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](c1ccncc1)N2	ZINC000005813792	170142464	/nfs/dbraw/zinc/14/24/64/170142464.db2.gz	KRECIDINTYZSHC-CKEIUWERSA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1cc(CC(=O)[O-])c(C)n1-c1c(C)cc(C)cc1C	ZINC000003630620	566909242	/nfs/dbraw/zinc/90/92/42/566909242.db2.gz	LFRPOGIEKIVJQI-UHFFFAOYSA-N	-1	0	271.360	3.647	50	10		CHCARM
CC1=CC(=NNc2ccccc2)C=C(C(=O)[O-])C1=O	ZINC000070461679	567897291	/nfs/dbraw/zinc/89/72/91/567897291.db2.gz	HNTFQHRRMTZFAF-FOCLMDBBSA-N	-1	0	256.261	3.814	50	10		CHCARM
Cc1cccc(NN=C2C=C(C=O)C([O-])=CC2=O)c1	ZINC000006216747	570216526	/nfs/dbraw/zinc/21/65/26/570216526.db2.gz	HTLGUPRWUACGOZ-FOCLMDBBSA-N	-1	0	256.261	3.634	50	10		CHCARM
C[C@H](/N=N/c1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000020533619	171240833	/nfs/dbraw/zinc/24/08/33/171240833.db2.gz	IUNRMGGBAHBDFA-VXFCLOCWSA-N	-1	0	255.277	3.625	50	10		CHCARM
O=C([O-])c1ccc2c3c1C1=CCC[C@@H]1CN3C[C@@H]1CC=C[C@H]21	ZINC000095470844	567909451	/nfs/dbraw/zinc/90/94/51/567909451.db2.gz	TTXQBZXACGKOAT-XQQFMLRXSA-N	-1	0	293.366	3.672	50	10		CHCARM
O=C([O-])[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000000009061	169505841	/nfs/dbraw/zinc/50/58/41/169505841.db2.gz	CBCFDRNSQSSDPC-UBJUHAIHSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])/C=C/C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000004016838	567854643	/nfs/dbraw/zinc/85/46/43/567854643.db2.gz	SUHCFASZEVEUDG-ZSTJXTSSSA-N	-1	0	295.298	3.681	50	10		CHCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccccc1Br	ZINC000020081300	567880926	/nfs/dbraw/zinc/88/09/26/567880926.db2.gz	ICLBMRNCDQWFNK-UHFFFAOYSA-N	-1	0	294.148	3.555	50	10		CHCARM
CN(C)c1ccc(/N=N\c2ccccc2C(=O)[O-])cc1	ZINC000029786370	567884572	/nfs/dbraw/zinc/88/45/72/567884572.db2.gz	CEQFOVLGLXCDCX-MSUUIHNZSA-N	-1	0	269.304	3.866	50	10		CHCARM
CC1=CC([O-])=CC(=O)C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000100742497	567913672	/nfs/dbraw/zinc/91/36/72/567913672.db2.gz	XDOOUKIUNUWEFT-CCEZHUSRSA-N	-1	0	273.248	3.730	50	10		CHCARM
CCCn1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000000470213	567932846	/nfs/dbraw/zinc/93/28/46/567932846.db2.gz	CXJZVQVXKVWEGC-UHFFFAOYSA-N	-1	0	275.323	3.721	50	10		CHCARM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000169304793	188656133	/nfs/dbraw/zinc/65/61/33/188656133.db2.gz	CBCFDRNSQSSDPC-RGNHYFCHSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000020242398	171097203	/nfs/dbraw/zinc/09/72/03/171097203.db2.gz	QUGMMFYCLGONIK-MVKOHCKWSA-N	-1	0	284.142	3.532	50	10		CHCARM
Cc1ccc(C)n1-c1ccc(Br)cc1C(=O)[O-]	ZINC000004635994	567897045	/nfs/dbraw/zinc/89/70/45/567897045.db2.gz	AXVRXYUADTYZQP-UHFFFAOYSA-N	-1	0	294.148	3.555	50	10		CHCARM
Cc1c(N=Nc2ccccc2)c(=O)[n-]n1-c1ccccc1	ZINC000254478074	566923332	/nfs/dbraw/zinc/92/33/32/566923332.db2.gz	JTQLRUKDOAKGDM-UHFFFAOYSA-N	-1	0	278.315	3.889	50	10		CHCARM
