smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH]nc(C(=O)N2CCN(Cc3nc(=O)n(C)[n-]3)CC2)c1[O-]	ZINC001415823292	926206156	/nfs/dbraw/zinc/20/61/56/926206156.db2.gz	FUYDISZMWJTWCW-UHFFFAOYSA-N	-2	3	321.341	-1.196	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCN1CCC(O)CC1	ZINC000322333740	970874099	/nfs/dbraw/zinc/87/40/99/970874099.db2.gz	PGQBHAMYXCEFKW-UHFFFAOYSA-N	-2	3	318.355	-1.157	20	0		DAADHL
O=C(Cn1c(=O)[n-][nH]c1=O)NCc1ccnc(-c2nnn[n-]2)c1	ZINC001570921006	948612653	/nfs/dbraw/zinc/61/26/53/948612653.db2.gz	JXYXTLJULNOUDK-UHFFFAOYSA-N	-2	3	317.269	-1.419	20	0		DAADHL
CN1C(=O)C[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1=O	ZINC000116073114	958459100	/nfs/dbraw/zinc/45/91/00/958459100.db2.gz	VXSSXBOMEIODMY-YFKPBYRVSA-N	-2	3	302.268	-1.857	20	0		DAADHL
CN1C(=O)C[C@@H]([N-]S(=O)(=O)c2scnc2C(=O)[O-])C1=O	ZINC000134719835	958857781	/nfs/dbraw/zinc/85/77/81/958857781.db2.gz	PRAUWRVKEJYPCG-SCSAIBSYSA-N	-2	3	319.320	-1.123	20	0		DAADHL
Cn1cnnc1S(=O)(=O)[N-]C[C@@H](C(=O)[O-])[C@H]1CCOC1	ZINC001571086555	961075804	/nfs/dbraw/zinc/07/58/04/961075804.db2.gz	RXOQATRIOVJKQN-JGVFFNPUSA-N	-2	3	304.328	-1.169	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)[C@H]1CCCO1	ZINC001571088253	961094846	/nfs/dbraw/zinc/09/48/46/961094846.db2.gz	VXFXHBNIACVJAT-HTQZYQBOSA-N	-2	3	305.312	-1.074	20	0		DAADHL
CNC(=O)c1n[n-]nc1NC(=O)N1CC[C@](OC)(C(=O)[O-])C1	ZINC001571112122	961345793	/nfs/dbraw/zinc/34/57/93/961345793.db2.gz	JCULVUQCLMWYBW-LLVKDONJSA-N	-2	3	312.286	-1.128	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCN1C(=O)CCC1=O	ZINC000405375719	973856807	/nfs/dbraw/zinc/85/68/07/973856807.db2.gz	SZNJUFCYWHVQJY-UHFFFAOYSA-N	-2	3	316.295	-1.465	20	0		DAADHL
Cc1[nH]nc(S(=O)(=O)[N-]C[C@@H]2CNC(=O)C2)c1C(=O)[O-]	ZINC001574182130	983184057	/nfs/dbraw/zinc/18/40/57/983184057.db2.gz	JAGITMAGTWJXBN-LURJTMIESA-N	-2	3	302.312	-1.169	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCn1cnccc1=O	ZINC001574417245	983241311	/nfs/dbraw/zinc/24/13/11/983241311.db2.gz	GRGQEQCXLSKZIW-UHFFFAOYSA-N	-2	3	313.295	-1.357	20	0		DAADHL
CN1C(=O)C[C@H]([N-]S(=O)(=O)CC2(C(=O)[O-])CCC2)C1=O	ZINC001598549499	992984957	/nfs/dbraw/zinc/98/49/57/992984957.db2.gz	QVIZIPRQRYOLSZ-ZETCQYMHSA-N	-2	3	304.324	-1.082	20	0		DAADHL
CNC(=O)[C@H](CO)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598634603	994227977	/nfs/dbraw/zinc/22/79/77/994227977.db2.gz	PRERFANXJUVBAD-JTQLQIEISA-N	-2	3	316.335	-1.089	20	0		DAADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@@H](CO)C(=O)[O-])c(C)o1	ZINC001598673449	994798568	/nfs/dbraw/zinc/79/85/68/994798568.db2.gz	OAIXHJNVCSVAEE-ZETCQYMHSA-N	-2	3	306.296	-1.329	20	0		DAADHL
COC[C@H]([N-]S(=O)(=O)c1scnc1C(=O)[O-])C(N)=O	ZINC001599178265	996893752	/nfs/dbraw/zinc/89/37/52/996893752.db2.gz	MZSNMNRCMCDGQG-BYPYZUCNSA-N	-2	3	309.325	-1.380	20	0		DAADHL
CCn1cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])nc1C	ZINC000050265494	372787910	/nfs/dbraw/zinc/78/79/10/372787910.db2.gz	FVCCQSYNLCMFBH-UHFFFAOYSA-N	-2	3	304.328	-1.309	20	0		DAADHL
CCn1cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])nc1C	ZINC000050265459	372786918	/nfs/dbraw/zinc/78/69/18/372786918.db2.gz	SHGPCCLJBOWEIJ-ZETCQYMHSA-N	-2	3	304.328	-1.182	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c[nH]1	ZINC000089696112	372819929	/nfs/dbraw/zinc/81/99/29/372819929.db2.gz	GDWWTYWAXQENQD-UHFFFAOYSA-N	-2	3	300.300	-1.014	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])cn1C	ZINC000262705676	372872288	/nfs/dbraw/zinc/87/22/88/372872288.db2.gz	MPGKWXQONOXVET-UHFFFAOYSA-N	-2	3	304.328	-1.402	20	0		DAADHL
CS(=O)(=O)CCC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000038047351	373309278	/nfs/dbraw/zinc/30/92/78/373309278.db2.gz	CFMRLLNLMSQSDG-UHFFFAOYSA-N	-2	3	311.341	-1.179	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCN2C[C@H](C(=O)[O-])CC2=O)c[nH]1	ZINC000275064411	130289600	/nfs/dbraw/zinc/28/96/00/130289600.db2.gz	ZLMGQFAFLMDECW-MRVPVSSYSA-N	-2	3	316.339	-1.070	20	0		DAADHL
CCOc1ccncc1S(=O)(=O)[N-]CC(=O)NCC(=O)[O-]	ZINC000518196384	409334162	/nfs/dbraw/zinc/33/41/62/409334162.db2.gz	ZNUPRCBXLJEYAZ-UHFFFAOYSA-N	-2	3	317.323	-1.041	20	0		DAADHL
CN(CC(=O)[O-])[C@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1O	ZINC000417372751	409417246	/nfs/dbraw/zinc/41/72/46/409417246.db2.gz	ZRVVKCZRZKLUQF-GISOBZBCSA-N	-2	3	314.338	-1.069	20	0		DAADHL
CS(=O)(=O)NCC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000035797949	337349928	/nfs/dbraw/zinc/34/99/28/337349928.db2.gz	RNLHZDBRVSIBGI-UHFFFAOYSA-N	-2	3	312.325	-1.195	20	0		DAADHL
CCOC(=O)c1cn[n-]c1S(=O)(=O)N(CCO)CC(=O)[O-]	ZINC000548230425	341252875	/nfs/dbraw/zinc/25/28/75/341252875.db2.gz	XGJSCTUELQVDFW-UHFFFAOYSA-N	-2	3	321.311	-1.346	20	0		DAADHL
CCOC(=O)c1c[n-]nc1S(=O)(=O)N(CCO)CC(=O)[O-]	ZINC000548230425	341252876	/nfs/dbraw/zinc/25/28/76/341252876.db2.gz	XGJSCTUELQVDFW-UHFFFAOYSA-N	-2	3	321.311	-1.346	20	0		DAADHL
COc1nc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)n[n-]1	ZINC000158945275	524987193	/nfs/dbraw/zinc/98/71/93/524987193.db2.gz	ZGIXMOVRSULHDZ-UHFFFAOYSA-N	-2	3	316.299	-1.989	20	0		DAADHL
Nc1c(-c2nnn[n-]2)cnn1C(=O)CCn1cc[n-]c(=O)c1=O	ZINC000737775837	598530311	/nfs/dbraw/zinc/53/03/11/598530311.db2.gz	FTJOHSSIBOIAGA-UHFFFAOYSA-N	-2	3	317.269	-1.774	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n1	ZINC000828699746	603809083	/nfs/dbraw/zinc/80/90/83/603809083.db2.gz	KNDMUSVSZFCFKV-NTSWFWBYSA-N	-2	3	313.270	-1.428	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@H]2C[C@H](O)CN2C(=O)[O-])n[n-]1	ZINC000828699746	603809087	/nfs/dbraw/zinc/80/90/87/603809087.db2.gz	KNDMUSVSZFCFKV-NTSWFWBYSA-N	-2	3	313.270	-1.428	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n1	ZINC000828699747	603809593	/nfs/dbraw/zinc/80/95/93/603809593.db2.gz	KNDMUSVSZFCFKV-PHDIDXHHSA-N	-2	3	313.270	-1.428	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@H]2C[C@@H](O)CN2C(=O)[O-])n[n-]1	ZINC000828699747	603809595	/nfs/dbraw/zinc/80/95/95/603809595.db2.gz	KNDMUSVSZFCFKV-PHDIDXHHSA-N	-2	3	313.270	-1.428	20	0		DAADHL
