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(Oc1ccccc1)c1cc2c(o1)C(=O)c1ccccc1C2=O	ZINC000095553786	185379271	/nfs/dbraw/zinc/37/92/71/185379271.db2.gz	NOHAVAIZMKIEHE-UHFFFAOYSA-N	0	0	318.284	3.274	1	10		DGCFRN
CN1c2ccc(O)cc2CN2CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000169341029	197743824	/nfs/dbraw/zinc/74/38/24/197743824.db2.gz	JLCQVELPUQUIRU-IBGZPJMESA-N	0	0	305.381	3.380	1	10		DGCFRN
Nc1ccc(N2Cc3cc(OCCCF)ccc3C2=O)cc1	ZINC000040414351	183063734	/nfs/dbraw/zinc/06/37/34/183063734.db2.gz	IWIYAKDBAYMGNA-UHFFFAOYSA-N	0	0	300.333	3.168	1	10		DGCFRN
O=C(c1n[nH]c2ccccc21)c1ccccc1NCc1cn[nH]c1	ZINC000040877122	183145702	/nfs/dbraw/zinc/14/57/02/183145702.db2.gz	QAXJYGDTHTZIQS-UHFFFAOYSA-N	0	0	317.352	3.129	1	10		DGCFRN
CN(C)c1ccc(CNC(=O)N[C@H]2C[C@@H]2c2ccccc2)cc1	ZINC000066099132	655932275	/nfs/dbraw/zinc/93/22/75/655932275.db2.gz	TZFDVQWMLQOJIG-MSOLQXFVSA-N	0	0	309.413	3.108	1	10		DGCFRN
Cc1cc(C)n2nc(N)c(/N=N\c3ccc4c(c3)OCO4)c2n1	ZINC000095545640	301260081	/nfs/dbraw/zinc/26/00/81/301260081.db2.gz	IQBWWAVTIRXBLZ-HNENSFHCSA-N	0	0	310.317	3.072	1	10		DGCFRN
CC(C)(O)CCc1c(O)cc(CCc2ccccc2)c(O)c1O	ZINC000014649941	560223836	/nfs/dbraw/zinc/22/38/36/560223836.db2.gz	QYSKOSVORTYOIS-UHFFFAOYSA-N	0	0	316.397	3.292	1	10	biogenic,in-vitro	DGCFRN
CN1c2ccc(O)cc2C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000095557699	185379773	/nfs/dbraw/zinc/37/97/73/185379773.db2.gz	HJMRPVURQRIKJZ-SFHVURJKSA-N	0	0	319.364	3.020	1	10		DGCFRN
O=C(c1ccco1)[C@H]1CC(c2ccc3ccccc3c2O)=NN1	ZINC000006584084	181356872	/nfs/dbraw/zinc/35/68/72/181356872.db2.gz	IDVNROMRLWPYQD-OAHLLOKOSA-N	0	0	306.321	3.087	1	10		DGCFRN
O=C(Nc1nc2ccc(F)cc2s1)c1cccc(O)c1O	ZINC000040567305	183104074	/nfs/dbraw/zinc/10/40/74/183104074.db2.gz	ORXCLOOWFFZJEV-UHFFFAOYSA-N	0	0	304.302	3.099	1	10		DGCFRN
O=C1/C(=C/c2ccccc2)SC(=S)N1Cc1ccncc1	ZINC000169327314	197741825	/nfs/dbraw/zinc/74/18/25/197741825.db2.gz	SDSQGVNATXGSFT-UVTDQMKNSA-N	0	0	312.419	3.483	1	10		DGCFRN
Cc1cccc(N2C(=O)CS[C@H]2c2ccc(N(C)C)cc2)n1	ZINC000040421811	183064098	/nfs/dbraw/zinc/06/40/98/183064098.db2.gz	ICPKWHMLZNJYKV-KRWDZBQOSA-N	0	0	313.426	3.235	1	10		DGCFRN
