRM
COCc1nn2c(nnc3c2ccn(CCC(=O)[O-])c3=O)c1-c1ccccc1	ZINC000040391228	210784228	/nfs/dbraw/zinc/78/42/28/210784228.db2.gz	IFNYCORGEJWXFH-UHFFFAOYSA-N	-1	0	379.376	1.727	40	0		GDABRM
CC(=O)NC1C(=O)N=C(SCC(=O)Nc2nnc(C(C)C)s2)N=C1[O-]	ZINC000020550479	210345751	/nfs/dbraw/zinc/34/57/51/210345751.db2.gz	FHZWDUOBCYMNMO-UHFFFAOYSA-N	-1	0	384.443	1.140	40	0		GDABRM
O=C1Nc2ccccc2/C1=C1/C(=O)[N-]C(=O)N(c2ccc3c(c2)OCO3)C1=O	ZINC000408846669	534802340	/nfs/dbraw/zinc/80/23/40/534802340.db2.gz	RJRSOAGFFQFHHG-CCEZHUSRSA-N	-1	0	377.312	1.404	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3ccccc3F)cc2NC1=O	ZINC000585281516	570248144	/nfs/dbraw/zinc/24/81/44/570248144.db2.gz	KSDQUMADNMHWTR-OAHLLOKOSA-N	-1	0	392.408	1.983	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3c(Cl)cnn3C)cc2NC1=O	ZINC000585281938	570248586	/nfs/dbraw/zinc/24/85/86/570248586.db2.gz	USWKHFFZTFWHFJ-NSHDSACASA-N	-1	0	398.828	1.302	40	0		GDABRM
COc1cc(Cl)ccc1S(=O)(=O)NC[C@H](C(=O)[O-])C1CCOCC1	ZINC000685938854	570396572	/nfs/dbraw/zinc/39/65/72/570396572.db2.gz	LVMQVXZGODZEKZ-LBPRGKRZSA-N	-1	0	377.846	1.754	40	0		GDABRM
CNC(=O)c1ccc(CS(=O)(=O)[N-]C(=O)C[C@@H]2OCc3ccccc32)cc1	ZINC000685938880	570398013	/nfs/dbraw/zinc/39/80/13/570398013.db2.gz	GTHTXZLMBNMBMY-KRWDZBQOSA-N	-1	0	388.445	1.654	40	0		GDABRM
O=C([O-])[C@H]1[C@@H](C(=O)N2CCN(Cc3ccccc3Cl)CC2)[C@H]2C=C[C@@H]1O2	ZINC000225784548	570617158	/nfs/dbraw/zinc/61/71/58/570617158.db2.gz	YUDXADLVTPJLBW-LTIDMASMSA-N	-1	0	376.840	1.638	40	0		GDABRM
O=C([O-])CN1CCCC[C@H](N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)C1=O	ZINC000643872904	570671918	/nfs/dbraw/zinc/67/19/18/570671918.db2.gz	MYFVIHISVOJUDU-INIZCTEOSA-N	-1	0	395.406	1.188	40	0		GDABRM
C[C@H](CC(=O)[O-])CC(=O)N1CCC(NS(=O)(=O)c2ccc(F)cc2)CC1	ZINC000656233042	570680018	/nfs/dbraw/zinc/68/00/18/570680018.db2.gz	YBUVPUQLXXYSQD-LBPRGKRZSA-N	-1	0	386.445	1.596	40	0		GDABRM
COc1ccc([C@H]2CCCN2S(=O)(=O)c2cnn(CC(=O)[O-])c2)c(OC)c1	ZINC000567805736	600695514	/nfs/dbraw/zinc/69/55/14/600695514.db2.gz	XCKPXXLHIKBOHN-OAHLLOKOSA-N	-1	0	395.437	1.511	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1	ZINC000570975887	601804310	/nfs/dbraw/zinc/80/43/10/601804310.db2.gz	LPYQCENMVQASKL-UHFFFAOYSA-N	-1	0	396.490	1.961	40	0		GDABRM
CC(C)(C)c1cc2nc(CNC(=O)C[C@H]3CCS(=O)(=O)C3)cc(=O)n2[n-]1	ZINC000019084252	210224673	/nfs/dbraw/zinc/22/46/73/210224673.db2.gz	FPISMZNCRPWUAG-LLVKDONJSA-N	-1	0	380.470	1.173	40	0		GDABRM
CCc1nc([O-])c(C(c2ccccc2O)C2C(=O)N=C(CC)NC2=O)c(=O)[nH]1	ZINC000016162515	210185858	/nfs/dbraw/zinc/18/58/58/210185858.db2.gz	MCRZBURMEINMOD-UHFFFAOYSA-N	-1	0	384.392	1.275	40	0		GDABRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)s1	ZINC000223531939	531029040	/nfs/dbraw/zinc/02/90/40/531029040.db2.gz	PSUKQAVUCYNNOT-UHFFFAOYSA-N	-1	0	388.496	1.819	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@H](C)COc2ccc(C)cc2)s1	ZINC000223596525	531029162	/nfs/dbraw/zinc/02/91/62/531029162.db2.gz	QNJGXSAQNBEVMD-LLVKDONJSA-N	-1	0	384.483	1.941	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2ccccc2OC)s1	ZINC000225811988	531031819	/nfs/dbraw/zinc/03/18/19/531031819.db2.gz	QFRKISURWXGHNG-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
Cc1nn(C[C@]2(C)Cc3c([nH]c(=O)[nH]c3=O)O2)c(C)c1-c1cc(C(=O)[O-])n[nH]1	ZINC000257335562	212027640	/nfs/dbraw/zinc/02/76/40/212027640.db2.gz	YKRZPRQTNBIRRC-KRWDZBQOSA-N	-1	0	386.368	1.183	40	0		GDABRM
Cc1cc(N2CCC[C@](O)(CN(C)C(=O)/C=C/C(=O)[O-])C2)c2cnccc2n1	ZINC000257285745	212017695	/nfs/dbraw/zinc/01/76/95/212017695.db2.gz	PIPKNPAPGZGUPH-SGSXCFNPSA-N	-1	0	384.436	1.369	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2cccc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257294899	212017363	/nfs/dbraw/zinc/01/73/63/212017363.db2.gz	QWEQKEKQHGZQPY-UHFFFAOYSA-N	-1	0	390.465	1.828	40	0		GDABRM
COc1ccc(Nc2cc(-c3cccnc3)nc(NCC(=O)[O-])n2)cc1OC	ZINC000329047778	209159001	/nfs/dbraw/zinc/15/90/01/209159001.db2.gz	UHLHXVRQCFTTRU-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
COc1ccc(C(=O)N2C[C@@H]3C[C@H]2C(=O)N(CC(=O)[O-])c2ccccc2O3)cc1	ZINC000096111626	211964427	/nfs/dbraw/zinc/96/44/27/211964427.db2.gz	QKLWQJVGSOQDPA-RDJZCZTQSA-N	-1	0	396.399	1.789	40	0	biogenic,in-vitro	GDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000223249003	211827653	/nfs/dbraw/zinc/82/76/53/211827653.db2.gz	FCSDLPDXNKJGMS-UHFFFAOYSA-N	-1	0	390.874	1.759	40	0		GDABRM
CC(C)[C@H](C(=O)[O-])N(C)C(=O)CCOCCOCCNC(=O)OC(C)(C)C	ZINC000083253949	211163525	/nfs/dbraw/zinc/16/35/25/211163525.db2.gz	BAUMYIUTKFDNTG-OAHLLOKOSA-N	-1	0	390.477	1.502	40	0		GDABRM
Cc1nc(COc2ccc(S(=O)(=O)N3CCCC3)cc2)ncc1C(=O)[O-]	ZINC000226105062	526908615	/nfs/dbraw/zinc/90/86/15/526908615.db2.gz	XNQDAMKJMZFGFO-UHFFFAOYSA-N	-1	0	377.422	1.847	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3cc(F)cc(F)c3)ccc21	ZINC000585273657	570242368	/nfs/dbraw/zinc/24/23/68/570242368.db2.gz	SXVVEKXQVFWPIQ-UHFFFAOYSA-N	-1	0	384.385	1.997	40	0		GDABRM
CCCNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O	ZINC000006879687	570383630	/nfs/dbraw/zinc/38/36/30/570383630.db2.gz	RJYSDTAGMCGUPC-JYRVWZFOSA-N	-1	0	378.406	1.713	40	0		GDABRM
Cc1nc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)sc1C(=O)N(C)C	ZINC000223282879	570455775	/nfs/dbraw/zinc/45/57/75/570455775.db2.gz	OMYCKEXAYADGQD-UHFFFAOYSA-N	-1	0	396.450	1.399	40	0		GDABRM
CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1	ZINC000008703383	570537591	/nfs/dbraw/zinc/53/75/91/570537591.db2.gz	LPQWILUJEBQNIT-INIZCTEOSA-N	-1	0	381.388	1.999	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)s1	ZINC000225354581	570566593	/nfs/dbraw/zinc/56/65/93/570566593.db2.gz	JPMHQJGIXCVXDT-UHFFFAOYSA-N	-1	0	397.482	1.635	40	0		GDABRM
CCc1c(C)[n-]n2c1nc([C@H]1CCN(C(=O)COC[C@@H]3CCCO3)C1)cc2=O	ZINC000012276424	570632517	/nfs/dbraw/zinc/63/25/17/570632517.db2.gz	FPSKWTMTACYZRV-GJZGRUSLSA-N	-1	0	388.468	1.817	40	0		GDABRM
CCc1ccc(CN2CCN([C@H]3CCCCN(CC(=O)[O-])C3=O)CC2)s1	ZINC000643874979	570671795	/nfs/dbraw/zinc/67/17/95/570671795.db2.gz	IAXTUAUTIHRUED-KRWDZBQOSA-N	-1	0	379.526	1.894	40	0		GDABRM
O=C(Cn1nc(-c2cccs2)ccc1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000101688114	570717120	/nfs/dbraw/zinc/71/71/20/570717120.db2.gz	MWUJWUHYGWEQSV-BETUJISGSA-N	-1	0	375.450	1.979	40	0		GDABRM
O=C([O-])[C@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000563280676	974526266	/nfs/dbraw/zinc/52/62/66/974526266.db2.gz	ZZPHWXMYOSAIPA-KRWDZBQOSA-N	-1	0	378.425	1.958	40	0		GDABRM
CCn1cc(S(=O)(=O)N[C@H](c2cc(=O)n3[n-]c(C)cc3n2)C(C)C)cn1	ZINC000019525099	210256380	/nfs/dbraw/zinc/25/63/80/210256380.db2.gz	UIENUNZATINNMV-INIZCTEOSA-N	-1	0	378.458	1.635	40	0		GDABRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(-c3nncn3C)c2)s1	ZINC000019022994	210223932	/nfs/dbraw/zinc/22/39/32/210223932.db2.gz	OLOHZABOJRERIG-UHFFFAOYSA-N	-1	0	378.439	1.698	40	0		GDABRM
Cc1ccc([C@@H]2C3SC(=O)N=C3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000016712689	210194974	/nfs/dbraw/zinc/19/49/74/210194974.db2.gz	NIYGOCRPJPNRPP-LOWVWBTDSA-N	-1	0	390.442	1.833	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCOC2CCCC2)s1	ZINC000223413069	531028945	/nfs/dbraw/zinc/02/89/45/531028945.db2.gz	HTJKWSCRPBSSLU-UHFFFAOYSA-N	-1	0	376.504	1.760	40	0		GDABRM
Cc1ccccc1OCC[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000225132629	531029929	/nfs/dbraw/zinc/02/99/29/531029929.db2.gz	BJSBGNFQOZCECS-UHFFFAOYSA-N	-1	0	384.483	1.798	40	0		GDABRM
CCOc1ccccc1CCC[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000224811157	531030098	/nfs/dbraw/zinc/03/00/98/531030098.db2.gz	IFASBAONUJZCDT-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
COc1cccc(OC)c1CNC(=O)c1sc([N-]S(C)(=O)=O)nc1C	ZINC000225875752	531031706	/nfs/dbraw/zinc/03/17/06/531031706.db2.gz	GPTMQXRTRGCZJI-UHFFFAOYSA-N	-1	0	385.467	1.770	40	0		GDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(I)cc2)[C@H]2C=C[C@@H]1O2	ZINC000136173597	531114245	/nfs/dbraw/zinc/11/42/45/531114245.db2.gz	FKOFLTTVBNVPTE-NOOOWODRSA-N	-1	0	385.157	1.884	40	0		GDABRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCN(CC(F)(F)F)C1	ZINC000324781904	532073762	/nfs/dbraw/zinc/07/37/62/532073762.db2.gz	BEXFIMFQWXKGCV-SECBINFHSA-N	-1	0	386.417	1.917	40	0		GDABRM
CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001576004	209333161	/nfs/dbraw/zinc/33/31/61/209333161.db2.gz	LYALYFZHXCPBAR-HOTGVXAUSA-N	-1	0	388.424	1.473	40	0		GDABRM
CCC(=O)N1CCN(c2ccc(N3C[C@@H](C(=O)[O-])CC3=O)cc2Cl)CC1	ZINC000057332469	209213553	/nfs/dbraw/zinc/21/35/53/209213553.db2.gz	CBHSFFCMSRSURN-LBPRGKRZSA-N	-1	0	379.844	1.836	40	0		GDABRM
CCCCCOC(=O)[N-]c1nc(=O)n([C@H]2O[C@@H](C)[C@H]3OC(=O)O[C@@H]32)cc1F	ZINC000098088306	212075985	/nfs/dbraw/zinc/07/59/85/212075985.db2.gz	VTAMAYSBXXKQPB-UKKREREHSA-N	-1	0	385.348	1.942	40	0		GDABRM
Cc1cc([O-])c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)[C@@H](O)OC3=O	ZINC000018028709	560094354	/nfs/dbraw/zinc/09/43/54/560094354.db2.gz	QQTKVXCQLZIJPP-SFHVURJKSA-N	-1	0	388.284	1.197	40	0	biogenic,in-vivo	GDABRM
CCOCCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NC[C@H]1CCCO1	ZINC000217508974	570317541	/nfs/dbraw/zinc/31/75/41/570317541.db2.gz	XGJBASQRMLHKRK-CQSZACIVSA-N	-1	0	386.470	1.681	40	0		GDABRM
COC[C@H](C)NS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCCOC(C)C	ZINC000217534011	570317893	/nfs/dbraw/zinc/31/78/93/570317893.db2.gz	OYKJBQMPQYMSGI-ZDUSSCGKSA-N	-1	0	388.486	1.925	40	0		GDABRM
C[C@H](Sc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1ccccc1Cl)C(=O)[O-]	ZINC000005295910	570433364	/nfs/dbraw/zinc/43/33/64/570433364.db2.gz	KYIGWBVWMSQHJU-QMMMGPOBSA-N	-1	0	394.840	1.690	40	0		GDABRM
Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccncc3)s2)cc1	ZINC000224683599	570524570	/nfs/dbraw/zinc/52/45/70/570524570.db2.gz	IMRUBRIFWCDBER-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2cccc(N3CCCC3=O)c2)s1	ZINC000225252513	570559231	/nfs/dbraw/zinc/55/92/31/570559231.db2.gz	FCPQYCVSOLTUFM-UHFFFAOYSA-N	-1	0	395.466	1.102	40	0		GDABRM
COCc1nn2c(nnc3c(=O)n(CC(=O)[O-])ccc32)c1-c1ccc(Cl)cc1	ZINC000040396148	570600749	/nfs/dbraw/zinc/60/07/49/570600749.db2.gz	FYLKXEPUJCZKFE-UHFFFAOYSA-N	-1	0	399.794	1.991	40	0		GDABRM
O=C(NC[C@H]1CCCO1)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000005059032	570658625	/nfs/dbraw/zinc/65/86/25/570658625.db2.gz	VILZAACEVTVIMZ-LLVKDONJSA-N	-1	0	388.815	1.537	40	0		GDABRM
O=C([O-])c1cc(=O)[nH]c(CCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1	ZINC000049470243	570663858	/nfs/dbraw/zinc/66/38/58/570663858.db2.gz	VUADQXXIPAKLOY-UHFFFAOYSA-N	-1	0	377.422	1.038	40	0		GDABRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCOC2)cc1Br	ZINC000574328431	651532907	/nfs/dbraw/zinc/53/29/07/651532907.db2.gz	SZYALMCTCSFJKJ-VIFPVBQESA-N	-1	0	378.244	1.852	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C)c(C)c2)s1	ZINC000223403999	531029182	/nfs/dbraw/zinc/02/91/82/531029182.db2.gz	HUJBYYZEVRYGNK-NSHDSACASA-N	-1	0	384.483	1.859	40	0		GDABRM
CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)cc1	ZINC000223673362	531029319	/nfs/dbraw/zinc/02/93/19/531029319.db2.gz	UMAJFLSOEOUHSX-UHFFFAOYSA-N	-1	0	382.463	1.593	40	0		GDABRM
CC(=O)Nc1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000225663034	531031170	/nfs/dbraw/zinc/03/11/70/531031170.db2.gz	BRZWGQIQXAIUJJ-UHFFFAOYSA-N	-1	0	383.455	1.892	40	0		GDABRM
O=C([O-])[C@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)N1C(=O)C=CC1=O	ZINC000002576360	209369962	/nfs/dbraw/zinc/36/99/62/209369962.db2.gz	INMNTWMKOGDRMG-INIZCTEOSA-N	-1	0	392.367	1.026	40	0	in-vitro	GDABRM
COC(=O)N1N[C@@H]([C@@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)SC1(C)C	ZINC000001593812	209334103	/nfs/dbraw/zinc/33/41/03/209334103.db2.gz	GMVCKJRSLHNPGN-WDEREUQCSA-N	-1	0	379.394	1.118	40	0		GDABRM
O=C(C=Cc1ccc(F)cc1)NC(=S)N[N-]S(=O)(=O)c1ccccc1	ZINC000004950573	212065108	/nfs/dbraw/zinc/06/51/08/212065108.db2.gz	BSGNUBDCZMKINI-DHZHZOJOSA-N	-1	0	379.438	1.723	40	0		GDABRM
Cc1ccc(F)cc1NC(=O)CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257312880	212022519	/nfs/dbraw/zinc/02/25/19/212022519.db2.gz	UQAFDHVIAFIGEO-QZTJIDSGSA-N	-1	0	388.395	1.895	40	0		GDABRM
COc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2)cc1N1CCOCC1	ZINC000257267009	212014391	/nfs/dbraw/zinc/01/43/91/212014391.db2.gz	MFOHHDVOCVIRLD-UHFFFAOYSA-N	-1	0	394.424	1.790	40	0		GDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1nnc(NC(=O)C(C)C)s1	ZINC000223616274	211838760	/nfs/dbraw/zinc/83/87/60/211838760.db2.gz	XZFJRSIYLZTLAW-UHFFFAOYSA-N	-1	0	384.439	1.720	40	0		GDABRM