CC1=CC([O-])=CC(=O)C1=NNc1ccc([N+](=O)[O-])cc1	ZINC000254598478	567035697	/nfs/dbraw/zinc/03/56/97/567035697.db2.gz	XDOOUKIUNUWEFT-UHFFFAOYSA-N	-1	0	273.248	3.730	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	ZINC000000094564	567818104	/nfs/dbraw/zinc/81/81/04/567818104.db2.gz	MJQOADCEHBWLGT-VBQJREDUSA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C)c1	ZINC000102268741	567915175	/nfs/dbraw/zinc/91/51/75/567915175.db2.gz	HOCOHJOHXLVSRA-RUNIHZNKSA-N	-1	0	292.342	3.870	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	ZINC000001418688	169704001	/nfs/dbraw/zinc/70/40/01/169704001.db2.gz	QTKRLZDSHXZXNP-DCGLDWPTSA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccccc1C	ZINC000020285066	171133536	/nfs/dbraw/zinc/13/35/36/171133536.db2.gz	ZGZNKBDIWAHYFM-CMDGGOBGSA-N	-1	0	255.317	3.500	50	10		CHCARM
C[C@@H](/N=N/c1ccc(C(=O)[O-])cc1)c1ccccn1	ZINC000020533618	171240633	/nfs/dbraw/zinc/24/06/33/171240633.db2.gz	IUNRMGGBAHBDFA-ONJZUOQNSA-N	-1	0	255.277	3.625	50	10		CHCARM
O=[N+]([O-])c1ccc([O-])c(CNc2ccc(F)c(Cl)c2)c1	ZINC000035335422	172131879	/nfs/dbraw/zinc/13/18/79/172131879.db2.gz	RPEIWPXKGUCCPK-UHFFFAOYSA-N	-1	0	296.685	3.705	50	10		CHCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(C(C)C)cc1	ZINC000004389861	567857475	/nfs/dbraw/zinc/85/74/75/567857475.db2.gz	HTEIXUONNICXQI-FOCLMDBBSA-N	-1	0	258.325	3.973	50	10		CHCARM
CSc1ccc(N=Nc2c(C)[n-]n(C)c2=O)cc1	ZINC000013123011	567865000	/nfs/dbraw/zinc/86/50/00/567865000.db2.gz	MIZBXKRZQHRITA-BUHFOSPRSA-N	-1	0	262.338	3.571	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000100292256	567912608	/nfs/dbraw/zinc/91/26/08/567912608.db2.gz	MZPVWOCTNZRDJS-VRTBNJGNSA-N	-1	0	292.342	3.870	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C	ZINC000100499313	567913302	/nfs/dbraw/zinc/91/33/02/567913302.db2.gz	OUJUIWKZTHFKTI-RUNIHZNKSA-N	-1	0	292.342	3.870	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1C	ZINC000100499311	567913335	/nfs/dbraw/zinc/91/33/35/567913335.db2.gz	OUJUIWKZTHFKTI-VRTBNJGNSA-N	-1	0	292.342	3.870	50	10		CHCARM
CCCn1c(CCC(=O)[O-])ccc1-c1ccc(OC)cc1	ZINC000000469910	567932757	/nfs/dbraw/zinc/93/27/57/567932757.db2.gz	KLCKOWUTOXPCEW-UHFFFAOYSA-N	-1	0	287.359	3.591	50	10	biogenic	CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccccn1)N2	ZINC000002578376	230367281	/nfs/dbraw/zinc/36/72/81/230367281.db2.gz	QTKRLZDSHXZXNP-IGCXYCKISA-N	-1	0	292.338	3.606	50	10		CHCARM
CC(C)(C)OC(=O)c1sc(Cl)c(Cl)c1[O-]	ZINC000575409776	566932674	/nfs/dbraw/zinc/93/26/74/566932674.db2.gz	BGHIXNWYNKZBFE-UHFFFAOYSA-N	-1	0	269.149	3.716	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	ZINC000004140584	567855575	/nfs/dbraw/zinc/85/55/75/567855575.db2.gz	MJQOADCEHBWLGT-JJRVBVJISA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1cccnc1)N2	ZINC000111442224	1120261320	/nfs/dbraw/zinc/26/13/20/1120261320.db2.gz	MJQOADCEHBWLGT-CKEIUWERSA-N	-1	0	292.338	3.606	50	10		CHCARM
Nc1c(N=Nc2ccccc2)c(=O)[n-]n1-c1ccccc1	ZINC000004452470	567857706	/nfs/dbraw/zinc/85/77/06/567857706.db2.gz	IZUGNDOCOLLDFN-ISLYRVAYSA-N	-1	0	279.303	3.576	50	10		CHCARM
CC1=NN(c2ccccc2)C(=O)C1=CNc1cccc(F)c1	ZINC000018046526	570282711	/nfs/dbraw/zinc/28/27/11/570282711.db2.gz	YYCPRYDKFCFHSE-WJDWOHSUSA-N	-1	0	295.317	3.544	50	10		CHCARM
