smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1C=CC(=NNc2cccc3ccc(S(=O)(=O)[O-])cc32)c2ccccc21	ZINC000004826565	212079605	/nfs/dbraw/zinc/07/96/05/212079605.db2.gz	BSCYICKDCDCJEG-QURGRASLSA-N	-1	0	378.409	5.361	50	10		GKCARM
O=C1C=CC(=NNc2cccc3ccccc32)c2ccc(S(=O)(=O)[O-])cc21	ZINC000004823205	206229267	/nfs/dbraw/zinc/22/92/67/206229267.db2.gz	XNNSIOFRQQWHJA-QURGRASLSA-N	-1	0	378.409	5.361	50	10		GKCARM
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000000843969	206326004	/nfs/dbraw/zinc/32/60/04/206326004.db2.gz	SDLABSMYJHJGQI-RTWAWAEBSA-N	-1	0	389.451	5.462	50	10		GKCARM
O=C1[N-]C(=O)N(c2ccccc2)C(=O)C1=Cc1c2ccccc2cc2ccccc21	ZINC000001512935	206384202	/nfs/dbraw/zinc/38/42/02/206384202.db2.gz	OKJWTOBUUJGNRU-PXLXIMEGSA-N	-1	0	392.414	5.500	50	10		GKCARM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	ZINC000015226218	207048988	/nfs/dbraw/zinc/04/89/88/207048988.db2.gz	ZFLZNXTWCFTHTD-FRQCXROJSA-N	-1	0	384.273	5.282	50	10		GKCARM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	ZINC000111479044	208449780	/nfs/dbraw/zinc/44/97/80/208449780.db2.gz	ZFLZNXTWCFTHTD-GPMSIDNRSA-N	-1	0	384.273	5.282	50	10		GKCARM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@@H]21	ZINC000111479008	570217285	/nfs/dbraw/zinc/21/72/85/570217285.db2.gz	VAAVLZMNNFGARM-SPYBWZPUSA-N	-1	0	384.273	5.282	50	10		GKCARM
CC(C)c1ccc([C@@H](Nc2nccs2)c2ccc3cccnc3c2O)cc1	ZINC000001463276	570263721	/nfs/dbraw/zinc/26/37/21/570263721.db2.gz	LNZRFASRIXMRSJ-LJQANCHMSA-N	-1	0	375.497	5.722	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1Nc2cc(C(F)(F)F)ccc2-n2cccc21	ZINC000004306097	570366882	/nfs/dbraw/zinc/36/68/82/570366882.db2.gz	NLOWHEFAPXGHPF-MRXNPFEDSA-N	-1	0	399.199	6.023	50	10		GKCARM
O=C([O-])C1=Cc2ccccc2C(=NNc2cc(C(F)(F)F)ccc2Cl)C1=O	ZINC000004776848	570404879	/nfs/dbraw/zinc/40/48/79/570404879.db2.gz	LFUPHTJXWMRCJO-WCWDXBQESA-N	-1	0	394.736	6.331	50	10		GKCARM
O=C(c1ccccc1)N1N=C(c2cc(Cl)ccc2O)C[C@@H]1c1ccccc1	ZINC000005155669	570433184	/nfs/dbraw/zinc/43/31/84/570433184.db2.gz	XBFYVSQUFFTIOC-HXUWFJFHSA-N	-1	0	376.843	5.037	50	10		GKCARM
O=S(=O)([N-]c1nc(-c2ccc(Cl)s2)cs1)c1ccc(Cl)s1	ZINC000006623488	570507264	/nfs/dbraw/zinc/50/72/64/570507264.db2.gz	OKLQRFFTTGSEJH-UHFFFAOYSA-N	-1	0	397.355	5.041	50	10		GKCARM
Nc1ccc(/N=N/c2cccc3cccc(S(=O)(=O)[O-])c32)c2ccccc12	ZINC000071767001	570652416	/nfs/dbraw/zinc/65/24/16/570652416.db2.gz	JVDNRLUNEMXZOM-GHVJWSGMSA-N	-1	0	377.425	5.237	50	10		GKCARM
Cc1ccc(/N=N/c2cc(C)ccc2N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1	ZINC000004695658	570841429	/nfs/dbraw/zinc/84/14/29/570841429.db2.gz	HWDZLOWVXNUVHI-OCOZRVBESA-N	-1	0	399.406	5.218	50	10		GKCARM
CCc1ccc(-c2csc(N=Cc3c(C)[n-]n(-c4ccccc4)c3=O)n2)cc1	ZINC000044827016	570978213	/nfs/dbraw/zinc/97/82/13/570978213.db2.gz	VFIIUCPYVURITP-UYRXBGFRSA-N	-1	0	388.496	5.091	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000252594822	571003383	/nfs/dbraw/zinc/00/33/83/571003383.db2.gz	BVCMZTZDHXFXKO-QGZVFWFLSA-N	-1	0	395.875	5.339	50	10		GKCARM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1Cc1ccccc1	ZINC000013810188	210092394	/nfs/dbraw/zinc/09/23/94/210092394.db2.gz	GUTDAFSEGCDHHH-RIYZIHGNSA-N	-1	0	396.320	5.100	50	10		GKCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C(F)(F)F)c2)cc1	ZINC000004819119	209529711	/nfs/dbraw/zinc/52/97/11/209529711.db2.gz	DCTAOACDNOBYSW-UHFFFAOYSA-N	-1	0	389.373	5.189	50	10		GKCARM
Cc1cc(C)cc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1	ZINC000004663326	209507296	/nfs/dbraw/zinc/50/72/96/209507296.db2.gz	YPEGTUXTWKBJDH-UHFFFAOYSA-N	-1	0	398.300	5.541	50	10		GKCARM
Cc1cccc(N2C(=O)/C(=C/c3cc(Cl)c([O-])c(Cl)c3)SC2=S)c1	ZINC000001160421	209308541	/nfs/dbraw/zinc/30/85/41/209308541.db2.gz	OMAKSGXBRTWASJ-ZSOIEALJSA-N	-1	0	396.320	5.413	50	10		GKCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(Br)c2)cc1	ZINC000001140326	212222434	/nfs/dbraw/zinc/22/24/34/212222434.db2.gz	LCJGWPIHBHLSRB-UHFFFAOYSA-N	-1	0	384.273	5.232	50	10		GKCARM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1C	ZINC000001140161	212221513	/nfs/dbraw/zinc/22/15/13/212221513.db2.gz	BQKMKLJGGQEJRK-UHFFFAOYSA-N	-1	0	398.300	5.541	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1ccccc1C(F)(F)F	ZINC000009095704	204298015	/nfs/dbraw/zinc/29/80/15/204298015.db2.gz	MUEJANODDAVHBQ-UHFFFAOYSA-N	-1	0	393.792	5.834	50	10		GKCARM