CN1c2cccc(O)c2C(=O)N2CCc3c4ccccc4[nH]c3[C@H]12	ZINC000095556166	185379678	/nfs/dbraw/zinc/37/96/78/185379678.db2.gz	BKYCMCVWWVNOOP-GOSISDBHSA-N	0	0	319.364	3.020	1	10		DGCFRN
CCCc1c(C)sc2[nH]c(-c3ccc(O)c(O)c3)nc(=O)c12	ZINC000096907903	185390779	/nfs/dbraw/zinc/39/07/79/185390779.db2.gz	LKYBQIJQXYYTCW-UHFFFAOYSA-N	0	0	316.382	3.324	1	10		DGCFRN
CN(C(=O)C1c2nc3ccccc3n2CCC1=O)c1ccccc1	ZINC000013740044	181887371	/nfs/dbraw/zinc/88/73/71/181887371.db2.gz	GMNYRJLVSPAHLT-UHFFFAOYSA-N	0	0	319.364	3.372	1	10		DGCFRN
O=C1c2c(ccc(O)c2O)CN1Cc1cc(Cl)ccc1F	ZINC000042921577	183318223	/nfs/dbraw/zinc/31/82/23/183318223.db2.gz	BWRRLVWINYUUMB-UHFFFAOYSA-N	0	0	307.708	3.046	1	10		DGCFRN
CN1c2ccc(F)cc2C(=O)N2CCc3c4ccccc4[nH]c3[C@H]12	ZINC000095552327	185379224	/nfs/dbraw/zinc/37/92/24/185379224.db2.gz	LYMALHYQZYSYMU-GOSISDBHSA-N	0	0	321.355	3.454	1	10		DGCFRN
COc1cccc2c1C(=O)c1ccc3c(c1C2=O)[C@@H](O)C[C@@H](C)C3	ZINC000006066776	181310191	/nfs/dbraw/zinc/31/01/91/181310191.db2.gz	GCPUVEMWOWMALU-HZMBPMFUSA-N	0	0	322.360	3.086	1	10	in-vitro	DGCFRN
CC(=O)N1N=C(c2c(O)cccc2O)C[C@H]1c1cccc(C)c1	ZINC000034161929	182730900	/nfs/dbraw/zinc/73/09/00/182730900.db2.gz	QEVNXDJBQMCVRY-HNNXBMFYSA-N	0	0	310.353	3.104	1	10		DGCFRN
Oc1cc(Cl)c(Cc2cc(O)c(O)cc2Cl)cc1O	ZINC000040412066	183063014	/nfs/dbraw/zinc/06/30/14/183063014.db2.gz	SYLFZJGTHUYYMF-UHFFFAOYSA-N	0	0	301.125	3.407	1	10		DGCFRN
Cc1cc(O)c2c(ccc3c2C(=O)c2c(O)ccc(O)c2C3=O)c1	ZINC000066099216	184389118	/nfs/dbraw/zinc/38/91/18/184389118.db2.gz	MIQMSWIIJSSWOT-UHFFFAOYSA-N	0	0	320.300	3.040	1	10		DGCFRN
COc1cc2c(cc1OC)O[C@H](c1ccc(O)c(O)c1)CC2	ZINC000096921296	185391854	/nfs/dbraw/zinc/39/18/54/185391854.db2.gz	JZJXKCZMGGESMI-AWEZNQCLSA-N	0	0	302.326	3.181	1	10		DGCFRN
O=C1c2c(ccc(O)c2O)CN1Cc1c(F)cccc1Cl	ZINC000043071684	183334625	/nfs/dbraw/zinc/33/46/25/183334625.db2.gz	CNJWJLBMRHENBL-UHFFFAOYSA-N	0	0	307.708	3.046	1	10		DGCFRN
Oc1ccc(CCc2cccc(Br)c2)c(O)c1O	ZINC000064447268	184297198	/nfs/dbraw/zinc/29/71/98/184297198.db2.gz	JPMAIQTYHBSOOU-UHFFFAOYSA-N	0	0	309.159	3.351	1	10		DGCFRN