O=C([O-])c1ccc2c3c1C1=CCC[C@@H]1CN3C[C@H]1CC=C[C@@H]21	ZINC000095470841	136517335	/nfs/dbraw/zinc/51/73/35/136517335.db2.gz	TTXQBZXACGKOAT-JHJVBQTASA-N	-1	0	293.366	3.672	50	10		CHCARM
CCc1ccccc1-n1c(C)cc(/C=C/C(=O)[O-])c1C	ZINC000020284851	171133528	/nfs/dbraw/zinc/13/35/28/171133528.db2.gz	UCNUTSLUCZNYJS-MDZDMXLPSA-N	-1	0	269.344	3.754	50	10		CHCARM
COC(=O)c1sc2c(cnc3cc(Cl)ccc23)c1[O-]	ZINC000045928437	175387039	/nfs/dbraw/zinc/38/70/39/175387039.db2.gz	JFLGAHSEGSVAAP-UHFFFAOYSA-N	-1	0	293.731	3.595	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000004957339	567859218	/nfs/dbraw/zinc/85/92/18/567859218.db2.gz	CBSRXMMJHDMLKI-JOAULVNJSA-N	-1	0	284.142	3.532	50	10		CHCARM
CCC[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@@H]21	ZINC000003880288	570328742	/nfs/dbraw/zinc/32/87/42/570328742.db2.gz	XFIGYHUNCNSWNJ-OBJOEFQTSA-N	-1	0	257.333	3.639	50	10		CHCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(C(C)C)c1	ZINC000021952232	171340014	/nfs/dbraw/zinc/34/00/14/171340014.db2.gz	TVQFJCJJCMXIQL-UHFFFAOYSA-N	-1	0	257.333	3.916	50	10		CHCARM
O=C([O-])c1ccc2c3c1C1=CCC[C@@H]1CN3C[C@H]1CC=C[C@H]21	ZINC000095470842	567909294	/nfs/dbraw/zinc/90/92/94/567909294.db2.gz	TTXQBZXACGKOAT-UPJWGTAASA-N	-1	0	293.366	3.672	50	10		CHCARM
Cc1ccc(-c2nc3ccccc3nc2CC(=O)[O-])cc1	ZINC000104861788	1118974767	/nfs/dbraw/zinc/97/47/67/1118974767.db2.gz	BBQJQBIZSDPQJZ-GDNBJRDFSA-N	-1	0	278.311	3.510	50	10		CHCARM
CN(C)c1ccc(/N=N/c2ccccc2C(=O)[O-])cc1	ZINC000003877658	567854329	/nfs/dbraw/zinc/85/43/29/567854329.db2.gz	CEQFOVLGLXCDCX-WUKNDPDISA-N	-1	0	269.304	3.866	50	10	in-vivo	CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	ZINC000004140587	567855459	/nfs/dbraw/zinc/85/54/59/567855459.db2.gz	MJQOADCEHBWLGT-ZQIUZPCESA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1oc(C(=O)[O-])cc1COc1ccccc1Cl	ZINC000004278533	567856544	/nfs/dbraw/zinc/85/65/44/567856544.db2.gz	RJQKXNXJUSWHDZ-UHFFFAOYSA-N	-1	0	266.680	3.519	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccncc1)N2	ZINC000033416497	567886622	/nfs/dbraw/zinc/88/66/22/567886622.db2.gz	KRECIDINTYZSHC-VBQJREDUSA-N	-1	0	292.338	3.606	50	10		CHCARM
CC(C)n1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000000559558	567943232	/nfs/dbraw/zinc/94/32/32/567943232.db2.gz	KITTVCDCJIUGLX-UHFFFAOYSA-N	-1	0	263.362	3.815	50	10		CHCARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1cccc(C)c1	ZINC000020284389	171133508	/nfs/dbraw/zinc/13/35/08/171133508.db2.gz	HHKIUEUIVWSTKP-BQYQJAHWSA-N	-1	0	255.317	3.500	50	10		CHCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(C(C)C)cc1	ZINC000012505643	567863500	/nfs/dbraw/zinc/86/35/00/567863500.db2.gz	KBDRSEIACOQQCX-UHFFFAOYSA-N	-1	0	257.333	3.916	50	10		CHCARM