O=C([O-])CN1C(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccs3)[C@H]2C1=O	ZINC000101174872	211397085	/nfs/dbraw/zinc/39/70/85/211397085.db2.gz	AZCYYLDNXVAUQI-QXFUBDJGSA-N	-1	0	382.444	1.174	40	0		GDABRM
O=c1[nH]c(N2CCCC2)nc2c1CN(Cc1nnnn1Cc1cccs1)CC2	ZINC000072389391	211107384	/nfs/dbraw/zinc/10/73/84/211107384.db2.gz	JYXHRNSTTSJUFD-UHFFFAOYSA-N	-1	0	398.496	1.025	40	0		GDABRM
Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)[N-]c1cccc(F)c1	ZINC000021010316	210374207	/nfs/dbraw/zinc/37/42/07/210374207.db2.gz	RCVIGOYVLAOWMR-CQSZACIVSA-N	-1	0	387.458	1.799	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3ccc(F)cc3)cc2NC1=O	ZINC000585280914	570249319	/nfs/dbraw/zinc/24/93/19/570249319.db2.gz	CMOPRPLLKVYCIL-OAHLLOKOSA-N	-1	0	392.408	1.983	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3ccc(F)cc3)cc2NC1=O	ZINC000585280913	570249372	/nfs/dbraw/zinc/24/93/72/570249372.db2.gz	CMOPRPLLKVYCIL-HNNXBMFYSA-N	-1	0	392.408	1.983	40	0		GDABRM
COc1cc(Cl)ccc1S(=O)(=O)NC[C@@H](C(=O)[O-])C1CCOCC1	ZINC000685938853	570396580	/nfs/dbraw/zinc/39/65/80/570396580.db2.gz	LVMQVXZGODZEKZ-GFCCVEGCSA-N	-1	0	377.846	1.754	40	0		GDABRM
CC(C)[C@@H](NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000041058355	570614887	/nfs/dbraw/zinc/61/48/87/570614887.db2.gz	ZFERFIDJVFWNJK-HUUCEWRRSA-N	-1	0	386.445	1.594	40	0		GDABRM
COC(=O)CSc1nn2c([n-]1)nc(CSc1nc(C)cc(C)n1)cc2=O	ZINC000009935999	570778034	/nfs/dbraw/zinc/77/80/34/570778034.db2.gz	NXRAQDFERXETCG-UHFFFAOYSA-N	-1	0	392.466	1.382	40	0		GDABRM
COc1cccc(OC(F)(F)F)c1S(=O)(=O)N1CCO[C@@H](C(=O)[O-])C1	ZINC000530139311	649965322	/nfs/dbraw/zinc/96/53/22/649965322.db2.gz	YECSROPHGNLIMV-SNVBAGLBSA-N	-1	0	385.316	1.068	40	0		GDABRM
CC(=O)N1CCc2ccc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)cc2CC1	ZINC000285283631	962881692	/nfs/dbraw/zinc/88/16/92/962881692.db2.gz	WUSPLTSAVCWHFG-UHFFFAOYSA-N	-1	0	382.482	1.365	40	0		GDABRM
NS(=O)(=O)c1ccc(CNC(=S)N[C@@H](C(=O)[O-])c2ccccc2)cc1	ZINC000006530136	530541521	/nfs/dbraw/zinc/54/15/21/530541521.db2.gz	IFBQXVBHXOPDRT-CQSZACIVSA-N	-1	0	379.463	1.124	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccccc1I	ZINC000007077446	530544432	/nfs/dbraw/zinc/54/44/32/530544432.db2.gz	HAQIGTBNXIJVGQ-KXNHARMFSA-N	-1	0	385.157	1.884	40	0		GDABRM
COc1ccc(CC[N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000223579033	531029245	/nfs/dbraw/zinc/02/92/45/531029245.db2.gz	NOCRZVJNDRTRPT-UHFFFAOYSA-N	-1	0	384.483	1.662	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccc(F)cc2)s1	ZINC000225192545	531029964	/nfs/dbraw/zinc/02/99/64/531029964.db2.gz	PRQHXFDUJKWOJD-UHFFFAOYSA-N	-1	0	388.446	1.629	40	0		GDABRM
CCSc1nnc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)s1	ZINC000224673324	531030202	/nfs/dbraw/zinc/03/02/02/531030202.db2.gz	SZYIEYULNGFOTL-UHFFFAOYSA-N	-1	0	379.510	1.854	40	0		GDABRM
CC(C)[C@@H](NS(=O)(=O)c1cc2c(cc1Br)OCCO2)C(=O)[O-]	ZINC000261676460	531096200	/nfs/dbraw/zinc/09/62/00/531096200.db2.gz	LBXOCUALNNNWBO-GFCCVEGCSA-N	-1	0	394.243	1.608	40	0		GDABRM
C[C@@H](C(=O)[O-])[C@H](NC(=O)c1nn(CC2CCCCC2)c2ccccc21)C(N)=O	ZINC000299817124	212040691	/nfs/dbraw/zinc/04/06/91/212040691.db2.gz	DQRRHTCQQGYUSD-WBMJQRKESA-N	-1	0	386.452	1.921	40	0	in-vitro	GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc(C2CCN(S(C)(=O)=O)CC2)n1	ZINC000257249071	212010589	/nfs/dbraw/zinc/01/05/89/212010589.db2.gz	JGPLCJNUXYJCCV-UHFFFAOYSA-N	-1	0	376.438	1.684	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)NC[C@]1(O)CCN(c2ccnc3cccnc32)C1	ZINC000257249873	212010066	/nfs/dbraw/zinc/01/00/66/212010066.db2.gz	JKCJTBCXDUXFJM-HXUWFJFHSA-N	-1	0	386.452	1.578	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cncc(-c2cncc(C(=O)[O-])c2)n1	ZINC000257234168	212008967	/nfs/dbraw/zinc/00/89/67/212008967.db2.gz	GSLKCCABHQJPKJ-HNNXBMFYSA-N	-1	0	377.426	1.180	40	0		GDABRM
CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(N)=O)cc1	ZINC000223300196	211827231	/nfs/dbraw/zinc/82/72/31/211827231.db2.gz	PTIBOHWBFDUFSL-UHFFFAOYSA-N	-1	0	378.406	1.528	40	0		GDABRM
O=C([O-])CN1C(=O)[C@H]2Sc3[nH]c(=O)sc3[C@@H](c3cccs3)[C@H]2C1=O	ZINC000101174876	211396428	/nfs/dbraw/zinc/39/64/28/211396428.db2.gz	AZCYYLDNXVAUQI-XKSSXDPKSA-N	-1	0	382.444	1.174	40	0		GDABRM
Cc1nonc1CC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CCCC4)C1	ZINC000100138537	211383365	/nfs/dbraw/zinc/38/33/65/211383365.db2.gz	RGGWPEWKNSXSOC-CYBMUJFWSA-N	-1	0	396.451	1.954	40	0		GDABRM
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)[O-])c(OC)c2)C1=O	ZINC000409104769	533199517	/nfs/dbraw/zinc/19/95/17/533199517.db2.gz	IAFVEEOFIPFPIA-PBJWJZLWSA-N	-1	0	395.389	1.756	40	0		GDABRM
O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCN(c4ccccc4)CC3)C2=O)c1	ZINC000011177309	221112020	/nfs/dbraw/zinc/11/20/20/221112020.db2.gz	KCNFJWUYEGJPTG-SFHVURJKSA-N	-1	0	379.416	1.839	40	0		GDABRM
Cc1noc(C)c1CCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585271401	570239619	/nfs/dbraw/zinc/23/96/19/570239619.db2.gz	HSFHODQDSVTUIZ-UHFFFAOYSA-N	-1	0	379.394	1.060	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)Cc3ccc(F)c(F)c3)ccc21	ZINC000585271056	570239760	/nfs/dbraw/zinc/23/97/60/570239760.db2.gz	GFMMOLQQZYZZQW-UHFFFAOYSA-N	-1	0	398.412	1.926	40	0		GDABRM
Cc1nc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C(C)C)O3)co1	ZINC000585281671	570248160	/nfs/dbraw/zinc/24/81/60/570248160.db2.gz	ORJRKBJRQZBRRW-OAHLLOKOSA-N	-1	0	393.421	1.766	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3ccnc(C)n3)cc2NC1=O	ZINC000585281061	570249306	/nfs/dbraw/zinc/24/93/06/570249306.db2.gz	DPVUPQAQZQSVJS-ZDUSSCGKSA-N	-1	0	376.394	1.013	40	0		GDABRM
CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](CC)O3)no1	ZINC000585280768	570249313	/nfs/dbraw/zinc/24/93/13/570249313.db2.gz	AKSJSLJREYGDHN-CQSZACIVSA-N	-1	0	393.421	1.855	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncnc3C)cc2NC1=O	ZINC000585280882	570249316	/nfs/dbraw/zinc/24/93/16/570249316.db2.gz	BHXWEMWEBURCBQ-CYBMUJFWSA-N	-1	0	376.394	1.013	40	0		GDABRM
COC[C@H](C)Nc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)[O-]	ZINC000217647616	570319960	/nfs/dbraw/zinc/31/99/60/570319960.db2.gz	HNTGFNBDIMLRFG-ZDUSSCGKSA-N	-1	0	388.486	1.925	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1	ZINC000223672953	570477992	/nfs/dbraw/zinc/47/79/92/570477992.db2.gz	SZAKJLQRAVQXHY-UHFFFAOYSA-N	-1	0	398.462	1.259	40	0		GDABRM
C[C@H](NC(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(S(C)(=O)=O)cc1	ZINC000052971174	570673592	/nfs/dbraw/zinc/67/35/92/570673592.db2.gz	JTSDOOPWZSRZLV-LBPRGKRZSA-N	-1	0	396.490	1.953	40	0		GDABRM
COc1ccccc1NC(=O)CN1C(=O)S[C@H]([C@H]2SC(=O)[N-]C2=O)C1=O	ZINC000065090502	570757748	/nfs/dbraw/zinc/75/77/48/570757748.db2.gz	MTDITGNPUJYNMH-GHMZBOCLSA-N	-1	0	395.418	1.049	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000017081046	570918932	/nfs/dbraw/zinc/91/89/32/570918932.db2.gz	GXZSEMACUPRTAQ-DHMWGJHJSA-N	-1	0	396.490	1.104	40	0		GDABRM
O=C([O-])C1CCN(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1	ZINC000548220320	570947764	/nfs/dbraw/zinc/94/77/64/570947764.db2.gz	BMBDLGTXOZDEDI-UHFFFAOYSA-N	-1	0	399.444	1.049	40	0		GDABRM
O=C(Cc1ccccn1)N1CCC[C@@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375651	210245361	/nfs/dbraw/zinc/24/53/61/210245361.db2.gz	GFRONZXGCAYDSX-CQSZACIVSA-N	-1	0	384.461	1.885	40	0		GDABRM
CCOc1ccc(N2C(=O)C[C@@H](SC[C@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000016899839	210198603	/nfs/dbraw/zinc/19/86/03/210198603.db2.gz	CZMOXSLQDAJCMH-UONOGXRCSA-N	-1	0	380.422	1.040	40	0		GDABRM
CN1C(=O)SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(Cl)cc3)c2O)C1=O	ZINC000408807666	530046374	/nfs/dbraw/zinc/04/63/74/530046374.db2.gz	DSQCXQMKCJSOFZ-LKJZUNMESA-N	-1	0	395.849	1.913	40	0		GDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]Cc2ccncc2)s1)c1ccccc1	ZINC000224367536	531028829	/nfs/dbraw/zinc/02/88/29/531028829.db2.gz	BPRRCJQASRMIKW-UHFFFAOYSA-N	-1	0	375.435	1.664	40	0		GDABRM
NS(=O)(=O)c1ccc(N2CCC[C@@H](OCC(F)(F)F)C2)c(C(=O)[O-])c1	ZINC000584055653	531609438	/nfs/dbraw/zinc/60/94/38/531609438.db2.gz	LXVPNOHKEASSTG-SECBINFHSA-N	-1	0	382.360	1.580	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])[C@@H]2CCS(=O)(=O)C2)cc1C	ZINC000575423780	532013839	/nfs/dbraw/zinc/01/38/39/532013839.db2.gz	REXYZBSZLYIDJD-CQSZACIVSA-N	-1	0	389.495	1.346	40	0		GDABRM
CC[C@@H]1[C@@H](C(=O)[O-])CCN1S(=O)(=O)c1cc(S(C)(=O)=O)ccc1C	ZINC000287415934	532214239	/nfs/dbraw/zinc/21/42/39/532214239.db2.gz	FQHHTWDDLUJLCR-QWHCGFSZSA-N	-1	0	375.468	1.272	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC(c2ccnc(-c3cncc(C(=O)[O-])c3)c2)CC1	ZINC000257248140	212010434	/nfs/dbraw/zinc/01/04/34/212010434.db2.gz	JCGVGWFOOIRTPS-UHFFFAOYSA-N	-1	0	390.465	1.828	40	0		GDABRM
COCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1ccccc1	ZINC000217482535	211749678	/nfs/dbraw/zinc/74/96/78/211749678.db2.gz	SLEXJHSRKWIVNP-UHFFFAOYSA-N	-1	0	378.450	1.964	40	0		GDABRM
CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2	ZINC000096157062	211314434	/nfs/dbraw/zinc/31/44/34/211314434.db2.gz	HHZZNSCFQPBKKA-GOSISDBHSA-N	-1	0	396.447	1.800	40	0		GDABRM
CN(C)S(=O)(=O)N(CC(=O)Nc1ccc(C(=O)[O-])cc1)c1ccc(F)cc1	ZINC000020245445	210324112	/nfs/dbraw/zinc/32/41/12/210324112.db2.gz	RYBIWSGLEJZZTB-UHFFFAOYSA-N	-1	0	395.412	1.775	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2nc(-c3ccccc3)no2)s1	ZINC000225150098	527106520	/nfs/dbraw/zinc/10/65/20/527106520.db2.gz	ISSSEIFILAHBCO-UHFFFAOYSA-N	-1	0	380.411	1.025	40	0		GDABRM
Cc1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)s1	ZINC000585272479	570242534	/nfs/dbraw/zinc/24/25/34/570242534.db2.gz	NXAHDXCLLGTSAN-UHFFFAOYSA-N	-1	0	383.476	1.792	40	0		GDABRM
CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3(C(=O)[O-])CCC3)CC2)cc1	ZINC000663107525	570248762	/nfs/dbraw/zinc/24/87/62/570248762.db2.gz	JXONGVLRLUDLDQ-UHFFFAOYSA-N	-1	0	394.493	1.820	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncc(C)c3)cc2NC1=O	ZINC000585282248	570250042	/nfs/dbraw/zinc/25/00/42/570250042.db2.gz	ZYPOTGNHPHTWHM-CQSZACIVSA-N	-1	0	375.406	1.618	40	0		GDABRM
Cc1ccccc1NC(=O)C(=O)C=C([O-])c1c(C)[n+]([O-])c2ccccc2[n+]1[O-]	ZINC000102964575	570293418	/nfs/dbraw/zinc/29/34/18/570293418.db2.gz	ZHRXTRYEPZZNGQ-UHFFFAOYSA-N	-1	0	379.372	1.504	40	0		GDABRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc(F)c2)cc1	ZINC000408618581	570365176	/nfs/dbraw/zinc/36/51/76/570365176.db2.gz	DLSYLKBUIVTPLE-UHFFFAOYSA-N	-1	0	395.437	1.777	40	0		GDABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3ccncc3)s2)c1	ZINC000223154565	570447164	/nfs/dbraw/zinc/44/71/64/570447164.db2.gz	QOLGPIAYTRGGCU-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc3c(c2)OCO3)cc1OC	ZINC000224803715	570531300	/nfs/dbraw/zinc/53/13/00/570531300.db2.gz	CWVPTPJCRATDTA-UHFFFAOYSA-N	-1	0	395.389	1.712	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000225751293	570613270	/nfs/dbraw/zinc/61/32/70/570613270.db2.gz	GXZSEMACUPRTAQ-MYZSUADSSA-N	-1	0	396.490	1.104	40	0		GDABRM
Cc1nonc1CC(=O)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CCCC3	ZINC000012337038	570644602	/nfs/dbraw/zinc/64/46/02/570644602.db2.gz	JTBYLQINHCZWCV-INIZCTEOSA-N	-1	0	382.424	1.911	40	0		GDABRM
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@@H]1CC[C@@H](C(=O)N[C@@H](C)C(=O)[O-])CC1	ZINC000100773730	570710557	/nfs/dbraw/zinc/71/05/57/570710557.db2.gz	XPSGQCLQFPTXGQ-RQJABVFESA-N	-1	0	399.488	1.412	40	0		GDABRM
COc1ccc(-n2[n-]c3[nH]c(CSc4nncn4C)cc(=O)c3c2=O)cc1	ZINC000017078429	570917673	/nfs/dbraw/zinc/91/76/73/570917673.db2.gz	HPQFMJHVSVHJQI-UHFFFAOYSA-N	-1	0	384.421	1.437	40	0		GDABRM
Cc1sc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(C(N)=O)ccc21	ZINC000548477275	650547207	/nfs/dbraw/zinc/54/72/07/650547207.db2.gz	BLVLFOOPVMBFIB-UHFFFAOYSA-N	-1	0	380.447	1.995	40	0		GDABRM
COc1ccc(S(=O)(=O)N[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)c(CC(=O)[O-])c1	ZINC000578765114	974861314	/nfs/dbraw/zinc/86/13/14/974861314.db2.gz	HJBIDHNPEKOEPF-XKQJLSEDSA-N	-1	0	383.466	1.804	40	0		GDABRM
CCNC(=O)c1cc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c(C)s1	ZINC000006680118	530542369	/nfs/dbraw/zinc/54/23/69/530542369.db2.gz	SJOMMJFCCCTXFF-UHFFFAOYSA-N	-1	0	382.463	1.983	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2)s1	ZINC000223896278	531029262	/nfs/dbraw/zinc/02/92/62/531029262.db2.gz	UMKSPATXMDVASF-NSHDSACASA-N	-1	0	384.483	1.878	40	0		GDABRM
