smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c1	ZINC000126388291	958589166	/nfs/dbraw/zinc/58/91/66/958589166.db2.gz	DBVYQIKFMOCUFO-LICLKQGHSA-N	-1	0	305.333	3.792	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])o1)c1nc2cc(F)ccc2s1	ZINC000739062252	978615507	/nfs/dbraw/zinc/61/55/07/978615507.db2.gz	NUHZTYVGUDYXRY-VMPITWQZSA-N	-1	0	314.297	3.791	20	50		DHGDRM
N#C/C(=C\c1ccoc1C(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000739062502	978615538	/nfs/dbraw/zinc/61/55/38/978615538.db2.gz	QXSJITTVAITDDA-WEVVVXLNSA-N	-1	0	314.297	3.791	20	50		DHGDRM
CCCC[C@@H](CCC)NC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595633486	981872934	/nfs/dbraw/zinc/87/29/34/981872934.db2.gz	LRJVHOGOCOHDDS-CYBMUJFWSA-N	-1	0	321.421	3.678	20	50		DHGDRM
CCCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595698305	982250671	/nfs/dbraw/zinc/25/06/71/982250671.db2.gz	QZJSQTBSZHKNCW-GFCCVEGCSA-N	-1	0	324.396	3.964	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)C(=O)c1cc2ccccc2o1	ZINC000916130680	982671719	/nfs/dbraw/zinc/67/17/19/982671719.db2.gz	AJMAFMPEJTUCRZ-DHDCSXOGSA-N	-1	0	317.300	3.921	20	50		DHGDRM
CC(C)(C(=O)NNc1ccc(C(=O)[O-])cc1F)C1CCCCC1	ZINC001589574962	987350420	/nfs/dbraw/zinc/35/04/20/987350420.db2.gz	QGMJNTVSYVPNOM-UHFFFAOYSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CC(C)(C(=O)[O-])c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	ZINC001589634080	987549484	/nfs/dbraw/zinc/54/94/84/987549484.db2.gz	QXTPAHGWKRENGZ-UHFFFAOYSA-N	-1	0	323.820	3.785	20	50		DHGDRM
CC(C)(C)CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001589742123	988016477	/nfs/dbraw/zinc/01/64/77/988016477.db2.gz	NGFVZQIPCWCGKM-UHFFFAOYSA-N	-1	0	323.345	3.661	20	50		DHGDRM
CCc1oc(C=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C(=O)[O-]	ZINC001597790752	989315528	/nfs/dbraw/zinc/31/55/28/989315528.db2.gz	DZZVEFFKQFEACU-YRNVUSSQSA-N	-1	0	321.336	3.789	20	50		DHGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000826730011	603810825	/nfs/dbraw/zinc/81/08/25/603810825.db2.gz	VGEGLTKFCKAMRC-GQVHDAKQSA-N	-1	0	312.369	3.639	20	50		DHGDRM
CCCCCC[C@](C)(CC)C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001589642363	949705933	/nfs/dbraw/zinc/70/59/33/949705933.db2.gz	PTXHHURTHZUGMP-KRWDZBQOSA-N	-1	0	321.421	3.610	20	50		DHGDRM
CCCN(N=C1CC[C@H](CC(=O)[O-])[C@@H]1C)C(=O)OC(C)(C)C	ZINC000495589486	974260865	/nfs/dbraw/zinc/26/08/65/974260865.db2.gz	AKYKJHPGMLBMAF-NWDGAFQWSA-N	-1	0	312.410	3.510	20	50		DHGDRM
CC(C)c1ccc(NNC(=O)Nc2ccc(C(=O)[O-])s2)cc1	ZINC001591974390	976589023	/nfs/dbraw/zinc/58/90/23/976589023.db2.gz	ULFYLZHKMMYNRB-UHFFFAOYSA-N	-1	0	319.386	3.718	20	50		DHGDRM
Cc1oc(C=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C(=O)[O-]	ZINC000738969066	978611443	/nfs/dbraw/zinc/61/14/43/978611443.db2.gz	GZEGYJIZAQVIDV-WDZFZDKYSA-N	-1	0	307.309	3.535	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)c1cc(C(F)(F)F)ccn1	ZINC000812247032	978869366	/nfs/dbraw/zinc/86/93/66/978869366.db2.gz	YLHJFUQTUKBXBN-GHXNOFRVSA-N	-1	0	318.254	3.863	20	50		DHGDRM
CCC[C@@H](CC(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595586295	981531471	/nfs/dbraw/zinc/53/14/71/981531471.db2.gz	VCBOFQKJEINQKK-ZDUSSCGKSA-N	-1	0	306.406	3.599	20	50		DHGDRM
CCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595632252	981852065	/nfs/dbraw/zinc/85/20/65/981852065.db2.gz	UOXQIHQIXFRLNV-SNVBAGLBSA-N	-1	0	312.797	3.698	20	50		DHGDRM
CCCCC[C@@](C)(CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595666311	982099128	/nfs/dbraw/zinc/09/91/28/982099128.db2.gz	IDYGPSLOLQUKKV-QGZVFWFLSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CC[C@@H](C)CCCCC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594958494	982698736	/nfs/dbraw/zinc/69/87/36/982698736.db2.gz	CBSJLSHZGOULOE-GFCCVEGCSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CC[C@H](C)CCCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001594959290	982705948	/nfs/dbraw/zinc/70/59/48/982705948.db2.gz	PYQSQLCZATXFQK-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CC(C)CC(CC(C)C)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001591143917	991874243	/nfs/dbraw/zinc/87/42/43/991874243.db2.gz	XAPUKUCBCAACGS-UHFFFAOYSA-N	-1	0	306.406	3.536	20	50		DHGDRM
CC(C)CC1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CCCC1	ZINC001591193371	992010294	/nfs/dbraw/zinc/01/02/94/992010294.db2.gz	YGRJMNNBOXFHTA-UHFFFAOYSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CC(C)CCCCCC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001591236337	992116451	/nfs/dbraw/zinc/11/64/51/992116451.db2.gz	CXZRDCMUBYXRPO-UHFFFAOYSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCC(CC)C(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000826566866	603808391	/nfs/dbraw/zinc/80/83/91/603808391.db2.gz	ZJXDUKAKBOLVAB-GDNBJRDFSA-N	-1	0	312.369	3.639	20	50		DHGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccc(C(=O)[O-])cc3)nc21	ZINC000735620386	978301909	/nfs/dbraw/zinc/30/19/09/978301909.db2.gz	YULZYGFKRBDVJX-ZROIWOOFSA-N	-1	0	303.321	3.634	20	50		DHGDRM
CCCC[C@H](CCC)CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595632683	981858994	/nfs/dbraw/zinc/85/89/94/981858994.db2.gz	MVJVDIIGSNTIRD-ZDUSSCGKSA-N	-1	0	321.421	3.617	20	50		DHGDRM
CCCCC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595663410	982084334	/nfs/dbraw/zinc/08/43/34/982084334.db2.gz	VYFKNUUKOLVZHE-AWEZNQCLSA-N	-1	0	320.433	3.989	20	50		DHGDRM
CCCCC[C@@H](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595667077	982109878	/nfs/dbraw/zinc/10/98/78/982109878.db2.gz	ZNQJPHHKYSXENZ-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCCC[C@@H](C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595694861	982214491	/nfs/dbraw/zinc/21/44/91/982214491.db2.gz	JGSXZAMUCBGIPX-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCc1oc(C=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C(=O)[O-]	ZINC001597790751	989315251	/nfs/dbraw/zinc/31/52/51/989315251.db2.gz	DZZVEFFKQFEACU-XFFZJAGNSA-N	-1	0	321.336	3.789	20	50		DHGDRM
CC1(C)CCC(CC(=O)NNc2ccc(C(=O)[O-])cc2F)CC1	ZINC001593874683	996691594	/nfs/dbraw/zinc/69/15/94/996691594.db2.gz	XVJMJWZJNCKLSR-UHFFFAOYSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001593904296	996781109	/nfs/dbraw/zinc/78/11/09/996781109.db2.gz	APWURNBMAFGFLL-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)C1CCCCC1	ZINC000831064239	605236419	/nfs/dbraw/zinc/23/64/19/605236419.db2.gz	DHIBLJWTMQBJBE-LFIBNONCSA-N	-1	0	324.380	3.783	20	50		DHGDRM
CC(C)CC1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCC1	ZINC000833479899	605245669	/nfs/dbraw/zinc/24/56/69/605245669.db2.gz	LMMOLHKAVWWTJE-UHFFFAOYSA-N	-1	0	324.808	3.698	20	50		DHGDRM
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833612170	605247895	/nfs/dbraw/zinc/24/78/95/605247895.db2.gz	RYTKQCCWQGHQFQ-MNOVXSKESA-N	-1	0	324.808	3.698	20	50		DHGDRM
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)[O-]	ZINC000011802595	956891701	/nfs/dbraw/zinc/89/17/01/956891701.db2.gz	PPBHZCTUTINROV-ZSOIEALJSA-N	-1	0	313.740	3.911	20	50		DHGDRM
Cc1oc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1C(=O)[O-]	ZINC000738682254	978587892	/nfs/dbraw/zinc/58/78/92/978587892.db2.gz	PRUKXNXRHRJEFX-QPEQYQDCSA-N	-1	0	309.321	3.693	20	50		DHGDRM
CC(=NNC(=O)c1ccc(Cl)cc1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814688252	978872593	/nfs/dbraw/zinc/87/25/93/978872593.db2.gz	QACZNKIYOWHYBB-NSHDSACASA-N	-1	0	324.808	3.727	20	50		DHGDRM
CCCC[C@@H](CCC)CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595632682	981858947	/nfs/dbraw/zinc/85/89/47/981858947.db2.gz	MVJVDIIGSNTIRD-CYBMUJFWSA-N	-1	0	321.421	3.617	20	50		DHGDRM
CCCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595668987	982112301	/nfs/dbraw/zinc/11/23/01/982112301.db2.gz	FOHUYLHURYGFJH-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCC[C@H](CC)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595668989	982112486	/nfs/dbraw/zinc/11/24/86/982112486.db2.gz	FOHUYLHURYGFJH-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCCCCCC(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595704999	982281929	/nfs/dbraw/zinc/28/19/29/982281929.db2.gz	MYBZSCCQYZKYIP-UHFFFAOYSA-N	-1	0	306.406	3.887	20	50		DHGDRM
CC[C@H]1CC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC001597355405	987501612	/nfs/dbraw/zinc/50/16/12/987501612.db2.gz	DWPSVODZGSZSCI-XYPYZODXSA-N	-1	0	324.808	3.698	20	50		DHGDRM
CC(C)=CCC[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001590922261	990919065	/nfs/dbraw/zinc/91/90/65/990919065.db2.gz	WELOKPGGAPISRK-GFCCVEGCSA-N	-1	0	322.380	3.740	20	50		DHGDRM
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833608600	605247839	/nfs/dbraw/zinc/24/78/39/605247839.db2.gz	NKUSWNNRAROHPQ-WDEREUQCSA-N	-1	0	324.808	3.698	20	50		DHGDRM
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833608598	605247852	/nfs/dbraw/zinc/24/78/52/605247852.db2.gz	NKUSWNNRAROHPQ-MNOVXSKESA-N	-1	0	324.808	3.698	20	50		DHGDRM
CC(C)(C)c1ccc(C(=O)NNc2cccc(C(=O)[O-])c2)s1	ZINC000833450353	605736967	/nfs/dbraw/zinc/73/69/67/605736967.db2.gz	QCMPOYCREDEQII-UHFFFAOYSA-N	-1	0	318.398	3.501	20	50		DHGDRM
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(C(=O)[O-])c1	ZINC000490878603	953531139	/nfs/dbraw/zinc/53/11/39/953531139.db2.gz	OUDMKVYROAXIOW-YBEGLDIGSA-N	-1	0	320.348	3.547	20	50		DHGDRM
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c(C)c1	ZINC000490877734	974255476	/nfs/dbraw/zinc/25/54/76/974255476.db2.gz	MQIBKNCKWKOSGR-YBEGLDIGSA-N	-1	0	320.348	3.547	20	50		DHGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])ccc1Cl	ZINC001595568023	981470971	/nfs/dbraw/zinc/47/09/71/981470971.db2.gz	XAZXYATWZRIGMC-SEEODLKFSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CCCC[C@@H](CC)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595631998	981847106	/nfs/dbraw/zinc/84/71/06/981847106.db2.gz	MYIMHKQZHKKWLT-CYBMUJFWSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CCCC[C@H](CC)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595631999	981847225	/nfs/dbraw/zinc/84/72/25/981847225.db2.gz	MYIMHKQZHKKWLT-ZDUSSCGKSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CC[C@H](C)CCCCC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001594958495	982698338	/nfs/dbraw/zinc/69/83/38/982698338.db2.gz	CBSJLSHZGOULOE-LBPRGKRZSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CC/C(=C\C(=O)NNc1ccccc1C(=O)[O-])c1ccc(C)cc1	ZINC001594690611	987081199	/nfs/dbraw/zinc/08/11/99/987081199.db2.gz	DWWKGNRCHTUZLL-WYMLVPIESA-N	-1	0	324.380	3.630	20	50		DHGDRM
CC/C(=C/C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C)cc1	ZINC001594691712	987093255	/nfs/dbraw/zinc/09/32/55/987093255.db2.gz	ZCPFUCHYHAPONG-OWBHPGMISA-N	-1	0	324.380	3.630	20	50		DHGDRM
CCc1oc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC001597791610	989324166	/nfs/dbraw/zinc/32/41/66/989324166.db2.gz	SCQADJOHYZYBKE-ZSOIEALJSA-N	-1	0	323.348	3.947	20	50		DHGDRM
CCc1oc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC001597791933	989327701	/nfs/dbraw/zinc/32/77/01/989327701.db2.gz	ZVAWJCNIKBOUPW-RIYZIHGNSA-N	-1	0	323.348	3.947	20	50		DHGDRM
C[C@H]1CC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C[C@H](C)C1	ZINC000833595114	605245900	/nfs/dbraw/zinc/24/59/00/605245900.db2.gz	SOSCRGJCGGQBPV-NXEZZACHSA-N	-1	0	324.808	3.554	20	50		DHGDRM
CCCN(N=C1CC[C@@H](CC(=O)[O-])[C@H]1C)C(=O)OC(C)(C)C	ZINC000495589475	974261149	/nfs/dbraw/zinc/26/11/49/974261149.db2.gz	AKYKJHPGMLBMAF-NEPJUHHUSA-N	-1	0	312.410	3.510	20	50		DHGDRM
CC(C)Oc1cc(Cl)c(/C=C(/C#N)C(=O)[O-])cc1Cl	ZINC001591755604	975820813	/nfs/dbraw/zinc/82/08/13/975820813.db2.gz	PICWPQDFXHEECZ-OQFOIZHKSA-N	-1	0	300.141	3.772	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc(C(F)(F)F)ccn1	ZINC000812247035	978869109	/nfs/dbraw/zinc/86/91/09/978869109.db2.gz	YLHJFUQTUKBXBN-KPKJPENVSA-N	-1	0	318.254	3.863	20	50		DHGDRM
Cc1oc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1C(=O)[O-]	ZINC000899344344	980227730	/nfs/dbraw/zinc/22/77/30/980227730.db2.gz	QIIJAWYGZCKMKX-WMZJFQQLSA-N	-1	0	302.355	3.930	20	50		DHGDRM
CCCCCC[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595698307	982250803	/nfs/dbraw/zinc/25/08/03/982250803.db2.gz	QZJSQTBSZHKNCW-LBPRGKRZSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CC/C(=C\C(=O)NNc1cccc(C(=O)[O-])c1)c1ccc(C)cc1	ZINC001594691713	987093323	/nfs/dbraw/zinc/09/33/23/987093323.db2.gz	ZCPFUCHYHAPONG-WYMLVPIESA-N	-1	0	324.380	3.630	20	50		DHGDRM
CCC[C@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C(C)C	ZINC000833647376	605247746	/nfs/dbraw/zinc/24/77/46/605247746.db2.gz	DMTWLVKFCFPQMI-NSHDSACASA-N	-1	0	312.797	3.554	20	50		DHGDRM
CC1(C)CCC[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833560165	605247769	/nfs/dbraw/zinc/24/77/69/605247769.db2.gz	BYKIDGYNIRCRJK-JTQLQIEISA-N	-1	0	324.808	3.698	20	50		DHGDRM
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833608599	605247825	/nfs/dbraw/zinc/24/78/25/605247825.db2.gz	NKUSWNNRAROHPQ-QWRGUYRKSA-N	-1	0	324.808	3.698	20	50		DHGDRM
O=C([O-])Nc1cc2ccccc2cc1C(=O)NNc1ccccc1	ZINC000834255427	605714673	/nfs/dbraw/zinc/71/46/73/605714673.db2.gz	GDNKHBPDUMFDSY-UHFFFAOYSA-N	-1	0	321.336	3.687	20	50		DHGDRM
CC(C)c1ccc(NNC(=O)Nc2ccccc2C(=O)[O-])cc1	ZINC001588968624	962659239	/nfs/dbraw/zinc/65/92/39/962659239.db2.gz	NWXMNOPNWVOWPP-UHFFFAOYSA-N	-1	0	313.357	3.657	20	50		DHGDRM
O=C([O-])NNC(=O)Nc1cccc(CSC2CCCCC2)c1	ZINC000740003746	978662536	/nfs/dbraw/zinc/66/25/36/978662536.db2.gz	TYKGNEWBHFKGMV-UHFFFAOYSA-N	-1	0	323.418	3.557	20	50		DHGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)c1ccc2ccccc2n1	ZINC000774120144	978746520	/nfs/dbraw/zinc/74/65/20/978746520.db2.gz	TWYNPVYMMODWNG-LFIBNONCSA-N	-1	0	300.317	3.997	20	50		DHGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])ccc1Cl	ZINC001595568022	981470752	/nfs/dbraw/zinc/47/07/52/981470752.db2.gz	XAZXYATWZRIGMC-GARZTLJTSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CCCCCC(C)(C)CNC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595663028	982082271	/nfs/dbraw/zinc/08/22/71/982082271.db2.gz	PSHZFQHHLVQKFC-UHFFFAOYSA-N	-1	0	321.421	3.617	20	50		DHGDRM
CC(C)(C)[Si](C)(C)OCCSc1nc(C(=O)[O-])cs1	ZINC001590451328	990013323	/nfs/dbraw/zinc/01/33/23/990013323.db2.gz	JBXKIXZORVJZQC-UHFFFAOYSA-N	-1	0	319.524	3.955	20	50		DHGDRM
CC(C)C[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833474105	605245645	/nfs/dbraw/zinc/24/56/45/605245645.db2.gz	LFVROPMLSJVLQI-SNVBAGLBSA-N	-1	0	312.797	3.554	20	50		DHGDRM
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833612172	605247929	/nfs/dbraw/zinc/24/79/29/605247929.db2.gz	RYTKQCCWQGHQFQ-WDEREUQCSA-N	-1	0	324.808	3.698	20	50		DHGDRM
CC(C)c1ccc(NNC(=O)Nc2cccc(C(=O)[O-])c2)cc1	ZINC001591974491	976590110	/nfs/dbraw/zinc/59/01/10/976590110.db2.gz	ZFNKFUIRNIJWRK-UHFFFAOYSA-N	-1	0	313.357	3.657	20	50		DHGDRM
CC(C)c1ccoc1C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592003585	976662583	/nfs/dbraw/zinc/66/25/83/976662583.db2.gz	YSOVQJJKDHSWKH-UHFFFAOYSA-N	-1	0	322.748	3.512	20	50		DHGDRM