CCCn1c(CCC(=O)[O-])ccc1-c1ccc(C)cc1	ZINC000000559553	567943345	/nfs/dbraw/zinc/94/33/45/567943345.db2.gz	MAMCXKRPDNGJBR-UHFFFAOYSA-N	-1	0	271.360	3.891	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	ZINC000002578377	230367301	/nfs/dbraw/zinc/36/73/01/230367301.db2.gz	MJQOADCEHBWLGT-JKIFEVAISA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1cc2c(n1-c1ccc(C(=O)[O-])cc1)CCCCC2	ZINC000006751329	170240206	/nfs/dbraw/zinc/24/02/06/170240206.db2.gz	GHFQGKGCAPQKPZ-UHFFFAOYSA-N	-1	0	269.344	3.753	50	10		CHCARM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000003964220	567854638	/nfs/dbraw/zinc/85/46/38/567854638.db2.gz	CBCFDRNSQSSDPC-YVZVNANGSA-N	-1	0	284.142	3.532	50	10		CHCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1ccccn1	ZINC000018117090	567876466	/nfs/dbraw/zinc/87/64/66/567876466.db2.gz	OVNBKDROKHKFFR-UHFFFAOYSA-N	-1	0	269.131	3.706	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	ZINC000004140583	567855434	/nfs/dbraw/zinc/85/54/34/567855434.db2.gz	QTKRLZDSHXZXNP-GDZNZVCISA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c3c1C1=CCC[C@@H]1CN3C[C@@H]1CC=C[C@@H]21	ZINC000095470843	567909559	/nfs/dbraw/zinc/90/95/59/567909559.db2.gz	TTXQBZXACGKOAT-YNEHKIRRSA-N	-1	0	293.366	3.672	50	10		CHCARM
Cc1cc(/C=C\C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000006432135	1127598746	/nfs/dbraw/zinc/59/87/46/1127598746.db2.gz	HVOSWNCTGOTMRC-TWGQIWQCSA-N	-1	0	255.317	3.500	50	10		CHCARM
COc1ccc(-c2ccc(CCC(=O)[O-])n2C(C)C)cc1	ZINC000000471101	533180829	/nfs/dbraw/zinc/18/08/29/533180829.db2.gz	ZPKCREQAQPUNIO-UHFFFAOYSA-N	-1	0	287.359	3.762	50	10		CHCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(Br)cc1	ZINC000100381734	567913076	/nfs/dbraw/zinc/91/30/76/567913076.db2.gz	QQXTWFOBHFUQOG-BUHFOSPRSA-N	-1	0	295.140	3.612	50	10		CHCARM
O=C([O-])[C@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@H]21	ZINC000000257980	567823248	/nfs/dbraw/zinc/82/32/48/567823248.db2.gz	CBSRXMMJHDMLKI-SXMVTHIZSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000002989290	567850960	/nfs/dbraw/zinc/85/09/60/567850960.db2.gz	CBCFDRNSQSSDPC-JOAULVNJSA-N	-1	0	284.142	3.532	50	10		CHCARM
Cc1ccc(-c2ccccc2)n1-c1ccc(O)c(C(=O)[O-])c1	ZINC000000198051	567925116	/nfs/dbraw/zinc/92/51/16/567925116.db2.gz	CZAUFQDDVMDJBM-UHFFFAOYSA-N	-1	0	293.322	3.857	50	10		CHCARM
O=C1NC(=S)SC1=CC(Cl)=Cc1ccccc1	ZINC000002536898	1117777759	/nfs/dbraw/zinc/77/77/59/1117777759.db2.gz	DUACNJOZFSRLIT-PCCLLEMOSA-N	-1	0	281.789	3.709	50	10		CHCARM
Oc1ccc(Cl)cc1C1=NN[C@H](c2ccc(F)cc2)C1	ZINC000000462468	1119626527	/nfs/dbraw/zinc/62/65/27/1119626527.db2.gz	LQSSGTMKIGLQNN-ZDUSSCGKSA-N	-1	0	290.725	3.623	50	10		CHCARM
CCCn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000559575	169668334	/nfs/dbraw/zinc/66/83/34/169668334.db2.gz	HIMYEWHKTGBNCH-UHFFFAOYSA-N	-1	0	257.333	3.582	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@@H]21	ZINC000002932231	169844940	/nfs/dbraw/zinc/84/49/40/169844940.db2.gz	CBSRXMMJHDMLKI-RGNHYFCHSA-N	-1	0	284.142	3.532	50	10		CHCARM
CCc1cccc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)c1	ZINC000020285307	171133563	/nfs/dbraw/zinc/13/35/63/171133563.db2.gz	NIJPPLZRTIYNSS-CMDGGOBGSA-N	-1	0	269.344	3.754	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1cccnc1)N2	ZINC000100831640	570233803	/nfs/dbraw/zinc/23/38/03/570233803.db2.gz	MJQOADCEHBWLGT-CPUCHLNUSA-N	-1	0	292.338	3.606	50	10		CHCARM
