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-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2	ZINC000000847288	210281051	/nfs/dbraw/zinc/28/10/51/210281051.db2.gz	DLSUYVWZOWUVHV-VEVIJQCQSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1	ZINC000000871788	219334138	/nfs/dbraw/zinc/33/41/38/219334138.db2.gz	KBWDYBOXSLHMSD-OGHNNQOOSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1	ZINC000001408603	209389653	/nfs/dbraw/zinc/38/96/53/209389653.db2.gz	KBWDYBOXSLHMSD-GDZNZVCISA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000001461877	206227074	/nfs/dbraw/zinc/22/70/74/206227074.db2.gz	IQZKBDLGUPNMAH-GRDNDAEWSA-N	-1	0	360.240	5.518	40	10		FKCBRM
CC(=O)CCc1cc2c(cc1/N=N\c1ccccc1C(=O)[O-])CC[C@H](C)N2	ZINC000003844794	570568420	/nfs/dbraw/zinc/56/84/20/570568420.db2.gz	JZTCOJKNZPNJHD-HYWQHPILSA-N	-1	0	365.433	5.068	40	10		FKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004126721	136151760	/nfs/dbraw/zinc/15/17/60/136151760.db2.gz	KFAJWONJZWSPHN-PTGRRLNYSA-N	-1	0	369.464	5.279	40	10		FKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1CN3[C@@H](c1ccccc1)[C@@H]1CC=C[C@H]21	ZINC000004126722	136151767	/nfs/dbraw/zinc/15/17/67/136151767.db2.gz	KFAJWONJZWSPHN-SIHNRPMKSA-N	-1	0	369.464	5.279	40	10		FKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21	ZINC000004126723	136151743	/nfs/dbraw/zinc/15/17/43/136151743.db2.gz	KFAJWONJZWSPHN-BYWRUVHUSA-N	-1	0	369.464	5.279	40	10		FKCBRM
O=C([O-])c1cc2c3c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccc1)N3C[C@H]1CC=C[C@H]21	ZINC000004126725	136151744	/nfs/dbraw/zinc/15/17/44/136151744.db2.gz	KFAJWONJZWSPHN-KNCYDQBVSA-N	-1	0	369.464	5.279	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(cccc3C(F)(F)F)[C@@H]3C=CC[C@@H]32)cc1	ZINC000004172122	206235765	/nfs/dbraw/zinc/23/57/65/206235765.db2.gz	UXCAARMZVPNWPL-KEYYUXOJSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccc(C(F)(F)F)c1)N2	ZINC000004172167	204126174	/nfs/dbraw/zinc/12/61/74/204126174.db2.gz	OYEWNVBRZZRMPM-VKJFTORMSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@H]32)cc1	ZINC000004181744	570665950	/nfs/dbraw/zinc/66/59/50/570665950.db2.gz	KBWDYBOXSLHMSD-AHIWAGSCSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@H]3C=CC[C@@H]32)cc1	ZINC000004181748	570665930	/nfs/dbraw/zinc/66/59/30/570665930.db2.gz	KBWDYBOXSLHMSD-DCGLDWPTSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2	ZINC000004182061	207006671	/nfs/dbraw/zinc/00/66/71/207006671.db2.gz	DLSUYVWZOWUVHV-ZJNRKIDTSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@H]21	ZINC000004409810	203808118	/nfs/dbraw/zinc/80/81/18/203808118.db2.gz	WFPRFHVNTFKWKM-DINDLPBHSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@H]21	ZINC000004409812	206688353	/nfs/dbraw/zinc/68/83/53/206688353.db2.gz	WFPRFHVNTFKWKM-RVPKQNPDSA-N	-1	0	360.240	5.518	40	10		FKCBRM