CCOC(=O)c1ccc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)cc1	ZINC000225769299	531031830	/nfs/dbraw/zinc/03/18/30/531031830.db2.gz	OVSLFWBYKDSTQZ-UHFFFAOYSA-N	-1	0	384.439	1.864	40	0		GDABRM
CCOC(=O)N[C@H](c1ccc(OC)c(OC)c1)[P@](=O)([O-])Nc1nc[nH]n1	ZINC000001590132	209334029	/nfs/dbraw/zinc/33/40/29/209334029.db2.gz	AHYRFNKJTVJWTB-LBPRGKRZSA-N	-1	0	385.317	1.864	40	0		GDABRM
CNC(=O)[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCN1C(C)=O	ZINC000257344906	212027480	/nfs/dbraw/zinc/02/74/80/212027480.db2.gz	ZZDPKRUUYDZMEP-QGZVFWFLSA-N	-1	0	385.420	1.424	40	0		GDABRM
C[C@]12C[C@@H](c3ccccc3)C[C@](CO)(CC[C@@H](NC(=O)CCC(=O)[O-])[C@@H]1O)O2	ZINC000257328509	212026443	/nfs/dbraw/zinc/02/64/43/212026443.db2.gz	XFXOVQZDFWVNKV-QANQIFJLSA-N	-1	0	391.464	1.575	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257299202	212020250	/nfs/dbraw/zinc/02/02/50/212020250.db2.gz	RPCUQHSQFGGMGV-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CC(C)(CC(=O)[O-])CC(=O)NC[C@@]1(O)CCN(c2ccnc3cccnc32)C1	ZINC000257249872	212010856	/nfs/dbraw/zinc/01/08/56/212010856.db2.gz	JKCJTBCXDUXFJM-FQEVSTJZSA-N	-1	0	386.452	1.578	40	0		GDABRM
CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1ccc(OCC(=O)[O-])c(OCC)c1	ZINC000408987847	528617054	/nfs/dbraw/zinc/61/70/54/528617054.db2.gz	ZCQOGNSIAGRPPT-INIZCTEOSA-N	-1	0	394.449	1.905	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3cccc(F)c3)cc2NC1=O	ZINC000585281460	570249756	/nfs/dbraw/zinc/24/97/56/570249756.db2.gz	JOYXDOCJBMWTNL-HNNXBMFYSA-N	-1	0	392.408	1.983	40	0		GDABRM
Cc1ccc(NC(=O)C(=O)C=C([O-])c2c(C)[n+]([O-])c3ccccc3[n+]2[O-])cc1	ZINC000103015187	570294091	/nfs/dbraw/zinc/29/40/91/570294091.db2.gz	PUQRCJXHWPCFHY-UHFFFAOYSA-N	-1	0	379.372	1.504	40	0		GDABRM
O=C([O-])CCCCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccccc1	ZINC000575423656	570309226	/nfs/dbraw/zinc/30/92/26/570309226.db2.gz	PPDGIRWNTOMASY-AWEZNQCLSA-N	-1	0	389.495	1.509	40	0		GDABRM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12	ZINC000136482677	570473571	/nfs/dbraw/zinc/47/35/71/570473571.db2.gz	IZAYJNCKDMBXTP-BBWFWOEESA-N	-1	0	381.432	1.673	40	0		GDABRM
CS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(C(=O)[O-])cc2)Oc2ccccc21	ZINC000038756119	570582570	/nfs/dbraw/zinc/58/25/70/570582570.db2.gz	VXLXEQDQHBOYRP-HNNXBMFYSA-N	-1	0	376.390	1.551	40	0		GDABRM
Cc1nonc1CC(=O)N1CC[C@H](c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)C1	ZINC000012748181	570709234	/nfs/dbraw/zinc/70/92/34/570709234.db2.gz	MEDIONFNAKQUQF-LBPRGKRZSA-N	-1	0	384.440	1.982	40	0		GDABRM
COc1cccc(-c2ccc(=O)n(CC(=O)NC[C@H]3CC[C@H](C(=O)[O-])CC3)n2)c1	ZINC000101678133	570716924	/nfs/dbraw/zinc/71/69/24/570716924.db2.gz	IHZVLNPERQIJQC-GASCZTMLSA-N	-1	0	399.447	1.926	40	0		GDABRM
Cc1ccc([C@@H]2C3SC(=O)N=C3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@H]32)cc1	ZINC000137753699	570741804	/nfs/dbraw/zinc/74/18/04/570741804.db2.gz	NIYGOCRPJPNRPP-GMXVVIOVSA-N	-1	0	390.442	1.833	40	0		GDABRM
CCN(Cc1ncc(CC(=O)[O-])c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000049468659	530673928	/nfs/dbraw/zinc/67/39/28/530673928.db2.gz	ADUMTNNBHRSJOF-UHFFFAOYSA-N	-1	0	385.829	1.261	40	0		GDABRM
Cc1ccccc1NC(=O)CN1C(=O)S[C@H]([C@H]2SC(=O)[N-]C2=O)C1=O	ZINC000065090481	530752971	/nfs/dbraw/zinc/75/29/71/530752971.db2.gz	WRBDKOTZKFYJJT-GHMZBOCLSA-N	-1	0	379.419	1.349	40	0		GDABRM
CCOCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2C)s1	ZINC000224204077	531029123	/nfs/dbraw/zinc/02/91/23/531029123.db2.gz	DVBKHOSOHFTFGS-UHFFFAOYSA-N	-1	0	384.483	1.804	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccc(C)cc2)s1	ZINC000223596470	531029338	/nfs/dbraw/zinc/02/93/38/531029338.db2.gz	QNJGXSAQNBEVMD-NSHDSACASA-N	-1	0	384.483	1.941	40	0		GDABRM
CCc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCC(CS(C)(=O)=O)CC1	ZINC000291853637	531318248	/nfs/dbraw/zinc/31/82/48/531318248.db2.gz	FYBGIMPHQQDKDC-UHFFFAOYSA-N	-1	0	389.495	1.393	40	0		GDABRM
COC[C@@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(Br)c1	ZINC000647927144	531905274	/nfs/dbraw/zinc/90/52/74/531905274.db2.gz	BHQCNHSEFNBAFF-CYBMUJFWSA-N	-1	0	378.244	1.703	40	0		GDABRM
Cc1ccc(C)c(S(=O)(=O)N(CCCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)c1	ZINC000575425535	532014042	/nfs/dbraw/zinc/01/40/42/532014042.db2.gz	ZQINBTPWJYSGLT-AWEZNQCLSA-N	-1	0	389.495	1.346	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccc(C(=O)[O-])cc3)ncn2)C1	ZINC000257305621	212022259	/nfs/dbraw/zinc/02/22/59/212022259.db2.gz	SQUXDUZWNISPLJ-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cncc(-c3ccccc3C(=O)[O-])n2)C1	ZINC000257292778	212017454	/nfs/dbraw/zinc/01/74/54/212017454.db2.gz	QMYAPDZEJPFIGH-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
O=C([O-])COc1cccc(C(=O)N2C[C@H](O)[C@H](Cc3cn4cccc4cn3)C2)c1	ZINC000257261000	212012841	/nfs/dbraw/zinc/01/28/41/212012841.db2.gz	LFJGAZOFNOYPJZ-BEFAXECRSA-N	-1	0	395.415	1.473	40	0		GDABRM
O=C([O-])COCC(=O)N1C[C@@H](c2ccccc2F)[C@]2(C1)CCCCC(=O)N2	ZINC000257217567	212005884	/nfs/dbraw/zinc/00/58/84/212005884.db2.gz	CZNSEDQOTIZCSV-IFXJQAMLSA-N	-1	0	378.400	1.282	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cc(-c3ccccc3C(=O)[O-])ncn2)C1	ZINC000257211263	212003963	/nfs/dbraw/zinc/00/39/63/212003963.db2.gz	BYELKHJYDUIOBW-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000257213233	212002975	/nfs/dbraw/zinc/00/29/75/212002975.db2.gz	CGSBCRHEGJQCLJ-OAHLLOKOSA-N	-1	0	391.453	1.489	40	0		GDABRM
CC(=O)N[C@H](CS[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-]	ZINC000101273606	211396781	/nfs/dbraw/zinc/39/67/81/211396781.db2.gz	MGSWFKKAGHYQEN-KGLIPLIRSA-N	-1	0	378.450	1.566	40	0		GDABRM
Cc1ccc(C(=O)C2=NO[C@@H]3C(=O)N(c4ccc(C(=O)[O-])cc4)C(O)=C23)cc1	ZINC000100354720	211385894	/nfs/dbraw/zinc/38/58/94/211385894.db2.gz	XVYGLIKZZZCIQR-PBHICJAKSA-N	-1	0	378.340	1.820	40	0		GDABRM
Cc1[n-]n2c(nc3c(c2=O)CN(C(=O)CN2CCOCC2)C3)c1-c1ccccc1	ZINC000100215280	211383800	/nfs/dbraw/zinc/38/38/00/211383800.db2.gz	DQEMEOQDORAAKF-UHFFFAOYSA-N	-1	0	393.447	1.585	40	0		GDABRM
O=C([O-])[C@H]1NCCN(C(=O)OCc2ccccc2)[C@@H]1C(=O)OCc1ccccc1	ZINC000066348443	211001720	/nfs/dbraw/zinc/00/17/20/211001720.db2.gz	LBABDCBWBCYJSH-ROUUACIJSA-N	-1	0	398.415	1.794	40	0		GDABRM
COCCCNc1ccc(S(=O)(=O)NCCCOC(C)C)cc1C(=O)[O-]	ZINC000217645480	570319852	/nfs/dbraw/zinc/31/98/52/570319852.db2.gz	TYPKIRHZMSOOKZ-UHFFFAOYSA-N	-1	0	388.486	1.927	40	0		GDABRM
COC[C@@H](C)NS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1	ZINC000217667775	570320325	/nfs/dbraw/zinc/32/03/25/570320325.db2.gz	YEAPUDMNPASWKC-CYBMUJFWSA-N	-1	0	388.486	1.925	40	0		GDABRM
COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@@H](OC)[C@@H]2CCOC2)cc1OC	ZINC000685938898	570398103	/nfs/dbraw/zinc/39/81/03/570398103.db2.gz	PLFBCJPYZRYVKF-OTYXRUKQSA-N	-1	0	393.845	1.214	40	0		GDABRM
Cc1ccc(S(=O)(=O)N2CCC(c3ncc(C(=O)[O-])c(=O)[nH]3)CC2)cc1	ZINC000224968393	570540500	/nfs/dbraw/zinc/54/05/00/570540500.db2.gz	NHTRAXAZFMPECH-UHFFFAOYSA-N	-1	0	377.422	1.345	40	0		GDABRM
COc1cc(-c2ncc(C(=O)[O-])c(N3CCOCC3)n2)cc(OC)c1OC	ZINC000035981448	570559323	/nfs/dbraw/zinc/55/93/23/570559323.db2.gz	GUKBNFXQZNKXOO-UHFFFAOYSA-N	-1	0	375.381	1.704	40	0		GDABRM
O=C([O-])[C@@H]1CCCN1C(=O)[C@H]1CC[C@H](Cn2c(=O)[nH]c3ccccc3c2=O)CC1	ZINC000103463327	570725564	/nfs/dbraw/zinc/72/55/64/570725564.db2.gz	UWACIRVCEMTNJJ-VBQJREDUSA-N	-1	0	399.447	1.572	40	0		GDABRM
O=C([O-])CCCN1C(=O)[C@H]2[C@H]3C[C@H](C4=Cc5sc(=O)[nH]c5S[C@H]43)[C@@H]2C1=O	ZINC000012414149	570806828	/nfs/dbraw/zinc/80/68/28/570806828.db2.gz	UYCJPKURVIQLEP-FRDBJBGDSA-N	-1	0	392.458	1.410	40	0		GDABRM
CCOCCCNC(=O)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[n-]1	ZINC000013086429	570821410	/nfs/dbraw/zinc/82/14/10/570821410.db2.gz	CNMBHISDJPTBKZ-UHFFFAOYSA-N	-1	0	390.831	1.785	40	0		GDABRM
O=C([O-])[C@@H](c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000563280677	974526020	/nfs/dbraw/zinc/52/60/20/974526020.db2.gz	ZZPHWXMYOSAIPA-QGZVFWFLSA-N	-1	0	378.425	1.958	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]c2ncc(C(=O)NC[C@H]3CCCO3)cn2)cc1	ZINC000408535157	231053778	/nfs/dbraw/zinc/05/37/78/231053778.db2.gz	YCUULFIENJZMDZ-CQSZACIVSA-N	-1	0	376.438	1.495	40	0		GDABRM
Cc1cc2nc([C@H](NS(=O)(=O)c3cnn(C)c3C)C(C)C)cc(=O)n2[n-]1	ZINC000019129592	210227256	/nfs/dbraw/zinc/22/72/56/210227256.db2.gz	WCHHTCRLGVJZSZ-MRXNPFEDSA-N	-1	0	378.458	1.461	40	0		GDABRM
COC(=O)c1nc(NC#N)[n-]c(=O)c1CCCCCc1cnc(NC#N)nc1	ZINC000016952834	210200185	/nfs/dbraw/zinc/20/01/85/210200185.db2.gz	KRPXFJUCQRYASF-UHFFFAOYSA-N	-1	0	382.384	1.500	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCc2ccc(S(N)(=O)=O)cc2)cc1	ZINC000005415850	530539869	/nfs/dbraw/zinc/53/98/69/530539869.db2.gz	VSGZWBXHZUQQGQ-UHFFFAOYSA-N	-1	0	384.435	1.258	40	0		GDABRM
CC(C)c1ccc(S(=O)(=O)N(CC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1	ZINC000013030003	530558415	/nfs/dbraw/zinc/55/84/15/530558415.db2.gz	USRCKHXKSOMYHK-ZDUSSCGKSA-N	-1	0	375.468	1.072	40	0		GDABRM
CNC(=O)COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cc1	ZINC000223281416	531028901	/nfs/dbraw/zinc/02/89/01/531028901.db2.gz	AZWQWQJCVQWQQX-UHFFFAOYSA-N	-1	0	381.479	1.948	40	0		GDABRM
Cc1cc(S(C)(=O)=O)cc(C(=O)NCCc2nc(C(=O)[O-])cs2)c1C	ZINC000263005162	531136874	/nfs/dbraw/zinc/13/68/74/531136874.db2.gz	LASSXNYINPEZLW-UHFFFAOYSA-N	-1	0	382.463	1.834	40	0		GDABRM
CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OC)ccc1OC	ZINC000013680615	210078396	/nfs/dbraw/zinc/07/83/96/210078396.db2.gz	LIRSJDKRPKWSOM-UHFFFAOYSA-N	-1	0	378.406	1.642	40	0		GDABRM
O=C([O-])C[C@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccsc1	ZINC000274895081	532240562	/nfs/dbraw/zinc/24/05/62/532240562.db2.gz	GXMCPYSZQISEGH-AWEZNQCLSA-N	-1	0	385.467	1.790	40	0		GDABRM
CC[C@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000002558065	209369639	/nfs/dbraw/zinc/36/96/39/209369639.db2.gz	HOCWPKXKMNXINF-BCUIYNNISA-N	-1	0	378.450	1.476	40	0		GDABRM
CN(C[C@@]1(O)CCCN(c2ccnc3ccncc32)C1)C(=O)CCCC(=O)[O-]	ZINC000257228958	212007617	/nfs/dbraw/zinc/00/76/17/212007617.db2.gz	FVZSERWQXVYARR-FQEVSTJZSA-N	-1	0	386.452	1.674	40	0		GDABRM
Cc1c(F)cccc1NC(=O)CN1C[C@@H](O)[C@H](Oc2cccc(C(=O)[O-])c2)C1	ZINC000257228138	212007107	/nfs/dbraw/zinc/00/71/07/212007107.db2.gz	FSMCPNJODBAYLL-QZTJIDSGSA-N	-1	0	388.395	1.895	40	0		GDABRM
CC1(C)Oc2c(O)cccc2[C@H]2O[C@H]3CCN(C(=O)COCC(=O)[O-])[C@H]3C[C@@H]21	ZINC000257229083	212006974	/nfs/dbraw/zinc/00/69/74/212006974.db2.gz	FWPZTDJZSWEXBN-BWQRHGBYSA-N	-1	0	391.420	1.712	40	0		GDABRM
O=C([O-])COc1cccc(/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c1	ZINC000256027982	211993927	/nfs/dbraw/zinc/99/39/27/211993927.db2.gz	MTSMTCXYJFSRBK-ZROIWOOFSA-N	-1	0	380.385	1.224	40	0		GDABRM
COc1cc(Nc2cc(-c3ccccn3)nc(NCC(=O)[O-])n2)cc(OC)c1	ZINC000329006283	209155251	/nfs/dbraw/zinc/15/52/51/209155251.db2.gz	LCCCTFGIASDPOJ-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(OCCN2CCOCC2)cc1	ZINC000019584031	210269662	/nfs/dbraw/zinc/26/96/62/210269662.db2.gz	CVTSAWCPCACMML-UHFFFAOYSA-N	-1	0	380.470	1.240	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3c(Cl)cnn3C)cc2NC1=O	ZINC000585281937	570248451	/nfs/dbraw/zinc/24/84/51/570248451.db2.gz	USWKHFFZTFWHFJ-LLVKDONJSA-N	-1	0	398.828	1.302	40	0		GDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@H]1CCCO1	ZINC000217501432	570317342	/nfs/dbraw/zinc/31/73/42/570317342.db2.gz	IKJKSGBGDSGRHE-CQSZACIVSA-N	-1	0	386.470	1.681	40	0		GDABRM
CNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1	ZINC000217703200	570320216	/nfs/dbraw/zinc/32/02/16/570320216.db2.gz	MSSCAUYVTAELLB-UHFFFAOYSA-N	-1	0	394.449	1.965	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cc(OC)ccc2OC)cc1	ZINC000224854385	570534221	/nfs/dbraw/zinc/53/42/21/570534221.db2.gz	VBJVYTNGBDSCTL-UHFFFAOYSA-N	-1	0	381.406	1.992	40	0		GDABRM
O=C([O-])c1cnc(C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)[nH]c1=O	ZINC000224968456	570540380	/nfs/dbraw/zinc/54/03/80/570540380.db2.gz	BVURSEHJTBPSKL-UHFFFAOYSA-N	-1	0	397.840	1.690	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013320699	570838280	/nfs/dbraw/zinc/83/82/80/570838280.db2.gz	WGOLIZUAAFLXMG-QGWWYQLQSA-N	-1	0	386.448	1.806	40	0		GDABRM
O=C([O-])CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2ccccc2c1	ZINC000013029798	530558245	/nfs/dbraw/zinc/55/82/45/530558245.db2.gz	GAAUQWGBHALVRY-AWEZNQCLSA-N	-1	0	383.447	1.102	40	0		GDABRM