CCCn1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000000559560	169668363	/nfs/dbraw/zinc/66/83/63/169668363.db2.gz	NAKMGQAMBKUJMC-UHFFFAOYSA-N	-1	0	263.362	3.644	50	10		CHCARM
O=C([O-])CCc1ccc(-c2ccccc2)n1Cc1ccco1	ZINC000000559572	169668188	/nfs/dbraw/zinc/66/81/88/169668188.db2.gz	NRHNQLUJFCODBK-UHFFFAOYSA-N	-1	0	295.338	3.814	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cccnc1)N2	ZINC000001418689	567837310	/nfs/dbraw/zinc/83/73/10/567837310.db2.gz	MJQOADCEHBWLGT-GRDNDAEWSA-N	-1	0	292.338	3.606	50	10		CHCARM
CCC[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@H]21	ZINC000013554737	567866205	/nfs/dbraw/zinc/86/62/05/567866205.db2.gz	XFIGYHUNCNSWNJ-BZPMIXESSA-N	-1	0	257.333	3.639	50	10		CHCARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc2c(c1)CCC2	ZINC000020284347	171133438	/nfs/dbraw/zinc/13/34/38/171133438.db2.gz	AOIZOMFCLNEJPH-VQHVLOKHSA-N	-1	0	281.355	3.681	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@@H]21	ZINC000035534072	172243788	/nfs/dbraw/zinc/24/37/88/172243788.db2.gz	QUGMMFYCLGONIK-OKTBNZSVSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C(Nc1ccccc1)c1sc2ccccc2c1[O-]	ZINC000034056989	566913730	/nfs/dbraw/zinc/91/37/30/566913730.db2.gz	CQDUYHRGSWDBSX-UHFFFAOYSA-N	-1	0	269.325	3.859	50	10		CHCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(C(F)(F)F)cc1	ZINC000004323468	567856873	/nfs/dbraw/zinc/85/68/73/567856873.db2.gz	WMKRFVQHSHAAMC-WUKNDPDISA-N	-1	0	284.241	3.868	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C)cc1	ZINC000100292258	567912613	/nfs/dbraw/zinc/91/26/13/567912613.db2.gz	MZPVWOCTNZRDJS-RUNIHZNKSA-N	-1	0	292.342	3.870	50	10		CHCARM
CC(C)n1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000559574	567943270	/nfs/dbraw/zinc/94/32/70/567943270.db2.gz	QBGUTQMFRWEQOX-UHFFFAOYSA-N	-1	0	257.333	3.753	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1	ZINC000100048818	570257534	/nfs/dbraw/zinc/25/75/34/570257534.db2.gz	XCKGFJPFEHHHQA-HEWTWTGNSA-N	-1	0	278.315	3.562	50	10		CHCARM
Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccccn1	ZINC000100098840	1117918795	/nfs/dbraw/zinc/91/87/95/1117918795.db2.gz	ZZVOWIIIFAYFOJ-SDNWHVSQSA-N	-1	0	294.383	3.601	50	10		CHCARM
Cc1cc(/C=C/C(=O)[O-])c(C)n1-c1ccc(C)cc1	ZINC000000037797	567816627	/nfs/dbraw/zinc/81/66/27/567816627.db2.gz	HVOSWNCTGOTMRC-RMKNXTFCSA-N	-1	0	255.317	3.500	50	10		CHCARM
Cc1cc([C@H](C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000003630615	1129716949	/nfs/dbraw/zinc/71/69/49/1129716949.db2.gz	PFCHOUQUXDZKQF-JTQLQIEISA-N	-1	0	277.751	3.936	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@@H]21	ZINC000035534070	172243431	/nfs/dbraw/zinc/24/34/31/172243431.db2.gz	QUGMMFYCLGONIK-PTZCXBDSSA-N	-1	0	284.142	3.532	50	10		CHCARM
CC(=O)c1c(C)[nH]c(N=Nc2cccc(C(=O)[O-])c2)c1C	ZINC000004218224	567855929	/nfs/dbraw/zinc/85/59/29/567855929.db2.gz	ZOSPVPUJOQGNSM-ISLYRVAYSA-N	-1	0	285.303	3.948	50	10		CHCARM