C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCCC1	ZINC001592253542	977486962	/nfs/dbraw/zinc/48/69/62/977486962.db2.gz	ZGWSRBYYKYERQD-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001592465685	978207878	/nfs/dbraw/zinc/20/78/78/978207878.db2.gz	JJXBNPOHRREFDB-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)c1C	ZINC000727655515	978291888	/nfs/dbraw/zinc/29/18/88/978291888.db2.gz	VTMGNOMIFLXYOE-MHWRWJLKSA-N	-1	0	305.333	3.792	20	50		DHGDRM
CC[C@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595125752	979510036	/nfs/dbraw/zinc/51/00/36/979510036.db2.gz	HZTOQEVYQJDWIM-CQSZACIVSA-N	-1	0	318.417	3.825	20	50		DHGDRM
CCCC(=CC(=O)NNc1cccc(C(=O)[O-])c1C)CCC	ZINC001595522033	981343700	/nfs/dbraw/zinc/34/37/00/981343700.db2.gz	JJNGQPQMTNQYBG-UHFFFAOYSA-N	-1	0	304.390	3.663	20	50		DHGDRM
CCCCCC[C@@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595697944	982247642	/nfs/dbraw/zinc/24/76/42/982247642.db2.gz	NWOFVCNQNWFSCE-GFCCVEGCSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CCc1oc(/C=C(\C#N)C(=O)c2sccc2C)cc1C(=O)[O-]	ZINC001597790711	989313938	/nfs/dbraw/zinc/31/39/38/989313938.db2.gz	CXKYTHKPBKMPFA-UXBLZVDNSA-N	-1	0	315.350	3.700	20	50		DHGDRM
CC(C)CC(CC(C)C)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001591143438	991870823	/nfs/dbraw/zinc/87/08/23/991870823.db2.gz	RWVHDNZHZJQCSK-UHFFFAOYSA-N	-1	0	306.406	3.536	20	50		DHGDRM
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c1C	ZINC000126423743	958592007	/nfs/dbraw/zinc/59/20/07/958592007.db2.gz	SJPSOUOODSWSLH-MHWRWJLKSA-N	-1	0	305.333	3.792	20	50		DHGDRM
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)[O-]	ZINC000211598455	959694760	/nfs/dbraw/zinc/69/47/60/959694760.db2.gz	PALKZOYNBTXBGO-YFHOEESVSA-N	-1	0	318.126	3.701	20	50		DHGDRM
CC(=NNC(=O)[O-])c1c(F)cccc1O[C@@H](C)c1ccccc1	ZINC000736121621	978304157	/nfs/dbraw/zinc/30/41/57/978304157.db2.gz	ONVJICQNEBPQMG-LBPRGKRZSA-N	-1	0	316.332	3.957	20	50		DHGDRM
CC[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1C)C(C)(C)C	ZINC001595036941	979201008	/nfs/dbraw/zinc/20/10/08/979201008.db2.gz	JQUOYBGTGYFRMA-GFCCVEGCSA-N	-1	0	306.406	3.599	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])c(F)c1)C(=O)C1CCCCC1	ZINC000849179206	979486671	/nfs/dbraw/zinc/48/66/71/979486671.db2.gz	LLLRNYRCMQAWHV-MDWZMJQESA-N	-1	0	301.317	3.580	20	50		DHGDRM
CCC[C@@](C)(CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595542255	981403342	/nfs/dbraw/zinc/40/33/42/981403342.db2.gz	SWYZVFAGJJFHAA-OAHLLOKOSA-N	-1	0	312.797	3.698	20	50		DHGDRM
CCC[C@H](CC(C)C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595586294	981531238	/nfs/dbraw/zinc/53/12/38/981531238.db2.gz	VCBOFQKJEINQKK-CYBMUJFWSA-N	-1	0	306.406	3.599	20	50		DHGDRM
CCCCCC[C@H](CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595699173	982256334	/nfs/dbraw/zinc/25/63/34/982256334.db2.gz	XITSNNFSSMUYQR-LBPRGKRZSA-N	-1	0	324.396	3.964	20	50		DHGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccc(F)c(F)c1F	ZINC000914786918	982659554	/nfs/dbraw/zinc/65/95/54/982659554.db2.gz	UKZBVWMTQPHHJA-WDZFZDKYSA-N	-1	0	320.270	3.503	20	50		DHGDRM
CC(C)c1ccc(NNC(=O)C2(C(=O)[O-])CCCCCC2)cc1	ZINC001588968901	962659683	/nfs/dbraw/zinc/65/96/83/962659683.db2.gz	TZQUXQYMESPXMB-UHFFFAOYSA-N	-1	0	318.417	3.678	20	50		DHGDRM
CCC(CC)(CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595057785	979302817	/nfs/dbraw/zinc/30/28/17/979302817.db2.gz	JXQQGMPVNSUYNH-UHFFFAOYSA-N	-1	0	312.797	3.698	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])c(F)c1)C(=O)C1CCCCC1	ZINC000849179204	979486892	/nfs/dbraw/zinc/48/68/92/979486892.db2.gz	LLLRNYRCMQAWHV-JYRVWZFOSA-N	-1	0	301.317	3.580	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1nc2cc(F)ccc2s1	ZINC000833064793	601331928	/nfs/dbraw/zinc/33/19/28/601331928.db2.gz	WGIZZMILZGXLRI-VMPITWQZSA-N	-1	0	313.313	3.526	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)cs1	ZINC000833064642	601445477	/nfs/dbraw/zinc/44/54/77/601445477.db2.gz	TWHDZNSIKKABKH-XYOKQWHBSA-N	-1	0	321.361	3.901	20	50		DHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1ccsc1	ZINC000831065975	603810195	/nfs/dbraw/zinc/81/01/95/603810195.db2.gz	UKPAINDGQNGOIZ-RIYZIHGNSA-N	-1	0	324.361	3.578	20	50		DHGDRM
Cc1cc(/C=C(\C#N)C(=O)[O-])c(C)n1-c1ccc2c(c1)CCC2	ZINC000007918754	956883187	/nfs/dbraw/zinc/88/31/87/956883187.db2.gz	HJKZHMOMOUPFPR-RQZCQDPDSA-N	-1	0	306.365	3.574	20	50		DHGDRM
Cc1cccc(NNC(=O)C2(C(=O)[O-])CCCCCC2)c1Cl	ZINC001574396962	961212168	/nfs/dbraw/zinc/21/21/68/961212168.db2.gz	GMXQUTFASMXBIT-UHFFFAOYSA-N	-1	0	324.808	3.517	20	50		DHGDRM
C[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)C1CCCCC1	ZINC001592251406	977478900	/nfs/dbraw/zinc/47/89/00/977478900.db2.gz	BYGCWKLIFJBRJG-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c1C	ZINC000774140133	978746927	/nfs/dbraw/zinc/74/69/27/978746927.db2.gz	SJPSOUOODSWSLH-YBEGLDIGSA-N	-1	0	305.333	3.792	20	50		DHGDRM
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)cc1C	ZINC000809145679	978853669	/nfs/dbraw/zinc/85/36/69/978853669.db2.gz	CTNQUGLHDUYMJZ-YVLHZVERSA-N	-1	0	305.333	3.792	20	50		DHGDRM
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)cc1C	ZINC000809145678	978853967	/nfs/dbraw/zinc/85/39/67/978853967.db2.gz	CTNQUGLHDUYMJZ-LICLKQGHSA-N	-1	0	305.333	3.792	20	50		DHGDRM
CCCCC[C@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C	ZINC001595663347	982083942	/nfs/dbraw/zinc/08/39/42/982083942.db2.gz	VBYUJXDALKHIMF-ZDUSSCGKSA-N	-1	0	324.396	3.820	20	50		DHGDRM
CCCCCC[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595694684	982213635	/nfs/dbraw/zinc/21/36/35/982213635.db2.gz	GUQCHRZAZLOMDE-NSHDSACASA-N	-1	0	323.345	3.805	20	50		DHGDRM
C/C(C#N)=C\CSc1ccc(Br)cc1C(=O)[O-]	ZINC001589323699	986148719	/nfs/dbraw/zinc/14/87/19/986148719.db2.gz	KOETZDOXKFXUFN-XBXARRHUSA-N	-1	0	312.188	3.709	20	50		DHGDRM
CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001593904357	996781027	/nfs/dbraw/zinc/78/10/27/996781027.db2.gz	BTQMXRYJEFNWMS-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1	ZINC000833063773	601790520	/nfs/dbraw/zinc/79/05/20/601790520.db2.gz	LOKJNCAPPYKUFA-MLPAPPSSSA-N	-1	0	321.361	3.901	20	50		DHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)C1CCCCC1	ZINC000831064240	605236224	/nfs/dbraw/zinc/23/62/24/605236224.db2.gz	DHIBLJWTMQBJBE-WJDWOHSUSA-N	-1	0	324.380	3.783	20	50		DHGDRM
CC1(C)CCC[C@@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833560166	605247935	/nfs/dbraw/zinc/24/79/35/605247935.db2.gz	BYKIDGYNIRCRJK-SNVBAGLBSA-N	-1	0	324.808	3.698	20	50		DHGDRM
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c1C	ZINC000774119772	955325377	/nfs/dbraw/zinc/32/53/77/955325377.db2.gz	HREKRKNLPFBUPR-YBEGLDIGSA-N	-1	0	320.348	3.547	20	50		DHGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	ZINC000158296426	959086387	/nfs/dbraw/zinc/08/63/87/959086387.db2.gz	YCBVSJRERYEXLO-ZROIWOOFSA-N	-1	0	316.316	3.656	20	50		DHGDRM
C[C@H](CC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592439483	978091554	/nfs/dbraw/zinc/09/15/54/978091554.db2.gz	KQLPFTFQYXRHJW-SECBINFHSA-N	-1	0	312.797	3.554	20	50		DHGDRM
CC(=NNC(=O)c1ccc(Cl)cc1)[C@H](C)CCCCC(=O)[O-]	ZINC000814688251	978872321	/nfs/dbraw/zinc/87/23/21/978872321.db2.gz	QACZNKIYOWHYBB-LLVKDONJSA-N	-1	0	324.808	3.727	20	50		DHGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)[O-])ccc1Cl	ZINC001595568024	981470762	/nfs/dbraw/zinc/47/07/62/981470762.db2.gz	XAZXYATWZRIGMC-XNFYSYIQSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CCCCCC[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595695057	982215881	/nfs/dbraw/zinc/21/58/81/982215881.db2.gz	OIBFCLBPPMSACY-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001595697573	982243892	/nfs/dbraw/zinc/24/38/92/982243892.db2.gz	MDJVEHABOQSNDE-GFCCVEGCSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CC(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])cc1C(F)(F)F	ZINC001590928273	990941325	/nfs/dbraw/zinc/94/13/25/990941325.db2.gz	ZIQVLAIKHFBDLK-WZUFQYTHSA-N	-1	0	311.259	3.536	20	50		DHGDRM
CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001593904299	996781070	/nfs/dbraw/zinc/78/10/70/996781070.db2.gz	APWURNBMAFGFLL-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1ccc(NNC(=O)[C@@]2(C)CCC(C)=C(C)C2)cc1C(=O)[O-]	ZINC001594110330	998208709	/nfs/dbraw/zinc/20/87/09/998208709.db2.gz	UIAGTEMXXWAQDF-SFHVURJKSA-N	-1	0	316.401	3.663	20	50		DHGDRM
C[C@H]1C[C@H](C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)C1	ZINC000833595115	605246187	/nfs/dbraw/zinc/24/61/87/605246187.db2.gz	SOSCRGJCGGQBPV-URLYPYJESA-N	-1	0	324.808	3.554	20	50		DHGDRM
Cc1ccc(NNC(=O)C2(C(=O)[O-])CCCCCC2)c(Cl)c1	ZINC001594373297	958562564	/nfs/dbraw/zinc/56/25/64/958562564.db2.gz	OTFYIXRWLLAROM-UHFFFAOYSA-N	-1	0	324.808	3.517	20	50		DHGDRM
C[C@H](CC(=O)NNc1cccc(F)c1C(=O)[O-])C1CCCCC1	ZINC001592252568	977482225	/nfs/dbraw/zinc/48/22/25/977482225.db2.gz	MWFBPAYVDWLURX-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CC(C)(C)n1cc(C=NNC(=O)[O-])c(-c2ccccc2Cl)n1	ZINC000736305244	978319224	/nfs/dbraw/zinc/31/92/24/978319224.db2.gz	GBMMCAOZJUPBNK-UHFFFAOYSA-N	-1	0	320.780	3.560	20	50		DHGDRM
CCc1ccc(C(=O)NN=C(C)[C@@H](C)CCCCC(=O)[O-])cc1	ZINC000814744932	978879563	/nfs/dbraw/zinc/87/95/63/978879563.db2.gz	CWWLDXFTSFEHEQ-ZDUSSCGKSA-N	-1	0	318.417	3.636	20	50		DHGDRM
CCCC[C@H](CC)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595631963	981847315	/nfs/dbraw/zinc/84/73/15/981847315.db2.gz	MDZPPGUBJRHETJ-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCC[C@H](CCC)NC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595633487	981872914	/nfs/dbraw/zinc/87/29/14/981872914.db2.gz	LRJVHOGOCOHDDS-ZDUSSCGKSA-N	-1	0	321.421	3.678	20	50		DHGDRM
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@@H](C)C(C)(C)C	ZINC001589552472	987286645	/nfs/dbraw/zinc/28/66/45/987286645.db2.gz	GAMMPTKFHYWTGJ-NXEZZACHSA-N	-1	0	323.345	3.517	20	50		DHGDRM
CCc1oc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-]	ZINC001597791608	989323970	/nfs/dbraw/zinc/32/39/70/989323970.db2.gz	SCQADJOHYZYBKE-RIYZIHGNSA-N	-1	0	323.348	3.947	20	50		DHGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000826730010	603810855	/nfs/dbraw/zinc/81/08/55/603810855.db2.gz	VGEGLTKFCKAMRC-DYTQJMLRSA-N	-1	0	312.369	3.639	20	50		DHGDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000833416438	604947694	/nfs/dbraw/zinc/94/76/94/604947694.db2.gz	ZXVIVKZEWZJNDR-SLVCOGOPSA-N	-1	0	316.376	3.513	20	50		DHGDRM
CCC[C@@H](C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C(C)C	ZINC000833647375	605247846	/nfs/dbraw/zinc/24/78/46/605247846.db2.gz	DMTWLVKFCFPQMI-LLVKDONJSA-N	-1	0	312.797	3.554	20	50		DHGDRM
C[C@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001592465684	978207494	/nfs/dbraw/zinc/20/74/94/978207494.db2.gz	JJXBNPOHRREFDB-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1	ZINC000812247051	978869195	/nfs/dbraw/zinc/86/91/95/978869195.db2.gz	YNPZGVNRKPHGTQ-GHXNOFRVSA-N	-1	0	318.254	3.863	20	50		DHGDRM
CC[C@@H](CC(=O)NNc1cccc(C(=O)[O-])c1C)C(C)(C)C	ZINC001595036942	979201111	/nfs/dbraw/zinc/20/11/11/979201111.db2.gz	JQUOYBGTGYFRMA-LBPRGKRZSA-N	-1	0	306.406	3.599	20	50		DHGDRM
CCCCC[C@@](C)(CC)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595666281	982098034	/nfs/dbraw/zinc/09/80/34/982098034.db2.gz	HNVRHXHRKQGTOP-QGZVFWFLSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CCCCC[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595666857	982108136	/nfs/dbraw/zinc/10/81/36/982108136.db2.gz	VHYHNCPGKYXJGW-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CC1(C)CCCC[C@H]1CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001593904358	996781076	/nfs/dbraw/zinc/78/10/76/996781076.db2.gz	BTQMXRYJEFNWMS-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1nc(-c2ccccc2)cs1	ZINC000833063771	601790486	/nfs/dbraw/zinc/79/04/86/601790486.db2.gz	LOKJNCAPPYKUFA-AWNIVKPZSA-N	-1	0	321.361	3.901	20	50		DHGDRM
CCC(CC)C(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000826566867	603808520	/nfs/dbraw/zinc/80/85/20/603808520.db2.gz	ZJXDUKAKBOLVAB-XNTDXEJSSA-N	-1	0	312.369	3.639	20	50		DHGDRM
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000826730012	603811162	/nfs/dbraw/zinc/81/11/62/603811162.db2.gz	VGEGLTKFCKAMRC-JXCQQFQQSA-N	-1	0	312.369	3.639	20	50		DHGDRM
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833612171	605247822	/nfs/dbraw/zinc/24/78/22/605247822.db2.gz	RYTKQCCWQGHQFQ-QWRGUYRKSA-N	-1	0	324.808	3.698	20	50		DHGDRM
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)[O-])cc1	ZINC000007155424	956879648	/nfs/dbraw/zinc/87/96/48/956879648.db2.gz	MRECIVWSXZQSHO-SFQUDFHCSA-N	-1	0	306.365	3.705	20	50		DHGDRM
Cc1cccc(C(C)C)c1NNC(=O)C1(C(=O)[O-])CCCCC1	ZINC001605322183	973162567	/nfs/dbraw/zinc/16/25/67/973162567.db2.gz	WFLQYTVDGMEERJ-UHFFFAOYSA-N	-1	0	318.417	3.597	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])o1)c1nc2cc(F)ccc2s1	ZINC000739062253	978615500	/nfs/dbraw/zinc/61/55/00/978615500.db2.gz	NUHZTYVGUDYXRY-YVMONPNESA-N	-1	0	314.297	3.791	20	50		DHGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)c1ccc2ccccc2n1	ZINC000774120284	978746532	/nfs/dbraw/zinc/74/65/32/978746532.db2.gz	TWYNPVYMMODWNG-WJDWOHSUSA-N	-1	0	300.317	3.997	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])cc1)c1nccc2ccccc21	ZINC000790228555	978799026	/nfs/dbraw/zinc/79/90/26/978799026.db2.gz	PFEPTIWFEWSNEW-WJDWOHSUSA-N	-1	0	300.317	3.997	20	50		DHGDRM
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595126702	979520624	/nfs/dbraw/zinc/52/06/24/979520624.db2.gz	YZGZJZDGRGMWQS-GFCCVEGCSA-N	-1	0	322.380	3.574	20	50		DHGDRM
C[C@H](Cc1ccc(NC(=O)C2CCC(Cl)CC2)cc1)C(=O)[O-]	ZINC001592857760	979665890	/nfs/dbraw/zinc/66/58/90/979665890.db2.gz	MCSPNYVHKCMATE-LMWSTFAQSA-N	-1	0	323.820	3.686	20	50		DHGDRM
C[C@@H](Cc1ccc(NC(=O)C2CCC(Cl)CC2)cc1)C(=O)[O-]	ZINC001592857761	979666211	/nfs/dbraw/zinc/66/62/11/979666211.db2.gz	MCSPNYVHKCMATE-XGNXJENSSA-N	-1	0	323.820	3.686	20	50		DHGDRM
CCCCC[C@H](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595667078	982110307	/nfs/dbraw/zinc/11/03/07/982110307.db2.gz	ZNQJPHHKYSXENZ-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CC[C@@H](C)CCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001594959481	982707110	/nfs/dbraw/zinc/70/71/10/982707110.db2.gz	VQXJVUSUNHHRPA-LLVKDONJSA-N	-1	0	323.345	3.805	20	50		DHGDRM
CCCc1ccc(C(=O)/C(C#N)=C\c2ccoc2C(=O)[O-])cc1	ZINC001596059251	983367716	/nfs/dbraw/zinc/36/77/16/983367716.db2.gz	YBBCBLPFEXPGKH-GDNBJRDFSA-N	-1	0	309.321	3.720	20	50		DHGDRM
CC/C(=C/C(=O)NNc1ccccc1C(=O)[O-])c1ccc(C)cc1	ZINC001594690610	987080844	/nfs/dbraw/zinc/08/08/44/987080844.db2.gz	DWWKGNRCHTUZLL-OWBHPGMISA-N	-1	0	324.380	3.630	20	50		DHGDRM
CC(C)(C)C1CC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC001589726749	987912704	/nfs/dbraw/zinc/91/27/04/987912704.db2.gz	ODWVJHYLBCEUJT-UHFFFAOYSA-N	-1	0	324.808	3.554	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1nc2cc(F)ccc2s1	ZINC000833064800	601331893	/nfs/dbraw/zinc/33/18/93/601331893.db2.gz	WGIZZMILZGXLRI-YVMONPNESA-N	-1	0	313.313	3.526	20	50		DHGDRM
CC(C)(C(=O)[O-])[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000833416435	604947419	/nfs/dbraw/zinc/94/74/19/604947419.db2.gz	ZXVIVKZEWZJNDR-BRYYZUPOSA-N	-1	0	316.376	3.513	20	50		DHGDRM
CC1(C)CCC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000833556976	605249113	/nfs/dbraw/zinc/24/91/13/605249113.db2.gz	BRQTUDDOWPLHQU-UHFFFAOYSA-N	-1	0	324.808	3.698	20	50		DHGDRM