O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000000843967	206326010	/nfs/dbraw/zinc/32/60/10/206326010.db2.gz	SDLABSMYJHJGQI-NHCUHLMSSA-N	-1	0	389.451	5.462	50	10		GKCARM
O=C1C=CC(=NNc2ccc(S(=O)(=O)[O-])c3ccccc23)c2ccccc21	ZINC000004416413	206520450	/nfs/dbraw/zinc/52/04/50/206520450.db2.gz	GOLZWFYDAGUDPO-QURGRASLSA-N	-1	0	378.409	5.361	50	10		GKCARM
Cc1nc2ccc(N=Nc3c(C)[n-]n(-c4ccc(Cl)cc4)c3=O)cc2s1	ZINC000100559678	211388027	/nfs/dbraw/zinc/38/80/27/211388027.db2.gz	WGVMGTWZHUTIIB-QURGRASLSA-N	-1	0	383.864	5.873	50	10		GKCARM
O=S(=O)([O-])c1cccc(/N=N/c2c(-c3ccccc3)cc3ccccn32)c1	ZINC000018191740	207094087	/nfs/dbraw/zinc/09/40/87/207094087.db2.gz	LUEPCXYFXVGCPH-QURGRASLSA-N	-1	0	377.425	5.268	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000020033440	207174100	/nfs/dbraw/zinc/17/41/00/207174100.db2.gz	ZCJHWSRABFUFPJ-LGVFNWMJSA-N	-1	0	383.447	6.004	50	10		GKCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000100041082	208372774	/nfs/dbraw/zinc/37/27/74/208372774.db2.gz	VHLYHQVVLYVGPL-ZROIWOOFSA-N	-1	0	380.662	5.365	50	10		GKCARM
Nc1c(C(=O)[O-])sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12	ZINC000019852413	210301368	/nfs/dbraw/zinc/30/13/68/210301368.db2.gz	FQLKWBZFGPXGIB-UHFFFAOYSA-N	-1	0	396.434	5.063	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@@H]21	ZINC000252427944	526357628	/nfs/dbraw/zinc/35/76/28/526357628.db2.gz	LGARIUWONWUFPT-RQKICWOHSA-N	-1	0	385.507	5.893	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000252427945	526358048	/nfs/dbraw/zinc/35/80/48/526358048.db2.gz	LGARIUWONWUFPT-YFHLLIBNSA-N	-1	0	385.507	5.893	50	10		GKCARM
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000001517386	570264730	/nfs/dbraw/zinc/26/47/30/570264730.db2.gz	YSPQWBJQLWUWKL-RTWAWAEBSA-N	-1	0	387.435	5.238	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000000655575	570341064	/nfs/dbraw/zinc/34/10/64/570341064.db2.gz	LGARIUWONWUFPT-UKMCQSRUSA-N	-1	0	385.507	5.893	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(C(F)(F)F)ccc2-n2cccc21	ZINC000004306101	570366746	/nfs/dbraw/zinc/36/67/46/570366746.db2.gz	NLOWHEFAPXGHPF-INIZCTEOSA-N	-1	0	399.199	6.023	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@H]1Nc2cc(Cl)c(C(F)(F)F)cc2N1	ZINC000004322682	570367779	/nfs/dbraw/zinc/36/77/79/570367779.db2.gz	PZONAVSIDPYBQC-CYBMUJFWSA-N	-1	0	383.584	5.907	50	10		GKCARM
Cc1c2cc(OCc3ccccc3)c(OCc3ccccc3)cc2oc1C(=O)[O-]	ZINC000004948719	570379357	/nfs/dbraw/zinc/37/93/57/570379357.db2.gz	CEZRPSUZQBYIKJ-UHFFFAOYSA-N	-1	0	388.419	5.597	50	10		GKCARM
Oc1c([C@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12	ZINC000005590460	570447685	/nfs/dbraw/zinc/44/76/85/570447685.db2.gz	YROVRAVZEVZWSW-FQEVSTJZSA-N	-1	0	379.822	5.329	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000012628279	570692355	/nfs/dbraw/zinc/69/23/55/570692355.db2.gz	YMCHKRRBEQYBKU-CPUCHLNUSA-N	-1	0	388.236	5.113	50	10		GKCARM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@@H]1CC=C[C@H]21	ZINC000006965721	570722024	/nfs/dbraw/zinc/72/20/24/570722024.db2.gz	VAAVLZMNNFGARM-QMTMVMCOSA-N	-1	0	384.273	5.282	50	10		GKCARM
O=C1/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccccc1	ZINC000013801193	570791136	/nfs/dbraw/zinc/79/11/36/570791136.db2.gz	HKRNLULTEQRRGK-MDWZMJQESA-N	-1	0	382.293	5.105	50	10		GKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000004571667	570899245	/nfs/dbraw/zinc/89/92/45/570899245.db2.gz	UXXIQQAUVNZUKS-KWKYVRJSSA-N	-1	0	383.300	5.314	50	10		GKCARM
O=C([O-])c1cc(/N=N/c2c(-c3ccccc3)cc3ccccn32)ccc1Cl	ZINC000018191737	210216663	/nfs/dbraw/zinc/21/66/63/210216663.db2.gz	UHKOJKYOTWGYEE-WCWDXBQESA-N	-1	0	375.815	6.373	50	10		GKCARM
Cc1nn(-c2ccc(Cl)c(C(=O)[O-])c2)c(C)c1/N=N/c1cccc([N+](=O)[O-])c1	ZINC000016156229	210185881	/nfs/dbraw/zinc/18/58/81/210185881.db2.gz	BUIMWFYGMWTOAH-QZQOTICOSA-N	-1	0	399.794	5.164	50	10		GKCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000015134094	210153810	/nfs/dbraw/zinc/15/38/10/210153810.db2.gz	VHLYHQVVLYVGPL-NTEUORMPSA-N	-1	0	380.662	5.365	50	10		GKCARM