O=C([O-])CN1C(=O)[C@H]2Sc3[nH]c(=O)sc3[C@H](c3cccs3)[C@H]2C1=O	ZINC000028294918	530592506	/nfs/dbraw/zinc/59/25/06/530592506.db2.gz	AZCYYLDNXVAUQI-MRTMQBJTSA-N	-1	0	382.444	1.174	40	0		GDABRM
COc1ccc(CC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1OC	ZINC000036182681	530614100	/nfs/dbraw/zinc/61/41/00/530614100.db2.gz	BHUYCRWGJRLHBW-UHFFFAOYSA-N	-1	0	386.455	1.035	40	0		GDABRM
Cc1ccccc1NC(=O)CN1C(=O)S[C@H]([C@@H]2SC(=O)[N-]C2=O)C1=O	ZINC000101375826	530823514	/nfs/dbraw/zinc/82/35/14/530823514.db2.gz	WRBDKOTZKFYJJT-WDEREUQCSA-N	-1	0	379.419	1.349	40	0		GDABRM
CNS(=O)(=O)c1ccc(C)c([N-]S(=O)(=O)c2cc(F)ccc2OC)c1	ZINC000223024331	531028201	/nfs/dbraw/zinc/02/82/01/531028201.db2.gz	RNWHNHGJFHRDGF-UHFFFAOYSA-N	-1	0	388.442	1.852	40	0		GDABRM
CSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)s1	ZINC000223535278	531029387	/nfs/dbraw/zinc/02/93/87/531029387.db2.gz	LDFXWSLHYCYYKA-UHFFFAOYSA-N	-1	0	380.502	1.507	40	0		GDABRM
COc1ccccc1OC[C@H](C)[N-]S(=O)(=O)c1nnc(NC(C)=O)s1	ZINC000225622137	531030698	/nfs/dbraw/zinc/03/06/98/531030698.db2.gz	UAEYSIGVWFDZRP-VIFPVBQESA-N	-1	0	386.455	1.251	40	0		GDABRM
Cc1nc(-c2ccc(C(=O)[O-])cc2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257232906	222759897	/nfs/dbraw/zinc/75/98/97/222759897.db2.gz	GMYIPGFIZWLHHL-HNNXBMFYSA-N	-1	0	390.465	1.746	40	0		GDABRM
CCCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000563642613	531858242	/nfs/dbraw/zinc/85/82/42/531858242.db2.gz	XCLSYNHVPKHFOK-ZDUSSCGKSA-N	-1	0	375.468	1.281	40	0		GDABRM
O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000000954045	212200040	/nfs/dbraw/zinc/20/00/40/212200040.db2.gz	FVIONIWGOONASI-WWGRRREGSA-N	-1	0	381.310	1.891	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000017079633	221378387	/nfs/dbraw/zinc/37/83/87/221378387.db2.gz	SBKWUPVMXCVGAR-OHFALNGGSA-N	-1	0	390.461	1.042	40	0		GDABRM
COc1cc(/C=C2\NC(=O)N(CC(=O)[O-])C2=O)cc(Br)c1OC	ZINC000408590335	533474345	/nfs/dbraw/zinc/47/43/45/533474345.db2.gz	GBXPRKFLIBGTMT-WTKPLQERSA-N	-1	0	385.170	1.444	40	0		GDABRM
CC(C)[C@H](C(=O)N1CCC[C@@H]1C(=O)[O-])N(C)C(=O)[C@@H](O)Cc1ccccc1	ZINC000230140663	560042125	/nfs/dbraw/zinc/04/21/25/560042125.db2.gz	QXLPHJAUIZITEO-IXDOHACOSA-N	-1	0	376.453	1.149	40	0	biogenic,in-vitro	GDABRM
Cc1ncc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c(C)n1	ZINC000585272490	570242349	/nfs/dbraw/zinc/24/23/49/570242349.db2.gz	NXROEQNLNMQYEY-UHFFFAOYSA-N	-1	0	378.435	1.126	40	0		GDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C(C)C)O3)on1	ZINC000585280918	570249409	/nfs/dbraw/zinc/24/94/09/570249409.db2.gz	CQKWOWQHJYOANO-HNNXBMFYSA-N	-1	0	393.421	1.766	40	0		GDABRM
CC(=O)N[C@@H](CS[C@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-]	ZINC000101273603	570282173	/nfs/dbraw/zinc/28/21/73/570282173.db2.gz	MGSWFKKAGHYQEN-KBPBESRZSA-N	-1	0	378.450	1.566	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc(-n3ccnc3C)cc2)s1	ZINC000222995101	570435748	/nfs/dbraw/zinc/43/57/48/570435748.db2.gz	WMKVWPBUWAOAJO-UHFFFAOYSA-N	-1	0	392.466	1.469	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1	ZINC000223647833	570476627	/nfs/dbraw/zinc/47/66/27/570476627.db2.gz	NVKSIHUKMVRALX-UHFFFAOYSA-N	-1	0	377.422	1.814	40	0		GDABRM
CN(Cc1ncc(C(=O)[O-])c(N2CCCC2)n1)S(=O)(=O)c1ccc(F)cc1	ZINC000049469129	570663741	/nfs/dbraw/zinc/66/37/41/570663741.db2.gz	LARJNYGFZYGYNF-UHFFFAOYSA-N	-1	0	394.428	1.735	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cnc(-c3ccc(C(=O)[O-])cc3)cn2)C1	ZINC000257288820	570776414	/nfs/dbraw/zinc/77/64/14/570776414.db2.gz	PVVXZQJCQULHIL-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
Cc1c([C@@H](NS(=O)(=O)c2ccc(Br)s2)C(=O)[O-])cnn1C	ZINC000530488053	649976605	/nfs/dbraw/zinc/97/66/05/649976605.db2.gz	ZDDPDVUGOQSYOB-SNVBAGLBSA-N	-1	0	394.272	1.657	40	0		GDABRM
NS(=O)(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1	ZINC000006352493	530541087	/nfs/dbraw/zinc/54/10/87/530541087.db2.gz	BXOGJRNRDNEHCB-UHFFFAOYSA-N	-1	0	391.268	1.897	40	0		GDABRM
Cc1cc(SCC(=O)[O-])nc(CN(Cc2ccccc2)S(C)(=O)=O)n1	ZINC000049468953	530673876	/nfs/dbraw/zinc/67/38/76/530673876.db2.gz	WYTFJBMUPTWIKG-UHFFFAOYSA-N	-1	0	381.479	1.924	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCOc2ccccc2Cl)s1	ZINC000223334277	531028937	/nfs/dbraw/zinc/02/89/37/531028937.db2.gz	JAVPOAOGKRDYFK-UHFFFAOYSA-N	-1	0	376.847	1.507	40	0		GDABRM
CCOc1ccc(CCC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000224377925	531029312	/nfs/dbraw/zinc/02/93/12/531029312.db2.gz	RMNZARWNTYINAG-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
CC(=O)Nc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1	ZINC000225877862	531031484	/nfs/dbraw/zinc/03/14/84/531031484.db2.gz	MGBFTQKNEKFRLT-UHFFFAOYSA-N	-1	0	383.455	1.892	40	0		GDABRM
CCN1CCN(c2nn(-c3ccc(Br)cc3)nc2C(=O)[O-])CC1	ZINC000256047763	531092490	/nfs/dbraw/zinc/09/24/90/531092490.db2.gz	OOHQXBGPEWKWCP-UHFFFAOYSA-N	-1	0	380.246	1.870	40	0		GDABRM
CC(C)[C@@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000001576005	212250964	/nfs/dbraw/zinc/25/09/64/212250964.db2.gz	LYALYFZHXCPBAR-JKSUJKDBSA-N	-1	0	388.424	1.473	40	0		GDABRM
COc1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)[O-])cc3)C2)cc1	ZINC000008732573	221052791	/nfs/dbraw/zinc/05/27/91/221052791.db2.gz	CYWKTVFMJOOGSR-HNNXBMFYSA-N	-1	0	398.415	1.828	40	0		GDABRM
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)cc1	ZINC000017081014	221378619	/nfs/dbraw/zinc/37/86/19/221378619.db2.gz	ZAICVBVBOXRORG-YJNKXOJESA-N	-1	0	396.465	1.580	40	0		GDABRM
O=C([O-])[C@@H]1NCCN(C(=O)OCc2ccccc2)[C@H]1C(=O)OCc1ccccc1	ZINC000066348441	222138443	/nfs/dbraw/zinc/13/84/43/222138443.db2.gz	LBABDCBWBCYJSH-QZTJIDSGSA-N	-1	0	398.415	1.794	40	0		GDABRM
Cn1c(CN2CCOCC2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1	ZINC000408545093	534688738	/nfs/dbraw/zinc/68/87/38/534688738.db2.gz	YOLYXWDXGAONHD-UHFFFAOYSA-N	-1	0	391.453	1.076	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCC(=O)OC	ZINC000409049812	528194479	/nfs/dbraw/zinc/19/44/79/528194479.db2.gz	XPXYYBMRDXKDRT-BJMVGYQFSA-N	-1	0	399.197	1.580	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)Cc3ccccc3F)ccc21	ZINC000585271110	570239612	/nfs/dbraw/zinc/23/96/12/570239612.db2.gz	HEXJSJBCNRMACL-UHFFFAOYSA-N	-1	0	380.422	1.787	40	0		GDABRM
CC[C@@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cncc(C)c3)cc2NC1=O	ZINC000585282247	570250112	/nfs/dbraw/zinc/25/01/12/570250112.db2.gz	ZYPOTGNHPHTWHM-AWEZNQCLSA-N	-1	0	375.406	1.618	40	0		GDABRM
COc1ccc(S(=O)(=O)N2CCC[C@@H](c3ncc(C(=O)[O-])c(=O)[nH]3)C2)cc1	ZINC000224968903	570540296	/nfs/dbraw/zinc/54/02/96/570540296.db2.gz	YDVTYYJKZNCLRS-LLVKDONJSA-N	-1	0	393.421	1.045	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2c3ccccc3C[C@@H]2C)s1	ZINC000225553187	570587315	/nfs/dbraw/zinc/58/73/15/570587315.db2.gz	JJTZCLHFNRNSRZ-NSHDSACASA-N	-1	0	395.510	1.616	40	0		GDABRM
COCc1nn2c(nnc3c(=O)n(CC(=O)[O-])ccc32)c1-c1ccc(F)cc1	ZINC000040392196	570600175	/nfs/dbraw/zinc/60/01/75/570600175.db2.gz	NNNPXJQHQICYAF-UHFFFAOYSA-N	-1	0	383.339	1.476	40	0		GDABRM
CCN(Cc1nc(C)c(CC(=O)[O-])c(=O)[nH]1)S(=O)(=O)c1ccc(Cl)cc1	ZINC000049468736	570663687	/nfs/dbraw/zinc/66/36/87/570663687.db2.gz	VFFNQGGEMSXRIF-UHFFFAOYSA-N	-1	0	399.856	1.570	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H](c2ccc(-c3cncc(C(=O)[O-])c3)cn2)C1	ZINC000257330429	570783001	/nfs/dbraw/zinc/78/30/01/570783001.db2.gz	XOJYFYJUAQYTSI-AWEZNQCLSA-N	-1	0	390.465	1.828	40	0		GDABRM
NC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccccc2)CC1	ZINC000014153549	570878190	/nfs/dbraw/zinc/87/81/90/570878190.db2.gz	CFMZTYIHODOJBD-UHFFFAOYSA-N	-1	0	387.461	1.825	40	0		GDABRM
COC[C@@H](C)Nc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC(C)C	ZINC000217513816	222580407	/nfs/dbraw/zinc/58/04/07/222580407.db2.gz	HKDZGOIZJJVGQL-CYBMUJFWSA-N	-1	0	388.486	1.925	40	0		GDABRM
CCCc1ccc(OCC[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000225197257	531030007	/nfs/dbraw/zinc/03/00/07/531030007.db2.gz	BVWKYYGCZQZGFI-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
C[C@@]1(CNS(=O)(=O)c2ccc(C(=O)[O-])c(C(F)(F)F)c2)CCC(=O)N1	ZINC000414344806	531442652	/nfs/dbraw/zinc/44/26/52/531442652.db2.gz	KODMVXPHYMEWMJ-ZDUSSCGKSA-N	-1	0	380.344	1.351	40	0		GDABRM
O=C([O-])CCc1[nH]c(I)nc1I	ZINC000008652355	221049079	/nfs/dbraw/zinc/04/90/79/221049079.db2.gz	UMOZLASVOWYHIY-UHFFFAOYSA-N	-1	0	391.934	1.636	40	0		GDABRM
O=C([O-])COc1ccc(N2C[C@@H](C(=O)NCCc3ccccc3)CC2=O)cc1	ZINC000008732577	221052776	/nfs/dbraw/zinc/05/27/76/221052776.db2.gz	BNQPNXBCWUPICE-INIZCTEOSA-N	-1	0	382.416	1.862	40	0		GDABRM
CCOC(=O)[C@@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000012503119	221200490	/nfs/dbraw/zinc/20/04/90/221200490.db2.gz	GBXSMTUPTTWBMN-UAGQMJEPSA-N	-1	0	376.453	1.605	40	0	world	GDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]2CC[C@@H]1O2	ZINC000017080573	221378482	/nfs/dbraw/zinc/37/84/82/221378482.db2.gz	OYNBLHHNRRTGQJ-UGUYLWEFSA-N	-1	0	394.449	1.288	40	0		GDABRM
CC(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C2CCC2)CC4)CC1	ZINC000019016810	221393565	/nfs/dbraw/zinc/39/35/65/221393565.db2.gz	LVDHAQHPIQPBKN-UHFFFAOYSA-N	-1	0	397.479	1.846	40	0		GDABRM
CC(=O)N[C@H](CSCC(=O)Nc1ccc2c(c1)N1CCN=C1S2)C(=O)[O-]	ZINC000020309835	221481475	/nfs/dbraw/zinc/48/14/75/221481475.db2.gz	ALRZBCODCZPCMT-LLVKDONJSA-N	-1	0	394.478	1.229	40	0		GDABRM
Cc1cccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2N(C)C)c1	ZINC000224346217	136206973	/nfs/dbraw/zinc/20/69/73/136206973.db2.gz	QQBWCGIKGCWYGG-UHFFFAOYSA-N	-1	0	377.470	1.488	40	0		GDABRM
O=C(NC[C@H]1CCCO1)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[n-]1	ZINC000035315541	221818134	/nfs/dbraw/zinc/81/81/34/221818134.db2.gz	WIYXEIZCFRUTHB-GFCCVEGCSA-N	-1	0	388.815	1.537	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409196091	528194343	/nfs/dbraw/zinc/19/43/43/528194343.db2.gz	WZRLJOVCMZNNRG-BJMVGYQFSA-N	-1	0	399.197	1.834	40	0		GDABRM
CCOC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409124350	528841288	/nfs/dbraw/zinc/84/12/88/528841288.db2.gz	BGWFWZAMVREASQ-NTUHNPAUSA-N	-1	0	395.389	1.758	40	0		GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C)O[C@H](C)C(=O)N2	ZINC000585271031	570239685	/nfs/dbraw/zinc/23/96/85/570239685.db2.gz	FMADXGNBMPPVIP-SNVBAGLBSA-N	-1	0	390.421	1.240	40	0		GDABRM
O=C(CCc1cccc(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585273666	570241689	/nfs/dbraw/zinc/24/16/89/570241689.db2.gz	TUYRZSDUJWCTJU-UHFFFAOYSA-N	-1	0	378.381	1.594	40	0		GDABRM
Cc1ccc([C@H]2c3sc(=O)[nH]c3S[C@@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000100864211	570278625	/nfs/dbraw/zinc/27/86/25/570278625.db2.gz	NIYGOCRPJPNRPP-WZRBSPASSA-N	-1	0	390.442	1.421	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NC[C@H]2CCCO2)ccc1NC[C@@H]1CCCO1	ZINC000217633780	570319678	/nfs/dbraw/zinc/31/96/78/570319678.db2.gz	LYXORJOOMJPRRK-QWHCGFSZSA-N	-1	0	384.454	1.433	40	0		GDABRM
CCOCCCNc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1C(=O)[O-]	ZINC000217634666	570319705	/nfs/dbraw/zinc/31/97/05/570319705.db2.gz	LPTUEOTWDKSFRI-ZDUSSCGKSA-N	-1	0	386.470	1.681	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cccc(C(=O)OC)c2)c1	ZINC000223795434	570485150	/nfs/dbraw/zinc/48/51/50/570485150.db2.gz	FSJHUIGFNVOMGA-UHFFFAOYSA-N	-1	0	378.406	1.642	40	0		GDABRM
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccc(Cl)cc3)C2)[nH]c1=O	ZINC000224969015	570540541	/nfs/dbraw/zinc/54/05/41/570540541.db2.gz	ORVDLJYZMUTROZ-JTQLQIEISA-N	-1	0	397.840	1.690	40	0		GDABRM
O=C1N[C@@H](c2ccc(O)cc2)C(=C([O-])c2cccnc2)[C@@](O)(C(F)(F)F)N1	ZINC000004269929	570968260	/nfs/dbraw/zinc/96/82/60/570968260.db2.gz	FVIONIWGOONASI-HEHGZKQESA-N	-1	0	381.310	1.891	40	0		GDABRM
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(S(=O)(=O)Cc1ccon1)CC2	ZINC000275088166	600764773	/nfs/dbraw/zinc/76/47/73/600764773.db2.gz	GDUDIGXYHYBFJO-CQSZACIVSA-N	-1	0	396.421	1.596	40	0		GDABRM
COC(=O)N1N[C@H]([C@@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)SC1(C)C	ZINC000001593813	212250951	/nfs/dbraw/zinc/25/09/51/212250951.db2.gz	GMVCKJRSLHNPGN-QWRGUYRKSA-N	-1	0	379.394	1.118	40	0		GDABRM
COc1ccc(Nc2cc(-c3ccncc3)nc(NCC(=O)[O-])n2)cc1OC	ZINC000329072520	212095993	/nfs/dbraw/zinc/09/59/93/212095993.db2.gz	ZYXVYLOKDXVDBU-UHFFFAOYSA-N	-1	0	381.392	1.640	40	0		GDABRM
C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-]	ZINC000002556672	220541844	/nfs/dbraw/zinc/54/18/44/220541844.db2.gz	INPGUDNBCHNMDV-GUYCJALGSA-N	-1	0	386.404	1.819	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000006700131	220952028	/nfs/dbraw/zinc/95/20/28/220952028.db2.gz	MXDIUNHDLOILHZ-DHMWGJHJSA-N	-1	0	398.506	1.328	40	0		GDABRM