N#C/C(=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(=O)C1CCC1	ZINC001338652944	961996220	/nfs/dbraw/zinc/99/62/20/961996220.db2.gz	GMEQOWDXOMBGBU-GDNBJRDFSA-N	-1	0	321.332	3.921	20	50		DHGDRM
CC(C)c1ccc(NNC(=O)CC2(CC(=O)[O-])CCCC2)cc1	ZINC001591967484	976563504	/nfs/dbraw/zinc/56/35/04/976563504.db2.gz	CCNMOHUJWUHKTM-UHFFFAOYSA-N	-1	0	318.417	3.678	20	50		DHGDRM
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)cc1C	ZINC000809160161	978854439	/nfs/dbraw/zinc/85/44/39/978854439.db2.gz	IKWPXRCUPBARKT-LICLKQGHSA-N	-1	0	305.333	3.792	20	50		DHGDRM
CCCCC[C@](C)(CC)C(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595666280	982098673	/nfs/dbraw/zinc/09/86/73/982098673.db2.gz	HNVRHXHRKQGTOP-KRWDZBQOSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CCCCC[C@H](CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595670472	982119339	/nfs/dbraw/zinc/11/93/39/982119339.db2.gz	QGPWPARJFQPHLO-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCc1ccc(C(=O)/C(C#N)=C/c2ccoc2C(=O)[O-])cc1	ZINC001596059254	983367704	/nfs/dbraw/zinc/36/77/04/983367704.db2.gz	YBBCBLPFEXPGKH-XNTDXEJSSA-N	-1	0	309.321	3.720	20	50		DHGDRM
CCc1oc(/C=C(/C#N)C(=O)c2sccc2C)cc1C(=O)[O-]	ZINC001597790709	989313396	/nfs/dbraw/zinc/31/33/96/989313396.db2.gz	CXKYTHKPBKMPFA-POHAHGRESA-N	-1	0	315.350	3.700	20	50		DHGDRM
N#C/C(=C/c1ccc(C(=O)[O-])[nH]1)c1nc(-c2ccccc2)cs1	ZINC000833064641	601445529	/nfs/dbraw/zinc/44/55/29/601445529.db2.gz	TWHDZNSIKKABKH-WQLSENKSSA-N	-1	0	321.361	3.901	20	50		DHGDRM
CC(C)(C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1)C1CCCC1	ZINC000833411331	605246543	/nfs/dbraw/zinc/24/65/43/605246543.db2.gz	CLCNYIHJDKTXNB-UHFFFAOYSA-N	-1	0	324.808	3.698	20	50		DHGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3cccc(C(=O)[O-])c3)nc21	ZINC000774129955	978746477	/nfs/dbraw/zinc/74/64/77/978746477.db2.gz	HXKLWOOSRIBLSM-ZROIWOOFSA-N	-1	0	303.321	3.634	20	50		DHGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1	ZINC000812247052	978869235	/nfs/dbraw/zinc/86/92/35/978869235.db2.gz	YNPZGVNRKPHGTQ-KPKJPENVSA-N	-1	0	318.254	3.863	20	50		DHGDRM
CCCCC[C@](C)(CC)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595667012	982109141	/nfs/dbraw/zinc/10/91/41/982109141.db2.gz	XFCYKBRDRZIEFG-KRWDZBQOSA-N	-1	0	306.406	3.825	20	50		DHGDRM
CCCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001595697574	982243573	/nfs/dbraw/zinc/24/35/73/982243573.db2.gz	MDJVEHABOQSNDE-LBPRGKRZSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CC[C@@H](C)CCCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001594959289	982705886	/nfs/dbraw/zinc/70/58/86/982705886.db2.gz	PYQSQLCZATXFQK-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CC(C)CCCCCC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591236774	992120203	/nfs/dbraw/zinc/12/02/03/992120203.db2.gz	OJPXXUNHDNVLQF-UHFFFAOYSA-N	-1	0	310.369	3.574	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)C(=O)c1cccc(Cl)c1	ZINC000011297277	956889757	/nfs/dbraw/zinc/88/97/57/956889757.db2.gz	JCCXHOQPASJOML-RIYZIHGNSA-N	-1	0	311.724	3.828	20	50		DHGDRM
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)[O-]	ZINC000011802597	956891695	/nfs/dbraw/zinc/89/16/95/956891695.db2.gz	PPBHZCTUTINROV-RIYZIHGNSA-N	-1	0	313.740	3.911	20	50		DHGDRM
N#C/C(=C/c1cccc(C(=O)[O-])c1)C(=O)c1ccc(Cl)s1	ZINC000126610484	958598835	/nfs/dbraw/zinc/59/88/35/958598835.db2.gz	FYVUVPBONYFKKE-XFFZJAGNSA-N	-1	0	317.753	3.890	20	50		DHGDRM
CC[C@@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595125751	979509989	/nfs/dbraw/zinc/50/99/89/979509989.db2.gz	HZTOQEVYQJDWIM-AWEZNQCLSA-N	-1	0	318.417	3.825	20	50		DHGDRM
CCCCCC(C)(C)C(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595662697	982079932	/nfs/dbraw/zinc/07/99/32/982079932.db2.gz	JAVNXKHMJLQJFC-UHFFFAOYSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CCc1oc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC001597791625	989324194	/nfs/dbraw/zinc/32/41/94/989324194.db2.gz	SJCXZFYTHNLXFZ-WQLSENKSSA-N	-1	0	309.321	3.639	20	50		DHGDRM
O=C([O-])c1cc(OC(=O)CCCC2CCCC2)ccc1[N+](=O)[O-]	ZINC000833097855	600974068	/nfs/dbraw/zinc/97/40/68/600974068.db2.gz	XCMKXHSHBWCIJD-UHFFFAOYSA-N	-1	0	321.329	3.559	20	50		DHGDRM
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833608597	605247810	/nfs/dbraw/zinc/24/78/10/605247810.db2.gz	NKUSWNNRAROHPQ-GHMZBOCLSA-N	-1	0	324.808	3.698	20	50		DHGDRM
CCOc1cc(/C=C(/C#N)C(=O)[O-])ccc1OCc1ccccc1	ZINC000011860355	956894866	/nfs/dbraw/zinc/89/48/66/956894866.db2.gz	TYWQAFSZIOAABD-YBEGLDIGSA-N	-1	0	323.348	3.656	20	50		DHGDRM
C[C@@H](CC(C)(C)C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001592439484	978091353	/nfs/dbraw/zinc/09/13/53/978091353.db2.gz	KQLPFTFQYXRHJW-VIFPVBQESA-N	-1	0	312.797	3.554	20	50		DHGDRM
O=C([O-])c1cc(OC(=O)CCC2CCCCC2)ccc1[N+](=O)[O-]	ZINC000739233455	978622515	/nfs/dbraw/zinc/62/25/15/978622515.db2.gz	CYDONLQJBQBOAB-UHFFFAOYSA-N	-1	0	321.329	3.559	20	50		DHGDRM
Cc1cc(/C=C(/C#N)C(=O)[O-])c(C)n1-c1ccc2c(c1)CCC2	ZINC000744834117	978678928	/nfs/dbraw/zinc/67/89/28/978678928.db2.gz	HJKZHMOMOUPFPR-MFOYZWKCSA-N	-1	0	306.365	3.574	20	50		DHGDRM
CCCCC[C@@](C)(CC)C(=O)NNc1ccccc1C(=O)[O-]	ZINC001595667013	982109262	/nfs/dbraw/zinc/10/92/62/982109262.db2.gz	XFCYKBRDRZIEFG-QGZVFWFLSA-N	-1	0	306.406	3.825	20	50		DHGDRM
CCCCC[C@@](C)(CC)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595667086	982110267	/nfs/dbraw/zinc/11/02/67/982110267.db2.gz	ZYPOKLORRVLOHX-QGZVFWFLSA-N	-1	0	306.406	3.825	20	50		DHGDRM
CCCCCC[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595697945	982247656	/nfs/dbraw/zinc/24/76/56/982247656.db2.gz	NWOFVCNQNWFSCE-LBPRGKRZSA-N	-1	0	324.396	3.964	20	50		DHGDRM
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])o1	ZINC001599966590	985917141	/nfs/dbraw/zinc/91/71/41/985917141.db2.gz	RUMJXKZSCDKUNO-FLIBITNWSA-N	-1	0	320.304	3.557	20	50		DHGDRM
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](C)C(C)(C)C	ZINC001589552483	987287094	/nfs/dbraw/zinc/28/70/94/987287094.db2.gz	GAMMPTKFHYWTGJ-ZJUUUORDSA-N	-1	0	323.345	3.517	20	50		DHGDRM
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000826730013	603811208	/nfs/dbraw/zinc/81/12/08/603811208.db2.gz	VGEGLTKFCKAMRC-XBUHWIKASA-N	-1	0	312.369	3.639	20	50		DHGDRM
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NNC(=O)[O-]	ZINC000738304834	978514655	/nfs/dbraw/zinc/51/46/55/978514655.db2.gz	HEVBNVONGBSMSI-UHFFFAOYSA-N	-1	0	319.748	3.620	20	50		DHGDRM
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)cc1C	ZINC000809160162	978854332	/nfs/dbraw/zinc/85/43/32/978854332.db2.gz	IKWPXRCUPBARKT-YVLHZVERSA-N	-1	0	305.333	3.792	20	50		DHGDRM
CCCCC[C@](C)(CC)C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595667085	982109971	/nfs/dbraw/zinc/10/99/71/982109971.db2.gz	ZYPOKLORRVLOHX-KRWDZBQOSA-N	-1	0	306.406	3.825	20	50		DHGDRM
C=CCC[C@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC001588776935	984154532	/nfs/dbraw/zinc/15/45/32/984154532.db2.gz	NUHCCCIAJKMEAK-HNNXBMFYSA-N	-1	0	324.380	3.578	20	50		DHGDRM
Cc1csc(/C(C#N)=C/c2cccc3c2N(C(=O)[O-])CC3)n1	ZINC000830655495	603809498	/nfs/dbraw/zinc/80/94/98/603809498.db2.gz	SDMMRMKZHXNLHR-NTUHNPAUSA-N	-1	0	311.366	3.556	20	50		DHGDRM
N#C/C(=C\c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1ccccc1	ZINC000831064120	603809581	/nfs/dbraw/zinc/80/95/81/603809581.db2.gz	CBYQKMCOKWRCDK-LFIBNONCSA-N	-1	0	318.332	3.517	20	50		DHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1ccsc1	ZINC000831065983	603810321	/nfs/dbraw/zinc/81/03/21/603810321.db2.gz	UKPAINDGQNGOIZ-ZSOIEALJSA-N	-1	0	324.361	3.578	20	50		DHGDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	ZINC000833416437	604947673	/nfs/dbraw/zinc/94/76/73/604947673.db2.gz	ZXVIVKZEWZJNDR-FSEGOYHTSA-N	-1	0	316.376	3.513	20	50		DHGDRM
