smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cccc2c1N[C@@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21	ZINC000000029109	564012232	/nfs/dbraw/zinc/01/22/32/564012232.db2.gz	YSSDNCFNJKGWHI-CDXJDZJCSA-N	-1	0	341.410	5.365	40	10		EKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21	ZINC000001013842	564012968	/nfs/dbraw/zinc/01/29/68/564012968.db2.gz	YSSDNCFNJKGWHI-PLMTUMEDSA-N	-1	0	341.410	5.365	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@@H]21	ZINC000001461966	563390611	/nfs/dbraw/zinc/39/06/11/563390611.db2.gz	MIUBSDCCDUMSBA-ZRGWGRIASA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000004320929	210170132	/nfs/dbraw/zinc/17/01/32/210170132.db2.gz	JOGOJDAYENVHIR-DOXZYTNZSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(Cl)c2c1N[C@@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000004320931	210170000	/nfs/dbraw/zinc/17/00/00/210170000.db2.gz	JOGOJDAYENVHIR-KHYOSLBOSA-N	-1	0	339.822	5.173	40	10		EKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@H]21	ZINC000004714347	210256847	/nfs/dbraw/zinc/25/68/47/210256847.db2.gz	YSSDNCFNJKGWHI-YRISNDGFSA-N	-1	0	341.410	5.365	40	10		EKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21	ZINC000004714348	210255866	/nfs/dbraw/zinc/25/58/66/210255866.db2.gz	YSSDNCFNJKGWHI-DJPFJPOOSA-N	-1	0	341.410	5.365	40	10		EKCBRM
O=C([O-])c1cccc2c1N[C@@H](c1cccc3ccccc31)[C@H]1CC=C[C@H]21	ZINC000004714349	210256851	/nfs/dbraw/zinc/25/68/51/210256851.db2.gz	YSSDNCFNJKGWHI-MDKPJZGXSA-N	-1	0	341.410	5.365	40	10		EKCBRM
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000004828569	564028689	/nfs/dbraw/zinc/02/86/89/564028689.db2.gz	XORRMCWMRYNNOM-WVQJBOLRSA-N	-1	0	343.785	5.004	40	10		EKCBRM
CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@H]32)cc1	ZINC000006324082	564129646	/nfs/dbraw/zinc/12/96/46/564129646.db2.gz	BXEMYFIDOUOVGK-UEXGIBASSA-N	-1	0	347.458	5.509	40	10		EKCBRM
CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000006324146	564129665	/nfs/dbraw/zinc/12/96/65/564129665.db2.gz	BXEMYFIDOUOVGK-WFXMLNOXSA-N	-1	0	347.458	5.509	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@H]1CC=C[C@H]21	ZINC000006715046	210688821	/nfs/dbraw/zinc/68/88/21/210688821.db2.gz	MIUBSDCCDUMSBA-YZVOILCLSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@H]21	ZINC000006715050	564015033	/nfs/dbraw/zinc/01/50/33/564015033.db2.gz	MIUBSDCCDUMSBA-QMTMVMCOSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@H]21	ZINC000006721368	564015041	/nfs/dbraw/zinc/01/50/41/564015041.db2.gz	AYUZAOKWKBOCBY-JMERFSKESA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@H]21	ZINC000006721369	564015031	/nfs/dbraw/zinc/01/50/31/564015031.db2.gz	AYUZAOKWKBOCBY-QUJCMNEKSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@H]1CC=C[C@@H]21	ZINC000006721370	210690210	/nfs/dbraw/zinc/69/02/10/210690210.db2.gz	AYUZAOKWKBOCBY-NQCMUKECSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1Cl)[C@@H]1CC=C[C@@H]21	ZINC000006721371	206518715	/nfs/dbraw/zinc/51/87/15/206518715.db2.gz	AYUZAOKWKBOCBY-VPZZIHKRSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@H]21	ZINC000008336053	564129653	/nfs/dbraw/zinc/12/96/53/564129653.db2.gz	RYMJEQZBCQDNMS-TXPKVOOTSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@H]21	ZINC000008336083	564129650	/nfs/dbraw/zinc/12/96/50/564129650.db2.gz	RYMJEQZBCQDNMS-FRQCXROJSA-N	-1	0	339.822	5.173	