CCc1cc(=O)n2[n-]c([C@H]3CCCCN3C(=O)Cn3nc(C)ccc3=O)cc2n1	ZINC000012161357	221161953	/nfs/dbraw/zinc/16/19/53/221161953.db2.gz	RQGWKIGUIKJJIH-MRXNPFEDSA-N	-1	0	396.451	1.616	40	0		GDABRM
CC(=O)Oc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCC(=O)[O-])cc1	ZINC000013549220	221271291	/nfs/dbraw/zinc/27/12/91/221271291.db2.gz	HINITUIFBAJLRA-QGOAFFKASA-N	-1	0	396.399	1.974	40	0		GDABRM
COc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000408590862	533486445	/nfs/dbraw/zinc/48/64/45/533486445.db2.gz	INCBHIJYFMQAFQ-YCRREMRBSA-N	-1	0	385.170	1.444	40	0		GDABRM
O=C(NC[C@@H]1CCCO1)c1nc2c(nnn2Cc2cccc(Cl)c2)c(=O)[n-]1	ZINC000035315539	221817587	/nfs/dbraw/zinc/81/75/87/221817587.db2.gz	WIYXEIZCFRUTHB-LBPRGKRZSA-N	-1	0	388.815	1.537	40	0		GDABRM
O=C([O-])CSCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)c(-c3cccnc3)ccc12	ZINC000005397198	560201591	/nfs/dbraw/zinc/20/15/91/560201591.db2.gz	RSWFVGAKGYGBHM-DZGCQCFKSA-N	-1	0	399.472	1.674	40	0	biogenic,in-vitro	GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3ccnn3C(F)F)ccc21	ZINC000585270930	570239584	/nfs/dbraw/zinc/23/95/84/570239584.db2.gz	DRSRUDIKXRAJRN-UHFFFAOYSA-N	-1	0	388.377	1.310	40	0		GDABRM
COc1ccc(CCNc2ccc(C(=O)[O-])cc2S(=O)(=O)NCCO)cc1	ZINC000217458559	570316310	/nfs/dbraw/zinc/31/63/10/570316310.db2.gz	AKPPEPCAEDFJBS-UHFFFAOYSA-N	-1	0	394.449	1.319	40	0		GDABRM
COc1ccc(CCNS(=O)(=O)c2cc(C(=O)[O-])ccc2NCCO)cc1	ZINC000217486066	570317115	/nfs/dbraw/zinc/31/71/15/570317115.db2.gz	NLADQAFPHQYTNQ-UHFFFAOYSA-N	-1	0	394.449	1.319	40	0		GDABRM
COC[C@H](C)NS(=O)(=O)c1ccc(NCCCOC(C)C)c(C(=O)[O-])c1	ZINC000217667859	570320320	/nfs/dbraw/zinc/32/03/20/570320320.db2.gz	YEAPUDMNPASWKC-ZDUSSCGKSA-N	-1	0	388.486	1.925	40	0		GDABRM
COc1cccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(OC)c(OC)c2)c1	ZINC000224797013	570531207	/nfs/dbraw/zinc/53/12/07/570531207.db2.gz	ZCXATUAPFNRULV-UHFFFAOYSA-N	-1	0	381.406	1.992	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)s1	ZINC000224988794	570541856	/nfs/dbraw/zinc/54/18/56/570541856.db2.gz	BWKPRMBSYAUTSQ-UHFFFAOYSA-N	-1	0	395.466	1.814	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1	ZINC000035897753	570552416	/nfs/dbraw/zinc/55/24/16/570552416.db2.gz	GXZSEMACUPRTAQ-OSRDXIQISA-N	-1	0	396.490	1.104	40	0		GDABRM
Cc1nc(CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)[nH]c(=O)c1CC(=O)[O-]	ZINC000049468721	570663931	/nfs/dbraw/zinc/66/39/31/570663931.db2.gz	NQVUETSYVKHCFN-UHFFFAOYSA-N	-1	0	399.856	1.321	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN2c3ccccc3C[C@H]2C)s1	ZINC000260764030	570703916	/nfs/dbraw/zinc/70/39/16/570703916.db2.gz	JJTZCLHFNRNSRZ-LLVKDONJSA-N	-1	0	395.510	1.616	40	0		GDABRM
Cc1cc(-c2ccc(C(=O)[O-])cc2)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257307406	570778934	/nfs/dbraw/zinc/77/89/34/570778934.db2.gz	SYMXRHBXAAUSMC-OAHLLOKOSA-N	-1	0	390.465	1.746	40	0		GDABRM
O=C([O-])c1cc(S(=O)(=O)NCCc2ccccc2)ccc1NCCCO	ZINC000217615252	222579708	/nfs/dbraw/zinc/57/97/08/222579708.db2.gz	WSWRMYASCHPEAP-UHFFFAOYSA-N	-1	0	378.450	1.700	40	0		GDABRM
COC(=O)CN1C(=O)N/C(=C/c2cc(Cl)cc(Br)c2[O-])C1=O	ZINC000108152337	530855931	/nfs/dbraw/zinc/85/59/31/530855931.db2.gz	SQTPBLAJDNDDQY-YCRREMRBSA-N	-1	0	389.589	1.874	40	0		GDABRM
COc1ccc(OC[C@H](C)[N-]S(=O)(=O)c2nnc(NC(C)=O)s2)cc1	ZINC000223153592	531028551	/nfs/dbraw/zinc/02/85/51/531028551.db2.gz	SXAOIIUXBZLBKV-VIFPVBQESA-N	-1	0	386.455	1.251	40	0		GDABRM
CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c1	ZINC000225456282	531030299	/nfs/dbraw/zinc/03/02/99/531030299.db2.gz	YGPRRSGXKGTQDN-UHFFFAOYSA-N	-1	0	384.439	1.782	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-][C@@H](C)COc2ccccc2C)s1	ZINC000225596332	531031085	/nfs/dbraw/zinc/03/10/85/531031085.db2.gz	VZOQIDGNKFRTBZ-NSHDSACASA-N	-1	0	384.483	1.941	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3ccc(C(=O)[O-])cc3)n2)C1	ZINC000257231783	222758511	/nfs/dbraw/zinc/75/85/11/222758511.db2.gz	GIFDZPMPGKJIFV-OAHLLOKOSA-N	-1	0	390.465	1.828	40	0		GDABRM
CC(=O)N[C@H](CS[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-]	ZINC000016899709	221373261	/nfs/dbraw/zinc/37/32/61/221373261.db2.gz	MGSWFKKAGHYQEN-ZIAGYGMSSA-N	-1	0	378.450	1.566	40	0		GDABRM
CC(=O)N[C@@H](CS[C@@H]1CC(=O)N(c2c(C)cc(C)cc2C)C1=O)C(=O)[O-]	ZINC000016899708	221373578	/nfs/dbraw/zinc/37/35/78/221373578.db2.gz	MGSWFKKAGHYQEN-UONOGXRCSA-N	-1	0	378.450	1.566	40	0		GDABRM
COCc1nn2c(nnc3c2ccn([C@H](C)C(=O)[O-])c3=O)c1-c1ccccc1	ZINC000040391215	221921023	/nfs/dbraw/zinc/92/10/23/221921023.db2.gz	SZIYYZNJKMXWMR-LLVKDONJSA-N	-1	0	379.376	1.898	40	0		GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cccnn1)O[C@H](C(C)C)C(=O)N2	ZINC000585281587	570247994	/nfs/dbraw/zinc/24/79/94/570247994.db2.gz	LRVFWDLEQWYFRE-OAHLLOKOSA-N	-1	0	390.421	1.259	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3cccc(F)c3)cc2NC1=O	ZINC000585281463	570249664	/nfs/dbraw/zinc/24/96/64/570249664.db2.gz	JOYXDOCJBMWTNL-OAHLLOKOSA-N	-1	0	392.408	1.983	40	0		GDABRM
CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2SC[C@H](C(=O)[O-])NC2=O)cc1	ZINC000020635062	570273536	/nfs/dbraw/zinc/27/35/36/570273536.db2.gz	FAHKYRCAHLAKIP-KGLIPLIRSA-N	-1	0	394.449	1.657	40	0		GDABRM
Cn1cc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])c(C(=O)NCc2ccco2)n1	ZINC000006828047	570286975	/nfs/dbraw/zinc/28/69/75/570286975.db2.gz	OANPDOHXNVARFN-BVIHXZOGSA-N	-1	0	386.408	1.629	40	0		GDABRM
COCCNS(=O)(=O)c1cc(C(=O)[O-])ccc1NCCc1ccccc1	ZINC000217465843	570316703	/nfs/dbraw/zinc/31/67/03/570316703.db2.gz	QPZNVEWGKXKHLU-UHFFFAOYSA-N	-1	0	378.450	1.964	40	0		GDABRM
COc1ccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2N(C)C)cc1OC	ZINC000224341371	570448805	/nfs/dbraw/zinc/44/88/05/570448805.db2.gz	OCJWGLLJKMGECW-UHFFFAOYSA-N	-1	0	381.458	1.427	40	0		GDABRM
O=C([O-])c1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)c1	ZINC000000792991	570481575	/nfs/dbraw/zinc/48/15/75/570481575.db2.gz	VAIQDRZTKVZEQS-UHFFFAOYSA-N	-1	0	396.446	1.720	40	0		GDABRM
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1	ZINC000035898260	570558697	/nfs/dbraw/zinc/55/86/97/570558697.db2.gz	ZAICVBVBOXRORG-BARDWOONSA-N	-1	0	396.465	1.580	40	0		GDABRM
CCCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588226228	570744918	/nfs/dbraw/zinc/74/49/18/570744918.db2.gz	LKZNPJASPRLDSB-GOSISDBHSA-N	-1	0	378.457	1.483	40	0		GDABRM
CCCCSC1=NC(=O)C2=c3ccccc3=NC(=C([O-])c3ccccc3)N2N1	ZINC000588228248	570745689	/nfs/dbraw/zinc/74/56/89/570745689.db2.gz	MOSHXSSLHLLNBT-IBGZPJMESA-N	-1	0	392.484	1.873	40	0		GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257214373	570762104	/nfs/dbraw/zinc/76/21/04/570762104.db2.gz	CLTFMFKBEKXEGC-GFCCVEGCSA-N	-1	0	391.453	1.141	40	0		GDABRM
CS(=O)(=O)N1CCC(Cc2cncc(-c3cncc(C(=O)[O-])c3)n2)CC1	ZINC000257219816	570762556	/nfs/dbraw/zinc/76/25/56/570762556.db2.gz	DIGNRVGUUKUJFF-UHFFFAOYSA-N	-1	0	376.438	1.451	40	0		GDABRM
Cc1cc(N2CC[C@@](O)(CN(C)C(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257240733	570768014	/nfs/dbraw/zinc/76/80/14/570768014.db2.gz	HUXNGPHUYCBXQD-HXUWFJFHSA-N	-1	0	386.452	1.593	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H](c2cc(-c3cncc(C(=O)[O-])c3)ccn2)C1	ZINC000257266091	570772663	/nfs/dbraw/zinc/77/26/63/570772663.db2.gz	MBNCBRBXYSGVPW-CQSZACIVSA-N	-1	0	390.465	1.828	40	0		GDABRM
O=C(CCCn1c(=O)[nH]c2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1	ZINC000103466504	570902946	/nfs/dbraw/zinc/90/29/46/570902946.db2.gz	TVNOFKZNRDAYSS-OKILXGFUSA-N	-1	0	387.436	1.477	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)(C)C)s1	ZINC000225867356	222701266	/nfs/dbraw/zinc/70/12/66/222701266.db2.gz	LGWCUSYTFFSYEW-UHFFFAOYSA-N	-1	0	397.482	1.826	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]C(=O)N2C(=O)c3ccccc3S2(=O)=O)cc1	ZINC000006204992	530541481	/nfs/dbraw/zinc/54/14/81/530541481.db2.gz	CRPHBJOSYNZUSJ-UHFFFAOYSA-N	-1	0	380.403	1.238	40	0		GDABRM
Cn1c2nc(Nc3ccc(Cl)c(Cl)c3)n(CC(=O)[O-])c2c(=O)[nH]c1=O	ZINC000096306685	530818470	/nfs/dbraw/zinc/81/84/70/530818470.db2.gz	UABUFADFYFTCFM-UHFFFAOYSA-N	-1	0	384.179	1.558	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCOC2CCCCC2)s1	ZINC000222787383	531028484	/nfs/dbraw/zinc/02/84/84/531028484.db2.gz	QXHNTJLJPVTBJR-UHFFFAOYSA-N	-1	0	376.504	1.904	40	0		GDABRM
O=C([O-])[C@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CCO1	ZINC000562968097	531792333	/nfs/dbraw/zinc/79/23/33/531792333.db2.gz	VUBGZZVDZXVNHB-LLVKDONJSA-N	-1	0	382.207	1.203	40	0		GDABRM
CO[C@H]1C[C@@H](CN(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)N(C)C1	ZINC000285221268	532050387	/nfs/dbraw/zinc/05/03/87/532050387.db2.gz	XHYLWARHYMZDJP-RYUDHWBXSA-N	-1	0	376.862	1.378	40	0		GDABRM
CCOC(=O)N1CCN([C@H]2CC(=O)N(c3cc(C(=O)[O-])ccc3C)C2=O)CC1	ZINC000096308944	222410196	/nfs/dbraw/zinc/41/01/96/222410196.db2.gz	BEFIQFDSMHEGTJ-HNNXBMFYSA-N	-1	0	389.408	1.099	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)s1	ZINC000225021538	527550694	/nfs/dbraw/zinc/55/06/94/527550694.db2.gz	PARAPXAZPUGRLA-UHFFFAOYSA-N	-1	0	397.526	1.937	40	0		GDABRM
COc1ccccc1NC(=O)CN1C(=O)S[C@@H]([C@@H]2SC(=O)[N-]C2=O)C1=O	ZINC000101375862	570283034	/nfs/dbraw/zinc/28/30/34/570283034.db2.gz	MTDITGNPUJYNMH-QWRGUYRKSA-N	-1	0	395.418	1.049	40	0		GDABRM
O=C([O-])[C@@H]1[C@H](C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)[C@@H]2CC[C@H]1C2	ZINC000006741049	570283450	/nfs/dbraw/zinc/28/34/50/570283450.db2.gz	WGOLIZUAAFLXMG-OHQAAIJDSA-N	-1	0	386.448	1.806	40	0		GDABRM
CCOCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NC[C@@H]1CCCO1	ZINC000217501361	570317535	/nfs/dbraw/zinc/31/75/35/570317535.db2.gz	IKJKSGBGDSGRHE-AWEZNQCLSA-N	-1	0	386.470	1.681	40	0		GDABRM
C[C@H]([NH2+][C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1C2CCC(CC2)[C@H]1C(=O)[O-]	ZINC000003793034	570350978	/nfs/dbraw/zinc/35/09/78/570350978.db2.gz	HBZJVGFXZTUXNI-XMQLQKOFSA-N	-1	0	388.464	1.905	40	0	investigational	GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)s1	ZINC000224050777	570496491	/nfs/dbraw/zinc/49/64/91/570496491.db2.gz	CZWZGVINJJMHOR-UHFFFAOYSA-N	-1	0	397.482	1.826	40	0		GDABRM
O=C([O-])c1cnc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]c1=O	ZINC000224969218	570540463	/nfs/dbraw/zinc/54/04/63/570540463.db2.gz	NBIBQDDTVLYUTD-JTQLQIEISA-N	-1	0	381.385	1.176	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257201832	570760268	/nfs/dbraw/zinc/76/02/68/570760268.db2.gz	AJEXCHAFSCPSAU-GFCCVEGCSA-N	-1	0	391.453	1.223	40	0		GDABRM
Cc1nc2[n-]c(CC(=O)N[C@H](C)c3ccc4c(c3)CCCO4)nn2c(=O)c1C	ZINC000019576972	570927865	/nfs/dbraw/zinc/92/78/65/570927865.db2.gz	RMXMTQRUFDHCAT-CYBMUJFWSA-N	-1	0	381.436	1.779	40	0		GDABRM
CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)cc1OCC(=O)[O-]	ZINC000006958518	530543477	/nfs/dbraw/zinc/54/34/77/530543477.db2.gz	CJAPUTJYXJNHKH-ONNFQVAWSA-N	-1	0	399.197	1.834	40	0		GDABRM
COCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000224440096	531029325	/nfs/dbraw/zinc/02/93/25/531029325.db2.gz	DEIUPTUAWKLQMD-UHFFFAOYSA-N	-1	0	390.874	1.759	40	0		GDABRM
COC[C@]1(C(=O)[O-])CCCN1S(=O)(=O)c1cccc(Br)c1	ZINC000647927145	531904403	/nfs/dbraw/zinc/90/44/03/531904403.db2.gz	BHQCNHSEFNBAFF-ZDUSSCGKSA-N	-1	0	378.244	1.703	40	0		GDABRM
CC[C@@H](C)N([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1C	ZINC000575425888	532014089	/nfs/dbraw/zinc/01/40/89/532014089.db2.gz	IONAGEKMJOTCAB-TZMCWYRMSA-N	-1	0	389.495	1.670	40	0		GDABRM
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(CC(C)C)[C@@H]1CCS(=O)(=O)C1	ZINC000575424955	532014435	/nfs/dbraw/zinc/01/44/35/532014435.db2.gz	CTKKYVKZMZHOLE-CQSZACIVSA-N	-1	0	389.495	1.527	40	0		GDABRM
Cc1ccc(S(=O)(=O)N(CCCC(=O)[O-])[C@H]2CCS(=O)(=O)C2)cc1C	ZINC000575423773	532014495	/nfs/dbraw/zinc/01/44/95/532014495.db2.gz	REXYZBSZLYIDJD-AWEZNQCLSA-N	-1	0	389.495	1.346	40	0		GDABRM
CC[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-]	ZINC000006907969	220977501	/nfs/dbraw/zinc/97/75/01/220977501.db2.gz	OGVIIIBTINXGHG-BYCMXARLSA-N	-1	0	375.425	1.915	40	0		GDABRM
CC(C)(C)c1cc2nc(CNC(=O)C[C@@H]3CCS(=O)(=O)C3)cc(=O)n2[n-]1	ZINC000019084250	221395923	/nfs/dbraw/zinc/39/59/23/221395923.db2.gz	FPISMZNCRPWUAG-NSHDSACASA-N	-1	0	380.470	1.173	40	0		GDABRM
COC(=O)COc1ccc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc1OC	ZINC000409133851	533554693	/nfs/dbraw/zinc/55/46/93/533554693.db2.gz	QTTDKLLYPHRBMG-WUXMJOGZSA-N	-1	0	381.362	1.368	40	0		GDABRM