O=C(OCc1ccco1)c1cc2c(o1)C(=O)c1ccccc1C2=O	ZINC000095552676	185379026	/nfs/dbraw/zinc/37/90/26/185379026.db2.gz	HERGGBQMTRQUGC-UHFFFAOYSA-N	0	0	322.272	3.005	1	10		DGCFRN
O=C(c1cc2c(o1)C(=O)c1ccccc1C2=O)c1cccs1	ZINC000095555838	185379569	/nfs/dbraw/zinc/37/95/69/185379569.db2.gz	OENOPNWVHFILBF-UHFFFAOYSA-N	0	0	308.314	3.348	1	10		DGCFRN
O=C1c2ccccc2-c2nnc(-c3ccc([N+](=O)[O-])cc3)cc21	ZINC000001638974	180882259	/nfs/dbraw/zinc/88/22/59/180882259.db2.gz	GCMBFNZCNIURJG-UHFFFAOYSA-N	0	0	303.277	3.263	1	10		DGCFRN
COc1ccc(C2=C/C(=C/c3cccnc3)C(=O)O2)cc1OC	ZINC000005335509	181230961	/nfs/dbraw/zinc/23/09/61/181230961.db2.gz	AVJRIQKEHHLDBR-ZSOIEALJSA-N	0	0	309.321	3.080	3	10		DGCFRN
CNc1nc2ccsc2c(NCc2ccc(N(C)C)cc2)n1	ZINC000061904501	184194236	/nfs/dbraw/zinc/19/42/36/184194236.db2.gz	DEJLVFPPHSLALL-UHFFFAOYSA-N	0	0	313.430	3.411	3	10		DGCFRN
CN1c2ccccc2C(=O)N2CCc3c4cc(F)ccc4[nH]c3[C@H]12	ZINC000095554167	185379470	/nfs/dbraw/zinc/37/94/70/185379470.db2.gz	ULNSFMAZMZHJQY-GOSISDBHSA-N	0	0	321.355	3.454	1	10		DGCFRN
COCCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2	ZINC000095584234	185381572	/nfs/dbraw/zinc/38/15/72/185381572.db2.gz	BKWQKKMXDYBDDC-UHFFFAOYSA-N	0	0	319.360	3.249	1	10		DGCFRN
CC[NH+](CC)CCNc1cccc2c1C(=O)c1ccccc1C2=O	ZINC000005139330	181208385	/nfs/dbraw/zinc/20/83/85/181208385.db2.gz	NMTZJJDJFHSGFN-UHFFFAOYSA-N	0	0	322.408	3.216	1	10		DGCFRN
CCc1ccc2c(c1)C(N=NC1=NC(=O)CS1)C(=O)N2C	ZINC000013122710	181830128	/nfs/dbraw/zinc/83/01/28/181830128.db2.gz	GCHQNHZOQQRFNX-MSUUIHNZSA-N	0	0	302.359	3.159	1	10		DGCFRN
CCCC(=O)c1cc2c(c(O)c1C)C(=O)C(=O)c1c(O)cccc1-2	ZINC000005972857	181302718	/nfs/dbraw/zinc/30/27/18/181302718.db2.gz	YJQYHFMKGAVKDP-UHFFFAOYSA-N	0	0	324.332	3.435	1	10	in-vivo	DGCFRN
Nc1nn(-c2ccccc2)c(N)c1/N=N\c1ccc2c(c1)OCO2	ZINC000015973780	182027033	/nfs/dbraw/zinc/02/70/33/182027033.db2.gz	XMHTUTLCTOYCSL-VXPUYCOJSA-N	0	0	322.328	3.181	1	10		DGCFRN
Cc1cccc(N2C(=O)CS[C@@H]2c2ccc(N(C)C)cc2)n1	ZINC000040421812	183064479	/nfs/dbraw/zinc/06/44/79/183064479.db2.gz	ICPKWHMLZNJYKV-QGZVFWFLSA-N	0	0	313.426	3.235	1	10		DGCFRN