Cc1cc(C(=O)c2sc3ccccc3c2[O-])c(C)n1C	ZINC000012800328	567864284	/nfs/dbraw/zinc/86/42/84/567864284.db2.gz	QZVUCSBHROSZKO-UHFFFAOYSA-N	-1	0	285.368	3.793	50	10		CHCARM
Oc1ccc(Cl)cc1C1=NN[C@@H](c2ccc(F)cc2)C1	ZINC000000462466	1119626445	/nfs/dbraw/zinc/62/64/45/1119626445.db2.gz	LQSSGTMKIGLQNN-CYBMUJFWSA-N	-1	0	290.725	3.623	50	10		CHCARM
Cc1c(C(=O)[O-])cc(C(C)(C)C)n1-c1ccccc1	ZINC000000113685	169540284	/nfs/dbraw/zinc/54/02/84/169540284.db2.gz	NHLBUGVWPXSFTL-UHFFFAOYSA-N	-1	0	257.333	3.781	50	10		CHCARM
CC(C)Cn1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000000559562	169668219	/nfs/dbraw/zinc/66/82/19/169668219.db2.gz	YUPIFBLNJMLZIE-UHFFFAOYSA-N	-1	0	289.350	3.967	50	10		CHCARM
Cc1cc(C(=O)[O-])c(C)n1-c1ccc(Br)cc1	ZINC000000608670	169673765	/nfs/dbraw/zinc/67/37/65/169673765.db2.gz	OYGDDDSULIWSGE-UHFFFAOYSA-N	-1	0	294.148	3.555	50	10		CHCARM
CC(C)c1nc2sc(C(=O)[O-])c(N)c2c2c1CCCC2	ZINC000020057872	170981765	/nfs/dbraw/zinc/98/17/65/170981765.db2.gz	YYWLZVGCZKBORB-UHFFFAOYSA-N	-1	0	290.388	3.579	50	10		CHCARM
O=C([O-])/C=C\C(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000013941791	170610656	/nfs/dbraw/zinc/61/06/56/170610656.db2.gz	SUHCFASZEVEUDG-SCRWOOCSSA-N	-1	0	295.298	3.681	50	10		CHCARM
COc1ccc(Nc2cccc(Cl)c2)c(C(=O)[O-])c1	ZINC000000099642	567818143	/nfs/dbraw/zinc/81/81/43/567818143.db2.gz	XIOQXUPGFMFNOF-UHFFFAOYSA-N	-1	0	277.707	3.790	50	10		CHCARM
COc1ccc(Nc2ccccc2Cl)c(C(=O)[O-])c1	ZINC000004099443	567854903	/nfs/dbraw/zinc/85/49/03/567854903.db2.gz	AREZHPKMIIHYHM-UHFFFAOYSA-N	-1	0	277.707	3.790	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1C=Nc1ccccc1F	ZINC000012377730	567863099	/nfs/dbraw/zinc/86/30/99/567863099.db2.gz	LRXQTUCPXZOKEY-KAMYIIQDSA-N	-1	0	295.317	3.544	50	10		CHCARM
CCOc1ccc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)cc1	ZINC000021951368	567881148	/nfs/dbraw/zinc/88/11/48/567881148.db2.gz	UBOUEOBCYLTGJM-BJMVGYQFSA-N	-1	0	285.343	3.591	50	10		CHCARM
Cc1nc2ccccc2nc1-c1sc2ncccc2c1[O-]	ZINC000024927010	570228296	/nfs/dbraw/zinc/22/82/96/570228296.db2.gz	WMYHGSRSXBCHPU-UHFFFAOYSA-N	-1	0	293.351	3.921	50	10		CHCARM
CC(C)Cn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000000470676	169649280	/nfs/dbraw/zinc/64/92/80/169649280.db2.gz	YHGZLFLHFKENMO-UHFFFAOYSA-N	-1	0	271.360	3.828	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@@H](c1ccncc1)N2	ZINC000004639599	169992174	/nfs/dbraw/zinc/99/21/74/169992174.db2.gz	KRECIDINTYZSHC-JKIFEVAISA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	ZINC000004140580	567855258	/nfs/dbraw/zinc/85/52/58/567855258.db2.gz	QTKRLZDSHXZXNP-AHIWAGSCSA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccncc1)N2	ZINC000033930918	567886924	/nfs/dbraw/zinc/88/69/24/567886924.db2.gz	KRECIDINTYZSHC-CPUCHLNUSA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1cccc(C)c1	ZINC000102268734	567915250	/nfs/dbraw/zinc/91/52/50/567915250.db2.gz	HOCOHJOHXLVSRA-VRTBNJGNSA-N	-1	0	292.342	3.870	50	10		CHCARM
Cc1[n-]n(-c2ccccc2)c(=O)c1N=Nc1ccccc1	ZINC000100048811	570257541	/nfs/dbraw/zinc/25/75/41/570257541.db2.gz	XCKGFJPFEHHHQA-ZDBRSUKYSA-N	-1	0	278.315	3.562	50	10		CHCARM