O=C([O-])c1cc(-n2c(-c3ccccc3)cc3c2CCc2ccccc2-3)ccc1O	ZINC000004216021	209472030	/nfs/dbraw/zinc/47/20/30/209472030.db2.gz	HAWWPSYXSLJRBO-UHFFFAOYSA-N	-1	0	381.431	5.314	50	10	in-man	GKCARM
[O-]c1c(Cl)cc(Cl)cc1C1N(c2ccccc2)CCN1c1ccccc1	ZINC000002074706	209345299	/nfs/dbraw/zinc/34/52/99/209345299.db2.gz	WACDHQSKSNRWSP-UHFFFAOYSA-N	-1	0	385.294	5.724	50	10		GKCARM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1	ZINC000001147597	212222656	/nfs/dbraw/zinc/22/26/56/212222656.db2.gz	LTGRDJRSQACSKB-UHFFFAOYSA-N	-1	0	384.273	5.232	50	10		GKCARM
CCCN(CCC)c1ccc(/C=C(\CC(=O)[O-])c2nc3ccccc3o2)cc1	ZINC000008023799	212102826	/nfs/dbraw/zinc/10/28/26/212102826.db2.gz	QDBQNFPYNOZOLM-OBGWFSINSA-N	-1	0	378.472	5.470	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccccc1C(F)(F)F	ZINC000003274124	203994080	/nfs/dbraw/zinc/99/40/80/203994080.db2.gz	ZSKRPGSHIVUCDA-UHFFFAOYSA-N	-1	0	377.337	5.319	50	10		GKCARM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000015226222	204565625	/nfs/dbraw/zinc/56/56/25/204565625.db2.gz	ZFLZNXTWCFTHTD-TXPKVOOTSA-N	-1	0	384.273	5.282	50	10		GKCARM
O=S(=O)([O-])c1c(N=Nc2c(O)ccc3ccccc32)ccc2ccccc21	ZINC000004683072	209121333	/nfs/dbraw/zinc/12/13/33/209121333.db2.gz	SRPCPRSDICCCRQ-QURGRASLSA-N	-1	0	378.409	5.361	50	10		GKCARM
O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1ccc2ccccc2c1O	ZINC000261081096	206183378	/nfs/dbraw/zinc/18/33/78/206183378.db2.gz	BRDGZOLJYALNOY-UHFFFAOYSA-N	-1	0	394.408	5.066	50	10	aggregator	GKCARM
O=C([O-])[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1	ZINC000000771809	206320709	/nfs/dbraw/zinc/32/07/09/206320709.db2.gz	BSSGORVBEHMAOO-DNQXCXABSA-N	-1	0	382.459	5.591	50	10		GKCARM
Cc1sc([N-]S(=O)(=O)c2ccc(C)cc2)nc1-c1ccc(C)c(Cl)c1	ZINC000001038941	206343989	/nfs/dbraw/zinc/34/39/89/206343989.db2.gz	YBPGQJLQWXTWBV-UHFFFAOYSA-N	-1	0	392.933	5.190	50	10		GKCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cc(Cl)ccc2Cl)cc1	ZINC000001072865	206349299	/nfs/dbraw/zinc/34/92/99/206349299.db2.gz	MLIVAXWPQILPMK-UHFFFAOYSA-N	-1	0	390.266	5.477	50	10		GKCARM
O=C([O-])Cc1ccc(/N=N/c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1	ZINC000018191770	207095395	/nfs/dbraw/zinc/09/53/95/207095395.db2.gz	GAQIBDKSPHCKCG-CYYJNZCTSA-N	-1	0	382.423	5.786	50	10		GKCARM
Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000020249856	207186149	/nfs/dbraw/zinc/18/61/49/207186149.db2.gz	PSRRAEGTCHKAMX-DAYGRLMNSA-N	-1	0	384.273	5.282	50	10		GKCARM
CC(Nc1ccc(Cl)cc1)=C1C(C)=NN(c2nc3ccccc3s2)C1=O	ZINC000100423061	208375457	/nfs/dbraw/zinc/37/54/57/208375457.db2.gz	JLFIUHDXBRVCLF-BOPFTXTBSA-N	-1	0	382.876	5.058	50	10		GKCARM
O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@H]1CC=C[C@@H]31	ZINC000138839924	136192990	/nfs/dbraw/zinc/19/29/90/136192990.db2.gz	JFRAUHQWVZAEAI-IUCYPJSISA-N	-1	0	385.463	5.085	50	10		GKCARM
O=C([O-])[C@@H]1[C@@H]2CC=C[C@@H]2c2cc(Oc3ccccc3)cc3c2N1C[C@@H]1CC=C[C@@H]31	ZINC000169295761	136197044	/nfs/dbraw/zinc/19/70/44/136197044.db2.gz	JFRAUHQWVZAEAI-UXGNBTOTSA-N	-1	0	385.463	5.085	50	10		GKCARM
CC(C)c1c2oc3c(ccc(O)c3[O-])c2nc2c1c(=O)[nH]n2C1CCCCCC1	ZINC000085876024	222324814	/nfs/dbraw/zinc/32/48/14/222324814.db2.gz	MCWKEAMRAOUMTO-UHFFFAOYSA-N	-1	0	395.459	5.054	50	10	biogenic	GKCARM
O=C([O-])[C@@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1	ZINC000000771808	570222525	/nfs/dbraw/zinc/22/25/25/570222525.db2.gz	BSSGORVBEHMAOO-BJKOFHAPSA-N	-1	0	382.459	5.591	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000020033449	570236230	/nfs/dbraw/zinc/23/62/30/570236230.db2.gz	ZCJHWSRABFUFPJ-IMSXRSKXSA-N	-1	0	383.447	6.004	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl	ZINC000100148597	570267630	/nfs/dbraw/zinc/26/76/30/570267630.db2.gz	QNPZMTWGWYEHNG-LCYFTJDESA-N	-1	0	380.662	5.365	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000100510883	570272828	/nfs/dbraw/zinc/27/28/28/570272828.db2.gz	LBVRWSQBTMDQSM-FTGFMQHASA-N	-1	0	393.447	5.133	50	10		GKCARM