CN1c2ccc(O)cc2C(=O)N2CCc3c4ccccc4[nH]c3[C@H]12	ZINC000095557698	185379644	/nfs/dbraw/zinc/37/96/44/185379644.db2.gz	HJMRPVURQRIKJZ-GOSISDBHSA-N	0	0	319.364	3.020	1	10		DGCFRN
Cc1cc(C(=O)CCC(=O)N(C)C)c(C)n1-c1ccc(F)cc1	ZINC000095614984	185382835	/nfs/dbraw/zinc/38/28/35/185382835.db2.gz	JSMYECUHSRLQOF-UHFFFAOYSA-N	0	0	316.376	3.284	1	10		DGCFRN
Cc1nc2c(n1-c1ccccc1C)C(=O)c1ccccc1C2=O	ZINC000000381325	180772257	/nfs/dbraw/zinc/77/22/57/180772257.db2.gz	ODTYWKNSOSCADS-UHFFFAOYSA-N	0	0	302.333	3.265	1	10		DGCFRN
Cc1nc2c(c3c1C(=O)c1ccccc1C3=O)C(=O)CC(C)(C)C2	ZINC000040847024	183140792	/nfs/dbraw/zinc/14/07/92/183140792.db2.gz	SRRQFNADNKJKSB-UHFFFAOYSA-N	0	0	319.360	3.321	1	10		DGCFRN
O=C1c2ccccc2-c2nc(N3CCOCC3)c3ccccc3c21	ZINC000066078872	134830009	/nfs/dbraw/zinc/83/00/09/134830009.db2.gz	WEDAZCIUULAATJ-UHFFFAOYSA-N	0	0	316.360	3.283	1	10		DGCFRN
CN1c2cccc(F)c2C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000095557424	185379807	/nfs/dbraw/zinc/37/98/07/185379807.db2.gz	RQZMSGJKJACPNW-SFHVURJKSA-N	0	0	321.355	3.454	1	10		DGCFRN
O=C(CC1CC1)N1N=C(c2cccnc2)C[C@H]1c1ccccc1O	ZINC000071295634	190954111	/nfs/dbraw/zinc/95/41/11/190954111.db2.gz	JBBKLEDLQXROBJ-KRWDZBQOSA-N	0	0	321.380	3.265	1	10		DGCFRN
CC(C)[C@H](Nc1c2ccccc2[n+](C)c2ccccc12)C(=O)[O-]	ZINC000005884108	181293168	/nfs/dbraw/zinc/29/31/68/181293168.db2.gz	VAEBVIDMICBYEA-KRWDZBQOSA-O	0	0	309.389	3.339	1	10		DGCFRN
NN1C(=O)/C(=C/c2ccccc2-c2ccccc2)SC1=S	ZINC000040860641	183144339	/nfs/dbraw/zinc/14/43/39/183144339.db2.gz	JQJVMGHZLZXVOS-UVTDQMKNSA-N	0	0	312.419	3.429	1	10		DGCFRN
CC(C)=CC(=O)Oc1ccc2c(c1O)C(=O)c1ccccc1C2=O	ZINC000040835800	183140390	/nfs/dbraw/zinc/14/03/90/183140390.db2.gz	BSETYZSVIZODCQ-UHFFFAOYSA-N	0	0	322.316	3.039	1	10		DGCFRN
O=C(c1ccco1)[C@H]1CC(c2c(O)ccc3ccccc32)=NN1	ZINC000005838528	181288784	/nfs/dbraw/zinc/28/87/84/181288784.db2.gz	CITTZBMKJZEOJE-CQSZACIVSA-N	0	0	306.321	3.087	1	10		DGCFRN
CC(=O)N1N=C(c2ccc(C)cc2)O[C@H]1c1ccc(N(C)C)cc1	ZINC000072178578	191071441	/nfs/dbraw/zinc/07/14/41/191071441.db2.gz	HKJNQGJKJPVYTI-IBGZPJMESA-N	0	0	323.396	3.300	1	10		DGCFRN