Cc1oc(C(=O)[O-])cc1COc1ccc(C(C)(C)c2ccccc2)cc1	ZINC000004851318	206182708	/nfs/dbraw/zinc/18/27/08/206182708.db2.gz	FMWVPVXWXGWPQS-UHFFFAOYSA-N	-1	0	350.414	5.191	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@H]32)cc1	ZINC000006970858	571309645	/nfs/dbraw/zinc/30/96/45/571309645.db2.gz	AGTPLDUUGYAYPN-DAYGRLMNSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@H]3C=CC[C@@H]32)cc1	ZINC000006970867	570788809	/nfs/dbraw/zinc/78/88/09/570788809.db2.gz	AGTPLDUUGYAYPN-MPGHIAIKSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(-c4ccccc4)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000007096697	263349191	/nfs/dbraw/zinc/34/91/91/263349191.db2.gz	WVODSHVBWGHTJF-DPLHUUCSSA-N	-1	0	367.448	5.878	40	10		FKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1)N2	ZINC000008378158	207230801	/nfs/dbraw/zinc/23/08/01/207230801.db2.gz	SUMVSYDHEGOFHC-VBQJREDUSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1cc(Cl)c2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1)N2	ZINC000008379201	210785157	/nfs/dbraw/zinc/78/51/57/210785157.db2.gz	IHZVVMCLXQROPK-VBQJREDUSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	ZINC000011026160	570702727	/nfs/dbraw/zinc/70/27/27/570702727.db2.gz	WFPRFHVNTFKWKM-AGKHESDQSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1cccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	ZINC000011026164	570702770	/nfs/dbraw/zinc/70/27/70/570702770.db2.gz	WFPRFHVNTFKWKM-RLFDGXBXSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)ccc(Cl)c3[C@@H]3C=CC[C@H]32)cc1	ZINC000013389254	220066401	/nfs/dbraw/zinc/06/64/01/220066401.db2.gz	KBWDYBOXSLHMSD-XNJGSVPQSA-N	-1	0	360.240	5.518	40	10		FKCBRM
CC(=O)CCc1cc2c(cc1/N=N/c1ccccc1C(=O)[O-])CC[C@@H](C)N2	ZINC000013402706	204529934	/nfs/dbraw/zinc/52/99/34/204529934.db2.gz	JZTCOJKNZPNJHD-YOJUGNCBSA-N	-1	0	365.433	5.068	40	10		FKCBRM
CC(=O)CCc1cc2c(cc1/N=N/c1ccccc1C(=O)[O-])CC[C@H](C)N2	ZINC000013402710	220066836	/nfs/dbraw/zinc/06/68/36/220066836.db2.gz	JZTCOJKNZPNJHD-LRNBNYQNSA-N	-1	0	365.433	5.068	40	10		FKCBRM
S=C([N-]c1ccc(N=Nc2ccccc2)cc1)SCc1ccccc1	ZINC000018068753	220222779	/nfs/dbraw/zinc/22/27/79/220222779.db2.gz	LFWUBVCDKFYXJS-GHVJWSGMSA-N	-1	0	363.511	6.732	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(C(C)(F)F)c2)cc1	ZINC000033635981	263395779	/nfs/dbraw/zinc/39/57/79/263395779.db2.gz	XGZGFUNIPQUICO-UHFFFAOYSA-N	-1	0	369.411	5.582	40	10		FKCBRM
CC(C)c1ccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@H]3C=CC[C@@H]32)cc1	ZINC000033762472	208098124	/nfs/dbraw/zinc/09/81/24/208098124.db2.gz	ULGTZQFPISRTQD-TWOQFEAHSA-N	-1	0	367.876	5.988	40	10		FKCBRM
O=[N+]([O-])c1ccc([O-])c(CN(c2ccccc2)c2ccc3ccccc3c2)c1	ZINC000035183016	571075728	/nfs/dbraw/zinc/07/57/28/571075728.db2.gz	MYPHJSRFISXNAQ-UHFFFAOYSA-N	-1	0	370.408	5.792	40	10		FKCBRM