O=C(Oc1ccc2c([O-])c(N=Nc3ccccc3)c(=O)oc2c1)c1ccccc1	ZINC000103657875	570296189	/nfs/dbraw/zinc/29/61/89/570296189.db2.gz	PCUTVUOAGVVEMV-WCWDXBQESA-N	-1	0	386.363	5.133	50	10		GKCARM
Cc1c(C(=O)[O-])cc(-c2ccc(C)c(C)c2)n1-c1ccc(Br)cc1	ZINC000004237782	570363713	/nfs/dbraw/zinc/36/37/13/570363713.db2.gz	WPFAFYLVWBLVTF-UHFFFAOYSA-N	-1	0	384.273	5.530	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000006727248	570554110	/nfs/dbraw/zinc/55/41/10/570554110.db2.gz	ZCJHWSRABFUFPJ-DPLHUUCSSA-N	-1	0	383.447	6.004	50	10		GKCARM
Cc1ccc(C2=Nc3ccccc3N=C(c3ccc4ccccc4c3[O-])C2)cc1	ZINC000006727920	570554580	/nfs/dbraw/zinc/55/45/80/570554580.db2.gz	ZMXYQWJBFGIOFW-UHFFFAOYSA-N	-1	0	376.459	6.499	50	10		GKCARM
O=C([O-])c1ccc(Cl)c(/N=N/c2c(-c3ccccc3)cc3ccccn32)c1	ZINC000018191735	570808554	/nfs/dbraw/zinc/80/85/54/570808554.db2.gz	UNUUBZKYNPBBQI-WCWDXBQESA-N	-1	0	375.815	6.373	50	10		GKCARM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000101148656	570816196	/nfs/dbraw/zinc/81/61/96/570816196.db2.gz	SRVXLOXLPYKSEU-NTEUORMPSA-N	-1	0	394.689	5.674	50	10		GKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000004571670	570899239	/nfs/dbraw/zinc/89/92/39/570899239.db2.gz	UXXIQQAUVNZUKS-NZFNHWASSA-N	-1	0	383.300	5.314	50	10		GKCARM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	ZINC000107991145	570980388	/nfs/dbraw/zinc/98/03/88/570980388.db2.gz	VAAVLZMNNFGARM-ZRGWGRIASA-N	-1	0	384.273	5.282	50	10		GKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2	ZINC000001070012	209296628	/nfs/dbraw/zinc/29/66/28/209296628.db2.gz	QZZJFGFQSQOUKI-IIYDPXPESA-N	-1	0	393.792	5.884	50	10		GKCARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000000990697	212202723	/nfs/dbraw/zinc/20/27/23/212202723.db2.gz	YZEJIVHEKNOOOB-UHFFFAOYSA-N	-1	0	383.403	5.583	50	10		GKCARM
CCc1ccc(-n2c(C)c(C(=O)[O-])cc2-c2ccc(Br)cc2)cc1	ZINC000004237718	204032943	/nfs/dbraw/zinc/03/29/43/204032943.db2.gz	RMMORLWBPBSZCR-UHFFFAOYSA-N	-1	0	384.273	5.476	50	10		GKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@@H](c1cccc(C(F)(F)F)c1)N2	ZINC000004721966	204068285	/nfs/dbraw/zinc/06/82/85/204068285.db2.gz	QZZJFGFQSQOUKI-PBFPGSCMSA-N	-1	0	393.792	5.884	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3ccc(Oc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000036056876	205003707	/nfs/dbraw/zinc/00/37/07/205003707.db2.gz	ZCJHWSRABFUFPJ-HFMPRLQTSA-N	-1	0	383.447	6.004	50	10		GKCARM
Cc1ccccc1N1C(=O)/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000001159308	209116110	/nfs/dbraw/zinc/11/61/10/209116110.db2.gz	CBXMZTRHSGILRF-ZSOIEALJSA-N	-1	0	396.320	5.413	50	10		GKCARM
CCCN(CCC)c1ccc(/C=C(/CC(=O)[O-])c2nc3ccccc3o2)cc1	ZINC000097998092	206124497	/nfs/dbraw/zinc/12/44/97/206124497.db2.gz	QDBQNFPYNOZOLM-SDXDJHTJSA-N	-1	0	378.472	5.470	50	10		GKCARM
O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000001517379	206385771	/nfs/dbraw/zinc/38/57/71/206385771.db2.gz	YSPQWBJQLWUWKL-LEWJYISDSA-N	-1	0	387.435	5.238	50	10		GKCARM
CCc1ccccc1-n1c(C)c(C(=O)[O-])cc1-c1ccc(Br)cc1	ZINC000004237719	206509132	/nfs/dbraw/zinc/50/91/32/206509132.db2.gz	FUSCWNFKXHSPQW-UHFFFAOYSA-N	-1	0	384.273	5.476	50	10		GKCARM
CC[C@@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1	ZINC000020171912	210320912	/nfs/dbraw/zinc/32/09/12/210320912.db2.gz	MRWNMQZKHYACBW-VCRXTVNUSA-N	-1	0	387.439	5.188	50	10		GKCARM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000015722398	221341658	/nfs/dbraw/zinc/34/16/58/221341658.db2.gz	LIGHTOPFGVEIEO-XHBSWPGZSA-N	-1	0	377.227	5.434	50	10		GKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(-c2ccccc2)o1	ZINC000002216253	136193373	/nfs/dbraw/zinc/19/33/73/136193373.db2.gz	JEQQJOSEWPSNLQ-ATVHPVEESA-N	-1	0	392.798	5.107	50	10		GKCARM
Cc1cc(N=Nc2c(O)ccc3ccccc32)c(S(=O)(=O)[O-])cc1Cl	ZINC000005765124	560203055	/nfs/dbraw/zinc/20/30/55/560203055.db2.gz	IYHIFXGFKVJNBB-FMQUCBEESA-N	-1	0	376.821	5.169	50	10	in-vitro	GKCARM
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000001517383	570264671	/nfs/dbraw/zinc/26/46/71/570264671.db2.gz	YSPQWBJQLWUWKL-SFTDATJTSA-N	-1	0	387.435	5.238	50	10		GKCARM
CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccccc2)cs1	ZINC000102965146	570293494	/nfs/dbraw/zinc/29/34/94/570293494.db2.gz	AUHDTTDMBYSUHR-IBGZPJMESA-N	-1	0	393.537	5.474	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1[C@@H]1Nc2cc(Cl)c(C(F)(F)F)cc2N1	ZINC000003162356	570331242	/nfs/dbraw/zinc/33/12/42/570331242.db2.gz	PZONAVSIDPYBQC-ZDUSSCGKSA-N	-1	0	383.584	5.907	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CCCC[C@@H]1CN3[C@@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000004321251	570367473	/nfs/dbraw/zinc/36/74/73/570367473.db2.gz	LGARIUWONWUFPT-JFLVIDOFSA-N	-1	0	385.507	5.893	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004321248	570367540	/nfs/dbraw/zinc/36/75/40/570367540.db2.gz	LGARIUWONWUFPT-HRSQTCHXSA-N	-1	0	385.507	5.893	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1	ZINC000004575327	570385644	/nfs/dbraw/zinc/38/56/44/570385644.db2.gz	UYSVWOSJVYSBMJ-UHFFFAOYSA-N	-1	0	388.236	5.063	50	10		GKCARM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@H]21	ZINC000006965679	570722147	/nfs/dbraw/zinc/72/21/47/570722147.db2.gz	VAAVLZMNNFGARM-YZVOILCLSA-N	-1	0	384.273	5.282	50	10		GKCARM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Br)c1)[C@H]1CC=C[C@@H]21	ZINC000001096181	570752722	/nfs/dbraw/zinc/75/27/22/570752722.db2.gz	ZFLZNXTWCFTHTD-JTDSTZFVSA-N	-1	0	384.273	5.282	50	10		GKCARM
O=C1/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC(=S)N1C1CCCCC1	ZINC000004524150	570841834	/nfs/dbraw/zinc/84/18/34/570841834.db2.gz	GSMBYKVVMHLBMJ-QPEQYQDCSA-N	-1	0	388.341	5.233	50	10		GKCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1cc(C(F)(F)F)ccc1Cl	ZINC000102570099	570852319	/nfs/dbraw/zinc/85/23/19/570852319.db2.gz	WQOGMPJGXSHBHH-GXDHUFHOSA-N	-1	0	379.769	5.077	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000004550411	570860855	/nfs/dbraw/zinc/86/08/55/570860855.db2.gz	WUILMWNSCHQQMI-UHFFFAOYSA-N	-1	0	377.337	5.319	50	10		GKCARM
C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000004571665	570899216	/nfs/dbraw/zinc/89/92/16/570899216.db2.gz	UXXIQQAUVNZUKS-ZIDLFYJRSA-N	-1	0	383.300	5.314	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000016160783	570915905	/nfs/dbraw/zinc/91/59/05/570915905.db2.gz	KHMODSXLXDJCEX-ZROIWOOFSA-N	-1	0	380.662	5.365	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc(Br)c1	ZINC000001151488	209307143	/nfs/dbraw/zinc/30/71/43/209307143.db2.gz	BZIYMRZMIRQVMD-UHFFFAOYSA-N	-1	0	388.236	5.063	50	10		GKCARM
O=C([O-])[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@@H]1C(=O)c1ccccc1	ZINC000000771810	209263654	/nfs/dbraw/zinc/26/36/54/209263654.db2.gz	BSSGORVBEHMAOO-ZEQRLZLVSA-N	-1	0	382.459	5.591	50	10		GKCARM
Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000058928727	209213881	/nfs/dbraw/zinc/21/38/81/209213881.db2.gz	PSRRAEGTCHKAMX-VKJFTORMSA-N	-1	0	384.273	5.282	50	10		GKCARM
O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000000843966	206326564	/nfs/dbraw/zinc/32/65/64/206326564.db2.gz	SDLABSMYJHJGQI-LEWJYISDSA-N	-1	0	389.451	5.462	50	10		GKCARM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1)N2	ZINC000019787335	207161120	/nfs/dbraw/zinc/16/11/20/207161120.db2.gz	LIGHTOPFGVEIEO-BFQNTYOBSA-N	-1	0	377.227	5.434	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@H]1CC=C[C@@H]21	ZINC000252427943	526358324	/nfs/dbraw/zinc/35/83/24/526358324.db2.gz	LGARIUWONWUFPT-ISPHGWFKSA-N	-1	0	385.507	5.893	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccc(C)cc3)cs2)c(=O)c1N=Nc1ccc(F)cc1	ZINC000100510880	570272973	/nfs/dbraw/zinc/27/29/73/570272973.db2.gz	LBVRWSQBTMDQSM-IUBFCHALSA-N	-1	0	393.447	5.133	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000102572310	570290123	/nfs/dbraw/zinc/29/01/23/570290123.db2.gz	BVCMZTZDHXFXKO-DUPNKOKHSA-N	-1	0	395.875	5.339	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CCCC[C@@H]1CN3[C@H](c1ccccc1)[C@H]1CC=C[C@H]21	ZINC000004321250	570367524	/nfs/dbraw/zinc/36/75/24/570367524.db2.gz	LGARIUWONWUFPT-OBIGNXCSSA-N	-1	0	385.507	5.893	50	10		GKCARM
CCCc1[n-]n(-c2ccccc2)c(=O)c1Sc1nc(-c2ccccc2)cs1	ZINC000004669050	570391900	/nfs/dbraw/zinc/39/19/00/570391900.db2.gz	AUHDTTDMBYSUHR-LJQANCHMSA-N	-1	0	393.537	5.474	50	10		GKCARM