CC(C)(O)/C=C/c1c(O)cc(CCc2ccccc2)c(O)c1O	ZINC000014649939	560223890	/nfs/dbraw/zinc/22/38/90/560223890.db2.gz	VDFLDHHNEJWHCI-ZHACJKMWSA-N	0	0	314.381	3.373	1	10	biogenic,in-vitro	DGCFRN
Cc1cc(/C=C2\SC(=N)NC2=O)c(C)n1-c1ccccc1F	ZINC000073139848	191282710	/nfs/dbraw/zinc/28/27/10/191282710.db2.gz	ASCMQQMQULPVAG-ZSOIEALJSA-N	0	0	315.373	3.372	1	10		DGCFRN
O=C(c1ccco1)[C@@H]1CC(c2ccc3ccccc3c2O)=NN1	ZINC000005838557	181288620	/nfs/dbraw/zinc/28/86/20/181288620.db2.gz	IDVNROMRLWPYQD-HNNXBMFYSA-N	0	0	306.321	3.087	1	10		DGCFRN
CN1c2cccc(F)c2C(=O)N2CCc3c4ccccc4[nH]c3[C@H]12	ZINC000095557423	185379788	/nfs/dbraw/zinc/37/97/88/185379788.db2.gz	RQZMSGJKJACPNW-GOSISDBHSA-N	0	0	321.355	3.454	1	10		DGCFRN
Cc1ccccc1[C@@H]1CC(c2ccccc2O)=NN1C(N)=S	ZINC000073169612	191287717	/nfs/dbraw/zinc/28/77/17/191287717.db2.gz	LMRRRJNYNRLKAT-HNNXBMFYSA-N	0	0	311.410	3.095	1	10		DGCFRN
Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CC[C@H](O)C2(C)C	ZINC000014719982	181967963	/nfs/dbraw/zinc/96/79/63/181967963.db2.gz	PTDUBPDLRWKSBQ-ZDUSSCGKSA-N	0	0	310.349	3.219	1	10	biogenic,in-vitro	DGCFRN
CC(C)[C@@H](Nc1c2ccccc2[n+](C)c2ccccc12)C(=O)[O-]	ZINC000017193649	182079169	/nfs/dbraw/zinc/07/91/69/182079169.db2.gz	VAEBVIDMICBYEA-QGZVFWFLSA-O	0	0	309.389	3.339	1	10		DGCFRN
O=C(CC1CC1)N1N=C(c2cccnc2)C[C@@H]1c1ccccc1O	ZINC000071295635	190954563	/nfs/dbraw/zinc/95/45/63/190954563.db2.gz	JBBKLEDLQXROBJ-QGZVFWFLSA-N	0	0	321.380	3.265	1	10		DGCFRN
O=C(c1ccco1)[C@@H]1CC(c2c(O)ccc3ccccc32)=NN1	ZINC000006584069	181357083	/nfs/dbraw/zinc/35/70/83/181357083.db2.gz	CITTZBMKJZEOJE-AWEZNQCLSA-N	0	0	306.321	3.087	1	10		DGCFRN
Cc1cc2cc3c(cc2n1C)CCN3C(=O)Nc1cccnc1	ZINC000013760588	181891673	/nfs/dbraw/zinc/89/16/73/181891673.db2.gz	CQJPEGFBIWGAGS-UHFFFAOYSA-N	0	0	306.369	3.476	1	10		DGCFRN
Oc1ccc(CCc2ccc(Br)cc2)c(O)c1O	ZINC000064454091	184297714	/nfs/dbraw/zinc/29/77/14/184297714.db2.gz	CEIVIFOSSBXXNW-UHFFFAOYSA-N	0	0	309.159	3.351	1	10		DGCFRN
COc1cc(OC)c2c(c1)O[C@H](c1ccc(O)c(O)c1)CC2	ZINC000014728012	560225327	/nfs/dbraw/zinc/22/53/27/560225327.db2.gz	OQHDHVCMAOKOKY-HNNXBMFYSA-N	0	0	302.326	3.181	1	10	biogenic,in-vitro	DGCFRN