CC(C)c1ccc([C@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000043769627	205105587	/nfs/dbraw/zinc/10/55/87/205105587.db2.gz	ULGTZQFPISRTQD-GQIGUUNPSA-N	-1	0	367.876	5.988	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21	ZINC000059436996	571089126	/nfs/dbraw/zinc/08/91/26/571089126.db2.gz	IREWHZVQTXVDAE-BIENJYKASA-N	-1	0	373.374	5.539	40	10		FKCBRM
Cc1ccc2oc(=O)c(-c3ccccc3[S-])c(-c3ccc(O)cc3)c2c1	ZINC000071405001	221346813	/nfs/dbraw/zinc/34/68/13/221346813.db2.gz	IJUKKLIGEXYBBV-UHFFFAOYSA-N	-1	0	360.434	5.187	40	10		FKCBRM
CC(=O)CCc1cc2c(cc1/N=N\c1ccccc1C(=O)[O-])CC[C@@H](C)N2	ZINC000100369235	209213972	/nfs/dbraw/zinc/21/39/72/209213972.db2.gz	JZTCOJKNZPNJHD-ZPDKXBCBSA-N	-1	0	365.433	5.068	40	10		FKCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(-c2ccccc2)cc1	ZINC000100554606	222246113	/nfs/dbraw/zinc/24/61/13/222246113.db2.gz	ZEYQPHPXKFPKSI-WCWDXBQESA-N	-1	0	354.413	5.969	40	10		FKCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2oc3ccccc3c2c1	ZINC000100554631	206223902	/nfs/dbraw/zinc/22/39/02/206223902.db2.gz	JQGXSMWOCBXVCD-VANSDEMISA-N	-1	0	368.396	5.461	40	10		FKCBRM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc2oc3ccccc3c2c1	ZINC000100554633	222247173	/nfs/dbraw/zinc/24/71/73/222247173.db2.gz	JQGXSMWOCBXVCD-ZGBROZEESA-N	-1	0	368.396	5.461	40	10		FKCBRM
Cc1[n-]n(-c2ccc(C)cc2)c(=O)c1C=Nc1ccc(Cl)cc1Cl	ZINC000100922849	222257727	/nfs/dbraw/zinc/25/77/27/222257727.db2.gz	FFHZIPQGPFKDSB-GDNBJRDFSA-N	-1	0	360.244	5.020	40	10		FKCBRM
S=C([N-]c1ccc(N=Nc2ccccc2)cc1)SCc1ccccc1	ZINC000104191872	209259033	/nfs/dbraw/zinc/25/90/33/209259033.db2.gz	LFWUBVCDKFYXJS-FCQUAONHSA-N	-1	0	363.511	6.732	40	10		FKCBRM
CCCc1[n-]n(-c2ccccc2)c(=O)c1C(C)=Nc1ccccc1Cl	ZINC000112115042	570810501	/nfs/dbraw/zinc/81/05/01/570810501.db2.gz	HQZXTPCLNPHXHF-RGEXLXHISA-N	-1	0	353.853	5.229	40	10		FKCBRM
CC(=Nc1cc(Cl)ccc1Cl)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112116283	570810527	/nfs/dbraw/zinc/81/05/27/570810527.db2.gz	NFVAAVADXRSFKE-BOPFTXTBSA-N	-1	0	360.244	5.102	40	10		FKCBRM
CC(=Nc1ccc(Cl)cc1Cl)c1c(C)[n-]n(-c2ccccc2)c1=O	ZINC000112116289	570810367	/nfs/dbraw/zinc/81/03/67/570810367.db2.gz	GERTYVQTSKDGAZ-BOPFTXTBSA-N	-1	0	360.244	5.102	40	10		FKCBRM
CCCc1[n-]n(-c2ccc(F)cc2)c(=O)c1C(C)=Nc1ccccc1Cl	ZINC000112118770	570810933	/nfs/dbraw/zinc/81/09/33/570810933.db2.gz	MAHLXSDWPVTBJA-UYRXBGFRSA-N	-1	0	371.843	5.368	40	10		FKCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1cccc(C(=O)[O-])c1C	ZINC000139721602	571309993	/nfs/dbraw/zinc/30/99/93/571309993.db2.gz	BAPBSAOCBPGCAR-UHFFFAOYSA-N	-1	0	370.246	5.222	40	10		FKCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1ccc(C(=O)[O-])cc1C	ZINC000139766526	571309982	/nfs/dbraw/zinc/30/99/82/571309982.db2.gz	LAJAQVIXXFDERX-UHFFFAOYSA-N	-1	0	370.246	5.222	40	10		FKCBRM