CCC[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@H]2C=CC[C@H]21	ZINC000003880286	169919213	/nfs/dbraw/zinc/91/92/13/169919213.db2.gz	XFIGYHUNCNSWNJ-SCRDCRAPSA-N	-1	0	257.333	3.639	50	10		CHCARM
O=C([O-])[C@H]1Nc2cc(Cl)cc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000004234939	169946626	/nfs/dbraw/zinc/94/66/26/169946626.db2.gz	CBCFDRNSQSSDPC-SXMVTHIZSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])CCC(=O)Nc1ccc(/N=N/c2ccccc2)cc1	ZINC000004764020	170013427	/nfs/dbraw/zinc/01/34/27/170013427.db2.gz	ZTLZLRBHKYPFDR-VHEBQXMUSA-N	-1	0	297.314	3.905	50	10		CHCARM
CC(C)Cn1c(CCC(=O)[O-])ccc1-c1cccs1	ZINC000000470872	169649487	/nfs/dbraw/zinc/64/94/87/169649487.db2.gz	NDSWUSHBIQORRV-UHFFFAOYSA-N	-1	0	277.389	3.890	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)ccc(Cl)c2[C@@H]2C=CC[C@H]21	ZINC000020242394	171097145	/nfs/dbraw/zinc/09/71/45/171097145.db2.gz	QUGMMFYCLGONIK-OPVBNTEQSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccnc1)N2	ZINC000004172184	567855821	/nfs/dbraw/zinc/85/58/21/567855821.db2.gz	MJQOADCEHBWLGT-KEYYUXOJSA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c(c1)Oc1cccc3c1N2CCC3	ZINC000012375239	134683151	/nfs/dbraw/zinc/68/31/51/134683151.db2.gz	XYWYPKVJMDNAKK-UHFFFAOYSA-N	-1	0	267.284	3.575	50	10		CHCARM
Cc1cc2c(n1-c1cccc(C(=O)[O-])c1)CC(C)(C)CC2=O	ZINC000002561611	169809661	/nfs/dbraw/zinc/80/96/61/169809661.db2.gz	DAJUCDQEACPUIJ-UHFFFAOYSA-N	-1	0	297.354	3.639	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@@H]2C=CC[C@H]21	ZINC000004957338	567859196	/nfs/dbraw/zinc/85/91/96/567859196.db2.gz	CBSRXMMJHDMLKI-DNSOKLHBSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccccn1)N2	ZINC000000972005	567835262	/nfs/dbraw/zinc/83/52/62/567835262.db2.gz	QTKRLZDSHXZXNP-IIYDPXPESA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1cc2c(n1-c1ccc(C(=O)[O-])cc1)CC(C)(C)CC2=O	ZINC000002561613	567848227	/nfs/dbraw/zinc/84/82/27/567848227.db2.gz	VEPFRAPHOJTGLO-UHFFFAOYSA-N	-1	0	297.354	3.639	50	10		CHCARM
O=C([O-])[C@H]1Nc2c(Cl)ccc(Cl)c2[C@H]2C=CC[C@H]21	ZINC000004234933	567856295	/nfs/dbraw/zinc/85/62/95/567856295.db2.gz	QUGMMFYCLGONIK-CVJICSNFSA-N	-1	0	284.142	3.532	50	10		CHCARM
CSc1cccc(-n2c(C)cc(C(=O)[O-])c2C)c1	ZINC000019803692	567879219	/nfs/dbraw/zinc/87/92/19/567879219.db2.gz	YNUWKIISQKFCKO-UHFFFAOYSA-N	-1	0	261.346	3.514	50	10		CHCARM
Cc1cc(C(=O)[O-])c(C)n1-c1cccc(Br)c1	ZINC000020081296	567880869	/nfs/dbraw/zinc/88/08/69/567880869.db2.gz	KBSOGHQWGIRFKU-UHFFFAOYSA-N	-1	0	294.148	3.555	50	10		CHCARM
COc1cccc(N=Nc2c(=O)[nH][n-]c2-c2ccccc2)c1	ZINC000103795282	567943244	/nfs/dbraw/zinc/94/32/44/567943244.db2.gz	LQRGKLDKPBGOAX-HTXNQAPBSA-N	-1	0	294.314	3.794	50	10		CHCARM
[O-]c1c(Cl)cc(Cl)cc1CNc1nccs1	ZINC000000553729	570287723	/nfs/dbraw/zinc/28/77/23/570287723.db2.gz	LYSNWLOLBOCKMM-UHFFFAOYSA-N	-1	0	275.160	3.768	50	10		CHCARM