CC1CCC(=CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000833604446	605247778	/nfs/dbraw/zinc/24/77/78/605247778.db2.gz	ZPRWOFCHMVALGH-UHFFFAOYSA-N	-1	0	322.792	3.618	20	50		DHGDRM
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)[O-])c2)c1C	ZINC000774119771	955325623	/nfs/dbraw/zinc/32/56/23/955325623.db2.gz	HREKRKNLPFBUPR-MHWRWJLKSA-N	-1	0	320.348	3.547	20	50		DHGDRM
CCOc1cc(/C=C(\C#N)C(=O)[O-])ccc1OCc1ccccc1	ZINC000007155550	956880185	/nfs/dbraw/zinc/88/01/85/956880185.db2.gz	TYWQAFSZIOAABD-MHWRWJLKSA-N	-1	0	323.348	3.656	20	50		DHGDRM
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)[O-])cc1	ZINC000200026503	959636195	/nfs/dbraw/zinc/63/61/95/959636195.db2.gz	MRECIVWSXZQSHO-ATVHPVEESA-N	-1	0	306.365	3.705	20	50		DHGDRM
Cc1c(Cl)cccc1NNC(=O)C1(C(=O)[O-])CCCCCC1	ZINC001574298114	960710357	/nfs/dbraw/zinc/71/03/57/960710357.db2.gz	YKOHQQGJJQHBEL-UHFFFAOYSA-N	-1	0	324.808	3.517	20	50		DHGDRM
CC(C)Oc1cc(Cl)c(/C=C(\C#N)C(=O)[O-])cc1Cl	ZINC001591755605	975820157	/nfs/dbraw/zinc/82/01/57/975820157.db2.gz	PICWPQDFXHEECZ-YCRREMRBSA-N	-1	0	300.141	3.772	20	50		DHGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	ZINC000765827757	978723970	/nfs/dbraw/zinc/72/39/70/978723970.db2.gz	YCBVSJRERYEXLO-NTEUORMPSA-N	-1	0	316.316	3.656	20	50		DHGDRM
CCCCC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1C)C(C)C	ZINC001595663415	982084082	/nfs/dbraw/zinc/08/40/82/982084082.db2.gz	VYFKNUUKOLVZHE-CQSZACIVSA-N	-1	0	320.433	3.989	20	50		DHGDRM
CCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595666856	982108128	/nfs/dbraw/zinc/10/81/28/982108128.db2.gz	VHYHNCPGKYXJGW-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
C=CCC1(C(=O)NNc2cccc(C(=O)[O-])c2C)CCCCC1	ZINC001588765324	984126092	/nfs/dbraw/zinc/12/60/92/984126092.db2.gz	XMZXNHRMZSNFPK-UHFFFAOYSA-N	-1	0	316.401	3.663	20	50		DHGDRM
CC[C@@H](C(=O)NNc1cccc(C(=O)[O-])c1)C1CCC(C)CC1	ZINC001594737529	987281410	/nfs/dbraw/zinc/28/14/10/987281410.db2.gz	XMQBSYQDMMOVKM-SEEARECTSA-N	-1	0	318.417	3.680	20	50		DHGDRM
CC(C)=CCC[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001590922262	990919428	/nfs/dbraw/zinc/91/94/28/990919428.db2.gz	WELOKPGGAPISRK-LBPRGKRZSA-N	-1	0	322.380	3.740	20	50		DHGDRM
N#C/C(=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000211152221	959678261	/nfs/dbraw/zinc/67/82/61/959678261.db2.gz	SYWLPMVLUPDBNV-XFSBKJJWSA-N	-1	0	309.165	3.716	20	50		DHGDRM
CCCN(N=C1CC[C@@H](CC(=O)[O-])[C@@H]1C)C(=O)OC(C)(C)C	ZINC000495589488	974261384	/nfs/dbraw/zinc/26/13/84/974261384.db2.gz	AKYKJHPGMLBMAF-RYUDHWBXSA-N	-1	0	312.410	3.510	20	50		DHGDRM
Cc1oc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1C(=O)[O-]	ZINC000738682253	978587874	/nfs/dbraw/zinc/58/78/74/978587874.db2.gz	PRUKXNXRHRJEFX-NTUHNPAUSA-N	-1	0	309.321	3.693	20	50		DHGDRM
Cc1cccc(COc2c(C)cc(C=NNC(=O)[O-])cc2C)c1	ZINC000738718213	978595898	/nfs/dbraw/zinc/59/58/98/978595898.db2.gz	ZBNKRMJIDOMRCO-UHFFFAOYSA-N	-1	0	312.369	3.792	20	50		DHGDRM
Cc1oc(C=C(C#N)c2nc3c(cccc3C)[nH]2)cc1C(=O)[O-]	ZINC000738969062	978611547	/nfs/dbraw/zinc/61/15/47/978611547.db2.gz	GZEGYJIZAQVIDV-IZZDOVSWSA-N	-1	0	307.309	3.535	20	50		DHGDRM
N#C/C(=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)[O-]	ZINC000742575203	978676658	/nfs/dbraw/zinc/67/66/58/978676658.db2.gz	CFOWKEPBVCCZDN-VZUCSPMQSA-N	-1	0	301.248	3.749	20	50		DHGDRM
N#C/C(=C\c1cccc(C(=O)[O-])c1)C(=O)c1ccc(Cl)s1	ZINC000774129299	978746361	/nfs/dbraw/zinc/74/63/61/978746361.db2.gz	FYVUVPBONYFKKE-YRNVUSSQSA-N	-1	0	317.753	3.890	20	50		DHGDRM
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(C(=O)[O-])c2)c1	ZINC000774126041	978746411	/nfs/dbraw/zinc/74/64/11/978746411.db2.gz	DBVYQIKFMOCUFO-YVLHZVERSA-N	-1	0	305.333	3.792	20	50		DHGDRM
N#C/C(=C\c1ccc(C(=O)[O-])cc1)c1nccc2ccccc21	ZINC000790228554	978798665	/nfs/dbraw/zinc/79/86/65/978798665.db2.gz	PFEPTIWFEWSNEW-LFIBNONCSA-N	-1	0	300.317	3.997	20	50		DHGDRM
CCCC[C@@H](CC)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595632769	981860114	/nfs/dbraw/zinc/86/01/14/981860114.db2.gz	QJKOTIFZTJQGPJ-LLVKDONJSA-N	-1	0	323.345	3.805	20	50		DHGDRM
CCCCC[C@](C)(CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595666310	982099866	/nfs/dbraw/zinc/09/98/66/982099866.db2.gz	IDYGPSLOLQUKKV-KRWDZBQOSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595669808	982115055	/nfs/dbraw/zinc/11/50/55/982115055.db2.gz	JVYMOPCEWIEVGB-CYBMUJFWSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)[O-])[nH]2)cc1	ZINC001590472816	990046640	/nfs/dbraw/zinc/04/66/40/990046640.db2.gz	YNEYVFNZJVXGNB-RAXLEYEMSA-N	-1	0	322.364	3.800	20	50		DHGDRM
N#C/C(=C/c1c[nH]c(C(=O)[O-])c1)c1nc2cc(F)ccc2s1	ZINC000833064845	601791002	/nfs/dbraw/zinc/79/10/02/601791002.db2.gz	XCLZXXAIDATPTP-OQFOIZHKSA-N	-1	0	313.313	3.526	20	50		DHGDRM
CC(C)(C)CC(=O)/C(C#N)=C/c1cccc2c1N(C(=O)[O-])CC2	ZINC000823759398	603808422	/nfs/dbraw/zinc/80/84/22/603808422.db2.gz	HRHAFSMRNUQVNR-NTEUORMPSA-N	-1	0	312.369	3.639	20	50		DHGDRM
O=C([O-])CCCCC(=O)NN(c1ccccc1)c1ccccc1	ZINC000808506663	955354728	/nfs/dbraw/zinc/35/47/28/955354728.db2.gz	OOPQSDNLDOYGRA-UHFFFAOYSA-N	-1	0	312.369	3.501	20	50		DHGDRM
CC(C)c1cccc(NC(=O)NNc2cccc(C(=O)[O-])c2)c1	ZINC001591992276	976624277	/nfs/dbraw/zinc/62/42/77/976624277.db2.gz	VJFMSQZPUABPQS-UHFFFAOYSA-N	-1	0	313.357	3.657	20	50		DHGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3cccc(C(=O)[O-])c3)nc21	ZINC000774129954	978746384	/nfs/dbraw/zinc/74/63/84/978746384.db2.gz	HXKLWOOSRIBLSM-NTEUORMPSA-N	-1	0	303.321	3.634	20	50		DHGDRM
CC(=NNC(=O)c1ccc(C)c(F)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814906675	978898014	/nfs/dbraw/zinc/89/80/14/978898014.db2.gz	DUOWDNGMYIPTJL-LLVKDONJSA-N	-1	0	322.380	3.521	20	50		DHGDRM
CCC(CC)(CC)CNC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595057929	979304878	/nfs/dbraw/zinc/30/48/78/979304878.db2.gz	UKBODQSVZWOSHW-UHFFFAOYSA-N	-1	0	321.421	3.536	20	50		DHGDRM
CCCC[C@H](CC)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595632770	981859808	/nfs/dbraw/zinc/85/98/08/981859808.db2.gz	QJKOTIFZTJQGPJ-NSHDSACASA-N	-1	0	323.345	3.805	20	50		DHGDRM
CCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595669809	982114952	/nfs/dbraw/zinc/11/49/52/982114952.db2.gz	JVYMOPCEWIEVGB-ZDUSSCGKSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CC[C@H](C)CCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001594959482	982707070	/nfs/dbraw/zinc/70/70/70/982707070.db2.gz	VQXJVUSUNHHRPA-NSHDSACASA-N	-1	0	323.345	3.805	20	50		DHGDRM
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)[O-])[nH]2)cc1	ZINC001590472814	990046784	/nfs/dbraw/zinc/04/67/84/990046784.db2.gz	YNEYVFNZJVXGNB-JLHYYAGUSA-N	-1	0	322.364	3.800	20	50		DHGDRM
CC(C)CC1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CCCC1	ZINC001591191943	992005186	/nfs/dbraw/zinc/00/51/86/992005186.db2.gz	JDDKVDNAYQIJBU-UHFFFAOYSA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1ccc(NNC(=O)[C@]2(C)CCC(C)=C(C)C2)cc1C(=O)[O-]	ZINC001594110325	998208589	/nfs/dbraw/zinc/20/85/89/998208589.db2.gz	UIAGTEMXXWAQDF-GOSISDBHSA-N	-1	0	316.401	3.663	20	50		DHGDRM
CC1(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCCCC1	ZINC000833552491	605247388	/nfs/dbraw/zinc/24/73/88/605247388.db2.gz	BORNAKWQESQQLP-UHFFFAOYSA-N	-1	0	324.808	3.842	20	50		DHGDRM
CC(C)(C)c1ccc(C(=O)NNc2ccccc2C(=O)[O-])s1	ZINC000833450562	605723234	/nfs/dbraw/zinc/72/32/34/605723234.db2.gz	VJEYHVKYEINDES-UHFFFAOYSA-N	-1	0	318.398	3.501	20	50		DHGDRM