CCc1noc(C)c1C(=O)[N-]S(=O)(=O)c1cc2c(cc1C)NC(=O)[C@H](C)O2	ZINC000585271828	570241852	/nfs/dbraw/zinc/24/18/52/570241852.db2.gz	KLUULLUQWPOUOO-JTQLQIEISA-N	-1	0	393.421	1.692	40	0		GDABRM
O=C(Cc1ccc(F)c(F)c1)[N-]S(=O)(=O)c1ccc2c(c1)NC(=O)CO2	ZINC000585272334	570242416	/nfs/dbraw/zinc/24/24/16/570242416.db2.gz	MKTNTKZEICXCOF-UHFFFAOYSA-N	-1	0	382.344	1.343	40	0		GDABRM
CNC(=O)c1cccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2CC(=O)[O-])c1	ZINC000585292202	570261597	/nfs/dbraw/zinc/26/15/97/570261597.db2.gz	FZBYJMRHTNFHRT-HNNXBMFYSA-N	-1	0	377.441	1.725	40	0		GDABRM
C[C@@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217756	570269126	/nfs/dbraw/zinc/26/91/26/570269126.db2.gz	QQNWAKWTSRMIIL-NEPJUHHUSA-N	-1	0	394.497	1.734	40	0		GDABRM
CCn1c(SCC(=O)[O-])nnc1-c1ccc(S(=O)(=O)N2CCCC2)cc1	ZINC000000879224	570693076	/nfs/dbraw/zinc/69/30/76/570693076.db2.gz	XKJDNYAOOOABLT-UHFFFAOYSA-N	-1	0	396.494	1.926	40	0		GDABRM
Cc1ccccc1N(CC(=O)N/N=C/c1ccc(C(=O)[O-])cc1)S(C)(=O)=O	ZINC000019954822	570900635	/nfs/dbraw/zinc/90/06/35/570900635.db2.gz	JHKXHTINDHKRKS-YBFXNURJSA-N	-1	0	389.433	1.610	40	0		GDABRM
CC[C@@H](Oc1ccccc1)C(=O)N[C@H]1C(=O)N2[C@@H]1SC(C)(C)[C@H]2C(=O)[O-]	ZINC000003616634	570962343	/nfs/dbraw/zinc/96/23/43/570962343.db2.gz	HOCWPKXKMNXINF-OQMKEHIESA-N	-1	0	378.450	1.476	40	0		GDABRM
O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)C1CCN(C(=O)N2CCCC2)CC1	ZINC000531745645	600486161	/nfs/dbraw/zinc/48/61/61/600486161.db2.gz	KTQJPPXQFFZTEY-INIZCTEOSA-N	-1	0	381.473	1.397	40	0		GDABRM
COc1ccccc1C[C@H](NS(=O)(=O)N1CCC(C(=O)[O-])CC1)C(C)C	ZINC000516567640	601396095	/nfs/dbraw/zinc/39/60/95/601396095.db2.gz	SCYLMWJSLGQKFQ-INIZCTEOSA-N	-1	0	384.498	1.893	40	0		GDABRM
COCCCNc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCCOC(C)C	ZINC000217511776	222580027	/nfs/dbraw/zinc/58/00/27/222580027.db2.gz	CFQBPDUEUZMZCS-UHFFFAOYSA-N	-1	0	388.486	1.927	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)s1	ZINC000222728465	222612666	/nfs/dbraw/zinc/61/26/66/222612666.db2.gz	LGIZIWOEIXFWRY-UHFFFAOYSA-N	-1	0	383.455	1.436	40	0		GDABRM
CN1C(=O)SC(=Cc2c(=O)[n-]c(=S)n(-c3ccc(Cl)cc3)c2O)C1=O	ZINC000408808124	530046294	/nfs/dbraw/zinc/04/62/94/530046294.db2.gz	DSQCXQMKCJSOFZ-WPVMNKCKSA-N	-1	0	395.849	1.913	40	0		GDABRM
CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=O)NC2=O)cc1OC	ZINC000006204585	530541251	/nfs/dbraw/zinc/54/12/51/530541251.db2.gz	UUPOWNHKMIEWPZ-UHFFFAOYSA-N	-1	0	383.198	1.996	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2nnc(-c3ccccc3)s2)s1	ZINC000224995001	531030270	/nfs/dbraw/zinc/03/02/70/531030270.db2.gz	WVBCVWOYTCYBJX-UHFFFAOYSA-N	-1	0	382.452	1.816	40	0		GDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)cc1OC	ZINC000225651627	531031109	/nfs/dbraw/zinc/03/11/09/531031109.db2.gz	BJXOSSAMBLNSDD-UHFFFAOYSA-N	-1	0	386.455	1.951	40	0		GDABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]C[C@H]3CCCO3)s2)c1	ZINC000225824250	531031926	/nfs/dbraw/zinc/03/19/26/531031926.db2.gz	HLRWWSLWEVTEBI-GFCCVEGCSA-N	-1	0	382.467	1.556	40	0		GDABRM
COC(=O)N1N[C@@H]([C@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)SC1(C)C	ZINC000001593814	212251096	/nfs/dbraw/zinc/25/10/96/212251096.db2.gz	GMVCKJRSLHNPGN-GHMZBOCLSA-N	-1	0	379.394	1.118	40	0		GDABRM
O=C1N[C@@H](c2cccc(O)c2)C(=C([O-])c2cccnc2)[C@](O)(C(F)(F)F)N1	ZINC000001006979	212204307	/nfs/dbraw/zinc/20/43/07/212204307.db2.gz	IKZIMWGLKBWNBI-WWGRRREGSA-N	-1	0	381.310	1.891	40	0		GDABRM
O=C1c2ccccc2C(=O)N1CCS(=O)(=O)[N-]c1cccc2nsnc21	ZINC000000969696	212200722	/nfs/dbraw/zinc/20/07/22/212200722.db2.gz	PRJFZNXIBDXQGS-UHFFFAOYSA-N	-1	0	388.430	1.729	40	0		GDABRM
COc1cc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])ccc1O	ZINC000008665509	221048937	/nfs/dbraw/zinc/04/89/37/221048937.db2.gz	CZTRBMMRFGMOKC-OBKZQHTGSA-N	-1	0	392.433	1.046	40	0		GDABRM
Cn1c(=O)oc2cc(S(=O)(=O)Nc3c([O-])c4ccccc4oc3=O)ccc21	ZINC000009560769	221085554	/nfs/dbraw/zinc/08/55/54/221085554.db2.gz	RXJVCMNORKWVKD-UHFFFAOYSA-N	-1	0	388.357	1.744	40	0		GDABRM
O=C([O-])c1cccc(N2C(=O)C[C@H](N3CCN(c4ccccc4F)CC3)C2=O)c1	ZINC000011177369	221112509	/nfs/dbraw/zinc/11/25/09/221112509.db2.gz	SXMCVIUHUOBNPE-SFHVURJKSA-N	-1	0	397.406	1.978	40	0		GDABRM
CN1C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C[C@H]1c1nc(-c2ccccn2)no1	ZINC000012529783	221203325	/nfs/dbraw/zinc/20/33/25/221203325.db2.gz	RABYHLUIOSTACB-JSGCOSHPSA-N	-1	0	387.440	1.884	40	0	biogenic,in-vitro	GDABRM
CCn1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3CC[C@@H]2O3)c(C(=O)NC2CCCC2)n1	ZINC000017079624	221378441	/nfs/dbraw/zinc/37/84/41/221378441.db2.gz	PWENXHQPXHWCEF-YJNKXOJESA-N	-1	0	390.440	1.392	40	0		GDABRM
COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Br)c1OCC(=O)[O-]	ZINC000409195014	533471359	/nfs/dbraw/zinc/47/13/59/533471359.db2.gz	SGZPJODCRKEBGQ-RUDMXATFSA-N	-1	0	385.170	1.444	40	0		GDABRM
NC(=O)c1c(NC(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])sc2c1CCCCC2	ZINC000035898117	221835409	/nfs/dbraw/zinc/83/54/09/221835409.db2.gz	SOHZVDDTMVVBAV-QOBDMFJFSA-N	-1	0	378.450	1.933	40	0		GDABRM
COc1ccc2[nH]c(C[C@H]3CN(S(C)(=O)=O)CC[C@H]3CC(=O)[O-])nc2c1	ZINC000514288687	560034121	/nfs/dbraw/zinc/03/41/21/560034121.db2.gz	KQSHDWICVKNIKX-RYUDHWBXSA-N	-1	0	381.454	1.486	40	0	biogenic,in-vitro	GDABRM
CCCc1cc(C(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)no1	ZINC000585270192	570239228	/nfs/dbraw/zinc/23/92/28/570239228.db2.gz	AHOHFRUJZFYSDE-UHFFFAOYSA-N	-1	0	381.435	1.659	40	0		GDABRM
CC(C)CNC(=O)CN1C(=O)S/C(=C\c2ccccc2OCC(=O)[O-])C1=O	ZINC000006326315	570357532	/nfs/dbraw/zinc/35/75/32/570357532.db2.gz	FCCNZWDRVVEZAU-AUWJEWJLSA-N	-1	0	392.433	1.959	40	0		GDABRM
CCCCc1ccc(-n2c(=O)[nH]c(C(=O)[O-])c(CN3CCOCC3)c2=O)cc1	ZINC000222676021	570420094	/nfs/dbraw/zinc/42/00/94/570420094.db2.gz	OTOVDHKQHJBCLE-UHFFFAOYSA-N	-1	0	387.436	1.399	40	0		GDABRM
COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N(C)C)cc1	ZINC000223306252	570457479	/nfs/dbraw/zinc/45/74/79/570457479.db2.gz	WSXSYWFJMHHHRI-UHFFFAOYSA-N	-1	0	392.433	1.741	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1	ZINC000223646083	570476681	/nfs/dbraw/zinc/47/66/81/570476681.db2.gz	AUTWSIXJROKYAQ-UHFFFAOYSA-N	-1	0	378.406	1.627	40	0		GDABRM
Cc1nc(CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)ncc1C(=O)[O-]	ZINC000049468487	570663852	/nfs/dbraw/zinc/66/38/52/570663852.db2.gz	DTHUSPQUBWXTEA-UHFFFAOYSA-N	-1	0	391.449	1.289	40	0		GDABRM
CNC(=O)[C@H]1CN(C(C)=O)CCN1Cc1ccc(-c2ccccc2C(=O)[O-])o1	ZINC000257211674	570761599	/nfs/dbraw/zinc/76/15/99/570761599.db2.gz	BZWNYEKUYYBPJE-QGZVFWFLSA-N	-1	0	385.420	1.424	40	0		GDABRM
Cc1nc(-c2cncc(C(=O)[O-])c2)cc([C@H]2CCN(S(=O)(=O)N(C)C)C2)n1	ZINC000257237454	570766963	/nfs/dbraw/zinc/76/69/63/570766963.db2.gz	HGNRSSOAXJNIMJ-LBPRGKRZSA-N	-1	0	391.453	1.141	40	0		GDABRM
CN1C(=O)CO[C@@H](C(=O)N(CC(=O)[O-])Cc2ccccc2)[C@H]1c1ccccc1	ZINC000257247440	570769721	/nfs/dbraw/zinc/76/97/21/570769721.db2.gz	IZAOCRFVIXLOLI-WOJBJXKFSA-N	-1	0	382.416	1.698	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@@H](c2cncc(-c3cccc(C(=O)[O-])c3)n2)C1	ZINC000257248411	570769909	/nfs/dbraw/zinc/76/99/09/570769909.db2.gz	JDOCTITZMZDICV-OAHLLOKOSA-N	-1	0	390.465	1.828	40	0		GDABRM
Cc1cc(C)nc(-n2[n-]c3[nH]c(CSc4ncccn4)cc(=O)c3c2=O)n1	ZINC000009926396	570777511	/nfs/dbraw/zinc/77/75/11/570777511.db2.gz	RFPHVUHZBMYGNE-UHFFFAOYSA-N	-1	0	381.421	1.496	40	0		GDABRM
CS(=O)(=O)N1CCN([C@H](C(=O)[O-])c2ccc(Br)cc2F)CC1	ZINC000568061798	650935748	/nfs/dbraw/zinc/93/57/48/650935748.db2.gz	RLLGIWDLKDBFQR-LBPRGKRZSA-N	-1	0	395.250	1.291	40	0		GDABRM
Cc1ccc(-n2c(O)c(C=C3SC(=O)N(C)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408815010	231117503	/nfs/dbraw/zinc/11/75/03/231117503.db2.gz	RBHSWSREWNMKBZ-LAPSENCUSA-N	-1	0	389.458	1.876	40	0		GDABRM
CC(=O)c1cc(C(=O)[O-])c(=O)n(-c2ccc(I)cc2)n1	ZINC000225966206	222703642	/nfs/dbraw/zinc/70/36/42/222703642.db2.gz	AFOFPXKXTGPEEH-UHFFFAOYSA-N	-1	0	384.129	1.738	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)s1	ZINC000225017863	531030318	/nfs/dbraw/zinc/03/03/18/531030318.db2.gz	ISHDXKRXKRVAEU-UHFFFAOYSA-N	-1	0	383.455	1.134	40	0		GDABRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1csc(Br)c1	ZINC000237039905	531041956	/nfs/dbraw/zinc/04/19/56/531041956.db2.gz	LJOLILUNCGKTDR-VIFPVBQESA-N	-1	0	389.271	1.906	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cccnc2-c2cncc(C(=O)[O-])c2)C1	ZINC000257206379	222754531	/nfs/dbraw/zinc/75/45/31/222754531.db2.gz	BDCQLRDEVSCJKU-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H]1c1cnc(-c2cncc(C(=O)[O-])c2)cn1	ZINC000257301592	222773195	/nfs/dbraw/zinc/77/31/95/222773195.db2.gz	RZBLJNWGFYOZLS-HNNXBMFYSA-N	-1	0	377.426	1.180	40	0		GDABRM
Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N[C@@H](C)CN1CCOCC1	ZINC000273771016	532169168	/nfs/dbraw/zinc/16/91/68/532169168.db2.gz	XNNCNIXCFTTYRE-JTQLQIEISA-N	-1	0	376.862	1.346	40	0		GDABRM
COc1ccc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])cc1	ZINC000008665507	221048879	/nfs/dbraw/zinc/04/88/79/221048879.db2.gz	LGZHZGSRBLJLIQ-CYMGCJPGSA-N	-1	0	376.434	1.340	40	0		GDABRM
COc1ccc(/C=C\C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@@H]3C(=O)[O-])cc1	ZINC000008665505	221048904	/nfs/dbraw/zinc/04/89/04/221048904.db2.gz	LGZHZGSRBLJLIQ-FBEIOJJZSA-N	-1	0	376.434	1.340	40	0		GDABRM
Cc1nonc1CC(=O)N1CC[C@@H](c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)C1	ZINC000012748163	221223632	/nfs/dbraw/zinc/22/36/32/221223632.db2.gz	MEDIONFNAKQUQF-GFCCVEGCSA-N	-1	0	384.440	1.982	40	0		GDABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCC(N)=O	ZINC000409130026	528196036	/nfs/dbraw/zinc/19/60/36/528196036.db2.gz	SYVGXKSYXLPTPD-WUXMJOGZSA-N	-1	0	380.378	1.070	40	0		GDABRM
COc1cccc(CC(=O)[N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1	ZINC000585272899	570241358	/nfs/dbraw/zinc/24/13/58/570241358.db2.gz	PGBULDJJIPVGES-UHFFFAOYSA-N	-1	0	392.458	1.656	40	0		GDABRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@H](C)O3)cn1	ZINC000585272120	570242374	/nfs/dbraw/zinc/24/23/74/570242374.db2.gz	LJELQKFYQYGKDL-JTQLQIEISA-N	-1	0	378.410	1.050	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)Cc3csc(C)n3)cc2NC1=O	ZINC000585280927	570249407	/nfs/dbraw/zinc/24/94/07/570249407.db2.gz	CWGMGWQIVKNWOJ-CYBMUJFWSA-N	-1	0	395.462	1.609	40	0		GDABRM
CCOCCCNc1ccc(S(=O)(=O)NCCCOCC)cc1C(=O)[O-]	ZINC000217642995	570319817	/nfs/dbraw/zinc/31/98/17/570319817.db2.gz	CEVDBHRBIFAIQI-UHFFFAOYSA-N	-1	0	388.486	1.928	40	0		GDABRM
COc1cccc(N(CC(=O)Nc2ccccc2C(=O)[O-])S(C)(=O)=O)c1	ZINC000044791359	570322028	/nfs/dbraw/zinc/32/20/28/570322028.db2.gz	PAXIGFDOGMDRRL-UHFFFAOYSA-N	-1	0	378.406	1.798	40	0		GDABRM
Cc1c2c(cc(=O)n1CCc1c[nH]cn1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000213026094	570424330	/nfs/dbraw/zinc/42/43/30/570424330.db2.gz	RITLUNXHVKDMTL-UHFFFAOYSA-O	-1	0	393.452	1.618	40	0		GDABRM
CCc1nnc(NC(=O)c2nc3c(nnn3Cc3ccc(C)cc3)c(=O)[n-]2)s1	ZINC000035315548	570469485	/nfs/dbraw/zinc/46/94/85/570469485.db2.gz	UYGNPIQVVORAMM-UHFFFAOYSA-N	-1	0	396.436	1.950	40	0		GDABRM
CC(C)(C)OC(=O)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)[O-]	ZINC000006646042	570485891	/nfs/dbraw/zinc/48/58/91/570485891.db2.gz	CBJKNTGILVDNCZ-ZDUSSCGKSA-N	-1	0	380.397	1.214	40	0		GDABRM
CC(C)Nc1nc(CN(C)S(=O)(=O)c2ccc(F)cc2)ncc1C(=O)[O-]	ZINC000049469588	570663967	/nfs/dbraw/zinc/66/39/67/570663967.db2.gz	HFGSOHYQOMBJOA-UHFFFAOYSA-N	-1	0	382.417	1.955	40	0		GDABRM
COC(=O)c1cccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c1	ZINC000223291548	222630127	/nfs/dbraw/zinc/63/01/27/222630127.db2.gz	HNQWFVBYDRNVCT-UHFFFAOYSA-N	-1	0	384.439	1.720	40	0		GDABRM
O=C([O-])c1cnc(C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)[nH]c1=O	ZINC000224968510	222666395	/nfs/dbraw/zinc/66/63/95/222666395.db2.gz	FXDOINZPUZTGRO-UHFFFAOYSA-N	-1	0	381.385	1.176	40	0		GDABRM
COc1cc([N-]S(=O)(=O)c2nnc(NC(C)=O)s2)c(OC)cc1Cl	ZINC000036182966	530613698	/nfs/dbraw/zinc/61/36/98/530613698.db2.gz	YPQAPGVLIWZXHB-UHFFFAOYSA-N	-1	0	392.846	1.968	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCc2cccc(OC)c2)s1	ZINC000225446225	531030080	/nfs/dbraw/zinc/03/00/80/531030080.db2.gz	RJPDMMGJXKGIMO-UHFFFAOYSA-N	-1	0	384.483	1.806	40	0		GDABRM
CCOCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2cccc(C)c2)s1	ZINC000225648632	531030696	/nfs/dbraw/zinc/03/06/96/531030696.db2.gz	VPCCLCGVCVWCMD-UHFFFAOYSA-N	-1	0	384.483	1.804	40	0		GDABRM