Cc1ccc(-c2ccc(Br)cc2)n1-c1cc(C(=O)[O-])ccc1C	ZINC000169178154	571309994	/nfs/dbraw/zinc/30/99/94/571309994.db2.gz	MQWIKIKOBRRNTF-UHFFFAOYSA-N	-1	0	370.246	5.222	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000219235690	571277154	/nfs/dbraw/zinc/27/71/54/571277154.db2.gz	AGTPLDUUGYAYPN-VKJFTORMSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3c(Cl)c(Cl)ccc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000247409022	571316838	/nfs/dbraw/zinc/31/68/38/571316838.db2.gz	PAAZXGUSZYSUKW-IGCXYCKISA-N	-1	0	360.240	5.518	40	10		FKCBRM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1	ZINC000323847510	571319067	/nfs/dbraw/zinc/31/90/67/571319067.db2.gz	BJWFQISQWKPVGV-UHFFFAOYSA-N	-1	0	360.240	6.103	40	10		FKCBRM
Cc1[n-]n(-c2cccc(C)c2)c(=O)c1C=Nc1cc(Cl)ccc1Cl	ZINC000408527330	570508136	/nfs/dbraw/zinc/50/81/36/570508136.db2.gz	DISMLZWKTHUQPF-GDNBJRDFSA-N	-1	0	360.244	5.020	40	10		FKCBRM
CC(C)COc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408736136	570686252	/nfs/dbraw/zinc/68/62/52/570686252.db2.gz	HIYWDBMCDBBHMZ-DXIQSLLYSA-N	-1	0	363.457	5.246	40	10		FKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1c(Cl)cccc1Cl)N2	ZINC000408736326	263493317	/nfs/dbraw/zinc/49/33/17/263493317.db2.gz	QHIMOCYTRDPLQV-FTLABTOESA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)c(Cl)c1)N2	ZINC000408736454	263493005	/nfs/dbraw/zinc/49/30/05/263493005.db2.gz	UEFGZIAVUWAUSY-VBHSOAQHSA-N	-1	0	360.240	5.518	40	10		FKCBRM
CCCCOc1ccc([C@@H]2Nc3ccc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)cc1	ZINC000408736660	570974281	/nfs/dbraw/zinc/97/42/81/570974281.db2.gz	ZHZLYUQKEAIXML-DXIQSLLYSA-N	-1	0	363.457	5.390	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1c(Cl)cccc1Cl)[C@H]1CC=C[C@@H]21	ZINC000408825539	570690478	/nfs/dbraw/zinc/69/04/78/570690478.db2.gz	CZEHIEILIRXOOC-QHRIQVFBSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1ccc(C)c([C@@H]2Nc3c(Cl)cc(C(=O)[O-])cc3[C@@H]3C=CC[C@@H]32)c1	ZINC000408826610	263499544	/nfs/dbraw/zinc/49/95/44/263499544.db2.gz	HSEUIIXCZUQKKK-ZRGWGRIASA-N	-1	0	353.849	5.482	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CC=C[C@@H]21	ZINC000408842379	263499551	/nfs/dbraw/zinc/49/95/51/263499551.db2.gz	OIKBAHCPWATZPZ-TYILLQQXSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	ZINC000408855327	570693403	/nfs/dbraw/zinc/69/34/03/570693403.db2.gz	CJSNULHCPNGSOW-BIENJYKASA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc3ccccc3c2)cc1	ZINC000408938684	570701594	/nfs/dbraw/zinc/70/15/94/570701594.db2.gz	AACBQPPCPFOANT-UHFFFAOYSA-N	-1	0	355.437	5.623	40	10		FKCBRM