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000006209821	956874719	/nfs/dbraw/zinc/87/47/19/956874719.db2.gz	TWCDSPRTCKYWQV-MHWRWJLKSA-N	-1	0	320.348	3.547	20	50		DHGDRM
C[C@H](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCCCC1	ZINC001592253541	977486976	/nfs/dbraw/zinc/48/69/76/977486976.db2.gz	ZGWSRBYYKYERQD-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1ccccc1COc1c(C)cc(C=NNC(=O)[O-])cc1C	ZINC000738773902	978601260	/nfs/dbraw/zinc/60/12/60/978601260.db2.gz	ZMKLPGBIZYDFDJ-UHFFFAOYSA-N	-1	0	312.369	3.792	20	50		DHGDRM
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)[O-])ccc1Cl	ZINC001595568021	981470733	/nfs/dbraw/zinc/47/07/33/981470733.db2.gz	XAZXYATWZRIGMC-AAIQCTMTSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CCCC[C@@H](CC)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595631962	981847407	/nfs/dbraw/zinc/84/74/07/981847407.db2.gz	MDZPPGUBJRHETJ-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCC[C@@H](C)CC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595666304	982099144	/nfs/dbraw/zinc/09/91/44/982099144.db2.gz	HZSNNGORTWVHCG-GFCCVEGCSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CCCCCC[C@H](C)C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595695059	982216491	/nfs/dbraw/zinc/21/64/91/982216491.db2.gz	OIBFCLBPPMSACY-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
Cc1c2cccc(C)c2oc1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001599982022	986177295	/nfs/dbraw/zinc/17/72/95/986177295.db2.gz	HXXZPIZPEYCUQH-UHFFFAOYSA-N	-1	0	324.336	3.505	20	50		DHGDRM
Cc1csc(/C(C#N)=C\c2cccc3c2N(C(=O)[O-])CC3)n1	ZINC000830655496	603809571	/nfs/dbraw/zinc/80/95/71/603809571.db2.gz	SDMMRMKZHXNLHR-QPEQYQDCSA-N	-1	0	311.366	3.556	20	50		DHGDRM
CN(Cc1ccc(C(=O)[O-])cc1)/C(=C\C#N)c1ccc(F)cc1	ZINC000833695849	605048340	/nfs/dbraw/zinc/04/83/40/605048340.db2.gz	ALPHJQVATJIFHO-YVLHZVERSA-N	-1	0	310.328	3.520	20	50		DHGDRM
CC(C)(C)CCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833429832	605245586	/nfs/dbraw/zinc/24/55/86/605245586.db2.gz	YFQXWDMDPLKQGZ-UHFFFAOYSA-N	-1	0	312.797	3.698	20	50		DHGDRM
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C1	ZINC000833612169	605247956	/nfs/dbraw/zinc/24/79/56/605247956.db2.gz	RYTKQCCWQGHQFQ-GHMZBOCLSA-N	-1	0	324.808	3.698	20	50		DHGDRM
CCCCCC[C@@](C)(CC)C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001589642364	949707293	/nfs/dbraw/zinc/70/72/93/949707293.db2.gz	PTXHHURTHZUGMP-QGZVFWFLSA-N	-1	0	321.421	3.610	20	50		DHGDRM
Cc1cc(/C(C#N)=C/c2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000126505242	958595534	/nfs/dbraw/zinc/59/55/34/958595534.db2.gz	PWZPNCPUZWDXLC-OQLLNIDSSA-N	-1	0	308.293	3.666	20	50		DHGDRM
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(=O)[O-])cc1	ZINC001594390537	958709378	/nfs/dbraw/zinc/70/93/78/958709378.db2.gz	UMDCGTNMZYLWTQ-UHFFFAOYSA-N	-1	0	312.369	3.574	20	50		DHGDRM
CC(=NNC(=O)[O-])c1sc(-c2ccc(Cl)cc2)nc1C	ZINC000736125640	978305109	/nfs/dbraw/zinc/30/51/09/978305109.db2.gz	JYLRTENBWREMRB-UHFFFAOYSA-N	-1	0	309.778	3.764	20	50		DHGDRM
Cc1cc(/C(C#N)=C\c2cccc(C(=O)[O-])c2)ccc1[N+](=O)[O-]	ZINC000774135432	978746489	/nfs/dbraw/zinc/74/64/89/978746489.db2.gz	PWZPNCPUZWDXLC-DHDCSXOGSA-N	-1	0	308.293	3.666	20	50		DHGDRM
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001595126703	979520784	/nfs/dbraw/zinc/52/07/84/979520784.db2.gz	YZGZJZDGRGMWQS-LBPRGKRZSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CCC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)[O-])c2)CCCCC1	ZINC001595369240	980836444	/nfs/dbraw/zinc/83/64/44/980836444.db2.gz	UIMUWLWDMGZULC-UHFFFAOYSA-N	-1	0	321.329	3.559	20	50		DHGDRM
CCCC[C@H](CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595632251	981851994	/nfs/dbraw/zinc/85/19/94/981851994.db2.gz	UOXQIHQIXFRLNV-JTQLQIEISA-N	-1	0	312.797	3.698	20	50		DHGDRM
CCCCC1CCC(C(=O)NNc2ccccc2C(=O)[O-])CC1	ZINC001595661746	982076880	/nfs/dbraw/zinc/07/68/80/982076880.db2.gz	XGQIDFSEELQPHF-UHFFFAOYSA-N	-1	0	318.417	3.825	20	50		DHGDRM
C/C(C#N)=C/CSc1ccc(Br)cc1C(=O)[O-]	ZINC001589323700	986148748	/nfs/dbraw/zinc/14/87/48/986148748.db2.gz	KOETZDOXKFXUFN-YWEYNIOJSA-N	-1	0	312.188	3.709	20	50		DHGDRM
CCc1oc(/C=C(\C#N)C(=O)c2ccccc2C)cc1C(=O)[O-]	ZINC001597791627	989324182	/nfs/dbraw/zinc/32/41/82/989324182.db2.gz	SJCXZFYTHNLXFZ-XYOKQWHBSA-N	-1	0	309.321	3.639	20	50		DHGDRM
CCc1oc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1C(=O)[O-]	ZINC001597791934	989328229	/nfs/dbraw/zinc/32/82/29/989328229.db2.gz	ZVAWJCNIKBOUPW-ZSOIEALJSA-N	-1	0	323.348	3.947	20	50		DHGDRM
CC(C)(CCCCCl)c1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1	ZINC001590664785	990364498	/nfs/dbraw/zinc/36/44/98/990364498.db2.gz	NRDMNEDGUWVQLT-UHFFFAOYSA-N	-1	0	322.792	3.720	20	50		DHGDRM
CC(C)CCCCCC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001591236366	992116750	/nfs/dbraw/zinc/11/67/50/992116750.db2.gz	FVSYAQPXLGSLDK-UHFFFAOYSA-N	-1	0	310.369	3.574	20	50		DHGDRM
N#C/C(=C/c1cccc2c1N(C(=O)[O-])CC2)C(=O)c1ccccc1	ZINC000831064121	603809406	/nfs/dbraw/zinc/80/94/06/603809406.db2.gz	CBYQKMCOKWRCDK-WJDWOHSUSA-N	-1	0	318.332	3.517	20	50		DHGDRM
CC(C)(C(=O)[O-])[C@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	ZINC000833416436	604947852	/nfs/dbraw/zinc/94/78/52/604947852.db2.gz	ZXVIVKZEWZJNDR-CIKBWMHTSA-N	-1	0	316.376	3.513	20	50		DHGDRM
CN(Cc1ccc(C(=O)[O-])cc1)/C(=C/C#N)c1ccc(F)cc1	ZINC000833695839	605048123	/nfs/dbraw/zinc/04/81/23/605048123.db2.gz	ALPHJQVATJIFHO-LICLKQGHSA-N	-1	0	310.328	3.520	20	50		DHGDRM
C[C@@H]1CC(C(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)C[C@@H](C)C1	ZINC000833595116	605246112	/nfs/dbraw/zinc/24/61/12/605246112.db2.gz	SOSCRGJCGGQBPV-UWVGGRQHSA-N	-1	0	324.808	3.554	20	50		DHGDRM
O=C([O-])Nc1ccc(NC(=O)NNc2ccccc2Cl)cc1	ZINC000834261626	605658271	/nfs/dbraw/zinc/65/82/71/605658271.db2.gz	HSYGWBJUENNNFK-UHFFFAOYSA-N	-1	0	320.736	3.579	20	50		DHGDRM
C[C@H](CC(=O)NNc1cccc(C(=O)[O-])c1F)C1CCCCC1	ZINC001592251404	977478941	/nfs/dbraw/zinc/47/89/41/977478941.db2.gz	BYGCWKLIFJBRJG-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(C)(C)C	ZINC000736563543	978343132	/nfs/dbraw/zinc/34/31/32/978343132.db2.gz	QPBXHRPJKBEKPR-JTQLQIEISA-N	-1	0	323.345	3.661	20	50		DHGDRM
O=C([O-])NN=C1CCCc2nc(-c3ccc(Cl)cc3)sc21	ZINC000738659113	978583313	/nfs/dbraw/zinc/58/33/13/978583313.db2.gz	RQIBYLDNCYXCSA-UHFFFAOYSA-N	-1	0	321.789	3.772	20	50		DHGDRM
N#C/C(=C/c1ccoc1C(=O)[O-])c1nc2cc(F)ccc2s1	ZINC000739062500	978615494	/nfs/dbraw/zinc/61/54/94/978615494.db2.gz	QXSJITTVAITDDA-UITAMQMPSA-N	-1	0	314.297	3.791	20	50		DHGDRM
CCCN(N=C(C)c1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C	ZINC000794993350	978831005	/nfs/dbraw/zinc/83/10/05/978831005.db2.gz	XIMWUEHWSOVVCH-UHFFFAOYSA-N	-1	0	320.389	3.756	20	50		DHGDRM
CCCCCC[C@H](C)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595694862	982214368	/nfs/dbraw/zinc/21/43/68/982214368.db2.gz	JGSXZAMUCBGIPX-NSHDSACASA-N	-1	0	310.369	3.574	20	50		DHGDRM
C=CCC[C@@H](C(=O)NNc1ccccc1C(=O)[O-])c1ccccc1	ZINC001588776936	984154515	/nfs/dbraw/zinc/15/45/15/984154515.db2.gz	NUHCCCIAJKMEAK-OAHLLOKOSA-N	-1	0	324.380	3.578	20	50		DHGDRM
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)[O-])s2)cc1	ZINC000833449248	605738413	/nfs/dbraw/zinc/73/84/13/605738413.db2.gz	QZBOFGDDAROILS-UHFFFAOYSA-N	-1	0	318.398	3.501	20	50		DHGDRM
N#C/C(=C\c1ccc(-c2ccc(C(=O)[O-])cc2)o1)C(=O)C1CCC1	ZINC001338652946	961997353	/nfs/dbraw/zinc/99/73/53/961997353.db2.gz	GMEQOWDXOMBGBU-XNTDXEJSSA-N	-1	0	321.332	3.921	20	50		DHGDRM
N#C/C(=C\c1c[nH]c(C(=O)[O-])c1)c1nc2cc(F)ccc2s1	ZINC000833064847	601790997	/nfs/dbraw/zinc/79/09/97/601790997.db2.gz	XCLZXXAIDATPTP-YCRREMRBSA-N	-1	0	313.313	3.526	20	50		DHGDRM