Cc1nc2c(n1-c1ccc(C)cc1)C(=O)c1ccccc1C2=O	ZINC000000381324	180772053	/nfs/dbraw/zinc/77/20/53/180772053.db2.gz	BMTYBFYNUDRXSH-UHFFFAOYSA-N	0	0	302.333	3.265	1	10		DGCFRN
Cc1ccc(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1	ZINC000026838114	182454980	/nfs/dbraw/zinc/45/49/80/182454980.db2.gz	QNKLRMPQOSICFR-HZPDHXFCSA-N	0	0	317.360	3.059	1	10		DGCFRN
CN1c2ccc(F)cc2C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000095552328	185379113	/nfs/dbraw/zinc/37/91/13/185379113.db2.gz	LYMALHYQZYSYMU-SFHVURJKSA-N	0	0	321.355	3.454	1	10		DGCFRN
COc1ccc(-c2noc3c2C(=O)c2ccccc2C3=O)cc1	ZINC000084706703	192459086	/nfs/dbraw/zinc/45/90/86/192459086.db2.gz	RHBYDPKBQDTPKY-UHFFFAOYSA-N	0	0	305.289	3.126	1	10		DGCFRN
CN1c2cccc(O)c2C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]12	ZINC000095556167	185379824	/nfs/dbraw/zinc/37/98/24/185379824.db2.gz	BKYCMCVWWVNOOP-SFHVURJKSA-N	0	0	319.364	3.020	1	10		DGCFRN
O=C1c2c(ccc(O)c2O)CN1Cc1ccc(Cl)c(F)c1	ZINC000042966806	183324229	/nfs/dbraw/zinc/32/42/29/183324229.db2.gz	GZIAPJGVWLAODM-UHFFFAOYSA-N	0	0	307.708	3.046	1	10		DGCFRN
CCOC(=O)[C@H]1Nc2ccc(Br)cc2[C@@H]2C=CC[C@@H]21	ZINC000001053927	276295168	/nfs/dbraw/zinc/29/51/68/276295168.db2.gz	HNUOXQDRHLEXMA-SUNKGSAMSA-N	0	0	322.202	3.466	1	10		DGCFRN
CN1c2ccccc2C(=O)N2CCc3c4cc(F)ccc4[nH]c3[C@@H]12	ZINC000095554168	185379201	/nfs/dbraw/zinc/37/92/01/185379201.db2.gz	ULNSFMAZMZHJQY-SFHVURJKSA-N	0	0	321.355	3.454	1	10		DGCFRN
CCCc1c(C)sc2[nH]c(-c3cccc(O)c3O)nc(=O)c12	ZINC000096907909	185390621	/nfs/dbraw/zinc/39/06/21/185390621.db2.gz	FJLAWMZPPORSQB-UHFFFAOYSA-N	0	0	316.382	3.324	1	10		DGCFRN
O=C1c2c(ccc(O)c2O)CN1Cc1cccc(Cl)c1F	ZINC000043016855	183328311	/nfs/dbraw/zinc/32/83/11/183328311.db2.gz	ICSLEKWAWMLPBS-UHFFFAOYSA-N	0	0	307.708	3.046	1	10	in-vitro	DGCFRN
c1coc(-c2ccc(N3CCN(Cc4cccnc4)CC3)cc2)n1	ZINC000095588341	185382165	/nfs/dbraw/zinc/38/21/65/185382165.db2.gz	WLPBPBHGIOOFNC-UHFFFAOYSA-N	0	0	320.396	3.059	1	10		DGCFRN
COc1cc(/C=C\c2ccc(OC)c(O)c2O)cc2c1OCO2	ZINC000005766838	181282496	/nfs/dbraw/zinc/28/24/96/181282496.db2.gz	ANCIATXUDFQEBC-ARJAWSKDSA-N	0	0	316.309	3.014	1	10		DGCFRN