O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cnn[n-]3)n2)CC1	ZINC000831810566	603956579	/nfs/dbraw/zinc/95/65/79/603956579.db2.gz	PXBOMXCAMBWSMX-UHFFFAOYSA-N	-2	3	307.274	-1.025	20	0		DAADHL
O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3c[n-]nn3)n2)CC1	ZINC000831810566	603956582	/nfs/dbraw/zinc/95/65/82/603956582.db2.gz	PXBOMXCAMBWSMX-UHFFFAOYSA-N	-2	3	307.274	-1.025	20	0		DAADHL
O=C([O-])N1CCN(c2n[nH]c(NC(=O)c3cn[n-]n3)n2)CC1	ZINC000831810566	603956586	/nfs/dbraw/zinc/95/65/86/603956586.db2.gz	PXBOMXCAMBWSMX-UHFFFAOYSA-N	-2	3	307.274	-1.025	20	0		DAADHL
Cc1nc[n-]c(=O)c1C(=O)NC1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001030821598	663226167	/nfs/dbraw/zinc/22/61/67/663226167.db2.gz	HOWPAQKWYNUDBE-UHFFFAOYSA-N	-2	3	305.298	-1.071	20	0		DAADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000776444689	663822189	/nfs/dbraw/zinc/82/21/89/663822189.db2.gz	NJYXWVABSBNFMM-ZCFIWIBFSA-N	-2	3	321.311	-1.381	20	0		DAADHL
O=C(N[C@@H]1CN(Cc2n[nH]c(=O)[n-]2)C[C@@H]1O)c1cnc[n-]c1=O	ZINC001083555054	677762826	/nfs/dbraw/zinc/76/28/26/677762826.db2.gz	KDBKROTWZDVMIT-SFYZADRCSA-N	-2	3	321.297	-2.019	20	0		DAADHL
Cc1[nH]nc(C(=O)N(C)C2CN(Cc3nc(=O)n(C)[n-]3)C2)c1[O-]	ZINC001042619790	678334064	/nfs/dbraw/zinc/33/40/64/678334064.db2.gz	MFSIJIRLXAJZQT-UHFFFAOYSA-N	-2	3	321.341	-1.198	20	0		DAADHL
CN(C(=O)c1cnc[n-]c1=O)C1CN(Cc2n[nH]c(=O)[n-]2)C1	ZINC001043030142	678361518	/nfs/dbraw/zinc/36/15/18/678361518.db2.gz	NPRJYSDBESKMGZ-UHFFFAOYSA-N	-2	3	305.298	-1.038	20	0		DAADHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)Cc1nn[n-]n1	ZINC001220104830	780179067	/nfs/dbraw/zinc/17/90/67/780179067.db2.gz	OFXJUIIAJSVCAZ-WDSKDSINSA-N	-2	3	300.275	-2.408	20	0		DAADHL
COC(=O)[C@H](CCC(=O)[O-])NC(=O)[C@@H](N)Cc1nnn[n-]1	ZINC001220104830	780179069	/nfs/dbraw/zinc/17/90/69/780179069.db2.gz	OFXJUIIAJSVCAZ-WDSKDSINSA-N	-2	3	300.275	-2.408	20	0		DAADHL
N=C(NC(=O)[C@@H](N)Cc1nn[n-]n1)SCCS(=O)(=O)[O-]	ZINC001220124747	780181781	/nfs/dbraw/zinc/18/17/81/780181781.db2.gz	JNQDQIMSFFUUPO-BYPYZUCNSA-N	-2	3	323.360	-2.259	20	0		DAADHL
N=C(NC(=O)[C@@H](N)Cc1nnn[n-]1)SCCS(=O)(=O)[O-]	ZINC001220124747	780181784	/nfs/dbraw/zinc/18/17/84/780181784.db2.gz	JNQDQIMSFFUUPO-BYPYZUCNSA-N	-2	3	323.360	-2.259	20	0		DAADHL
CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCCOP(=O)([O-])[O-]	ZINC001220221184	780191053	/nfs/dbraw/zinc/19/10/53/780191053.db2.gz	UIVBWOMOGAFTIR-CBAPKCEASA-N	-2	3	311.275	-1.299	20	0		DAADHL
O=C([O-])C[C@@H](C(=O)Oc1nc(=O)[n-]c(=O)[n-]1)[C@H](O)C(=O)[O-]	ZINC001227569920	780342338	/nfs/dbraw/zinc/34/23/38/780342338.db2.gz	HDOMNFKPHIQLFJ-FONMRSAGSA-N	-4	3	303.183	-2.275	20	0		DAADHL
O=C([O-])C[C@@H](C(=O)Oc1nc(=O)[n-]c(=O)[n-]1)[C@@H](O)C(=O)[O-]	ZINC001227569928	780342706	/nfs/dbraw/zinc/34/27/06/780342706.db2.gz	HDOMNFKPHIQLFJ-VVJJHMBFSA-N	-4	3	303.183	-2.275	20	0		DAADHL
NC(=O)c1cc([O-])cc(OC(=O)[C@H](O)COP(=O)([O-])[O-])c1	ZINC001228269847	780347084	/nfs/dbraw/zinc/34/70/84/780347084.db2.gz	DXNHPXVDRBKBAE-MRVPVSSYSA-N	-3	3	321.178	-1.133	20	0		DAADHL
COC(=O)CN1C[C@H](Oc2[n-]c(=O)nc3cn[n-]c32)CC1=O	ZINC001233939632	780401599	/nfs/dbraw/zinc/40/15/99/780401599.db2.gz	MFEQTENMFLEKJZ-ZCFIWIBFSA-N	-2	3	307.266	-1.201	20	0		DAADHL
O=C(Oc1[n-]c(=O)nc2cn[n-]c21)[C@H](O)COP(=O)([O-])[O-]	ZINC001233945590	780402046	/nfs/dbraw/zinc/40/20/46/780402046.db2.gz	ULLLSLLOEIDFAE-SCSAIBSYSA-N	-4	3	320.154	-1.978	20	0		DAADHL
CC(C)(C)c1nnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO)o1	ZINC001144893167	781402817	/nfs/dbraw/zinc/40/28/17/781402817.db2.gz	MJXBASTUIALJCY-LYFYHCNISA-N	-2	3	317.298	-2.050	20	0		DAADHL
CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2nnn[n-]2)c1	ZINC001176842707	781624240	/nfs/dbraw/zinc/62/42/40/781624240.db2.gz	PPXVPQPBRQOBEC-UHFFFAOYSA-N	-2	3	312.311	-1.005	20	0		DAADHL
CNS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2nn[n-]n2)c1	ZINC001176842707	781624245	/nfs/dbraw/zinc/62/42/45/781624245.db2.gz	PPXVPQPBRQOBEC-UHFFFAOYSA-N	-2	3	312.311	-1.005	20	0		DAADHL
CN(CC(=O)NCCCCP(=O)([O-])[O-])S(C)(=O)=O	ZINC001182882064	781715186	/nfs/dbraw/zinc/71/51/86/781715186.db2.gz	ANLGKHZHUVNLRZ-UHFFFAOYSA-N	-2	3	302.289	-1.048	20	0		DAADHL
O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nc(-c2nnn[n-]2)cs1	ZINC001570929886	948789066	/nfs/dbraw/zinc/78/90/66/948789066.db2.gz	AMFZDSUIZBQEID-UHFFFAOYSA-N	-2	3	323.298	-1.358	20	0		DAADHL
O=C(Cn1c(=O)[n-][nH]c1=O)NCc1nc(-c2nn[n-]n2)cs1	ZINC001570929886	948789082	/nfs/dbraw/zinc/78/90/82/948789082.db2.gz	AMFZDSUIZBQEID-UHFFFAOYSA-N	-2	3	323.298	-1.358	20	0		DAADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001575866501	949412526	/nfs/dbraw/zinc/41/25/26/949412526.db2.gz	UGENHYNRXLFCPT-SSDOTTSWSA-N	-2	3	318.301	-1.914	20	0		DAADHL
O=C([O-])CN1CCC[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1=O	ZINC001595082869	951703027	/nfs/dbraw/zinc/70/30/27/951703027.db2.gz	MBSLCGWFKCKPEZ-UWVGGRQHSA-N	-2	3	324.337	-1.062	20	0		DAADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@@]1(C(=O)[O-])CCOC1	ZINC001593708925	954168952	/nfs/dbraw/zinc/16/89/52/954168952.db2.gz	BMHZIOICZZKESY-DCXZOGHSSA-N	-2	3	315.373	-1.361	20	0		DAADHL
O=C([O-])[C@@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO	ZINC001594897333	954580234	/nfs/dbraw/zinc/58/02/34/954580234.db2.gz	ZDRAVSLXKNZWRN-PRJMDXOYSA-N	-2	3	314.260	-1.064	20	0		DAADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589256267	956992899	/nfs/dbraw/zinc/99/28/99/956992899.db2.gz	ANJLAHHONFDADG-NXEZZACHSA-N	-2	3	324.337	-1.062	20	0		DAADHL