Cc1cccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)c1C	ZINC000408938713	571057856	/nfs/dbraw/zinc/05/78/56/571057856.db2.gz	AARIGZLMSBOWPW-UHFFFAOYSA-N	-1	0	353.849	5.432	40	10		FKCBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(Cl)c2C)cc1	ZINC000408938797	570701026	/nfs/dbraw/zinc/70/10/26/570701026.db2.gz	AFNCNSVDOCQROM-UHFFFAOYSA-N	-1	0	369.848	5.132	40	10		FKCBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C(C)C)cc2)cc1	ZINC000408939826	570701476	/nfs/dbraw/zinc/70/14/76/570701476.db2.gz	BOFOQSCHOATOPQ-UHFFFAOYSA-N	-1	0	363.457	5.294	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(Cl)c2C)cc1	ZINC000408940268	263509067	/nfs/dbraw/zinc/50/90/67/263509067.db2.gz	CBGGGOTWUPUUDM-UHFFFAOYSA-N	-1	0	353.849	5.432	40	10		FKCBRM
CCOc1ccccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408940932	570701486	/nfs/dbraw/zinc/70/14/86/570701486.db2.gz	DKAZGBZGSGFFST-UHFFFAOYSA-N	-1	0	369.848	5.214	40	10		FKCBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1ccc(Cl)c(Cl)c1	ZINC000408942499	570701983	/nfs/dbraw/zinc/70/19/83/570701983.db2.gz	GBDBLBBXOSHDBJ-UHFFFAOYSA-N	-1	0	360.240	5.468	40	10		FKCBRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1ccc2ccccc2c1	ZINC000408944153	570701647	/nfs/dbraw/zinc/70/16/47/570701647.db2.gz	IMWWBEDXCAGHRU-UHFFFAOYSA-N	-1	0	359.400	5.454	40	10		FKCBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc3ccccc32)cc1	ZINC000408944735	571059094	/nfs/dbraw/zinc/05/90/94/571059094.db2.gz	JOCRKNGWMBZKAF-UHFFFAOYSA-N	-1	0	371.436	5.323	40	10		FKCBRM
Cc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000408945187	570701473	/nfs/dbraw/zinc/70/14/73/570701473.db2.gz	KJWJWQBYQVNYAK-UHFFFAOYSA-N	-1	0	357.812	5.262	40	10		FKCBRM
Cc1c(Cl)cccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408945413	571059004	/nfs/dbraw/zinc/05/90/04/571059004.db2.gz	KPWYLRCCVZECCD-UHFFFAOYSA-N	-1	0	374.267	5.777	40	10		FKCBRM
Cc1c(Cl)cccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000408945519	570701638	/nfs/dbraw/zinc/70/16/38/570701638.db2.gz	KYFGDNTUEOBRKM-UHFFFAOYSA-N	-1	0	357.812	5.262	40	10		FKCBRM
O=C([O-])CCc1ccc(-c2ccc(F)cc2)n1-c1cccc2ccccc21	ZINC000408945521	263508933	/nfs/dbraw/zinc/50/89/33/263508933.db2.gz	KYKXHJWXAKUVFK-UHFFFAOYSA-N	-1	0	359.400	5.454	40	10		FKCBRM
Cc1ccc(Cl)cc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408947030	263509047	/nfs/dbraw/zinc/50/90/47/263509047.db2.gz	NMICHPULFWQPPW-UHFFFAOYSA-N	-1	0	374.267	5.777	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(Cl)cc2Cl)cc1	ZINC000408947569	570702394	/nfs/dbraw/zinc/70/23/94/570702394.db2.gz	NZACTPIEOMPADF-UHFFFAOYSA-N	-1	0	374.267	5.777	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc(Cl)c2Cl)cc1	ZINC000408948141	571059658	/nfs/dbraw/zinc/05/96/58/571059658.db2.gz	OVOCBBCRFFGFEA-UHFFFAOYSA-N	-1	0	374.267	5.777	40	10		FKCBRM