CSc1ccc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)cc1	ZINC000020285267	171133693	/nfs/dbraw/zinc/13/36/93/171133693.db2.gz	JRPUJNBIUGAJRV-RUDMXATFSA-N	-1	0	287.384	3.914	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	ZINC000000094559	567818068	/nfs/dbraw/zinc/81/80/68/567818068.db2.gz	QTKRLZDSHXZXNP-OGHNNQOOSA-N	-1	0	292.338	3.606	50	10		CHCARM
CCCCn1c(CCC(=O)[O-])ccc1-c1ccccc1	ZINC000003634678	169904953	/nfs/dbraw/zinc/90/49/53/169904953.db2.gz	XEKJFLXFMXVBGK-UHFFFAOYSA-N	-1	0	271.360	3.972	50	10		CHCARM
O=c1c2ccc([O-])c(O)c2occ1-c1ccccc1Cl	ZINC000006557553	170213276	/nfs/dbraw/zinc/21/32/76/170213276.db2.gz	XWSCEFSZYFYXIC-UHFFFAOYSA-N	-1	0	288.686	3.525	50	10		CHCARM
O=C([O-])[C@@H]1Nc2cc(Cl)cc(Cl)c2[C@@H]2C=CC[C@H]21	ZINC000013918912	567944172	/nfs/dbraw/zinc/94/41/72/567944172.db2.gz	CBCFDRNSQSSDPC-DNSOKLHBSA-N	-1	0	284.142	3.532	50	10		CHCARM
Nc1c(N=Nc2ccccc2)c(=O)[n-]n1-c1ccccc1	ZINC000252613244	570376201	/nfs/dbraw/zinc/37/62/01/570376201.db2.gz	IZUGNDOCOLLDFN-UHFFFAOYSA-N	-1	0	279.303	3.576	50	10		CHCARM
CCc1ccc(-n2c(C)cc(/C=C/C(=O)[O-])c2C)cc1	ZINC000020284555	171133532	/nfs/dbraw/zinc/13/35/32/171133532.db2.gz	NJWWGAOVMFUPRE-JXMROGBWSA-N	-1	0	269.344	3.754	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	ZINC000033416498	171791299	/nfs/dbraw/zinc/79/12/99/171791299.db2.gz	KRECIDINTYZSHC-ZQIUZPCESA-N	-1	0	292.338	3.606	50	10		CHCARM
Cc1[n-]n(C)c(=O)c1N=Nc1ccc(Cl)cc1	ZINC000004323469	567857098	/nfs/dbraw/zinc/85/70/98/567857098.db2.gz	GFKJLEZNPCADRG-BUHFOSPRSA-N	-1	0	250.689	3.503	50	10		CHCARM
CC(C)n1c(CCC(=O)[O-])ccc1-c1ccc(F)cc1	ZINC000000559555	567943299	/nfs/dbraw/zinc/94/32/99/567943299.db2.gz	SXLZYXLKLIYHMA-UHFFFAOYSA-N	-1	0	275.323	3.892	50	10		CHCARM
Cc1cc([C@@H](C)C(=O)[O-])c(C)n1-c1ccc(Cl)cc1	ZINC000003630613	1129717101	/nfs/dbraw/zinc/71/71/01/1129717101.db2.gz	PFCHOUQUXDZKQF-SNVBAGLBSA-N	-1	0	277.751	3.936	50	10		CHCARM
CN(C)c1ccc(/N=N/c2ccc(C(=O)[O-])cc2)cc1	ZINC000003900127	169922794	/nfs/dbraw/zinc/92/27/94/169922794.db2.gz	WCKQPPQRFNHPRJ-WUKNDPDISA-N	-1	0	269.304	3.866	50	10		CHCARM
O=C([O-])[C@@H]1Nc2c(Cl)cc(Cl)cc2[C@H]2C=CC[C@@H]21	ZINC000004957337	567859213	/nfs/dbraw/zinc/85/92/13/567859213.db2.gz	CBSRXMMJHDMLKI-YVZVNANGSA-N	-1	0	284.142	3.532	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccncc1)N2	ZINC000033431772	567886579	/nfs/dbraw/zinc/88/65/79/567886579.db2.gz	KRECIDINTYZSHC-KEYYUXOJSA-N	-1	0	292.338	3.606	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccn1)N2	ZINC000100831438	570233676	/nfs/dbraw/zinc/23/36/76/570233676.db2.gz	QTKRLZDSHXZXNP-PBFPGSCMSA-N	-1	0	292.338	3.606	50	10		CHCARM
CCC[C@@H]1Nc2ccc(C(=O)[O-])cc2[C@@H]2C=CC[C@@H]21	ZINC000000084377	570254510	/nfs/dbraw/zinc/25/45/10/570254510.db2.gz	XFIGYHUNCNSWNJ-DYEKYZERSA-N	-1	0	257.333	3.639	50	10		CHCARM
O=C([O-])c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@@H](c1ccccn1)N2	ZINC000111442265	1120261459	/nfs/dbraw/zinc/26/14/59/1120261459.db2.gz	QTKRLZDSHXZXNP-XNJGSVPQSA-N	-1	0	292.338	3.606	50	10		CHCARM
CC(C)(C)OC(=O)NCc1cc(Cl)cc(Cl)c1[O-]	ZINC000095616346	185016296	/nfs/dbraw/zinc/01/62/96/185016296.db2.gz	YQARRNHMSFYCOQ-UHFFFAOYSA-N	-1	0	292.162	3.724	50	10		CHCARM