CN1CCN(C)[C@H](C[N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])C1	ZINC000068803929	957648189	/nfs/dbraw/zinc/64/81/89/957648189.db2.gz	DMSDBQYAXYTVSC-MRVPVSSYSA-N	-2	3	317.371	-1.368	20	0		DAADHL
CC(C)(C)[C@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCC(=O)[O-]	ZINC001588639808	959677689	/nfs/dbraw/zinc/67/76/89/959677689.db2.gz	QDITZWGEZUROSD-SECBINFHSA-N	-2	3	324.355	-1.306	20	0		DAADHL
Cc1nn2cccnc2c1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC001571069596	960875261	/nfs/dbraw/zinc/87/52/61/960875261.db2.gz	NYMPNAYZHTVUHY-SSDOTTSWSA-N	-2	3	300.296	-1.238	20	0		DAADHL
Cc1[nH]nc(S(=O)(=O)[N-][C@H]2CC(=O)N(C)C2)c1C(=O)[O-]	ZINC001571076964	960962684	/nfs/dbraw/zinc/96/26/84/960962684.db2.gz	OSRBBIYCMMENHF-LURJTMIESA-N	-2	3	302.312	-1.075	20	0		DAADHL
Cn1cnnc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])[C@@H]1CCOC1	ZINC001571086556	961075203	/nfs/dbraw/zinc/07/52/03/961075203.db2.gz	RXOQATRIOVJKQN-SFYZADRCSA-N	-2	3	304.328	-1.169	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)[C@@H]1CCCO1	ZINC001571088263	961094615	/nfs/dbraw/zinc/09/46/15/961094615.db2.gz	VXFXHBNIACVJAT-YUMQZZPRSA-N	-2	3	305.312	-1.074	20	0		DAADHL
CC(C)(CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)[O-]	ZINC001571126578	961507164	/nfs/dbraw/zinc/50/71/64/961507164.db2.gz	SNSKBPLMDPPNNU-RNFRBKRXSA-N	-2	3	315.369	-1.826	20	0		DAADHL
Cc1[nH]nc(S(=O)(=O)[N-]C[C@H]2CNC(=O)C2)c1C(=O)[O-]	ZINC001574182131	983184104	/nfs/dbraw/zinc/18/41/04/983184104.db2.gz	JAGITMAGTWJXBN-ZCFIWIBFSA-N	-2	3	302.312	-1.169	20	0		DAADHL
CCO[N-]C(=O)CNC(=O)N1CCN(C)C[C@H](C(=O)[O-])C1	ZINC001596968398	986182795	/nfs/dbraw/zinc/18/27/95/986182795.db2.gz	LFXUQDLZLJTJDC-VIFPVBQESA-N	-2	3	302.331	-1.288	20	0		DAADHL
CNC(=O)[C@@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001598633263	994205090	/nfs/dbraw/zinc/20/50/90/994205090.db2.gz	YGGAGOABWKARBZ-BYPYZUCNSA-N	-2	3	309.325	-1.774	20	0		DAADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC001598694024	995108186	/nfs/dbraw/zinc/10/81/86/995108186.db2.gz	HWKOJPWHYIZGPG-SECBINFHSA-N	-2	3	324.355	-1.052	20	0		DAADHL
COC(=O)CN(C)CC[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001598859861	996665796	/nfs/dbraw/zinc/66/57/96/996665796.db2.gz	YDTXLOPZSWODOQ-UHFFFAOYSA-N	-2	3	320.327	-1.509	20	0		DAADHL
COC[C@](C)([N-]S(=O)(=O)N=[S@@](C)(=O)N(C)C)C(=O)[O-]	ZINC001599155349	998363455	/nfs/dbraw/zinc/36/34/55/998363455.db2.gz	QRCGIEOXSDKZON-DCXZOGHSSA-N	-2	3	317.389	-1.115	20	0		DAADHL
C[C@H](CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000583993850	372777370	/nfs/dbraw/zinc/77/73/70/372777370.db2.gz	ASYMAYJWTDIQLM-MRVPVSSYSA-N	-2	3	318.355	-1.123	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@H](C)C(=O)[O-])cn1C	ZINC000262721381	372874767	/nfs/dbraw/zinc/87/47/67/372874767.db2.gz	VTHVRRPBYMUDAN-SSDOTTSWSA-N	-2	3	318.355	-1.014	20	0		DAADHL
Cn1cc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])nc1Cl	ZINC000269306640	373169267	/nfs/dbraw/zinc/16/92/67/373169267.db2.gz	UCBDUUMOUYQPAX-UHFFFAOYSA-N	-2	3	310.719	-1.447	20	0		DAADHL
O=C([O-])CNC(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC000263062535	373132771	/nfs/dbraw/zinc/13/27/71/373132771.db2.gz	HWBCTKPAWDGEMD-UHFFFAOYSA-N	-2	3	306.072	-1.088	20	0		DAADHL
C[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)[N-]OCC(N)=O	ZINC000271402586	373176468	/nfs/dbraw/zinc/17/64/68/373176468.db2.gz	MWKDTLLBZQUSOK-LURJTMIESA-N	-2	3	307.353	-1.052	20	0		DAADHL
CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000647257334	409340269	/nfs/dbraw/zinc/34/02/69/409340269.db2.gz	ZVEPDSNSBUVWBW-ZETCQYMHSA-N	-2	3	304.328	-1.322	20	0		DAADHL
CC[C@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)c(C)n1)C(=O)[O-]	ZINC000647256560	409340324	/nfs/dbraw/zinc/34/03/24/409340324.db2.gz	WRIHJTUOTJXXJP-QMMMGPOBSA-N	-2	3	318.355	-1.014	20	0		DAADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nnn[n-]3)CC2)cn1	ZINC000357054631	409489385	/nfs/dbraw/zinc/48/93/85/409489385.db2.gz	UNTDKRATOGMVBB-UHFFFAOYSA-N	-2	3	323.338	-1.078	20	0		DAADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC2(c3nn[n-]n3)CC2)cn1	ZINC000357054631	409489389	/nfs/dbraw/zinc/48/93/89/409489389.db2.gz	UNTDKRATOGMVBB-UHFFFAOYSA-N	-2	3	323.338	-1.078	20	0		DAADHL
CC(=O)NCCN(C(=O)CN1CC(=O)[N-]C1=O)[C@@H](C)C(=O)[O-]	ZINC000262257993	263217944	/nfs/dbraw/zinc/21/79/44/263217944.db2.gz	RSZLXYSFNVPJLP-ZETCQYMHSA-N	-2	3	314.298	-2.024	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NCCCC(=O)[O-])cn1C	ZINC000428093782	263292160	/nfs/dbraw/zinc/29/21/60/263292160.db2.gz	FBRVXJBQWIDONZ-UHFFFAOYSA-N	-2	3	318.355	-1.012	20	0		DAADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NCc2n[nH]c(=O)[n-]2)cn1	ZINC000354044460	263317178	/nfs/dbraw/zinc/31/71/78/263317178.db2.gz	RRJZUDNDIWDMSG-UHFFFAOYSA-N	-2	3	312.311	-1.257	20	0		DAADHL
NC(=O)C[C@@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000366639064	303257008	/nfs/dbraw/zinc/25/70/08/303257008.db2.gz	GLGDVIFRSPXUIV-SSDOTTSWSA-N	-2	3	316.339	-1.174	20	0		DAADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](CO)C(=O)[O-]	ZINC000548532330	341265813	/nfs/dbraw/zinc/26/58/13/341265813.db2.gz	QFXLYQBDAZGPPJ-SSDOTTSWSA-N	-2	3	323.348	-1.186	20	0		DAADHL
COC(=O)C[N-]C(=O)C(F)(F)C(F)(F)C(=O)[N-]CC(=O)[O-]	ZINC000831176089	600846995	/nfs/dbraw/zinc/84/69/95/600846995.db2.gz	USYWYCRNKPBMKY-UHFFFAOYSA-N	-3	3	318.179	-1.253	20	0		DAADHL
COc1cc(-c2nnn[n-]2)ccc1OCC(=O)[N-]OCC(N)=O	ZINC000826175047	608280319	/nfs/dbraw/zinc/28/03/19/608280319.db2.gz	RIKSVUVMTPMXAK-UHFFFAOYSA-N	-2	3	322.281	-1.213	20	0		DAADHL