Cc1ccc([C@H](Nc2cccc(C)n2)c2ccc3ccc(C)nc3c2O)s1	ZINC000004998388	570422664	/nfs/dbraw/zinc/42/26/64/570422664.db2.gz	XRBPURWCUNERFH-OAQYLSRUSA-N	-1	0	375.497	5.524	50	10		GKCARM
Oc1ccc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(F)cc3)=NN21	ZINC000005739410	570454024	/nfs/dbraw/zinc/45/40/24/570454024.db2.gz	PITRAGZEVXQZQG-UGKGYDQZSA-N	-1	0	394.833	5.427	50	10		GKCARM
O=[N+]([O-])c1c(Cl)cc([O-])c2c1[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000101651451	570537948	/nfs/dbraw/zinc/53/79/48/570537948.db2.gz	LIGHTOPFGVEIEO-WQGACYEGSA-N	-1	0	377.227	5.434	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000004690261	570835448	/nfs/dbraw/zinc/83/54/48/570835448.db2.gz	YMCHKRRBEQYBKU-ZQIUZPCESA-N	-1	0	388.236	5.113	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000252594821	571003296	/nfs/dbraw/zinc/00/32/96/571003296.db2.gz	BVCMZTZDHXFXKO-KRWDZBQOSA-N	-1	0	395.875	5.339	50	10		GKCARM
O=C(Oc1ccc2c([O-])c(N=Nc3ccccc3)c(=O)oc2c1)c1ccccc1	ZINC000252623950	571036931	/nfs/dbraw/zinc/03/69/31/571036931.db2.gz	PCUTVUOAGVVEMV-UHFFFAOYSA-N	-1	0	386.363	5.133	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000245238648	209214529	/nfs/dbraw/zinc/21/45/29/209214529.db2.gz	XPWUMPZXMZMOQI-AFEXYSGWSA-N	-1	0	387.454	5.418	50	10		GKCARM
O=C1/C(=C/c2cc(Cl)c([O-])c(Cl)c2)SC(=S)N1c1ccccc1	ZINC000001186031	212226987	/nfs/dbraw/zinc/22/69/87/212226987.db2.gz	HKRNLULTEQRRGK-JYRVWZFOSA-N	-1	0	382.293	5.105	50	10		GKCARM
CCc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)cc1	ZINC000001138071	212221535	/nfs/dbraw/zinc/22/15/35/212221535.db2.gz	ZEVVVAMKSJOYDV-UHFFFAOYSA-N	-1	0	398.300	5.486	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@H]1CN3[C@@H](c1ccccc1F)[C@H]1CC=C[C@@H]21	ZINC000245238650	212134245	/nfs/dbraw/zinc/13/42/45/212134245.db2.gz	XPWUMPZXMZMOQI-OWOGZFRHSA-N	-1	0	387.454	5.418	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000059267166	212133310	/nfs/dbraw/zinc/13/33/10/212133310.db2.gz	YMCHKRRBEQYBKU-KEYYUXOJSA-N	-1	0	388.236	5.113	50	10		GKCARM
O=C1C=C(S(=O)(=O)[O-])c2ccccc2C1=NNc1ccc2ccccc2c1O	ZINC000004521479	204051166	/nfs/dbraw/zinc/05/11/66/204051166.db2.gz	BRDGZOLJYALNOY-QURGRASLSA-N	-1	0	394.408	5.066	50	10	aggregator	GKCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000100148628	208372289	/nfs/dbraw/zinc/37/22/89/208372289.db2.gz	QAJSYWOMZATKIP-UKTHLTGXSA-N	-1	0	380.662	5.365	50	10		GKCARM
CC[C@H](C)c1ccc(N2C(=O)[N-]C(=O)C(=Cc3c[nH]c4ccccc34)C2=O)cc1	ZINC000020171913	210323039	/nfs/dbraw/zinc/32/30/39/210323039.db2.gz	MRWNMQZKHYACBW-YQNUULROSA-N	-1	0	387.439	5.188	50	10		GKCARM
O=[N+]([O-])c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Cl)cc32)c([O-])c1	ZINC000016755009	221371197	/nfs/dbraw/zinc/37/11/97/221371197.db2.gz	VDXJJWLTWCIJAA-PTGBLXJZSA-N	-1	0	392.798	5.599	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccc1F)N3C[C@H]1CC=C[C@@H]21	ZINC000102992534	136196410	/nfs/dbraw/zinc/19/64/10/136196410.db2.gz	XPWUMPZXMZMOQI-UOCQJXFKSA-N	-1	0	387.454	5.418	50	10		GKCARM
Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000080346706	222306246	/nfs/dbraw/zinc/30/62/46/222306246.db2.gz	PSRRAEGTCHKAMX-MPGHIAIKSA-N	-1	0	384.273	5.282	50	10		GKCARM
O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000000843968	570226106	/nfs/dbraw/zinc/22/61/06/570226106.db2.gz	SDLABSMYJHJGQI-SFTDATJTSA-N	-1	0	389.451	5.462	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccccc1Cl	ZINC000102572311	570290188	/nfs/dbraw/zinc/29/01/88/570290188.db2.gz	BVCMZTZDHXFXKO-AWZKZOKMSA-N	-1	0	395.875	5.339	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1	ZINC000004309559	570367198	/nfs/dbraw/zinc/36/71/98/570367198.db2.gz	DWHMHKGGJCUFAP-QZQOTICOSA-N	-1	0	381.650	6.262	50	10		GKCARM
O=C([O-])c1cc2c3c(c1)[C@H]1CCCC[C@@H]1CN3[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004321249	570367577	/nfs/dbraw/zinc/36/75/77/570367577.db2.gz	LGARIUWONWUFPT-UHAJZMFGSA-N	-1	0	385.507	5.893	50	10		GKCARM
COC(=O)c1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(Cl)c1Cl	ZINC000004389843	570373090	/nfs/dbraw/zinc/37/30/90/570373090.db2.gz	UVMNODRZJKTUGP-QZQOTICOSA-N	-1	0	391.214	5.087	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cc(Cl)ccc1Cl	ZINC000004818920	570408247	/nfs/dbraw/zinc/40/82/47/570408247.db2.gz	NJJSYSIETPXYDR-UHFFFAOYSA-N	-1	0	378.230	5.607	50	10		GKCARM