CC1(CC(=O)NNc2ccc(C(=O)[O-])c(Cl)c2)CCCCC1	ZINC000833563498	605247862	/nfs/dbraw/zinc/24/78/62/605247862.db2.gz	GPBFNVWDBRNZRG-UHFFFAOYSA-N	-1	0	324.808	3.842	20	50		DHGDRM
N#C/C(=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)[O-]	ZINC000167752453	959362248	/nfs/dbraw/zinc/36/22/48/959362248.db2.gz	SYWLPMVLUPDBNV-LREOWRDNSA-N	-1	0	309.165	3.716	20	50		DHGDRM
C[C@@H](CC(=O)NNc1cccc(F)c1C(=O)[O-])C1CCCCC1	ZINC001592252569	977481990	/nfs/dbraw/zinc/48/19/90/977481990.db2.gz	MWFBPAYVDWLURX-NSHDSACASA-N	-1	0	322.380	3.574	20	50		DHGDRM
CCCc1ccc(-c2ccc(NC(=O)NNC(=O)[O-])cc2)cc1	ZINC000737044848	978375035	/nfs/dbraw/zinc/37/50/35/978375035.db2.gz	IFQCMRHUKJVSEG-UHFFFAOYSA-N	-1	0	313.357	3.610	20	50		DHGDRM
CC(=NNC(=O)c1cccc(Cl)c1)[C@H](C)CCCCC(=O)[O-]	ZINC000814732481	978877816	/nfs/dbraw/zinc/87/78/16/978877816.db2.gz	NVOQTQUFOPFAJZ-LLVKDONJSA-N	-1	0	324.808	3.727	20	50		DHGDRM
Cc1oc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1C(=O)[O-]	ZINC000899344343	980227215	/nfs/dbraw/zinc/22/72/15/980227215.db2.gz	QIIJAWYGZCKMKX-ONNFQVAWSA-N	-1	0	302.355	3.930	20	50		DHGDRM
CCCCC[C@@H](C(=O)NNc1ccc(F)c(C(=O)[O-])c1)C(C)C	ZINC001595663346	982083196	/nfs/dbraw/zinc/08/31/96/982083196.db2.gz	VBYUJXDALKHIMF-CYBMUJFWSA-N	-1	0	324.396	3.820	20	50		DHGDRM
CCCN(N=Cc1cc(C(=O)[O-])c(CC)o1)C(=O)OC(C)(C)C	ZINC001595894763	982933131	/nfs/dbraw/zinc/93/31/31/982933131.db2.gz	VFTPUFMSODNUSF-UHFFFAOYSA-N	-1	0	324.377	3.521	20	50		DHGDRM
CC(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])cc1C(F)(F)F	ZINC001590928272	990941505	/nfs/dbraw/zinc/94/15/05/990941505.db2.gz	ZIQVLAIKHFBDLK-VZUCSPMQSA-N	-1	0	311.259	3.536	20	50		DHGDRM
CC1(C)CC(C(=O)NNc2cccc(C(=O)[O-])c2)CC(C)(C)C1	ZINC001593847947	996616807	/nfs/dbraw/zinc/61/68/07/996616807.db2.gz	BGYWQUMUHASLDR-UHFFFAOYSA-N	-1	0	318.417	3.680	20	50		DHGDRM
Cc1cccc2[nH]c(C(C#N)=Cc3ccc(C(=O)[O-])cc3)nc21	ZINC000735620385	978302036	/nfs/dbraw/zinc/30/20/36/978302036.db2.gz	YULZYGFKRBDVJX-NTEUORMPSA-N	-1	0	303.321	3.634	20	50		DHGDRM
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)[O-])c(Cl)c1	ZINC001594791627	981852973	/nfs/dbraw/zinc/85/29/73/981852973.db2.gz	OCFKKRMCDSSBPC-XFFZJAGNSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CCCCC[C@H](C)CC(=O)NNc1cccc(C(=O)[O-])c1C	ZINC001595666305	982099520	/nfs/dbraw/zinc/09/95/20/982099520.db2.gz	HZSNNGORTWVHCG-LBPRGKRZSA-N	-1	0	306.406	3.743	20	50		DHGDRM
CCCCCC[C@@H](CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595699172	982256483	/nfs/dbraw/zinc/25/64/83/982256483.db2.gz	XITSNNFSSMUYQR-GFCCVEGCSA-N	-1	0	324.396	3.964	20	50		DHGDRM
CCCCCCCC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595702403	982264060	/nfs/dbraw/zinc/26/40/60/982264060.db2.gz	IRMOBKWDXYZBPO-UHFFFAOYSA-N	-1	0	312.797	3.842	20	50		DHGDRM
CCCN(N=C(C)CC(C)(C)CC(=O)[O-])C(=O)OC(C)(C)C	ZINC001595894594	982930736	/nfs/dbraw/zinc/93/07/36/982930736.db2.gz	MTPVBGIQWMKVAT-UHFFFAOYSA-N	-1	0	314.426	3.900	20	50		DHGDRM
CC(C)CCCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001591237053	992121016	/nfs/dbraw/zinc/12/10/16/992121016.db2.gz	WOEQYNOWTQMXPA-UHFFFAOYSA-N	-1	0	323.345	3.805	20	50		DHGDRM
CC(C)(C)CC(=O)/C(C#N)=C\c1cccc2c1N(C(=O)[O-])CC2	ZINC000823759402	603808301	/nfs/dbraw/zinc/80/83/01/603808301.db2.gz	HRHAFSMRNUQVNR-ZROIWOOFSA-N	-1	0	312.369	3.639	20	50		DHGDRM
CCCN(N=C1CC[C@H](CC(=O)[O-])[C@H]1C)C(=O)OC(C)(C)C	ZINC000495589490	974261098	/nfs/dbraw/zinc/26/10/98/974261098.db2.gz	AKYKJHPGMLBMAF-VXGBXAGGSA-N	-1	0	312.410	3.510	20	50		DHGDRM
CC(=NNC(=O)[O-])c1c(F)cccc1O[C@H](C)c1ccccc1	ZINC000736121620	978303795	/nfs/dbraw/zinc/30/37/95/978303795.db2.gz	ONVJICQNEBPQMG-GFCCVEGCSA-N	-1	0	316.332	3.957	20	50		DHGDRM
CCC[C@](C)(CC)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595542254	981403483	/nfs/dbraw/zinc/40/34/83/981403483.db2.gz	SWYZVFAGJJFHAA-HNNXBMFYSA-N	-1	0	312.797	3.698	20	50		DHGDRM
CCCCC[C@@H](CC)C(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595670471	982119268	/nfs/dbraw/zinc/11/92/68/982119268.db2.gz	QGPWPARJFQPHLO-LLVKDONJSA-N	-1	0	310.369	3.574	20	50		DHGDRM
CCCCCC[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	ZINC001595694682	982213185	/nfs/dbraw/zinc/21/31/85/982213185.db2.gz	GUQCHRZAZLOMDE-LLVKDONJSA-N	-1	0	323.345	3.805	20	50		DHGDRM
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001599891231	984696960	/nfs/dbraw/zinc/69/69/60/984696960.db2.gz	NLDRXVSAMOKTIE-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)[C@H](C)C(C)(C)C	ZINC001589552480	987286614	/nfs/dbraw/zinc/28/66/14/987286614.db2.gz	GAMMPTKFHYWTGJ-UWVGGRQHSA-N	-1	0	323.345	3.517	20	50		DHGDRM
C[C@H]([C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)C(C)(C)C	ZINC001589552481	987287121	/nfs/dbraw/zinc/28/71/21/987287121.db2.gz	GAMMPTKFHYWTGJ-VHSXEESVSA-N	-1	0	323.345	3.517	20	50		DHGDRM
CC(C)CC1(C(=O)NNc2cccc(F)c2C(=O)[O-])CCCC1	ZINC001591192005	992006493	/nfs/dbraw/zinc/00/64/93/992006493.db2.gz	KFYWXVHQTWFUHF-UHFFFAOYSA-N	-1	0	322.380	3.574	20	50		DHGDRM
CC(C)CC(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833474261	605245694	/nfs/dbraw/zinc/24/56/94/605245694.db2.gz	OAXMGGLHMOLXQO-UHFFFAOYSA-N	-1	0	312.797	3.554	20	50		DHGDRM
C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)[O-])c1)CC(C)(C)C	ZINC000736563544	978342758	/nfs/dbraw/zinc/34/27/58/978342758.db2.gz	QPBXHRPJKBEKPR-SNVBAGLBSA-N	-1	0	323.345	3.661	20	50		DHGDRM
O=C([O-])c1cc(OC(=O)C2CCCCCCC2)ccc1[N+](=O)[O-]	ZINC000740086785	978666363	/nfs/dbraw/zinc/66/63/63/978666363.db2.gz	AJEQWJKEEBLTSR-UHFFFAOYSA-N	-1	0	321.329	3.559	20	50		DHGDRM
CC(=NNC(=O)c1cccc(Cl)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814732482	978877982	/nfs/dbraw/zinc/87/79/82/978877982.db2.gz	NVOQTQUFOPFAJZ-NSHDSACASA-N	-1	0	324.808	3.727	20	50		DHGDRM
CCc1ccc(C(=O)NN=C(C)[C@H](C)CCCCC(=O)[O-])cc1	ZINC000814744929	978879606	/nfs/dbraw/zinc/87/96/06/978879606.db2.gz	CWWLDXFTSFEHEQ-CYBMUJFWSA-N	-1	0	318.417	3.636	20	50		DHGDRM
CC(=NNC(=O)c1ccc(C)c(F)c1)[C@@H](C)CCCCC(=O)[O-]	ZINC000814906676	978898069	/nfs/dbraw/zinc/89/80/69/978898069.db2.gz	DUOWDNGMYIPTJL-NSHDSACASA-N	-1	0	322.380	3.521	20	50		DHGDRM
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])c(Cl)c1	ZINC001594791630	981852342	/nfs/dbraw/zinc/85/23/42/981852342.db2.gz	OCFKKRMCDSSBPC-YRNVUSSQSA-N	-1	0	305.761	3.950	20	50		DHGDRM
CC(C)(C)C(C)(C)C(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001589698635	987781807	/nfs/dbraw/zinc/78/18/07/987781807.db2.gz	FTNMCLUUADDTBU-UHFFFAOYSA-N	-1	0	312.797	3.554	20	50		DHGDRM
CC(C)Sc1cc(Br)ccc1C=NNC(=O)[O-]	ZINC000833507980	605578363	/nfs/dbraw/zinc/57/83/63/605578363.db2.gz	DNJARUOLTWKRRM-UHFFFAOYSA-N	-1	0	317.208	3.551	20	50		DHGDRM
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)[O-])cc2)c(C)c1	ZINC000212132035	959709362	/nfs/dbraw/zinc/70/93/62/959709362.db2.gz	TWCDSPRTCKYWQV-YBEGLDIGSA-N	-1	0	320.348	3.547	20	50		DHGDRM
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001599891225	984696997	/nfs/dbraw/zinc/69/69/97/984696997.db2.gz	MQZHMEIIWLTOHJ-LLVKDONJSA-N	-1	0	322.380	3.574	20	50		DHGDRM
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(C(=O)[O-])o1	ZINC001599966588	985917236	/nfs/dbraw/zinc/91/72/36/985917236.db2.gz	RUMJXKZSCDKUNO-DHZHZOJOSA-N	-1	0	320.304	3.557	20	50		DHGDRM
CC[C@H](C(=O)NNc1cccc(C(=O)[O-])c1)C1CCC(C)CC1	ZINC001594737530	987281694	/nfs/dbraw/zinc/28/16/94/987281694.db2.gz	XMQBSYQDMMOVKM-ZUEPYMLJSA-N	-1	0	318.417	3.680	20	50		DHGDRM
CC(C)C[C@H](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833473980	605245556	/nfs/dbraw/zinc/24/55/56/605245556.db2.gz	LFVROPMLSJVLQI-JTQLQIEISA-N	-1	0	312.797	3.554	20	50		DHGDRM