COc1cc(-c2nn[n-]n2)ccc1OCC(=O)[N-]OCC(N)=O	ZINC000826175047	608280321	/nfs/dbraw/zinc/28/03/21/608280321.db2.gz	RIKSVUVMTPMXAK-UHFFFAOYSA-N	-2	3	322.281	-1.213	20	0		DAADHL
COC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@H](C(=O)[O-])[C@@H](C)O	ZINC000912558509	663153593	/nfs/dbraw/zinc/15/35/93/663153593.db2.gz	OQOLIGMMOGAJND-VDTYLAMSSA-N	-2	3	321.311	-1.383	20	0		DAADHL
NC(=O)CO[N-]C(=O)Cn1cc(Br)c(=O)[n-]c1=O	ZINC001116459623	782660984	/nfs/dbraw/zinc/66/09/84/782660984.db2.gz	JNBGSXDIZOKROG-UHFFFAOYSA-N	-2	3	321.087	-1.756	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)NCCNCc1n[nH]c(=O)[n-]1	ZINC001135390290	776754211	/nfs/dbraw/zinc/75/42/11/776754211.db2.gz	HZSAXHZQBYPOPX-UHFFFAOYSA-N	-2	3	323.313	-2.344	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@@H]1c1nnn[n-]1	ZINC001302136905	778096260	/nfs/dbraw/zinc/09/62/60/778096260.db2.gz	HDSIXHQWMOTZFS-MRVPVSSYSA-N	-2	3	321.297	-1.960	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001302136905	778096271	/nfs/dbraw/zinc/09/62/71/778096271.db2.gz	HDSIXHQWMOTZFS-MRVPVSSYSA-N	-2	3	321.297	-1.960	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@H]1c1nnn[n-]1	ZINC001302136910	778097019	/nfs/dbraw/zinc/09/70/19/778097019.db2.gz	HDSIXHQWMOTZFS-QMMMGPOBSA-N	-2	3	321.297	-1.960	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001302136910	778097028	/nfs/dbraw/zinc/09/70/28/778097028.db2.gz	HDSIXHQWMOTZFS-QMMMGPOBSA-N	-2	3	321.297	-1.960	20	0		DAADHL
CC(=O)[N-]S(=O)(=O)c1ccc(-n2[n-]c(=O)nc2CN)nc1	ZINC001157941181	779763066	/nfs/dbraw/zinc/76/30/66/779763066.db2.gz	VHGHNJZQGOFDLJ-UHFFFAOYSA-N	-2	3	312.311	-1.349	20	0		DAADHL
O=C(NCCCNCc1n[nH]c(=O)[n-]1)c1n[nH]c(=O)[n-]c1=O	ZINC001161863685	779846837	/nfs/dbraw/zinc/84/68/37/779846837.db2.gz	NSOZZUQRHAGCQI-UHFFFAOYSA-N	-2	3	310.274	-1.984	20	0		DAADHL
Cc1c(=O)[n-]cnc1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226075569	780331044	/nfs/dbraw/zinc/33/10/44/780331044.db2.gz	IALJKVMZALRBCA-CAHLUQPWSA-N	-3	3	300.223	-1.068	20	0		DAADHL
Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[n-]1	ZINC001226511518	780333525	/nfs/dbraw/zinc/33/35/25/780333525.db2.gz	FJUNJRIZSMDAOS-SSDLBLMSSA-N	-3	3	300.223	-1.068	20	0		DAADHL
O=C([O-])C[C@H](C(=O)Oc1nc(=O)[n-]c(=O)[n-]1)[C@H](O)C(=O)[O-]	ZINC001227569924	780342865	/nfs/dbraw/zinc/34/28/65/780342865.db2.gz	HDOMNFKPHIQLFJ-OKKQSCSOSA-N	-4	3	303.183	-2.275	20	0		DAADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H]2CO[N-]C2=O)s1	ZINC001260708792	780534210	/nfs/dbraw/zinc/53/42/10/780534210.db2.gz	AERBJRNMOKOCOK-RXMQYKEDSA-N	-2	3	306.325	-1.190	20	0		DAADHL
O=C(Nc1ccc(Cl)nn1)C([O-])=C([O-])[C@@H](O)[C@H](O)CO	ZINC001144891765	781388390	/nfs/dbraw/zinc/38/83/90/781388390.db2.gz	BISZGBAEQNRJPU-BTZDVCGTSA-N	-2	3	305.674	-2.287	20	0		DAADHL
O=C(Nc1ccc(Cl)nn1)C([O-])=C([O-])[C@@H](O)[C@@H](O)CO	ZINC001144891768	781388464	/nfs/dbraw/zinc/38/84/64/781388464.db2.gz	BISZGBAEQNRJPU-ZQASAOEGSA-N	-2	3	305.674	-2.287	20	0		DAADHL
O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185621630	781763515	/nfs/dbraw/zinc/76/35/15/781763515.db2.gz	BEWYJIRLGZQAHY-MRVPVSSYSA-N	-2	3	310.295	-1.425	20	0		DAADHL
O=C1[N-]OC[C@H]1NS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185621630	781763518	/nfs/dbraw/zinc/76/35/18/781763518.db2.gz	BEWYJIRLGZQAHY-MRVPVSSYSA-N	-2	3	310.295	-1.425	20	0		DAADHL
O=C([O-])CN1CCC[C@H](C(=O)NCCCc2c[n-][nH]c2=O)C1=O	ZINC001595082865	951703325	/nfs/dbraw/zinc/70/33/25/951703325.db2.gz	MBSLCGWFKCKPEZ-NXEZZACHSA-N	-2	3	324.337	-1.062	20	0		DAADHL
O=C([O-])CN1CCC[C@@H](C(=O)NCCCc2c[n-][nH]c2=O)C1=O	ZINC001595082872	951703458	/nfs/dbraw/zinc/70/34/58/951703458.db2.gz	MBSLCGWFKCKPEZ-ZJUUUORDSA-N	-2	3	324.337	-1.062	20	0		DAADHL
O=C([O-])[C@H]1[C@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO	ZINC001594897330	954580040	/nfs/dbraw/zinc/58/00/40/954580040.db2.gz	ZDRAVSLXKNZWRN-BWZBUEFSSA-N	-2	3	314.260	-1.064	20	0		DAADHL
O=C([O-])[C@@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO	ZINC001594897331	954580313	/nfs/dbraw/zinc/58/03/13/954580313.db2.gz	ZDRAVSLXKNZWRN-CSMHCCOUSA-N	-2	3	314.260	-1.064	20	0		DAADHL
O=C([O-])[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C[C@@H](O)CO	ZINC001594897332	954580499	/nfs/dbraw/zinc/58/04/99/954580499.db2.gz	ZDRAVSLXKNZWRN-GJMOJQLCSA-N	-2	3	314.260	-1.064	20	0		DAADHL
COCC[C@H]([N-]S(=O)(=O)N1CCC[C@H]1C(=O)[O-])C(=O)OC	ZINC001593990319	956833892	/nfs/dbraw/zinc/83/38/92/956833892.db2.gz	BSOKJSKWXXUKNL-IUCAKERBSA-N	-2	3	324.355	-1.052	20	0		DAADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)[C@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589256269	956993296	/nfs/dbraw/zinc/99/32/96/956993296.db2.gz	ANJLAHHONFDADG-VHSXEESVSA-N	-2	3	324.337	-1.062	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CCCS1(=O)=O	ZINC000133939327	958827117	/nfs/dbraw/zinc/82/71/17/958827117.db2.gz	WZQFARVNOLUVFQ-ZCFIWIBFSA-N	-2	3	323.352	-1.037	20	0		DAADHL
C[C@H]1OCC[C@]1(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000227116071	959921400	/nfs/dbraw/zinc/92/14/00/959921400.db2.gz	LEUYJQVZQWOJKV-LDWIPMOCSA-N	-2	3	305.312	-1.074	20	0		DAADHL
C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000227116055	959921680	/nfs/dbraw/zinc/92/16/80/959921680.db2.gz	LEUYJQVZQWOJKV-LHLIQPBNSA-N	-2	3	305.312	-1.074	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H](O)[C@H]1CCCO1	ZINC001571088259	961094043	/nfs/dbraw/zinc/09/40/43/961094043.db2.gz	VXFXHBNIACVJAT-JGVFFNPUSA-N	-2	3	305.312	-1.074	20	0		DAADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC001598283087	991170292	/nfs/dbraw/zinc/17/02/92/991170292.db2.gz	DETNOYQTSCHVFL-QGZVFWFLSA-N	-2	3	303.362	-1.504	20	0		DAADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	ZINC001598284012	991178539	/nfs/dbraw/zinc/17/85/39/991178539.db2.gz	VNHSDSAZOBUWJB-HQRLLJBISA-N	-2	3	303.362	-1.769	20	0		DAADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)CC(=O)[O-]	ZINC001598284011	991178667	/nfs/dbraw/zinc/17/86/67/991178667.db2.gz	VNHSDSAZOBUWJB-DDNLTXGXSA-N	-2	3	303.362	-1.769	20	0		DAADHL