O=C([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000013320701	221265537	/nfs/dbraw/zinc/26/55/37/221265537.db2.gz	WGOLIZUAAFLXMG-QXGSTGNESA-N	-1	0	386.448	1.806	40	0		GDABRM
COc1ccc(C(=O)N2CCN(C)CC2)cc1[N-]S(=O)(=O)c1ccccc1	ZINC000067124308	222140605	/nfs/dbraw/zinc/14/06/05/222140605.db2.gz	ZANIIUHUNZTWQZ-UHFFFAOYSA-N	-1	0	389.477	1.884	40	0		GDABRM
COc1cccc2[nH]c(C[C@H]3CN(S(C)(=O)=O)CC[C@H]3CC(=O)[O-])nc21	ZINC000514289633	560032182	/nfs/dbraw/zinc/03/21/82/560032182.db2.gz	XHIIMHXPYZOJIT-RYUDHWBXSA-N	-1	0	381.454	1.486	40	0	biogenic,in-vitro	GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cccnn1)O[C@@H](C(C)C)C(=O)N2	ZINC000585281586	570248014	/nfs/dbraw/zinc/24/80/14/570248014.db2.gz	LRVFWDLEQWYFRE-HNNXBMFYSA-N	-1	0	390.421	1.259	40	0		GDABRM
Cc1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C(C)C)O3)on1	ZINC000585280919	570249390	/nfs/dbraw/zinc/24/93/90/570249390.db2.gz	CQKWOWQHJYOANO-OAHLLOKOSA-N	-1	0	393.421	1.766	40	0		GDABRM
CCc1c(C)nc2cc([C@H]3CCCN(C(=O)CCn4cncn4)C3)[n-]n2c1=O	ZINC000100138404	570267092	/nfs/dbraw/zinc/26/70/92/570267092.db2.gz	VCTLSIQTBIUSSF-AWEZNQCLSA-N	-1	0	383.456	1.694	40	0		GDABRM
Cc1nc(C(N)=S)sc1C([O-])=CC(=O)C(=O)Nc1nc2ccccc2[nH]1	ZINC000102966769	570293759	/nfs/dbraw/zinc/29/37/59/570293759.db2.gz	DQIWPMIVMJNDEG-UHFFFAOYSA-N	-1	0	387.446	1.743	40	0		GDABRM
O=C([O-])c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)NC[C@H]2CCCO2)c1	ZINC000217500587	570317516	/nfs/dbraw/zinc/31/75/16/570317516.db2.gz	FJBODNGNGMLZAX-UONOGXRCSA-N	-1	0	384.454	1.433	40	0		GDABRM
COc1ccc(C(=O)/C=c2/[nH]c(=O)/c(=C/c3ccc(C(=O)[O-])cc3)s2)cc1	ZINC000102971193	570384411	/nfs/dbraw/zinc/38/44/11/570384411.db2.gz	VHVMFSLELBXCOI-IWSCKCOWSA-N	-1	0	381.409	1.635	40	0		GDABRM
CC(=O)[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1	ZINC000005832501	570458197	/nfs/dbraw/zinc/45/81/97/570458197.db2.gz	HMYGTBVZGWKXPF-RMKNXTFCSA-N	-1	0	393.446	1.631	40	0		GDABRM
O=C([O-])c1cccnc1S[C@H]1CC(=O)N(Cc2ccc3c(c2)OCO3)C1=O	ZINC000009870280	570561645	/nfs/dbraw/zinc/56/16/45/570561645.db2.gz	AUGVEXWMFUBPQX-AWEZNQCLSA-N	-1	0	386.385	1.928	40	0		GDABRM
CS(=O)(=O)N1C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)Oc2ccccc21	ZINC000038756117	570582673	/nfs/dbraw/zinc/58/26/73/570582673.db2.gz	VXLXEQDQHBOYRP-OAHLLOKOSA-N	-1	0	376.390	1.551	40	0		GDABRM
COCc1nn2c(nnc3c2ccn([C@@H](C)C(=O)[O-])c3=O)c1-c1ccccc1	ZINC000040391212	570600105	/nfs/dbraw/zinc/60/01/05/570600105.db2.gz	SZIYYZNJKMXWMR-NSHDSACASA-N	-1	0	379.376	1.898	40	0		GDABRM
CCN(c1ccc(Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1)S(C)(=O)=O	ZINC000226106268	570641575	/nfs/dbraw/zinc/64/15/75/570641575.db2.gz	RNUUGKMRIALPBN-UHFFFAOYSA-N	-1	0	379.438	1.082	40	0		GDABRM
COCCO[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1	ZINC000509051329	648265496	/nfs/dbraw/zinc/26/54/96/648265496.db2.gz	MUXFHIALQORKCA-GFCCVEGCSA-N	-1	0	377.846	1.854	40	0		GDABRM
COc1ccc(CCNc2ccc(S(N)(=O)=O)cc2C(=O)[O-])cc1OC	ZINC000217535772	222579479	/nfs/dbraw/zinc/57/94/79/222579479.db2.gz	NBJSEXMOHHAEEF-UHFFFAOYSA-N	-1	0	380.422	1.704	40	0		GDABRM
O=C([O-])CN1C(=O)N/C(=C/c2ccc(OCC(=O)Nc3ccccc3)cc2)C1=O	ZINC000408595586	231073267	/nfs/dbraw/zinc/07/32/67/231073267.db2.gz	XLCOBELGIRQZLM-MHWRWJLKSA-N	-1	0	395.371	1.681	40	0		GDABRM
COc1ccc([N-]S(=O)(=O)c2nnc(NC(=O)C(C)C)s2)c(OC)c1	ZINC000225662877	222689318	/nfs/dbraw/zinc/68/93/18/222689318.db2.gz	UVPXEQYMOTYQIK-UHFFFAOYSA-N	-1	0	386.455	1.951	40	0		GDABRM
CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1cc(Br)cs1	ZINC000180162082	530759058	/nfs/dbraw/zinc/75/90/58/530759058.db2.gz	QOXVPKWHHKTOHG-VIFPVBQESA-N	-1	0	389.271	1.906	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)s1	ZINC000223229690	531028495	/nfs/dbraw/zinc/02/84/95/531028495.db2.gz	SABDGHKRDMEYNM-UHFFFAOYSA-N	-1	0	381.439	1.424	40	0		GDABRM
O=C([O-])[C@@H]1CN(S(=O)(=O)Cc2ccc(Br)c(F)c2)CCO1	ZINC000562968110	531792733	/nfs/dbraw/zinc/79/27/33/531792733.db2.gz	VUBGZZVDZXVNHB-NSHDSACASA-N	-1	0	382.207	1.203	40	0		GDABRM
CN([C@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575426248	532014067	/nfs/dbraw/zinc/01/40/67/532014067.db2.gz	PMUAIHPLZQTHMR-CYBMUJFWSA-N	-1	0	381.859	1.236	40	0		GDABRM
CCN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575425058	532013672	/nfs/dbraw/zinc/01/36/72/532013672.db2.gz	DNQNIKHTHKBQOX-AWEZNQCLSA-N	-1	0	395.886	1.626	40	0		GDABRM
CCc1ccc(S(=O)(=O)NCC2(S(C)(=O)=O)CCCC2)cc1C(=O)[O-]	ZINC000285283043	532060630	/nfs/dbraw/zinc/06/06/30/532060630.db2.gz	BYWUOLVZIXHXRF-UHFFFAOYSA-N	-1	0	389.495	1.583	40	0		GDABRM
O=C([O-])c1ccc(S(=O)(=O)NC[C@@H]2CCCS(=O)(=O)C2)c(Cl)c1	ZINC000287348345	532210587	/nfs/dbraw/zinc/21/05/87/532210587.db2.gz	XHZOEULKFZPMAY-VIFPVBQESA-N	-1	0	381.859	1.141	40	0		GDABRM
CCOc1c(I)cc(/C=C2/NC(=O)[N-]C2=O)cc1OC	ZINC000015013171	221326683	/nfs/dbraw/zinc/32/66/83/221326683.db2.gz	BMVZHVCGUDTVAG-WEVVVXLNSA-N	-1	0	388.161	1.879	40	0		GDABRM
CC(=O)Nc1[n-]n(-c2ccccc2)c(=O)c1Sc1nnnn1-c1ccccc1	ZINC000016321062	221360184	/nfs/dbraw/zinc/36/01/84/221360184.db2.gz	ROCLECFIMRMWLZ-OAHLLOKOSA-N	-1	0	393.432	1.619	40	0		GDABRM
O=C([O-])C[C@@H]1CCN(C(=O)C2CCC2)C[C@@H]1CC[NH+]1CCC(C(=O)[O-])CC1	ZINC000020462826	221490372	/nfs/dbraw/zinc/49/03/72/221490372.db2.gz	QCXYWQSFTBDEEZ-IRXDYDNUSA-N	-1	0	380.485	1.913	40	0	biogenic,in-vitro	GDABRM
CN(C)c1nc(N2CCOCC2)ncc1[N-]S(=O)(=O)c1cccc(Cl)c1	ZINC000224347329	136206965	/nfs/dbraw/zinc/20/69/65/136206965.db2.gz	HHFIJDWVENVTLV-UHFFFAOYSA-N	-1	0	397.888	1.833	40	0		GDABRM
Cn1c(=O)sc2cc(S(=O)(=O)[N-]C(=O)c3ccc(F)cc3F)ccc21	ZINC000585273148	570241707	/nfs/dbraw/zinc/24/17/07/570241707.db2.gz	QZWWZLMUXMPISQ-UHFFFAOYSA-N	-1	0	384.385	1.997	40	0		GDABRM
O=C([O-])c1ccc(NCCc2ccccc2)c(S(=O)(=O)NCCCO)c1	ZINC000217462203	570316323	/nfs/dbraw/zinc/31/63/23/570316323.db2.gz	OELVZEHEWYCYSX-UHFFFAOYSA-N	-1	0	378.450	1.700	40	0		GDABRM
CNC(=O)c1ccc(OC)c([N-]S(=O)(=O)c2cc(C(=O)OC)ccc2C)c1	ZINC000223839795	570486582	/nfs/dbraw/zinc/48/65/82/570486582.db2.gz	BGISCVCUNOHQJT-UHFFFAOYSA-N	-1	0	392.433	1.951	40	0		GDABRM
CSc1nnc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)s1	ZINC000225092078	531029916	/nfs/dbraw/zinc/02/99/16/531029916.db2.gz	MIMPFAOBMBWTMK-UHFFFAOYSA-N	-1	0	384.464	1.714	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@H](Cc2cnc(-c3ccccc3C(=O)[O-])cn2)C1	ZINC000257256302	222765592	/nfs/dbraw/zinc/76/55/92/222765592.db2.gz	KKWLMXSEAZXZQM-CYBMUJFWSA-N	-1	0	390.465	1.513	40	0		GDABRM
CN([C@@]1(C)CCS(=O)(=O)C1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl	ZINC000575426249	532014199	/nfs/dbraw/zinc/01/41/99/532014199.db2.gz	PMUAIHPLZQTHMR-ZDUSSCGKSA-N	-1	0	381.859	1.236	40	0		GDABRM
CC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)[O-]	ZINC000004222260	220694958	/nfs/dbraw/zinc/69/49/58/220694958.db2.gz	ASFZDLMITXIMLV-DVXYHTCGSA-N	-1	0	382.482	1.992	40	0	biogenic,in-vitro	GDABRM
COC(=O)c1ccc2c(c1)[C@H]1c3sc(=O)[nH]c3S[C@H](C(=O)[O-])[C@@H]1C(=O)O2	ZINC000004291881	220701916	/nfs/dbraw/zinc/70/19/16/220701916.db2.gz	OZSFXFHRKLQVDC-KKZNHRDASA-N	-1	0	393.398	1.449	40	0		GDABRM
Cc1cccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3C(=O)COCC(=O)[O-])n2)c1	ZINC000015675878	221338949	/nfs/dbraw/zinc/33/89/49/221338949.db2.gz	QJCXYUQHOFXNLE-HNNXBMFYSA-N	-1	0	397.391	1.495	40	0	biogenic,in-vitro	GDABRM
CC(C)(C)OC(=O)N([C@@H](CC(=O)[O-])C(=O)O[C@@H]1CC(=O)NC1=O)C(C)(C)C	ZINC000064219606	222070697	/nfs/dbraw/zinc/07/06/97/222070697.db2.gz	RJWYZHDRZJNCSZ-VHSXEESVSA-N	-1	0	386.401	1.664	40	0		GDABRM
C[C@@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217776	222457083	/nfs/dbraw/zinc/45/70/83/222457083.db2.gz	ADTIUUDHIMKLCW-MNOVXSKESA-N	-1	0	380.470	1.344	40	0		GDABRM
COCC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](Cc2nc3c(cccc3OC)[nH]2)C1	ZINC000514289280	560032808	/nfs/dbraw/zinc/03/28/08/560032808.db2.gz	OZRJOLUQJDCEIS-STQMWFEESA-N	-1	0	375.425	1.700	40	0	biogenic,in-vitro	GDABRM
CC(C)[C@H](C(=O)N1CCC[C@H]1C(=O)[O-])N(C)C(=O)[C@H](O)Cc1ccccc1	ZINC000035464612	560081561	/nfs/dbraw/zinc/08/15/61/560081561.db2.gz	QXLPHJAUIZITEO-GVDBMIGSSA-N	-1	0	376.453	1.149	40	0	biogenic,in-vitro	GDABRM
O=C([O-])[C@@H](CNC(=O)c1ccc(C(=O)c2ccccc2)cc1)N1C(=O)C=CC1=O	ZINC000006344057	560205529	/nfs/dbraw/zinc/20/55/29/560205529.db2.gz	INMNTWMKOGDRMG-MRXNPFEDSA-N	-1	0	392.367	1.026	40	0	in-vitro	GDABRM
CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000004899822	570416384	/nfs/dbraw/zinc/41/63/84/570416384.db2.gz	XFVWEUYJKZJINA-ZFWWWQNUSA-N	-1	0	393.440	1.033	40	0		GDABRM
Cc1cc(N2CC[C@](O)(CN(C)C(=O)CCCC(=O)[O-])C2)c2cnccc2n1	ZINC000257240732	570767987	/nfs/dbraw/zinc/76/79/87/570767987.db2.gz	HUXNGPHUYCBXQD-FQEVSTJZSA-N	-1	0	386.452	1.593	40	0		GDABRM
CN1C(=O)CO[C@@H](C(=O)N(CCc2ccccc2)CC(=O)[O-])[C@H]1c1ccccc1	ZINC000257243495	570768794	/nfs/dbraw/zinc/76/87/94/570768794.db2.gz	IHGRNFVXWOISPL-NHCUHLMSSA-N	-1	0	396.443	1.741	40	0		GDABRM
O=C(Cc1ccccn1)N1CCC[C@H](C2=Nc3ccccc3S(=O)(=O)[N-]2)C1	ZINC000019375652	570982067	/nfs/dbraw/zinc/98/20/67/570982067.db2.gz	GFRONZXGCAYDSX-AWEZNQCLSA-N	-1	0	384.461	1.885	40	0		GDABRM
O=C([O-])C1(C(=O)N2CCCN(S(=O)(=O)c3ccc(Cl)s3)CC2)CC1	ZINC000563719276	650738232	/nfs/dbraw/zinc/73/82/32/650738232.db2.gz	XPSLYKZYSQGBEL-UHFFFAOYSA-N	-1	0	392.886	1.489	40	0		GDABRM
CC1(C)CN(S(=O)(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](C(F)(F)F)O1	ZINC000291949507	962904227	/nfs/dbraw/zinc/90/42/27/962904227.db2.gz	QIKUXVJZEQZDTH-GFCCVEGCSA-N	-1	0	397.371	1.880	40	0		GDABRM
COc1ccc(CCNS(=O)(=O)c2ccc(NCCO)c(C(=O)[O-])c2)cc1	ZINC000217618997	222580007	/nfs/dbraw/zinc/58/00/07/222580007.db2.gz	OAHLYOGTABRXQW-UHFFFAOYSA-N	-1	0	394.449	1.319	40	0		GDABRM
Cc1ccc(-n2c(O)c(C=C3SC(=O)N(C)C3=O)c(=O)[n-]c2=S)cc1C	ZINC000408815012	231117633	/nfs/dbraw/zinc/11/76/33/231117633.db2.gz	RBHSWSREWNMKBZ-WBOGTDJTSA-N	-1	0	389.458	1.876	40	0		GDABRM
CCN1C(=O)N/C(=C/c2cc(OC)c(OCC(=O)[O-])cc2Br)C1=O	ZINC000006951265	530543891	/nfs/dbraw/zinc/54/38/91/530543891.db2.gz	NSRUMUJOXDWIMM-ONNFQVAWSA-N	-1	0	399.197	1.834	40	0		GDABRM
O=C([O-])CN1C(=O)[C@@H]2Sc3[nH]c(=O)sc3[C@H](c3cccs3)[C@H]2C1=O	ZINC000101174875	530823880	/nfs/dbraw/zinc/82/38/80/530823880.db2.gz	AZCYYLDNXVAUQI-NQMVMOMDSA-N	-1	0	382.444	1.174	40	0		GDABRM
CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1	ZINC000262434392	531120283	/nfs/dbraw/zinc/12/02/83/531120283.db2.gz	OUZJONNMYIHLAF-JTQLQIEISA-N	-1	0	395.886	1.370	40	0		GDABRM
CCN(CC)c1cc(N2CCN(C(=O)OC(C)(C)C)C[C@H]2C(=O)[O-])ncn1	ZINC000079440159	136173064	/nfs/dbraw/zinc/17/30/64/136173064.db2.gz	QHJKHHHXFPGDSR-ZDUSSCGKSA-N	-1	0	379.461	1.833	40	0		GDABRM
C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217772	570269176	/nfs/dbraw/zinc/26/91/76/570269176.db2.gz	ADTIUUDHIMKLCW-QWRGUYRKSA-N	-1	0	380.470	1.344	40	0		GDABRM
O=C(C1CC1)N1CCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100234896	570269675	/nfs/dbraw/zinc/26/96/75/570269675.db2.gz	RTIRTVAHVSWCPR-KRWDZBQOSA-N	-1	0	395.463	1.803	40	0		GDABRM
O=C(Nc1nnc(S(=O)(=O)[N-]CCCn2ccnc2)s1)c1ccccc1	ZINC000222547335	570414045	/nfs/dbraw/zinc/41/40/45/570414045.db2.gz	AYTBJZVGFBRTHG-UHFFFAOYSA-N	-1	0	392.466	1.356	40	0		GDABRM
COc1cccc(OC)c1C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1	ZINC000005383102	570436986	/nfs/dbraw/zinc/43/69/86/570436986.db2.gz	SBEAIGJBHZGGRQ-UHFFFAOYSA-N	-1	0	378.406	1.781	40	0		GDABRM
CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])cc1	ZINC000035898261	570552790	/nfs/dbraw/zinc/55/27/90/570552790.db2.gz	ZAICVBVBOXRORG-QPSCCSFWSA-N	-1	0	396.465	1.580	40	0		GDABRM
O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000035898202	570552799	/nfs/dbraw/zinc/55/27/99/570552799.db2.gz	SBKWUPVMXCVGAR-WTTBNOFXSA-N	-1	0	390.461	1.042	40	0		GDABRM
O=C([O-])[C@@H]1CC(c2ccc3c(c2)CCCC3)=NN1/C=c1\sc2ncnn2c1=O	ZINC000256028215	570758332	/nfs/dbraw/zinc/75/83/32/570758332.db2.gz	YZBUZQISXJQYJT-HVVQPJKBSA-N	-1	0	395.444	1.050	40	0		GDABRM
CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1	ZINC000006490184	570925981	/nfs/dbraw/zinc/92/59/81/570925981.db2.gz	OCGUGOBSTRYBOF-RFGFWPKPSA-N	-1	0	378.429	1.106	40	0		GDABRM
CN(C)CC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1	ZINC000225400627	531030107	/nfs/dbraw/zinc/03/01/07/531030107.db2.gz	NEPFQINVCQJQCL-UHFFFAOYSA-N	-1	0	389.890	1.284	40	0		GDABRM
CN(C)S(=O)(=O)N1CC[C@@H](Cc2cc(-c3cccc(C(=O)[O-])c3)ncn2)C1	ZINC000257210683	222755705	/nfs/dbraw/zinc/75/57/05/222755705.db2.gz	BVRUERBWIJIIOQ-ZDUSSCGKSA-N	-1	0	390.465	1.513	40	0		GDABRM