Oc1c([C@@H](Nc2ccccn2)c2c(F)cccc2Cl)ccc2cccnc12	ZINC000005590468	570447954	/nfs/dbraw/zinc/44/79/54/570447954.db2.gz	YROVRAVZEVZWSW-HXUWFJFHSA-N	-1	0	379.822	5.329	50	10		GKCARM
Cc1ccc(C)n1-c1ccsc1-c1cc2nc(-c3ccccc3)cc(=O)n2[n-]1	ZINC000100927263	570781059	/nfs/dbraw/zinc/78/10/59/570781059.db2.gz	KIDHUOSIKDFKSM-UHFFFAOYSA-N	-1	0	386.480	5.238	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(Br)cc2)n1CCc1ccccc1	ZINC000003634692	570879589	/nfs/dbraw/zinc/87/95/89/570879589.db2.gz	RFHHHSXGBAYTFL-UHFFFAOYSA-N	-1	0	398.300	5.178	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1N=Nc1ccc(Cl)c(Cl)c1	ZINC000252600944	571005233	/nfs/dbraw/zinc/00/52/33/571005233.db2.gz	DWHMHKGGJCUFAP-UHFFFAOYSA-N	-1	0	381.650	6.262	50	10		GKCARM
O=C([O-])[C@H]1CC(c2ccccc2)=C(c2ccccc2)C[C@H]1C(=O)c1ccccc1	ZINC000000771811	209263979	/nfs/dbraw/zinc/26/39/79/209263979.db2.gz	BSSGORVBEHMAOO-RPWUZVMVSA-N	-1	0	382.459	5.591	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1C1=NN[C@@H](c2ccc(Cl)cc2Cl)C1	ZINC000005023928	209231499	/nfs/dbraw/zinc/23/14/99/209231499.db2.gz	SAJDXPVYCZVHHL-CYBMUJFWSA-N	-1	0	376.070	5.445	50	10		GKCARM
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Oc2cccc3ccccc32)cc1	ZINC000001517381	212249562	/nfs/dbraw/zinc/24/95/62/212249562.db2.gz	YSPQWBJQLWUWKL-NHCUHLMSSA-N	-1	0	387.435	5.238	50	10		GKCARM
CCN(CC)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)[O-])cc1	ZINC000057209179	205155269	/nfs/dbraw/zinc/15/52/69/205155269.db2.gz	QUWAQVNHTYTWFP-FBMGVBCBSA-N	-1	0	386.495	5.656	50	10		GKCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccccc2C(F)(F)F)cc1	ZINC000001072866	206349793	/nfs/dbraw/zinc/34/97/93/206349793.db2.gz	RUDNIOFFLPQNQV-UHFFFAOYSA-N	-1	0	389.373	5.189	50	10		GKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2	ZINC000037613806	210744397	/nfs/dbraw/zinc/74/43/97/210744397.db2.gz	QZZJFGFQSQOUKI-IGCXYCKISA-N	-1	0	393.792	5.884	50	10		GKCARM
O=C1[N-]C(=O)N(c2ccc(Cl)cc2)C(=O)C1=Cc1ccc(Cl)cc1Cl	ZINC000033294973	208995614	/nfs/dbraw/zinc/99/56/14/208995614.db2.gz	LTBOBBZKPODHCJ-QPEQYQDCSA-N	-1	0	395.629	5.154	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000103744410	570296629	/nfs/dbraw/zinc/29/66/29/570296629.db2.gz	ROVGWIANEKFCGU-DUPNKOKHSA-N	-1	0	395.875	5.339	50	10		GKCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1c(Cl)cc(Cl)cc1Cl	ZINC000100148625	570308201	/nfs/dbraw/zinc/30/82/01/570308201.db2.gz	QAJSYWOMZATKIP-LCYFTJDESA-N	-1	0	380.662	5.365	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1cccc(Cl)c1Cl	ZINC000100148601	570308307	/nfs/dbraw/zinc/30/83/07/570308307.db2.gz	QNPZMTWGWYEHNG-UKTHLTGXSA-N	-1	0	380.662	5.365	50	10		GKCARM
Cc1ccc(C)c(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1	ZINC000004662953	570390568	/nfs/dbraw/zinc/39/05/68/570390568.db2.gz	ZYDAZODOIRMFBV-UHFFFAOYSA-N	-1	0	398.300	5.541	50	10		GKCARM
CCc1ccc(NC2=NC(=O)C(=Cc3cc(Cl)c([O-])c(Cl)c3)S2)cc1	ZINC000005794729	570456888	/nfs/dbraw/zinc/45/68/88/570456888.db2.gz	IVJIHNOZKVJPEN-OQLLNIDSSA-N	-1	0	393.295	5.344	50	10		GKCARM
Cc1ccccc1N1C(=O)/C(=C\c2cc(Cl)c([O-])c(Cl)c2)SC1=S	ZINC000006413151	570479459	/nfs/dbraw/zinc/47/94/59/570479459.db2.gz	CBXMZTRHSGILRF-RIYZIHGNSA-N	-1	0	396.320	5.413	50	10		GKCARM
O=C1c2ccccc2N[C@@H](c2cc(Cl)cc(Cl)c2[O-])N1Cc1ccco1	ZINC000007112919	570792192	/nfs/dbraw/zinc/79/21/92/570792192.db2.gz	JXGKRQMCAKLNQR-GOSISDBHSA-N	-1	0	389.238	5.059	50	10		GKCARM
COc1ccc(C2=Nc3ccccc3N=C(c3ccc4ccccc4c3[O-])C2)cc1	ZINC000004550853	570896755	/nfs/dbraw/zinc/89/67/55/570896755.db2.gz	YCBFNTKMNVLGDG-UHFFFAOYSA-N	-1	0	392.458	6.199	50	10		GKCARM
CCCCCn1c2ccccc2nc1NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000001757701	209338816	/nfs/dbraw/zinc/33/88/16/209338816.db2.gz	GYWRQLJSOGRDGJ-UHFFFAOYSA-N	-1	0	378.303	5.851	50	10		GKCARM