CN1C(=O)C[C@@H]([N-]S(=O)(=O)CC2(CC(=O)[O-])CC2)C1=O	ZINC001598547997	992969072	/nfs/dbraw/zinc/96/90/72/992969072.db2.gz	IBFLLNGDGXDHFI-SSDOTTSWSA-N	-2	3	304.324	-1.082	20	0		DAADHL
CNC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C)c(C(=O)[O-])o1	ZINC001598633923	994215802	/nfs/dbraw/zinc/21/58/02/994215802.db2.gz	GOZRJSXJYZCQEC-LURJTMIESA-N	-2	3	306.296	-1.329	20	0		DAADHL
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC001598634879	994232240	/nfs/dbraw/zinc/23/22/40/994232240.db2.gz	YUILTDHRXVHAMD-SCSAIBSYSA-N	-2	3	309.325	-1.774	20	0		DAADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)N1C[C@H](C)O[C@@H](C)C1	ZINC001598694107	995109176	/nfs/dbraw/zinc/10/91/76/995109176.db2.gz	IUWANTDWDODFJH-CIUDSAMLSA-N	-2	3	324.355	-1.054	20	0		DAADHL
COCC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001599219675	997644417	/nfs/dbraw/zinc/64/44/17/997644417.db2.gz	WVEXLBGICPTGBQ-SSDOTTSWSA-N	-2	3	321.311	-1.036	20	0		DAADHL
COC(=O)c1cc(S(=O)(=O)[N-]CCN(C)CC(=O)[O-])on1	ZINC001598955112	998224337	/nfs/dbraw/zinc/22/43/37/998224337.db2.gz	ZUZCSCPEZDONOW-UHFFFAOYSA-N	-2	3	321.311	-1.244	20	0		DAADHL
COC[C@](C)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-]	ZINC001599155340	998362964	/nfs/dbraw/zinc/36/29/64/998362964.db2.gz	QRCGIEOXSDKZON-ASCAZGACSA-N	-2	3	317.389	-1.115	20	0		DAADHL
O=C(C[N-]S(=O)(=O)c1cccs1)NCc1nnn[n-]1	ZINC000599377367	373040802	/nfs/dbraw/zinc/04/08/02/373040802.db2.gz	PXFCVKHAWGBXLD-UHFFFAOYSA-N	-2	3	302.341	-1.144	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@H]2C(=O)[O-])c1	ZINC000262075729	373089654	/nfs/dbraw/zinc/08/96/54/373089654.db2.gz	DFIOJNBMIXWPSI-QMMMGPOBSA-N	-2	3	316.339	-1.226	20	0		DAADHL
Cn1cc(S(=O)(=O)[N-][C@@H](CC(N)=O)C(=O)[O-])nc1Cl	ZINC000274929289	373179311	/nfs/dbraw/zinc/17/93/11/373179311.db2.gz	OOOUXVQFTIVZDQ-BYPYZUCNSA-N	-2	3	310.719	-1.320	20	0		DAADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-]	ZINC000583883728	373310423	/nfs/dbraw/zinc/31/04/23/373310423.db2.gz	ZXSMUGFCWYVAFM-SSDOTTSWSA-N	-2	3	323.348	-1.186	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]Cc2cn(CC(=O)[O-])nn2)cn1C	ZINC000167256663	373553795	/nfs/dbraw/zinc/55/37/95/373553795.db2.gz	KQUPILPGVQVURU-UHFFFAOYSA-N	-2	3	314.327	-1.117	20	0		DAADHL
COCCCO[N-]C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000287800426	131300611	/nfs/dbraw/zinc/30/06/11/131300611.db2.gz	LQMFDQPHRPXBOC-UHFFFAOYSA-N	-2	3	306.344	-1.217	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)CC(=O)[O-])cn1C	ZINC000427717873	409343196	/nfs/dbraw/zinc/34/31/96/409343196.db2.gz	JTZJOVCYZGTIGX-ZETCQYMHSA-N	-2	3	318.355	-1.014	20	0		DAADHL
C[C@H](CC(=O)[O-])NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000427762938	409343357	/nfs/dbraw/zinc/34/33/57/409343357.db2.gz	QSMPEOMVJREXLZ-SSDOTTSWSA-N	-2	3	304.328	-1.322	20	0		DAADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000739808916	599736949	/nfs/dbraw/zinc/73/69/49/599736949.db2.gz	LKHOQJREZWKWCJ-UHFFFAOYSA-N	-3	3	306.252	-1.543	20	0		DAADHL
O=C([O-])CNC(=O)COC(=O)c1ccc2c(c1)C(=O)[N-]C2=O	ZINC000739813034	600368132	/nfs/dbraw/zinc/36/81/32/600368132.db2.gz	JRSVSEHOBYHKGR-UHFFFAOYSA-N	-2	3	306.230	-1.072	20	0		DAADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)N(C)C1CCOCC1	ZINC000737572620	600578275	/nfs/dbraw/zinc/57/82/75/600578275.db2.gz	DKUJOLMWDOOTIV-VIFPVBQESA-N	-2	3	324.355	-1.052	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n1	ZINC000828699749	603809301	/nfs/dbraw/zinc/80/93/01/603809301.db2.gz	KNDMUSVSZFCFKV-WDSKDSINSA-N	-2	3	313.270	-1.428	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@H](O)CN2C(=O)[O-])n[n-]1	ZINC000828699749	603809306	/nfs/dbraw/zinc/80/93/06/603809306.db2.gz	KNDMUSVSZFCFKV-WDSKDSINSA-N	-2	3	313.270	-1.428	20	0		DAADHL
Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)N[C@H](CO)C(=O)[O-]	ZINC000833022561	604699895	/nfs/dbraw/zinc/69/98/95/604699895.db2.gz	BADHIPMARGZWLE-SSDOTTSWSA-N	-2	3	321.311	-1.869	20	0		DAADHL
O=C(Cn1[n-]cc2c(=O)ncnc1-2)NCCCc1c[n-][nH]c1=O	ZINC001301562628	778095135	/nfs/dbraw/zinc/09/51/35/778095135.db2.gz	XPKXAKCTYNQVKC-MRVPVSSYSA-N	-2	3	317.309	-1.301	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(c2nnn[n-]2)CC1	ZINC001302752687	778096193	/nfs/dbraw/zinc/09/61/93/778096193.db2.gz	CBNYCYQOPRFLNW-UHFFFAOYSA-N	-2	3	319.325	-1.154	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001302752687	778096198	/nfs/dbraw/zinc/09/61/98/778096198.db2.gz	CBNYCYQOPRFLNW-UHFFFAOYSA-N	-2	3	319.325	-1.154	20	0		DAADHL
Cc1cnc(=O)[n-]c1OC(=O)[C@@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226329972	780332550	/nfs/dbraw/zinc/33/25/50/780332550.db2.gz	NXKNFFIQNAXCDF-CAHLUQPWSA-N	-3	3	300.223	-1.068	20	0		DAADHL
Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-])cc(=O)[n-]1	ZINC001226511516	780334198	/nfs/dbraw/zinc/33/41/98/780334198.db2.gz	FJUNJRIZSMDAOS-MLUIRONXSA-N	-3	3	300.223	-1.068	20	0		DAADHL
O=C(Nc1ccc(Cl)nn1)C([O-])=C([O-])[C@H](O)[C@@H](O)CO	ZINC001144891767	781388513	/nfs/dbraw/zinc/38/85/13/781388513.db2.gz	BISZGBAEQNRJPU-MNWLTOSCSA-N	-2	3	305.674	-2.287	20	0		DAADHL
CC(C)(C)c1nnc(NC(=O)C([O-])=C([O-])[C@@H](O)[C@H](O)CO)o1	ZINC001144893165	781402458	/nfs/dbraw/zinc/40/24/58/781402458.db2.gz	MJXBASTUIALJCY-DSYKOEDSSA-N	-2	3	317.298	-2.050	20	0		DAADHL