Cc1cc(Cl)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(Cl)cc1	ZINC000408948574	570702431	/nfs/dbraw/zinc/70/24/31/570702431.db2.gz	PNIRNCRYOWTQFR-UHFFFAOYSA-N	-1	0	374.267	5.777	40	10		FKCBRM
Cc1cc(Cl)ccc1-n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000408948680	571059652	/nfs/dbraw/zinc/05/96/52/571059652.db2.gz	PTXQHFNXYUTCLG-UHFFFAOYSA-N	-1	0	357.812	5.262	40	10		FKCBRM
CCOc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(Cl)cc2)cc1	ZINC000408948996	570702452	/nfs/dbraw/zinc/70/24/52/570702452.db2.gz	QFKOHIDGXMXRPV-UHFFFAOYSA-N	-1	0	369.848	5.214	40	10		FKCBRM
Cc1ccc(-c2ccc(CCC(=O)[O-])n2-c2cccc3ccccc32)cc1	ZINC000408949714	570701934	/nfs/dbraw/zinc/70/19/34/570701934.db2.gz	RKYZNTABNPCUPV-UHFFFAOYSA-N	-1	0	355.437	5.623	40	10		FKCBRM
Cc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(F)cc2)cc1Cl	ZINC000408950226	570701998	/nfs/dbraw/zinc/70/19/98/570701998.db2.gz	RSPIEMFJYBVNKN-UHFFFAOYSA-N	-1	0	357.812	5.262	40	10		FKCBRM
O=C([O-])CCc1ccc(-c2ccccc2)n1-c1cccc(Cl)c1Cl	ZINC000408951518	571060080	/nfs/dbraw/zinc/06/00/80/571060080.db2.gz	ULNFNOZOEGRLDT-UHFFFAOYSA-N	-1	0	360.240	5.468	40	10		FKCBRM
COc1ccc(-c2ccc(CCC(=O)[O-])n2-c2ccc(C)c(Cl)c2)cc1	ZINC000408951535	570702428	/nfs/dbraw/zinc/70/24/28/570702428.db2.gz	UQBMYKKRGPXYMC-UHFFFAOYSA-N	-1	0	369.848	5.132	40	10		FKCBRM
COc1ccc(-n2c(CCC(=O)[O-])ccc2-c2ccc(C)cc2)cc1Cl	ZINC000408953184	571061629	/nfs/dbraw/zinc/06/16/29/571061629.db2.gz	WZIDZUURHJEYQL-UHFFFAOYSA-N	-1	0	369.848	5.132	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@H]21	ZINC000409151922	570733348	/nfs/dbraw/zinc/73/33/48/570733348.db2.gz	CRNCUXZZPSIYFE-MFSJNOQSSA-N	-1	0	367.448	5.878	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(-c3ccccc3)cccc2[C@@H]2C=CC[C@@H]21	ZINC000409151924	571159688	/nfs/dbraw/zinc/15/96/88/571159688.db2.gz	CRNCUXZZPSIYFE-VAXXYWNWSA-N	-1	0	367.448	5.878	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409154952	571160430	/nfs/dbraw/zinc/16/04/30/571160430.db2.gz	LIVPYWYCZCUXDS-JBYIUTFZSA-N	-1	0	361.485	5.817	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@@H]21	ZINC000409154961	571160412	/nfs/dbraw/zinc/16/04/12/571160412.db2.gz	LIVPYWYCZCUXDS-KGVIQGDOSA-N	-1	0	361.485	5.817	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(F)(F)F)[C@H]1CC=C[C@@H]21	ZINC000409156244	571160770	/nfs/dbraw/zinc/16/07/70/571160770.db2.gz	NFBIIBOOFQABLM-NQCMUKECSA-N	-1	0	373.374	5.539	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccccc1C(F)(F)F)[C@@H]1CC=C[C@@H]21	ZINC000409156250	571160683	/nfs/dbraw/zinc/16/06/83/571160683.db2.gz	NFBIIBOOFQABLM-VPZZIHKRSA-N	-1	0	373.374	5.539	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc3ccccc31)[C@H]1CC=C[C@@H]21	ZINC000409160565	571200388	