CCOC(=O)c1c(NCc2cc(Cl)cc(Cl)c2[O-])sc2c1CCC2	ZINC000000975729	209285443	/nfs/dbraw/zinc/28/54/43/209285443.db2.gz	TVTTYHSQHJBWBB-UHFFFAOYSA-N	-1	0	386.300	5.038	50	10		GKCARM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Br)cc2)c1C	ZINC000001151639	212223893	/nfs/dbraw/zinc/22/38/93/212223893.db2.gz	TYQOBDGIZTWECV-UHFFFAOYSA-N	-1	0	398.300	5.541	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)c(C(F)(F)F)c1	ZINC000000678201	212173301	/nfs/dbraw/zinc/17/33/01/212173301.db2.gz	XOKRNWGMHPTGCF-UHFFFAOYSA-N	-1	0	393.792	5.834	50	10		GKCARM
[O-]c1c(Cl)cc(Cl)cc1C1=NN[C@H](c2ccc(Cl)cc2Cl)C1	ZINC000005023924	212146130	/nfs/dbraw/zinc/14/61/30/212146130.db2.gz	SAJDXPVYCZVHHL-ZDUSSCGKSA-N	-1	0	376.070	5.445	50	10		GKCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Br)cc2)cc1	ZINC000001149562	203890630	/nfs/dbraw/zinc/89/06/30/203890630.db2.gz	ANAHTYFHFCUMDX-UHFFFAOYSA-N	-1	0	384.273	5.232	50	10		GKCARM
C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(Cl)cc(Cl)c2[O-])N3)C1	ZINC000004571662	204054734	/nfs/dbraw/zinc/05/47/34/204054734.db2.gz	UXXIQQAUVNZUKS-MLXNANBUSA-N	-1	0	383.300	5.314	50	10		GKCARM
O=C1c2ccccc2N[C@H](c2cc(Cl)cc(Cl)c2[O-])N1Cc1ccco1	ZINC000007112920	204233416	/nfs/dbraw/zinc/23/34/16/204233416.db2.gz	JXGKRQMCAKLNQR-SFHVURJKSA-N	-1	0	389.238	5.059	50	10		GKCARM
Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000012412994	204406843	/nfs/dbraw/zinc/40/68/43/204406843.db2.gz	ROVGWIANEKFCGU-AWZKZOKMSA-N	-1	0	395.875	5.339	50	10		GKCARM
O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000003846900	206249962	/nfs/dbraw/zinc/24/99/62/206249962.db2.gz	JSAKRLDIZOGQTN-QURGRASLSA-N	-1	0	378.409	5.361	50	10	in-vitro	GKCARM
O=C1C=Cc2ccccc2C1=NNc1ccc(S(=O)(=O)[O-])c2ccccc12	ZINC000252670138	206281606	/nfs/dbraw/zinc/28/16/06/206281606.db2.gz	JSAKRLDIZOGQTN-UHFFFAOYSA-N	-1	0	378.409	5.361	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cc(Cl)ccc1O	ZINC000004675243	206539349	/nfs/dbraw/zinc/53/93/49/206539349.db2.gz	VRHFMXKGANGABJ-UHFFFAOYSA-N	-1	0	376.239	5.174	50	10		GKCARM
CC(C)n1[nH]c(=O)c2c1nc1c3ccc(O)c([O-])c3oc1c2C1CCCCC1	ZINC000095480468	208195518	/nfs/dbraw/zinc/19/55/18/208195518.db2.gz	XVHABHGTUAKBBQ-UHFFFAOYSA-N	-1	0	381.432	5.076	50	10		GKCARM
Cc1ccc([C@@H]2Nc3c(C(=O)[O-])cc(Br)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000020249852	210324990	/nfs/dbraw/zinc/32/49/90/210324990.db2.gz	PSRRAEGTCHKAMX-RKVPGOIHSA-N	-1	0	384.273	5.282	50	10		GKCARM
Cc1[n-]n(-c2cccc(Cl)c2)c(=O)c1N=Nc1cccc(C(F)(F)F)c1	ZINC000013469077	221269628	/nfs/dbraw/zinc/26/96/28/221269628.db2.gz	AZFIHTWCDPUGCK-FCQUAONHSA-N	-1	0	380.757	5.974	50	10		GKCARM
O=C([O-])c1ccc(Cl)c2c1[C@@H]1C=CC[C@H]1[C@H](c1cccc(C(F)(F)F)c1)N2	ZINC000059267084	222056295	/nfs/dbraw/zinc/05/62/95/222056295.db2.gz	QZZJFGFQSQOUKI-XNJGSVPQSA-N	-1	0	393.792	5.884	50	10		GKCARM
O=C1/C(=C/c2cc(Cl)cc(Cl)c2[O-])SC(=S)N1Cc1ccccc1	ZINC000001212343	570258477	/nfs/dbraw/zinc/25/84/77/570258477.db2.gz	IGMWXGYJQPCRBI-AUWJEWJLSA-N	-1	0	396.320	5.100	50	10		GKCARM
Oc1c([C@@H](Nc2ccc(OC(F)F)cc2)c2ccccn2)ccc2cccnc21	ZINC000001463277	570263773	/nfs/dbraw/zinc/26/37/73/570263773.db2.gz	NRORDDSTOHHTCI-HXUWFJFHSA-N	-1	0	393.393	5.138	50	10		GKCARM
Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Br)cc1	ZINC000002993287	570324286	/nfs/dbraw/zinc/32/42/86/570324286.db2.gz	NVSWWJBYVKHLET-UHFFFAOYSA-N	-1	0	384.273	5.232	50	10		GKCARM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2CCOc2ccccc2Cl)cc1	ZINC000006811724	570616210	/nfs/dbraw/zinc/61/62/10/570616210.db2.gz	CBCCLCQDMLLSJW-UHFFFAOYSA-N	-1	0	383.875	5.213	50	10		GKCARM
Cc1[n-]n(-c2ccc(Cl)cc2)c(=O)c1C=Nc1nc(-c2ccccc2)cs1	ZINC000101346600	570820939	/nfs/dbraw/zinc/82/09/39/570820939.db2.gz	SSXJFDFHZXDZOJ-BOPFTXTBSA-N	-1	0	394.887	5.182	50	10		GKCARM
O=C([O-])c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000004690259	570835402	/nfs/dbraw/zinc/83/54/02/570835402.db2.gz	YMCHKRRBEQYBKU-VBQJREDUSA-N	-1	0	388.236	5.113	50	10		GKCARM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1	ZINC000004575323	570903165	/nfs/dbraw/zinc/90/31/65/570903165.db2.gz	VFEPAYQAMPXWKH-UHFFFAOYSA-N	-1	0	393.792	5.834	50	10		GKCARM
Cc1ccc(C(=O)[O-])cc1/N=N/c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1	ZINC000018191775	210216944	/nfs/dbraw/zinc/21/69/44/210216944.db2.gz	FUPQTGAMJXZBRK-CYYJNZCTSA-N	-1	0	382.423	6.166	50	10		GKCARM