O=C(C[C@@H]1NC(=O)CNC1=O)NCCCCP(=O)([O-])[O-]	ZINC001183730705	781733572	/nfs/dbraw/zinc/73/35/72/781733572.db2.gz	GOFTVNGYGSHYHB-ZETCQYMHSA-N	-2	3	307.243	-1.935	20	0		DAADHL
O=S(=O)([O-])CNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC001185620504	781763742	/nfs/dbraw/zinc/76/37/42/781763742.db2.gz	JEHYUWLNGCZKRZ-UHFFFAOYSA-N	-2	3	319.324	-1.010	20	0		DAADHL
O=S(=O)([O-])CNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC001185620504	781763746	/nfs/dbraw/zinc/76/37/46/781763746.db2.gz	JEHYUWLNGCZKRZ-UHFFFAOYSA-N	-2	3	319.324	-1.010	20	0		DAADHL
C[C@H]1[C@H]([N-]S(=O)(=O)c2ccco2)C(=O)N1S(=O)(=O)[O-]	ZINC001186867752	781791393	/nfs/dbraw/zinc/79/13/93/781791393.db2.gz	DYOFASKMWBQPDK-FSPLSTOPSA-N	-2	3	310.309	-1.040	20	0		DAADHL
COC(=O)CCS(=O)(=O)[N-][C@@H](CCC(=O)[O-])C(=O)OC	ZINC001188403706	781819949	/nfs/dbraw/zinc/81/99/49/781819949.db2.gz	XTKKRYMZJCMHSR-ZETCQYMHSA-N	-2	3	311.312	-1.125	20	0		DAADHL
CN(C)S(=O)(=O)CCC(=O)NCc1nc([O-])cc(=O)[n-]1	ZINC001363036722	918674515	/nfs/dbraw/zinc/67/45/15/918674515.db2.gz	IYQNTNMMMLJDQK-UHFFFAOYSA-N	-2	3	304.328	-1.215	20	0		DAADHL
O=C(c1cnc[n-]c1=O)N1CCN(Cc2n[nH]c(=O)[n-]2)CC1	ZINC001365696475	919217779	/nfs/dbraw/zinc/21/77/79/919217779.db2.gz	AVUQXKIBEGHRHG-UHFFFAOYSA-N	-2	3	305.298	-1.036	20	0		DAADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1cnc(-c2nnn[n-]2)n1	ZINC001575866503	949410647	/nfs/dbraw/zinc/41/06/47/949410647.db2.gz	UGENHYNRXLFCPT-ZETCQYMHSA-N	-2	3	318.301	-1.914	20	0		DAADHL
O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1nc(C2CC2)n[n-]1	ZINC001595125230	952009310	/nfs/dbraw/zinc/00/93/10/952009310.db2.gz	PVNCPPYXQKECBF-UHFFFAOYSA-N	-2	3	323.352	-1.045	20	0		DAADHL
O=C([O-])CS(=O)(=O)CCS(=O)(=O)c1nnc(C2CC2)[n-]1	ZINC001595125230	952009319	/nfs/dbraw/zinc/00/93/19/952009319.db2.gz	PVNCPPYXQKECBF-UHFFFAOYSA-N	-2	3	323.352	-1.045	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CCCS1(=O)=O	ZINC000133939126	958826734	/nfs/dbraw/zinc/82/67/34/958826734.db2.gz	WZQFARVNOLUVFQ-LURJTMIESA-N	-2	3	323.352	-1.037	20	0		DAADHL
COC(=O)[C@@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134673783	958846985	/nfs/dbraw/zinc/84/69/85/958846985.db2.gz	CCUXYEOMINBYNZ-SCSAIBSYSA-N	-2	3	310.309	-1.347	20	0		DAADHL
O=C([O-])c1ncsc1S(=O)(=O)[N-][C@@H]1CCC(=O)NC1=O	ZINC000134720588	958860268	/nfs/dbraw/zinc/86/02/68/958860268.db2.gz	DUERQWLPTRNBRJ-SCSAIBSYSA-N	-2	3	319.320	-1.075	20	0		DAADHL
Cc1nn2cccnc2c1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC001571069597	960876631	/nfs/dbraw/zinc/87/66/31/960876631.db2.gz	NYMPNAYZHTVUHY-ZETCQYMHSA-N	-2	3	300.296	-1.238	20	0		DAADHL
COC[C@@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001571095705	961156987	/nfs/dbraw/zinc/15/69/87/961156987.db2.gz	CCXOERQHOXJMMP-ZCFIWIBFSA-N	-2	3	307.284	-1.426	20	0		DAADHL
C[C@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)[O-]	ZINC001592816304	979514867	/nfs/dbraw/zinc/51/48/67/979514867.db2.gz	OBYADJUSJDMVDN-FSDSQADBSA-N	-2	3	301.342	-2.216	20	0		DAADHL
CNC(=O)[C@H](O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001598633269	994205110	/nfs/dbraw/zinc/20/51/10/994205110.db2.gz	YGGAGOABWKARBZ-SCSAIBSYSA-N	-2	3	309.325	-1.774	20	0		DAADHL
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001598634564	994226260	/nfs/dbraw/zinc/22/62/60/994226260.db2.gz	OVFUZBNXPDBUOE-MRVPVSSYSA-N	-2	3	308.356	-1.342	20	0		DAADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1	ZINC001598694110	995109020	/nfs/dbraw/zinc/10/90/20/995109020.db2.gz	IUWANTDWDODFJH-HRDYMLBCSA-N	-2	3	324.355	-1.054	20	0		DAADHL
COC(=O)COCC[N-]S(=O)(=O)c1n[nH]c(C)c1C(=O)[O-]	ZINC001598866541	996708736	/nfs/dbraw/zinc/70/87/36/996708736.db2.gz	WRFUOAOZYNKQGA-UHFFFAOYSA-N	-2	3	321.311	-1.116	20	0		DAADHL
CO[N-]C(=O)CNC(=O)N1CCN(C(C)(C)C(=O)[O-])CC1	ZINC001599320364	997570425	/nfs/dbraw/zinc/57/04/25/997570425.db2.gz	IFLGJFKYMQHLCH-UHFFFAOYSA-N	-2	3	302.331	-1.146	20	0		DAADHL
COCCCNC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O	ZINC001599225656	997754435	/nfs/dbraw/zinc/75/44/35/997754435.db2.gz	OUGICCIKGPRNMJ-LURJTMIESA-N	-3	3	319.314	-1.180	20	0		DAADHL
CCn1cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])nc1C	ZINC000050265460	372787831	/nfs/dbraw/zinc/78/78/31/372787831.db2.gz	SHGPCCLJBOWEIJ-SSDOTTSWSA-N	-2	3	304.328	-1.182	20	0		DAADHL
O=C(Nc1nnn[n-]1)C(F)(F)C(F)(F)C(=O)Nc1nnn[n-]1	ZINC000013968873	372779268	/nfs/dbraw/zinc/77/92/68/372779268.db2.gz	ULSXHDHOAPYDRW-UHFFFAOYSA-N	-2	3	324.158	-1.439	20	0		DAADHL
O=C(Nc1nn[n-]n1)C(F)(F)C(F)(F)C(=O)Nc1nnn[n-]1	ZINC000013968873	372779274	/nfs/dbraw/zinc/77/92/74/372779274.db2.gz	ULSXHDHOAPYDRW-UHFFFAOYSA-N	-2	3	324.158	-1.439	20	0		DAADHL
O=C(Nc1nn[n-]n1)C(F)(F)C(F)(F)C(=O)Nc1nn[n-]n1	ZINC000013968873	372779281	/nfs/dbraw/zinc/77/92/81/372779281.db2.gz	ULSXHDHOAPYDRW-UHFFFAOYSA-N	-2	3	324.158	-1.439	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)cn1C	ZINC000089696184	372818913	/nfs/dbraw/zinc/81/89/13/372818913.db2.gz	UQLIHMHXALNPMQ-UHFFFAOYSA-N	-2	3	314.327	-1.003	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CCn2cc(C(=O)[O-])nn2)c1	ZINC000089696328	372819727	/nfs/dbraw/zinc/81/97/27/372819727.db2.gz	JENKQFOCZLQGMD-UHFFFAOYSA-N	-2	3	300.300	-1.312	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)N2CCC[C@@H]2C(=O)[O-])c1	ZINC000262075728	373090166	/nfs/dbraw/zinc/09/01/66/373090166.db2.gz	DFIOJNBMIXWPSI-MRVPVSSYSA-N	-2	3	316.339	-1.226	20	0		DAADHL
CN(C)c1nc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@H]3C2)cc(=O)[n-]1	ZINC000338832367	373119248	/nfs/dbraw/zinc/11/92/48/373119248.db2.gz	KKKYQXIPSPIUDG-MRVPVSSYSA-N	-2	3	320.309	-1.376	20	0		DAADHL