40	10		EKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21	ZINC000013575388	564020196	/nfs/dbraw/zinc/02/01/96/564020196.db2.gz	YSSDNCFNJKGWHI-HGHGUNKESA-N	-1	0	341.410	5.365	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@@H](c1cccc(Cl)c1)[C@H]1CC=C[C@@H]21	ZINC000016291430	211893576	/nfs/dbraw/zinc/89/35/76/211893576.db2.gz	LZPULCMYARCGBK-VCBZYWHSSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)C=C2[O-])c(C)c1	ZINC000017967898	563846738	/nfs/dbraw/zinc/84/67/38/563846738.db2.gz	IEAVHKYXMGYCCH-RLPYSRNMSA-N	-1	0	346.390	6.545	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1)[C@@H]1CC=C[C@@H]21	ZINC000020058201	564025715	/nfs/dbraw/zinc/02/57/15/564025715.db2.gz	MIUBSDCCDUMSBA-SPYBWZPUSA-N	-1	0	339.822	5.173	40	10		EKCBRM
CCCN(CCC)c1ccc(/N=N\c2ccccc2C(=O)[O-])cc1	ZINC000033246169	564050132	/nfs/dbraw/zinc/05/01/32/564050132.db2.gz	LIIDWKDFORMMDQ-MRCUWXFGSA-N	-1	0	325.412	5.427	40	10		EKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1F)N2	ZINC000033786747	202269124	/nfs/dbraw/zinc/26/91/24/202269124.db2.gz	VBRRXVCEHHNNNO-XWCIJXRUSA-N	-1	0	343.785	5.004	40	10		EKCBRM
Cc1cccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)c1	ZINC000043769624	213596793	/nfs/dbraw/zinc/59/67/93/213596793.db2.gz	IZUOHUNJPKZQET-QWQRMKEZSA-N	-1	0	339.822	5.173	40	10		EKCBRM
O=C([O-])C1=CC(=NNc2ccccc2)C=C(Cc2ccccc2)C1=O	ZINC000057352742	214421478	/nfs/dbraw/zinc/42/14/78/214421478.db2.gz	HNWDNUHWAFRWRP-QURGRASLSA-N	-1	0	332.359	5.097	40	10		EKCBRM
CC1=CC(=NNc2ccc(Cl)c(Cl)c2)C=C(C(=O)[O-])C1=O	ZINC000070462746	215697665	/nfs/dbraw/zinc/69/76/65/215697665.db2.gz	QWKNCOJDXYZSNF-ISLYRVAYSA-N	-1	0	325.151	5.121	40	10		EKCBRM
Cc1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1	ZINC000102957020	219243608	/nfs/dbraw/zinc/24/36/08/219243608.db2.gz	GBVMRMUXLFFIFZ-WCWDXBQESA-N	-1	0	342.398	5.213	40	10		EKCBRM
Cc1ccccc1N=NC(C(=O)c1ccccc1)=C([O-])c1ccccc1	ZINC000102977539	219245399	/nfs/dbraw/zinc/24/53/99/219245399.db2.gz	URUHRRSCTBUPDX-WCWDXBQESA-N	-1	0	342.398	5.213	40	10		EKCBRM
O=c1[nH]c2ccccc2c([O-])c1N=Nc1cccc(C(F)(F)F)c1	ZINC000104045345	219342740	/nfs/dbraw/zinc/34/27/40/219342740.db2.gz	ORYPRHGBFOTRPT-DQRAZIAOSA-N	-1	0	333.269	5.080	40	10		EKCBRM
O=c1[nH]c2ccccc2c([O-])c1N=Nc1cccc(C(F)(F)F)c1	ZINC000104045351	204095844	/nfs/dbraw/zinc/09/58/44/204095844.db2.gz	ORYPRHGBFOTRPT-QURGRASLSA-N	-1	0	333.269	5.080	40	10		EKCBRM
Cc1ccc(N=NC(C(=O)c2ccccc2)=C([O-])c2ccccc2)cc1	ZINC000104290085	219371129	/nfs/dbraw/zinc/37/11/29/219371129.db2.gz	GBVMRMUXLFFIFZ-VHXPQNKSSA-N	-1	0	342.398	5.213	40	10		EKCBRM
Cc1ccccc1N=NC(C(=O)c1ccccc1)=C([O-])c1ccccc1	ZINC000104290092	219370254	/nfs/dbraw/zinc/37/02/54/219370254.db2.gz	URUHRRSCTBUPDX-VHXPQNKSSA-N	-1	0	342.398	5.213	40	10		EKCBRM
Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)C=C2[O-])c(C)c1	ZINC000104366909	219380694	/nfs/dbraw/zinc/38/06/94/219380694.db2.gz	IEAVHKYXMGYCCH-ICHHBZPXSA-N	-1	0	346.390	6.545	40	10		EKCBRM
Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)C=C2[O-])c(C)c1	ZINC000104366914	219379956	/nfs/dbraw/zinc/37/99/56/219379956.db2.gz	IEAVHKYXMGYCCH-ZCAPXNBXSA-N	-1	0	346.390	6.545	40	10		EKCBRM
Cc1ccccc1N=Nc1ccc(NN=C2C=CC(=O)C=C2[O-])c(C)c1	ZINC000104366917	219380729	/nfs/dbraw/zinc/38/07/29/219380729.db2.gz	IEAVHKYXMGYCCH-KATZTRTISA-N	-1	0	346.390	6.545	40	10		EKCBRM
CCCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408736478	563870748	/nfs/dbraw/zinc/87/07/48/563870748.db2.gz	VLMNQZMFYHSYGB-LQWHRVPQSA-N	-1	0	349.430	5.000	40	10		EKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(F)cc1)N2	ZINC000408826783	257888157	/nfs/dbraw/zinc/88/81/57/257888157.db2.gz	CZLLOMJQTSTURR-KEYYUXOJSA-N	-1	0	343.785	5.004	40	10		EKCBRM
Cc1ccc(C)c([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408872381	257886909	/nfs/dbraw/zinc/88/69/09/257886909.db2.gz	MFOFNHLEJFGSFO-LLGFUMIMSA-N	-1	0	333.431	5.137	40	10		EKCBRM
Cc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408940062	564008176	/nfs/dbraw/zinc/00/81/76/564008176.db2.gz	BSFARZKYIZFOAE-UHFFFAOYSA-N	-1	0	339.822	5.123	40	10		EKCBRM
CC(C)c1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccccc2)cc1	ZINC000408940759	257885783	/nfs/dbraw/zinc/88/57/83/257885783.db2.gz	CYBKTKKXKCXWEV-UHFFFAOYSA-N	-1	0	333.431	5.285	40	10		EKCBRM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1	ZINC000408941539	564008172	/nfs/dbraw/zinc/00/81/72/564008172.db2.gz	DVHNQTRHRGBMIJ-UHFFFAOYSA-N	-1	0	339.822	5.123	40	10		EKCBRM
Cc1cc(Cl)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000408950041	564008209	/nfs/dbraw/zinc/00/82/09/564008209.db2.gz	RLIIGDZXFFCYFX-UHFFFAOYSA-N	-1	0	339.822	5.123	40	10		EKCBRM
O=C([O-])CCc1ccc(-c2cccs2)n1-c1ccc2ccccc2c1	ZINC000408950901	564008276	/nfs/dbraw/zinc/00/82/76/564008276.db2.gz	SPAWOVJONJZLKU-UHFFFAOYSA-N	-1	0	347.439	5.376	40	10		EKCBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc2ccccc2c1	ZINC000408951379	563914445	/nfs/dbraw/zinc/91/44/45/563914445.db2.gz	TWUSXMANCFHCTK-UHFFFAOYSA-N	-1	0	341.410	5.315	40	10		EKCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccccc1[S-]	ZINC000408965055	564008388	/nfs/dbraw/zinc/00/83/88/564008388.db2.gz	GAIPIHJXGGZUFK-UHFFFAOYSA-N	-1	0	344.277	5.504	40	10		EKCBRM
Cc1ccc(C2=C/C(=C\c3c(O)ccc4ccccc43)C(=O)O2)cc1C	ZINC000409051737	564009222	/nfs/dbraw/zinc/00/92/22/564009222.db2.gz	FZFCRYYPGOZUJA-LDADJPATSA-N	-1	0	342.394	5.144	40	10		EKCBRM
CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000409150761	257877252	/nfs/dbraw/zinc/87/72/52/257877252.db2.gz	DRMCFRVGMOCQOK-LZJOCLMNSA-N	-1	0	333.431	5.082	40	10		EKCBRM
CCc1ccc([C@@H]2Nc3c(C)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409150763	563963931	/nfs/dbraw/zinc/96/39/31/563963931.db2.gz	DRMCFRVGMOCQOK-WWMYMODYSA-N	-1	0	333.431	5.082	40	10		EKCBRM
CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409151696	563963926	/nfs/dbraw/zinc/96/39/26/563963926.db2.gz	BXEMYFIDOUOVGK-LQWHRVPQSA-N	-1	0	347.458	5.509	40	10		EKCBRM
CC(C)(C)c1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000409151700	564010517	/nfs/dbraw/zinc/01/05/17/564010517.db2.gz	BXEMYFIDOUOVGK-OPYAIIAOSA-N	-1	0	347.458	5.509	40	10		EKCBRM
Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000409154293	564010610	/nfs/dbraw/zinc/01/06/10/564010610.db2.gz	GMYUFYRIIBSCFC-DEYYWGMASA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409154297	563964041	/nfs/dbraw/zinc/96/40/41/563964041.db2.gz	GMYUFYRIIBSCFC-GLJUWKHASA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@H]32)cc1	ZINC000409154300	563964035	/nfs/dbraw/zinc/96/40/35/563964035.db2.gz	GMYUFYRIIBSCFC-IYOUNJFTSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000409154303	564010634	/nfs/dbraw/zinc/01/06/34/564010634.db2.gz	