/nfs/dbraw/zinc/20/03/88/571200388.db2.gz	RMRGJNHIRIDFQP-HFJQGTKSSA-N	-1	0	355.437	5.673	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc3ccccc31)[C@@H]1CC=C[C@@H]21	ZINC000409160566	263535866	/nfs/dbraw/zinc/53/58/66/263535866.db2.gz	RMRGJNHIRIDFQP-LYHRCORUSA-N	-1	0	355.437	5.673	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CC=C[C@@H]21	ZINC000409160824	263535842	/nfs/dbraw/zinc/53/58/42/263535842.db2.gz	XINVOZCMAHTOLH-WOIUINJBSA-N	-1	0	361.485	5.817	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1ccc(C(C)(C)C)cc1)[C@H]1CC=C[C@@H]21	ZINC000409160828	570733357	/nfs/dbraw/zinc/73/33/57/570733357.db2.gz	XINVOZCMAHTOLH-XQBPLPMBSA-N	-1	0	361.485	5.817	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21	ZINC000409163940	571201217	/nfs/dbraw/zinc/20/12/17/571201217.db2.gz	ACJHXRWCVUJBQZ-BWACUDIHSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@@H]21	ZINC000409163941	263536219	/nfs/dbraw/zinc/53/62/19/263536219.db2.gz	ACJHXRWCVUJBQZ-NVGCLXPQSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21	ZINC000409163942	571201151	/nfs/dbraw/zinc/20/11/51/571201151.db2.gz	ACJHXRWCVUJBQZ-PSTGCABASA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000409163943	571201252	/nfs/dbraw/zinc/20/12/52/571201252.db2.gz	ACJHXRWCVUJBQZ-XWCIJXRUSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@H]21	ZINC000409163956	570734679	/nfs/dbraw/zinc/73/46/79/570734679.db2.gz	AHIQNYYRFYMZKL-CZIZLABSSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@H]2C=CC[C@@H]21	ZINC000409163957	571201236	/nfs/dbraw/zinc/20/12/36/571201236.db2.gz	AHIQNYYRFYMZKL-PSVSLLHZSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@@H]2C=CC[C@@H]21	ZINC000409163958	571201392	/nfs/dbraw/zinc/20/13/92/571201392.db2.gz	AHIQNYYRFYMZKL-VGTOOOLASA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)c(Cl)ccc2[C@H]2C=CC[C@H]21	ZINC000409163959	570734650	/nfs/dbraw/zinc/73/46/50/570734650.db2.gz	AHIQNYYRFYMZKL-WVQJBOLRSA-N	-1	0	360.240	5.518	40	10		FKCBRM
CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@H]32)cc1	ZINC000409164560	570734705	/nfs/dbraw/zinc/73/47/05/570734705.db2.gz	KGTCDDGSFDSNOF-CLCXKQKWSA-N	-1	0	353.849	5.427	40	10		FKCBRM
CCc1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)[O-])c3[C@@H]3C=CC[C@@H]32)cc1	ZINC000409164561	263536463	/nfs/dbraw/zinc/53/64/63/263536463.db2.gz	KGTCDDGSFDSNOF-VCBZYWHSSA-N	-1	0	353.849	5.427	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000409166244	570734701	/nfs/dbraw/zinc/73/47/01/570734701.db2.gz	CYOGPSCJUMXJNG-FTLABTOESA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000409166245	570734660	/nfs/dbraw/zinc/73/46/60/570734660.db2.gz	CYOGPSCJUMXJNG-OAVHHTNSSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21	ZINC000409166247	570734656	/nfs/dbraw/zinc/73/46/56/570734656.db2.gz	