CN(C)c1nc(C(=O)N2CCN3C(=O)[N-]C(=O)[C@@H]3C2)cc(=O)[n-]1	ZINC000338832368	373119315	/nfs/dbraw/zinc/11/93/15/373119315.db2.gz	KKKYQXIPSPIUDG-QMMMGPOBSA-N	-2	3	320.309	-1.376	20	0		DAADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-]C[C@H](O)C(=O)[O-])cn1	ZINC000279904513	373193708	/nfs/dbraw/zinc/19/37/08/373193708.db2.gz	CXVBGZWUOMKBJQ-ZETCQYMHSA-N	-2	3	324.336	-1.791	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)[N-]OCC(C)(C)O)c1	ZINC000294580527	373230633	/nfs/dbraw/zinc/23/06/33/373230633.db2.gz	YQJDQEZPQPLFHM-UHFFFAOYSA-N	-2	3	306.344	-1.483	20	0		DAADHL
C[N-]S(=O)(=O)c1ccc(C(=O)NC[C@](C)(O)C(=O)[O-])cn1	ZINC000584593593	373308547	/nfs/dbraw/zinc/30/85/47/373308547.db2.gz	GDPZSYMWGSRIQK-NSHDSACASA-N	-2	3	317.323	-1.445	20	0		DAADHL
C[C@@H](CS(C)(=O)=O)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000081902673	373623975	/nfs/dbraw/zinc/62/39/75/373623975.db2.gz	CXFYONWNICHRFP-YFKPBYRVSA-N	-2	3	311.341	-1.181	20	0		DAADHL
COC(=O)C1(CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])CCC1	ZINC000290869008	131524186	/nfs/dbraw/zinc/52/41/86/131524186.db2.gz	AXESVOIPMPAARC-UHFFFAOYSA-N	-2	3	322.339	-1.550	20	0		DAADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1cn2c(n1)CCCC2	ZINC000360450474	409507349	/nfs/dbraw/zinc/50/73/49/409507349.db2.gz	WWWMVZQNRVAHQA-UHFFFAOYSA-N	-2	3	316.339	-1.302	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)NCCC(=O)[O-])cn1C	ZINC000262255058	262492763	/nfs/dbraw/zinc/49/27/63/262492763.db2.gz	RFTWKXWQMYKPLB-UHFFFAOYSA-N	-2	3	318.355	-1.012	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)NCCCC(=O)[O-])c1	ZINC000262741742	262495941	/nfs/dbraw/zinc/49/59/41/262495941.db2.gz	ISTIGYUJZIPXGU-UHFFFAOYSA-N	-2	3	304.328	-1.321	20	0		DAADHL
CN(CC(=O)[O-])[C@@H]1CN(C(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)C[C@H]1O	ZINC000417372740	263270903	/nfs/dbraw/zinc/27/09/03/263270903.db2.gz	ZRVVKCZRZKLUQF-DEKFOEGESA-N	-2	3	314.338	-1.069	20	0		DAADHL
N=c1nc(N2CC3N=NC(=O)N3C[C@@H]2C(=O)[O-])nc2[nH][n-]cc1-2	ZINC000424380690	263290732	/nfs/dbraw/zinc/29/07/32/263290732.db2.gz	XJURRHHMECLGFU-RXMQYKEDSA-N	-2	3	317.269	-1.512	20	0		DAADHL
Cn1cc(C(=O)NCCCCP(=O)([O-])[O-])c(=O)n(C)c1=O	ZINC001195545155	782071623	/nfs/dbraw/zinc/07/16/23/782071623.db2.gz	LMULIAQXBXKVEO-UHFFFAOYSA-N	-2	3	319.254	-1.228	20	0		DAADHL
C[C@@H](CN(C)C(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000583993851	331532812	/nfs/dbraw/zinc/53/28/12/331532812.db2.gz	ASYMAYJWTDIQLM-QMMMGPOBSA-N	-2	3	318.355	-1.123	20	0		DAADHL
CC(C)n1cnc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1	ZINC000547546967	341222061	/nfs/dbraw/zinc/22/20/61/341222061.db2.gz	DGPANZLDMHBTBE-UHFFFAOYSA-N	-2	3	304.328	-1.057	20	0		DAADHL
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Cn1c(=O)c(-c2nnn[n-]2)c(NCc2nnn[n-]2)n(C)c1=O	ZINC000737596414	598628622	/nfs/dbraw/zinc/62/86/22/598628622.db2.gz	NIBKPKOSSNRXAM-UHFFFAOYSA-N	-2	3	305.262	-2.611	20	0		DAADHL
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nnn[n-]2)n(C)c1=O	ZINC000737596414	598628623	/nfs/dbraw/zinc/62/86/23/598628623.db2.gz	NIBKPKOSSNRXAM-UHFFFAOYSA-N	-2	3	305.262	-2.611	20	0		DAADHL
Cn1c(=O)c(-c2nnn[n-]2)c(NCc2nn[n-]n2)n(C)c1=O	ZINC000737596414	598628625	/nfs/dbraw/zinc/62/86/25/598628625.db2.gz	NIBKPKOSSNRXAM-UHFFFAOYSA-N	-2	3	305.262	-2.611	20	0		DAADHL
Cn1c(=O)c(-c2nn[n-]n2)c(NCc2nn[n-]n2)n(C)c1=O	ZINC000737596414	598628626	/nfs/dbraw/zinc/62/86/26/598628626.db2.gz	NIBKPKOSSNRXAM-UHFFFAOYSA-N	-2	3	305.262	-2.611	20	0		DAADHL
O=C([O-])CNC(=O)C[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC000833251571	601831768	/nfs/dbraw/zinc/83/17/68/601831768.db2.gz	CXDAKPFLRQOQMI-UHFFFAOYSA-N	-3	3	323.308	-1.680	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2COCCN2C(=O)[O-])n1	ZINC000739768070	602911173	/nfs/dbraw/zinc/91/11/73/602911173.db2.gz	GUOIQKDZFLEWEM-LURJTMIESA-N	-2	3	313.270	-1.163	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@@H]2COCCN2C(=O)[O-])n[n-]1	ZINC000739768070	602911175	/nfs/dbraw/zinc/91/11/75/602911175.db2.gz	GUOIQKDZFLEWEM-LURJTMIESA-N	-2	3	313.270	-1.163	20	0		DAADHL
NC(=O)CO[N-]C(=O)Nc1ccc(CC(=O)NCC(=O)[O-])cc1	ZINC000833761694	605170043	/nfs/dbraw/zinc/17/00/43/605170043.db2.gz	RBLDFAOQAPMOQA-UHFFFAOYSA-N	-2	3	324.293	-1.032	20	0		DAADHL
NC(=O)CO[N-]C(=O)CNC(=O)c1ccc(-c2nnn[n-]2)cc1	ZINC000826391473	608280780	/nfs/dbraw/zinc/28/07/80/608280780.db2.gz	MZJYFNNMIADCKA-UHFFFAOYSA-N	-2	3	319.281	-1.870	20	0		DAADHL
NC(=O)CO[N-]C(=O)CNC(=O)c1ccc(-c2nn[n-]n2)cc1	ZINC000826391473	608280782	/nfs/dbraw/zinc/28/07/82/608280782.db2.gz	MZJYFNNMIADCKA-UHFFFAOYSA-N	-2	3	319.281	-1.870	20	0		DAADHL
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC000970581302	662364880	/nfs/dbraw/zinc/36/48/80/662364880.db2.gz	IECASLIIXNUYAC-ZCFIWIBFSA-N	-2	3	324.301	-2.096	20	0		DAADHL
O=C(N[C@H]1C[C@@H](NCc2n[nH]c(=O)[n-]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001022369224	662391300	/nfs/dbraw/zinc/39/13/00/662391300.db2.gz	BPEOTAOFISDCPX-SYDPRGILSA-N	-2	3	322.285	-1.843	20	0		DAADHL
Cn1[n-]c(CN2CC(NC(=O)c3ncccc3[O-])C2)nc1=O	ZINC001030239695	663172786	/nfs/dbraw/zinc/17/27/86/663172786.db2.gz	MCPSXHOVYHOSRG-UHFFFAOYSA-N	-2	3	304.310	-1.177	20	0		DAADHL
C[N-]S(=O)(=O)c1cc(C(=O)OCc2nc(=O)n(C)[n-]2)co1	ZINC000765496821	663813172	/nfs/dbraw/zinc/81/31/72/663813172.db2.gz	LQQPLNDUSDFGND-UHFFFAOYSA-N	-2	3	316.295	-1.034	20	0		DAADHL
O=C(Cn1c(=O)[n-][nH]c1=O)N1CC[C@H](NCc2n[nH]c(=O)[n-]2)C1	ZINC001019710185	664603751	/nfs/dbraw/zinc/60/37/51/664603751.db2.gz	IECASLIIXNUYAC-LURJTMIESA-N	-2	3	324.301	-2.096	20	0		DAADHL
C[N-]S(=O)(=O)c1cc(C(=O)[N-]N2CC(=O)N(C)C2=O)co1	ZINC001254338821	782421864	/nfs/dbraw/zinc/42/18/64/782421864.db2.gz	PBRTVVOGDYTMOV-UHFFFAOYSA-N	-2	3	316.295	-1.274	20	0		DAADHL