GMYUFYRIIBSCFC-LBTNJELSSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409158541	563966380	/nfs/dbraw/zinc/96/63/80/563966380.db2.gz	RJJUJLRQUIQBID-LPMFXHHGSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409158547	564010549	/nfs/dbraw/zinc/01/05/49/564010549.db2.gz	RJJUJLRQUIQBID-TYILLQQXSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409158616	257876891	/nfs/dbraw/zinc/87/68/91/257876891.db2.gz	XSPQCFVVYLTAPN-NQCMUKECSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1c(Cl)ccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409158620	563966365	/nfs/dbraw/zinc/96/63/65/563966365.db2.gz	XSPQCFVVYLTAPN-VPZZIHKRSA-N	-1	0	339.822	5.173	40	10		EKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@@H]2C=CC[C@H]21	ZINC000409163760	564010669	/nfs/dbraw/zinc/01/06/69/564010669.db2.gz	XLGZLWYORQKFQM-DRSNIGMVSA-N	-1	0	341.410	5.365	40	10		EKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c3ccccc3ccc2[C@@H]2C=CC[C@@H]21	ZINC000409163761	564010683	/nfs/dbraw/zinc/01/06/83/564010683.db2.gz	XLGZLWYORQKFQM-HYFFOGBASA-N	-1	0	341.410	5.365	40	10		EKCBRM
CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409165240	257876182	/nfs/dbraw/zinc/87/61/82/257876182.db2.gz	VDUDVYLAZNSNCE-WJPUGNRLSA-N	-1	0	333.431	5.335	40	10		EKCBRM
CC(C)c1cccc2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409165241	257876392	/nfs/dbraw/zinc/87/63/92/257876392.db2.gz	VDUDVYLAZNSNCE-XPIZARPCSA-N	-1	0	333.431	5.335	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409166743	563967163	/nfs/dbraw/zinc/96/71/63/563967163.db2.gz	FSVGOGXKWGBDON-JBYIUTFZSA-N	-1	0	347.458	5.643	40	10		EKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)C)cc1)[C@H]1CC=C[C@@H]21	ZINC000409166746	257876417	/nfs/dbraw/zinc/87/64/17/257876417.db2.gz	FSVGOGXKWGBDON-KGVIQGDOSA-N	-1	0	347.458	5.643	40	10		EKCBRM
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@H]1CC=C[C@@H]21	ZINC000409172351	257876440	/nfs/dbraw/zinc/87/64/40/257876440.db2.gz	CTMGHAOEWKGNPN-NQCMUKECSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc(Cl)c2c1N[C@H](c1ccccc1C(=O)[O-])[C@@H]1CC=C[C@@H]21	ZINC000409172352	563967518	/nfs/dbraw/zinc/96/75/18/563967518.db2.gz	CTMGHAOEWKGNPN-VPZZIHKRSA-N	-1	0	339.822	5.173	40	10		EKCBRM
CCc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409175081	563968060	/nfs/dbraw/zinc/96/80/60/563968060.db2.gz	PPUJWEHSFVYSPQ-LQWHRVPQSA-N	-1	0	333.431	5.082	40	10		EKCBRM
CCc1ccc([C@@H]2Nc3c(C)c(C(=O)[O-])ccc3[C@@H]3C=CC[C@H]32)cc1	ZINC000409175082	257875818	/nfs/dbraw/zinc/87/58/18/257875818.db2.gz	PPUJWEHSFVYSPQ-OPYAIIAOSA-N	-1	0	333.431	5.082	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@@H]1CC=C[C@@H]21	ZINC000409175499	564010772	/nfs/dbraw/zinc/01/07/72/564010772.db2.gz	RYMJEQZBCQDNMS-GPMSIDNRSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(Cl)cc2c1N[C@H](c1ccc(C(=O)[O-])cc1)[C@H]1CC=C[C@@H]21	ZINC000409175501	564010759	/nfs/dbraw/zinc/01/07/59/564010759.db2.gz	RYMJEQZBCQDNMS-JTDSTZFVSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1ccc([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409185044	257875969	/nfs/dbraw/zinc/87/59/69/257875969.db2.gz	QNCUFNLWLSNYAR-VKJFTORMSA-N	-1	0	339.822	5.173	40	10		EKCBRM
Cc1cc(-c2nc3ccccc3s2)c(C)n1-c1ccc(C(=O)[O-])cc1	ZINC000409189268	564010861	/nfs/dbraw/zinc/01/08/61/564010861.db2.gz	OFNAHXKCFCCTMX-UHFFFAOYSA-N	-1	0	348.427	5.069	40	10		EKCBRM