CS(=O)(=O)CC1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)CC1	ZINC000326975896	532079183	/nfs/dbraw/zinc/07/91/83/532079183.db2.gz	IIORLJGCFPUBOL-UHFFFAOYSA-N	-1	0	395.886	1.484	40	0		GDABRM
O=C([O-])COCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)ccc(-c3ccccc3)c12	ZINC000015672337	221338441	/nfs/dbraw/zinc/33/84/41/221338441.db2.gz	WSKQIAHRQINPHA-GOEBONIOSA-N	-1	0	382.416	1.562	40	0	biogenic,in-vitro	GDABRM
COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])ccc1O	ZINC000017255090	221382315	/nfs/dbraw/zinc/38/23/15/221382315.db2.gz	CZTRBMMRFGMOKC-QVGSTAJNSA-N	-1	0	392.433	1.046	40	0		GDABRM
O=C([O-])[C@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)[C@H]2CC[C@@H]1O2	ZINC000017080572	221378890	/nfs/dbraw/zinc/37/88/90/221378890.db2.gz	OYNBLHHNRRTGQJ-FXUDXRNXSA-N	-1	0	394.449	1.288	40	0		GDABRM
CC(=O)N1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000019017250	221394328	/nfs/dbraw/zinc/39/43/28/221394328.db2.gz	JSMGWPSQRBVYKI-KRWDZBQOSA-N	-1	0	383.452	1.803	40	0		GDABRM
Cc1ccc(=O)n(CC(=O)N[C@@H](C)c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)n1	ZINC000019131059	221397698	/nfs/dbraw/zinc/39/76/98/221397698.db2.gz	QWOHUIJBEGUJIX-LBPRGKRZSA-N	-1	0	384.440	1.475	40	0		GDABRM
Cn1ncc(NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c1C(=O)[O-]	ZINC000036611213	221860116	/nfs/dbraw/zinc/86/01/16/221860116.db2.gz	YAUIEZWLBYVQPW-UHFFFAOYSA-N	-1	0	384.392	1.913	40	0		GDABRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCC(=O)OC	ZINC000409129255	528195834	/nfs/dbraw/zinc/19/58/34/528195834.db2.gz	FWKNSGBWDAKXRP-NTUHNPAUSA-N	-1	0	395.389	1.758	40	0		GDABRM
CC[C@H]1Oc2ccc(S(=O)(=O)[N-]C(=O)c3cn(CC)nc3C)cc2NC1=O	ZINC000585281675	570247910	/nfs/dbraw/zinc/24/79/10/570247910.db2.gz	OVGKVOYJEDZFHS-CQSZACIVSA-N	-1	0	392.437	1.440	40	0		GDABRM
C[C@H](NC(=O)C[C@@H]1CCS(=O)(=O)C1)c1cc(=O)n2[n-]c(C(C)(C)C)cc2n1	ZINC000100217753	570269098	/nfs/dbraw/zinc/26/90/98/570269098.db2.gz	QQNWAKWTSRMIIL-RYUDHWBXSA-N	-1	0	394.497	1.734	40	0		GDABRM
Cc1ccc([C@@H]2c3sc(=O)[nH]c3S[C@H]3C(=O)N(CC(=O)[O-])C(=O)[C@@H]32)cc1	ZINC000100864207	570278665	/nfs/dbraw/zinc/27/86/65/570278665.db2.gz	NIYGOCRPJPNRPP-DMDPSCGWSA-N	-1	0	390.442	1.421	40	0		GDABRM
Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)[N-]Cc3cccnc3)s2)c1	ZINC000225827208	570622151	/nfs/dbraw/zinc/62/21/51/570622151.db2.gz	BMFYIKKJOYFVLD-UHFFFAOYSA-N	-1	0	389.462	1.972	40	0		GDABRM
O=C([O-])c1cccc(CC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)c1	ZINC000262149206	961500095	/nfs/dbraw/zinc/50/00/95/961500095.db2.gz	JHNCCBYMDKYTAS-HZPDHXFCSA-N	-1	0	381.450	1.122	40	0		GDABRM
CCn1cc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)n1	ZINC000006490171	230848590	/nfs/dbraw/zinc/84/85/90/230848590.db2.gz	PWENXHQPXHWCEF-QPSCCSFWSA-N	-1	0	390.440	1.392	40	0		GDABRM
COc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(OC)cc2OC)cc1	ZINC000224853703	222663233	/nfs/dbraw/zinc/66/32/33/222663233.db2.gz	VQKIBJVPCVZWJM-UHFFFAOYSA-N	-1	0	381.406	1.992	40	0		GDABRM
CCC(=O)Nc1nnc(S(=O)(=O)[N-]CCCN(C)c2ccccc2)s1	ZINC000222877672	531028543	/nfs/dbraw/zinc/02/85/43/531028543.db2.gz	LTJVUSOSDZNAQO-UHFFFAOYSA-N	-1	0	383.499	1.691	40	0		GDABRM
CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc3[nH]c(=O)oc3c2)nc1C	ZINC000223313622	531029093	/nfs/dbraw/zinc/02/90/93/531029093.db2.gz	SUMMTLSPZALSSR-UHFFFAOYSA-N	-1	0	383.407	1.864	40	0		GDABRM
CC(C)OCCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1	ZINC000224997679	531029935	/nfs/dbraw/zinc/02/99/35/531029935.db2.gz	BJVJIOZUYKIELS-UHFFFAOYSA-N	-1	0	384.483	1.884	40	0		GDABRM
O=C([O-])C[C@@H](NS(=O)(=O)c1cnn(C2CCOCC2)c1)c1ccsc1	ZINC000274895084	532240247	/nfs/dbraw/zinc/24/02/47/532240247.db2.gz	GXMCPYSZQISEGH-CQSZACIVSA-N	-1	0	385.467	1.790	40	0		GDABRM
COC(=O)N1N[C@H]([C@H](C(=O)[O-])N2C(=O)c3ccccc3C2=O)SC1(C)C	ZINC000001593815	212249750	/nfs/dbraw/zinc/24/97/50/212249750.db2.gz	GMVCKJRSLHNPGN-MNOVXSKESA-N	-1	0	379.394	1.118	40	0		GDABRM
NS(=O)(=O)c1ccc(CNC(=S)N[C@H](C(=O)[O-])c2ccccc2)cc1	ZINC000006530050	220939591	/nfs/dbraw/zinc/93/95/91/220939591.db2.gz	IFBQXVBHXOPDRT-AWEZNQCLSA-N	-1	0	379.463	1.124	40	0		GDABRM
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccccc2I)[C@H]2C=C[C@@H]1O2	ZINC000007077459	220985445	/nfs/dbraw/zinc/98/54/45/220985445.db2.gz	HAQIGTBNXIJVGQ-RHYQMDGZSA-N	-1	0	385.157	1.884	40	0		GDABRM
Cc1c(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000016778918	221370510	/nfs/dbraw/zinc/37/05/10/221370510.db2.gz	LCGQBLITHISKDL-MRXNPFEDSA-N	-1	0	398.419	1.649	40	0		GDABRM
CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)CO3)s1	ZINC000019022991	221395356	/nfs/dbraw/zinc/39/53/56/221395356.db2.gz	CSWHNRATEAROIO-UHFFFAOYSA-N	-1	0	382.423	1.258	40	0		GDABRM
Cc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2N(C)C)cc1C	ZINC000224346359	136206819	/nfs/dbraw/zinc/20/68/19/136206819.db2.gz	KBLGSWNPQULSKR-UHFFFAOYSA-N	-1	0	391.497	1.797	40	0		GDABRM
Cc1ccc(CN(Cc2nc(N)cc(SCC(=O)[O-])n2)S(C)(=O)=O)cc1	ZINC000049470174	221998524	/nfs/dbraw/zinc/99/85/24/221998524.db2.gz	IRNLLRCQNWVAQG-UHFFFAOYSA-N	-1	0	396.494	1.506	40	0		GDABRM
CC(C)NC(=O)c1ccc2nnn(OCC(=O)Nc3ccc(C(=O)[O-])cc3)c2c1	ZINC000067321370	222144769	/nfs/dbraw/zinc/14/47/69/222144769.db2.gz	LGVXZAISCNDDBT-UHFFFAOYSA-N	-1	0	397.391	1.335	40	0		GDABRM
Cc1nnc([N-]c2cc([C@H]3CCCN3S(=O)(=O)N(C)C)nc(C)n2)s1	ZINC000072360308	222241350	/nfs/dbraw/zinc/24/13/50/222241350.db2.gz	DWRCPAAJBVFRPZ-GFCCVEGCSA-N	-1	0	383.503	1.632	40	0		GDABRM
CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2	ZINC000096157063	222393064	/nfs/dbraw/zinc/39/30/64/222393064.db2.gz	HHZZNSCFQPBKKA-SFHVURJKSA-N	-1	0	396.447	1.800	40	0		GDABRM
CCn1cc(C(=O)[N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)[C@@H](C)O3)c(C)n1	ZINC000585274511	570243920	/nfs/dbraw/zinc/24/39/20/570243920.db2.gz	ZIQCGRMTGHFFAT-LLVKDONJSA-N	-1	0	392.437	1.358	40	0		GDABRM
CCOc1ccc(N2C(=O)C[C@H](SC[C@@H](NC(C)=O)C(=O)[O-])C2=O)cc1	ZINC000101273643	570282186	/nfs/dbraw/zinc/28/21/86/570282186.db2.gz	CZMOXSLQDAJCMH-KGLIPLIRSA-N	-1	0	380.422	1.040	40	0		GDABRM
CC(=O)Nc1nnc(S(=O)(=O)[N-]CC2(c3ccccc3)CCOCC2)s1	ZINC000223766555	570483351	/nfs/dbraw/zinc/48/33/51/570483351.db2.gz	ZPJFHCBKOOAQTD-UHFFFAOYSA-N	-1	0	396.494	1.523	40	0		GDABRM
O=C([O-])c1cnc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)[nH]c1=O	ZINC000224969172	570540485	/nfs/dbraw/zinc/54/04/85/570540485.db2.gz	NBIBQDDTVLYUTD-SNVBAGLBSA-N	-1	0	381.385	1.176	40	0		GDABRM
CN(C)S(=O)(=O)N1CCC[C@H](c2cncc(-c3cncc(C(=O)[O-])c3)n2)C1	ZINC000257201833	570760125	/nfs/dbraw/zinc/76/01/25/570760125.db2.gz	AJEXCHAFSCPSAU-LBPRGKRZSA-N	-1	0	391.453	1.223	40	0		GDABRM
Cc1cc(-c2cncc(C(=O)[O-])c2)nc([C@@H]2CCCN2S(=O)(=O)N(C)C)n1	ZINC000257213232	570761733	/nfs/dbraw/zinc/76/17/33/570761733.db2.gz	CGSBCRHEGJQCLJ-HNNXBMFYSA-N	-1	0	391.453	1.489	40	0		GDABRM
CC(C)C(=O)Nc1nnc(S(=O)(=O)[N-]Cc2ccc3c(c2)OCO3)s1	ZINC000223212037	531028461	/nfs/dbraw/zinc/02/84/61/531028461.db2.gz	BYTYXDPFFXHVHG-UHFFFAOYSA-N	-1	0	384.439	1.340	40	0		GDABRM
CCSc1nnc([N-]S(=O)(=O)c2nnc(NC(=O)CC)s2)s1	ZINC000223172290	531028470	/nfs/dbraw/zinc/02/84/70/531028470.db2.gz	LZNXHJNXLKAGHR-UHFFFAOYSA-N	-1	0	380.502	1.651	40	0		GDABRM
COCC[N-]S(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2)s1	ZINC000223500731	531028874	/nfs/dbraw/zinc/02/88/74/531028874.db2.gz	SOFDWSQWXDELSF-UHFFFAOYSA-N	-1	0	376.847	1.369	40	0		GDABRM
CS(=O)(=O)Cc1ccc(Cl)cc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1	ZINC000262434396	531120170	/nfs/dbraw/zinc/12/01/70/531120170.db2.gz	OUZJONNMYIHLAF-SNVBAGLBSA-N	-1	0	395.886	1.370	40	0		GDABRM
NC(=O)[C@H]1CC(=O)N(c2cc(Br)c([O-])c(Br)c2)C1	ZINC000057327777	212131292	/nfs/dbraw/zinc/13/12/92/212131292.db2.gz	OULALACNCZAGDY-YFKPBYRVSA-N	-1	0	378.020	1.755	40	0		GDABRM
CCOCCCNC(=O)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000013086436	221259992	/nfs/dbraw/zinc/25/99/92/221259992.db2.gz	QWHNDCIGYYPMNC-UHFFFAOYSA-N	-1	0	390.831	1.785	40	0		GDABRM
O=C([O-])c1ccc(CN2Cc3nc[nH]c3C[C@H]2C(=O)NCc2ccco2)cc1	ZINC000015676294	221340572	/nfs/dbraw/zinc/34/05/72/221340572.db2.gz	MAEGPRAMJANJQY-SFHVURJKSA-N	-1	0	380.404	1.944	40	0	biogenic,in-vitro	GDABRM
Cc1c(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c(=O)n(-c2ccccc2)n1C	ZINC000016778920	221371147	/nfs/dbraw/zinc/37/11/47/221371147.db2.gz	LCGQBLITHISKDL-INIZCTEOSA-N	-1	0	398.419	1.649	40	0		GDABRM
Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])CC1	ZINC000017077088	221376737	/nfs/dbraw/zinc/37/67/37/221376737.db2.gz	OAFVEHMMPYZIOD-TWMKSMIVSA-N	-1	0	376.840	1.951	40	0		GDABRM
CC(C)[C@@H](NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc(F)cc1)C(=O)[O-]	ZINC000041058353	221937185	/nfs/dbraw/zinc/93/71/85/221937185.db2.gz	ZFERFIDJVFWNJK-LSDHHAIUSA-N	-1	0	386.445	1.594	40	0		GDABRM
CS(=O)(=O)N(Cc1ccc(Cl)cc1)Cc1ncc(CC(=O)[O-])c(=O)[nH]1	ZINC000049468644	221999205	/nfs/dbraw/zinc/99/92/05/221999205.db2.gz	RKJCXYYRFHOSQE-UHFFFAOYSA-N	-1	0	385.829	1.012	40	0		GDABRM
COc1ccc(NC(=O)CN2C(=O)S[C@H]([C@H]3SC(=O)[N-]C3=O)C2=O)cc1	ZINC000065090505	222098987	/nfs/dbraw/zinc/09/89/87/222098987.db2.gz	LOGMKXVTFRKHHW-GHMZBOCLSA-N	-1	0	395.418	1.049	40	0		GDABRM
Cc1c2c(cc(=O)n1CCN1CCOCC1)[n-]n(-c1ccc(Cl)cc1)c2=O	ZINC000059707490	222057146	/nfs/dbraw/zinc/05/71/46/222057146.db2.gz	ZHUFMYJPSVVHTD-UHFFFAOYSA-N	-1	0	388.855	1.775	40	0		GDABRM
Cc1cc2c(cc1S(=O)(=O)[N-]C(=O)c1cnc(C)nc1C)O[C@@H](C)C(=O)N2	ZINC000585271028	570239802	/nfs/dbraw/zinc/23/98/02/570239802.db2.gz	FMADXGNBMPPVIP-JTQLQIEISA-N	-1	0	390.421	1.240	40	0		GDABRM
CCOC(=O)c1cn(C)c2c1C([O-])=C(C(=O)OCC)CCN2C(=O)OCC	ZINC000001567282	570264851	/nfs/dbraw/zinc/26/48/51/570264851.db2.gz	XGLGRPXTVFKPSY-NSHDSACASA-N	-1	0	380.397	1.930	40	0		GDABRM
O=C(C1CC1)N1CCC[C@@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C1CC1)CC3	ZINC000100234899	570269832	/nfs/dbraw/zinc/26/98/32/570269832.db2.gz	RTIRTVAHVSWCPR-QGZVFWFLSA-N	-1	0	395.463	1.803	40	0		GDABRM
O=C([O-])c1cccc(N2C(=O)C[C@@H](N3CCN(Cc4ccccc4)CC3)C2=O)c1	ZINC000023476890	570363304	/nfs/dbraw/zinc/36/33/04/570363304.db2.gz	SKRGEKRIOITGEC-LJQANCHMSA-N	-1	0	393.443	1.835	40	0		GDABRM
COc1cc(Cl)c(S(=O)(=O)[N-]C(=O)[C@H](OC)[C@@H]2CCOC2)cc1OC	ZINC000685938900	570398076	/nfs/dbraw/zinc/39/80/76/570398076.db2.gz	PLFBCJPYZRYVKF-YMTOWFKASA-N	-1	0	393.845	1.214	40	0		GDABRM
Cc1c2c(cc(=O)n1N1CCOCC1)[n-]n(-c1nc3ccccc3s1)c2=O	ZINC000005274871	570432959	/nfs/dbraw/zinc/43/29/59/570432959.db2.gz	WUKFZNWYWGZKRP-UHFFFAOYSA-N	-1	0	383.433	1.367	40	0		GDABRM
COC(=O)CN1C(=O)/C(=C/c2ccc(OCC(=O)[O-])c(Cl)c2)N(C)C1=S	ZINC000008091417	570461823	/nfs/dbraw/zinc/46/18/23/570461823.db2.gz	FXZBWWNYQIZYPE-WDZFZDKYSA-N	-1	0	398.824	1.376	40	0		GDABRM
COc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc3c(c2)OCCO3)cc1	ZINC000224824845	570532741	/nfs/dbraw/zinc/53/27/41/570532741.db2.gz	GMJDBKJBJYERLI-UHFFFAOYSA-N	-1	0	379.390	1.746	40	0		GDABRM
O=C([O-])CN(c1ccc2c(c1)OCO2)S(=O)(=O)c1ccc2c(c1)OCCO2	ZINC000224831817	570533315	/nfs/dbraw/zinc/53/33/15/570533315.db2.gz	ITSGUYQJYBVMFF-UHFFFAOYSA-N	-1	0	393.373	1.466	40	0		GDABRM
CN(Cc1ncc(C(=O)[O-])c(N2CCCC2)n1)S(=O)(=O)c1ccccc1	ZINC000049469112	570663918	/nfs/dbraw/zinc/66/39/18/570663918.db2.gz	WDJYQMOCJDYGDS-UHFFFAOYSA-N	-1	0	376.438	1.596	40	0		GDABRM
O=C(NC[C@@H]1CCCO1)c1nc2c(nnn2Cc2ccccc2Cl)c(=O)[n-]1	ZINC000005764243	570664657	/nfs/dbraw/zinc/66/46/57/570664657.db2.gz	VILZAACEVTVIMZ-NSHDSACASA-N	-1	0	388.815	1.537	40	0		GDABRM
COc1ccc(C)cc1CN1CCN([C@H]2CCCCN(CC(=O)[O-])C2=O)CC1	ZINC000643874478	570671665	/nfs/dbraw/zinc/67/16/65/570671665.db2.gz	XMGGAIUXQONETA-SFHVURJKSA-N	-1	0	389.496	1.587	40	0		GDABRM
Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(NC(=O)CN2CCCC2)c(C)c1	ZINC000057823172	570704258	/nfs/dbraw/zinc/70/42/58/570704258.db2.gz	VXARJHTVMQQXGU-UHFFFAOYSA-N	-1	0	391.497	1.872	40	0		GDABRM
O=C([O-])COc1cccc(C(=O)N2C[C@@H](O)[C@@H](Cc3cn4cccc4cn3)C2)c1	ZINC000257261001	570771614	/nfs/dbraw/zinc/77/16/14/570771614.db2.gz	LFJGAZOFNOYPJZ-HNAYVOBHSA-N	-1	0	395.415	1.473	40	0		GDABRM
CNC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3C(=O)[O-])o2)CCN1C(C)=O	ZINC000257344905	570785089	/nfs/dbraw/zinc/78/50/89/570785089.db2.gz	ZZDPKRUUYDZMEP-KRWDZBQOSA-N	-1	0	385.420	1.424	40	0		GDABRM
O=C([O-])COc1ccc(NC(=O)CN2CCCS2(=O)=O)c2ccccc12	ZINC000262119866	602261538	/nfs/dbraw/zinc/26/15/38/602261538.db2.gz	JMURXDRTHBLOLE-UHFFFAOYSA-N	-1	0	378.406	1.277	40	0		GDABRM