CYOGPSCJUMXJNG-SEDUGSJDSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000409166249	570734614	/nfs/dbraw/zinc/73/46/14/570734614.db2.gz	CYOGPSCJUMXJNG-VNBZBWLYSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21	ZINC000409166708	570734652	/nfs/dbraw/zinc/73/46/52/570734652.db2.gz	FKGVJUFFUZYVFJ-CZIZLABSSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000409166711	571202690	/nfs/dbraw/zinc/20/26/90/571202690.db2.gz	FKGVJUFFUZYVFJ-PSVSLLHZSA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000409166714	263536339	/nfs/dbraw/zinc/53/63/39/263536339.db2.gz	FKGVJUFFUZYVFJ-VGTOOOLASA-N	-1	0	360.240	5.518	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000409166717	571202633	/nfs/dbraw/zinc/20/26/33/571202633.db2.gz	FKGVJUFFUZYVFJ-WVQJBOLRSA-N	-1	0	360.240	5.518	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	ZINC000409167991	570735107	/nfs/dbraw/zinc/73/51/07/570735107.db2.gz	KOTAKFHETDTMLT-CLUVUEOHSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	ZINC000409167993	570735036	/nfs/dbraw/zinc/73/50/36/570735036.db2.gz	KOTAKFHETDTMLT-UFYHVXEKSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@H]1CC=C[C@@H]21	ZINC000409169139	571203007	/nfs/dbraw/zinc/20/30/07/571203007.db2.gz	PZZWJKDFQSNUAV-NQCMUKECSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1c(C(=O)[O-])ccc2c1N[C@H](c1cccc(Cl)c1Cl)[C@@H]1CC=C[C@@H]21	ZINC000409169142	571203018	/nfs/dbraw/zinc/20/30/18/571203018.db2.gz	PZZWJKDFQSNUAV-VPZZIHKRSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@H]1CC=C[C@@H]21	ZINC000409169405	570734199	/nfs/dbraw/zinc/73/41/99/570734199.db2.gz	QJYFNZRFEQIJDX-NQCMUKECSA-N	-1	0	374.267	5.827	40	10		FKCBRM
Cc1ccc(C(=O)[O-])c2c1N[C@H](c1ccc(Cl)cc1Cl)[C@@H]1CC=C[C@@H]21	ZINC000409169406	571202958	/nfs/dbraw/zinc/20/29/58/571202958.db2.gz	QJYFNZRFEQIJDX-VPZZIHKRSA-N	-1	0	374.267	5.827	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@@H]21	ZINC000409169502	570734151	/nfs/dbraw/zinc/73/41/51/570734151.db2.gz	RFGHXGTYQCSTLC-BWACUDIHSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2c(cccc2C(F)(F)F)[C@@H]2C=CC[C@H]21	ZINC000409169505	570734260	/nfs/dbraw/zinc/73/42/60/570734260.db2.gz	RFGHXGTYQCSTLC-PSTGCABASA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@@H]21	ZINC000409170414	570734218	/nfs/dbraw/zinc/73/42/18/570734218.db2.gz	VNKMLIOFIZDWRT-FHSNZYRGSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccccc1[C@@H]1Nc2ccc(C(F)(F)F)cc2[C@@H]2C=CC[C@H]21	ZINC000409170415	571203543	/nfs/dbraw/zinc/20/35/43/571203543.db2.gz	VNKMLIOFIZDWRT-SNUQEOBHSA-N	-1	0	359.347	5.230	40	10		FKCBRM
O=C([O-])c1ccc([C@@H]2Nc3ccc(C(F)(F)F)cc3[C@@H]3C=CC[C@H]32)cc1	ZINC000409171988	570735088	/nfs/dbraw/zinc/73/50/88/570735088.db2.gz	AGTPLDUUGYAYPN-RKVPGOIHSA-N	-1	0	359.347	5.230	40	10		FKCBRM