Oc1ccc(Oc2cc(O)c(O)cc2Br)cc1O	ZINC000064539343	184299333	/nfs/dbraw/zinc/29/93/33/184299333.db2.gz	PIMIKPXOETZORZ-UHFFFAOYSA-N	0	0	313.103	3.064	1	10		DGCFRN
Cc1nc(-c2ccccc2)c(-c2ccc3c(c2)NC(=O)CO3)[nH]1	ZINC000082150723	192361508	/nfs/dbraw/zinc/36/15/08/192361508.db2.gz	MESMVBGSIYUYGI-UHFFFAOYSA-N	0	0	305.337	3.383	1	10		DGCFRN
CCCNC(=O)Nc1csc2c1C(=O)c1ccccc1C2=O	ZINC000072105104	191036403	/nfs/dbraw/zinc/03/64/03/191036403.db2.gz	WMBGXYCKFWBZGD-UHFFFAOYSA-N	0	0	314.366	3.055	1	10		DGCFRN
Cc1cccc2c1/C(=C/c1ccc(N3CCOCC3)cc1)C(=O)N2	ZINC000013780153	134516497	/nfs/dbraw/zinc/51/64/97/134516497.db2.gz	KBPBXFBACWNRGQ-LGMDPLHJSA-N	0	0	320.392	3.324	1	10		DGCFRN
O=C(c1cc2c(o1)C(=O)c1ccccc1C2=O)c1ccccc1	ZINC000095552725	185379246	/nfs/dbraw/zinc/37/92/46/185379246.db2.gz	RPYJCCQYRXZSAT-UHFFFAOYSA-N	0	0	302.285	3.286	1	10		DGCFRN
Cc1cc2c(c(O)c1O)C(=O)N(Cc1ccc(F)c(Cl)c1)C2	ZINC000095562652	185379862	/nfs/dbraw/zinc/37/98/62/185379862.db2.gz	HNGLYFPTQKTVFG-UHFFFAOYSA-N	0	0	321.735	3.355	1	10		DGCFRN
Cc1nc2c(n1Cc1ccc(F)cc1)C(=O)c1ccccc1C2=O	ZINC000013216723	181838164	/nfs/dbraw/zinc/83/81/64/181838164.db2.gz	JTHJARBCUPHUQE-UHFFFAOYSA-N	0	0	320.323	3.154	1	10		DGCFRN
CC(=O)O[C@H](C)c1cc2c(s1)C(=O)c1ccsc1C2=O	ZINC000006443270	181341461	/nfs/dbraw/zinc/34/14/61/181341461.db2.gz	NGBBUFDTQZQCTF-ZCFIWIBFSA-N	0	0	306.364	3.209	1	10		DGCFRN
COc1ccc2[nH]c(Sc3ncc([N+](=O)[O-])s3)nc2c1	ZINC000040829461	183139638	/nfs/dbraw/zinc/13/96/38/183139638.db2.gz	NKBMZZYFCHEQOG-UHFFFAOYSA-N	0	0	308.344	3.087	1	10		DGCFRN
CC(=O)N1N=C(c2ccc(C)cc2)O[C@@H]1c1ccc(N(C)C)cc1	ZINC000072178579	191070972	/nfs/dbraw/zinc/07/09/72/191070972.db2.gz	HKJNQGJKJPVYTI-LJQANCHMSA-N	0	0	323.396	3.300	1	10		DGCFRN
O=C1c2c(ccc(O)c2O)CN1Cc1ccc(F)cc1Cl	ZINC000043070461	183334145	/nfs/dbraw/zinc/33/41/45/183334145.db2.gz	GLNDIROAFDVPPB-UHFFFAOYSA-N	0	0	307.708	3.046	1	10		DGCFRN
Oc1cc2cc(C3=NCCN3Cc3ccccc3)oc2cc1O	ZINC000064245717	184293257	/nfs/dbraw/zinc/29/32/57/184293257.db2.gz	ZIONPLFYPGHTLI-UHFFFAOYSA-N	0	0	308.337	3.106	1	10		DGCFRN