O=C([O-])C[C@@H](C(=O)OCCP(=O)([O-])[O-])[C@@H](O)C(=O)[O-]	ZINC001224601475	775664806	/nfs/dbraw/zinc/66/48/06/775664806.db2.gz	HQSOLRXVOALSBM-INEUFUBQSA-N	-4	3	300.156	-1.756	20	0		DAADHL
O=C([O-])C[C@@H](C(=O)OCCP(=O)([O-])[O-])[C@H](O)C(=O)[O-]	ZINC001224601478	775665501	/nfs/dbraw/zinc/66/55/01/775665501.db2.gz	HQSOLRXVOALSBM-XINAWCOVSA-N	-4	3	300.156	-1.756	20	0		DAADHL
Cn1[n-]c(CNCCNC(=O)c2cnc([O-])n(C)c2=O)nc1=O	ZINC001132242155	776613357	/nfs/dbraw/zinc/61/33/57/776613357.db2.gz	KGHZSPVPFWDLJE-UHFFFAOYSA-N	-2	3	323.313	-2.573	20	0		DAADHL
Cc1nc(OC(=O)[C@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[n-]1	ZINC001226511513	780334578	/nfs/dbraw/zinc/33/45/78/780334578.db2.gz	FJUNJRIZSMDAOS-ANLVUFKYSA-N	-3	3	300.223	-1.068	20	0		DAADHL
NC(=O)c1ccc([O-])cc1OC(=O)[C@H](O)COP(=O)([O-])[O-]	ZINC001228166623	780346235	/nfs/dbraw/zinc/34/62/35/780346235.db2.gz	CLSZWGFGBHKULU-SSDOTTSWSA-N	-3	3	321.178	-1.133	20	0		DAADHL
O=C(Nc1ccc(Cl)nn1)C([O-])=C([O-])[C@H](O)[C@H](O)CO	ZINC001144891766	781388500	/nfs/dbraw/zinc/38/85/00/781388500.db2.gz	BISZGBAEQNRJPU-FOPMIJGASA-N	-2	3	305.674	-2.287	20	0		DAADHL
CC(C)(C)c1nnc(NC(=O)C([O-])=C([O-])[C@H](O)[C@@H](O)CO)o1	ZINC001144893168	781402780	/nfs/dbraw/zinc/40/27/80/781402780.db2.gz	MJXBASTUIALJCY-RRKCRQDMSA-N	-2	3	317.298	-2.050	20	0		DAADHL
O=C(NCCNCc1n[nH]c(=O)[n-]1)c1cc(=O)n2[n-]cnc2n1	ZINC001147711962	781454798	/nfs/dbraw/zinc/45/47/98/781454798.db2.gz	HMSNRADPLAOQFP-UHFFFAOYSA-N	-2	3	319.285	-2.239	20	0		DAADHL
Cn1c(=O)cc(C(=O)NCCCCP(=O)([O-])[O-])n(C)c1=O	ZINC001189439240	781842481	/nfs/dbraw/zinc/84/24/81/781842481.db2.gz	BUGJRQZRLCHLTJ-UHFFFAOYSA-N	-2	3	319.254	-1.228	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2nnn[n-]2)C1	ZINC001318461332	916396368	/nfs/dbraw/zinc/39/63/68/916396368.db2.gz	MUVMRRIGUSWKBL-QMMMGPOBSA-N	-2	3	321.297	-1.960	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@H](c2nn[n-]n2)C1	ZINC001318461332	916396392	/nfs/dbraw/zinc/39/63/92/916396392.db2.gz	MUVMRRIGUSWKBL-QMMMGPOBSA-N	-2	3	321.297	-1.960	20	0		DAADHL
C[N-]S(=O)(=O)c1ccc(C(=O)[N-]N2CC(=O)N(C)C2=O)o1	ZINC001341604545	917761351	/nfs/dbraw/zinc/76/13/51/917761351.db2.gz	UCLNFEZKGTVVHT-UHFFFAOYSA-N	-2	3	316.295	-1.274	20	0		DAADHL
NC(=O)[C@@]1([N-]S(=O)(=O)N2CCC[C@H]2C(=O)[O-])CCOC1	ZINC001594639514	956405885	/nfs/dbraw/zinc/40/58/85/956405885.db2.gz	XHARRXNZEVTUBB-OIBJUYFYSA-N	-2	3	307.328	-1.986	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]CCN1CCOCC1	ZINC000037731677	957322239	/nfs/dbraw/zinc/32/22/39/957322239.db2.gz	FLJVXIXUFVQMJA-UHFFFAOYSA-N	-2	3	304.328	-1.282	20	0		DAADHL
COC(=O)[C@H](CO)[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000134673800	958848329	/nfs/dbraw/zinc/84/83/29/958848329.db2.gz	CCUXYEOMINBYNZ-BYPYZUCNSA-N	-2	3	310.309	-1.347	20	0		DAADHL
O=C([O-])CNC(=O)CNC(=O)CNC(=O)c1ccc([O-])cc1	ZINC000147075258	958996259	/nfs/dbraw/zinc/99/62/59/958996259.db2.gz	MNXIFSNUKHHKAC-UHFFFAOYSA-N	-2	3	309.278	-1.561	20	0		DAADHL
CC(C)(C)[C@@H]([N-]S(C)(=O)=O)C(=O)OCC(=O)NCC(=O)[O-]	ZINC001588639811	959677556	/nfs/dbraw/zinc/67/75/56/959677556.db2.gz	QDITZWGEZUROSD-VIFPVBQESA-N	-2	3	324.355	-1.306	20	0		DAADHL
C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC000227116049	959921150	/nfs/dbraw/zinc/92/11/50/959921150.db2.gz	LEUYJQVZQWOJKV-QUBYGPBYSA-N	-2	3	305.312	-1.074	20	0		DAADHL
Cn1cnc(C[N-]S(=O)(=O)c2cnn(CC(=O)[O-])c2)n1	ZINC000236139190	960555861	/nfs/dbraw/zinc/55/58/61/960555861.db2.gz	CLXDSDXMZGPEGU-UHFFFAOYSA-N	-2	3	300.300	-1.425	20	0		DAADHL
Cn1cnnc1S(=O)(=O)[N-]C[C@H](C(=O)[O-])[C@H]1CCOC1	ZINC001571086557	961074994	/nfs/dbraw/zinc/07/49/94/961074994.db2.gz	RXOQATRIOVJKQN-YUMQZZPRSA-N	-2	3	304.328	-1.169	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H](O)[C@@H]1CCCO1	ZINC001571088261	961093925	/nfs/dbraw/zinc/09/39/25/961093925.db2.gz	VXFXHBNIACVJAT-SFYZADRCSA-N	-2	3	305.312	-1.074	20	0		DAADHL
COC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001571095701	961156385	/nfs/dbraw/zinc/15/63/85/961156385.db2.gz	CCXOERQHOXJMMP-LURJTMIESA-N	-2	3	307.284	-1.426	20	0		DAADHL
CN1CCN(CC[N-]S(=O)(=O)c2cc(C(=O)[O-])no2)CC1	ZINC000315494122	963908802	/nfs/dbraw/zinc/90/88/02/963908802.db2.gz	XKEIGASTEVLCPE-UHFFFAOYSA-N	-2	3	318.355	-1.102	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@@H]1CN2CCN1CC2	ZINC000394657051	972731532	/nfs/dbraw/zinc/73/15/32/972731532.db2.gz	AKOIXBZMTISHIV-MRVPVSSYSA-N	-2	3	315.355	-1.614	20	0		DAADHL
C[C@@H](CC(=O)[O-])N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001592410673	978003280	/nfs/dbraw/zinc/00/32/80/978003280.db2.gz	LQNRUINWTQBKDE-QMMMGPOBSA-N	-2	3	313.314	-1.303	20	0		DAADHL
CC(C)(C(=O)[O-])N1CCN(C(=O)c2n[nH]c(=O)[n-]c2=O)CC1	ZINC001589628744	987530442	/nfs/dbraw/zinc/53/04/42/987530442.db2.gz	WQUZADCIWVOTNE-UHFFFAOYSA-N	-2	3	311.298	-1.096	20	0		DAADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-]CCOCC(=O)[O-]	ZINC001598283084	991169011	/nfs/dbraw/zinc/16/90/11/991169011.db2.gz	DETNOYQTSCHVFL-KRWDZBQOSA-N	-2	3	303.362	-1.504	20	0		DAADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@H](O)CC(=O)[O-]	ZINC001598284014	991178686	/nfs/dbraw/zinc/17/86/86/991178686.db2.gz	VNHSDSAZOBUWJB-ZWBDZOEQSA-N	-2	3	303.362	-1.769	20	0		DAADHL
CN(CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2)CC(=O)[O-]	ZINC001598491207	992293843	/nfs/dbraw/zinc/29/38/43/992293843.db2.gz	TXZMEDUTZOAZKU-UHFFFAOYSA-N	-2	3	308.298	-1.796	20	0		DAADHL
CN1CCN(CCN(CC(=O)[O-])C(=O)c2cnncc2[O-])CC1	ZINC001598616687	993896420	/nfs/dbraw/zinc/89/64/20/993896420.db2.gz	JQTUKIGECNUNTF-UHFFFAOYSA-N	-2	3	323.353	-1.044	20	0		DAADHL
CNC(=O)[C@H](CO)[N-]S(=O)(=O)CC1(C(=O)[O-])CCCC1	ZINC001598634565	994226610	/nfs/dbraw/zinc/22/66/10/994226610.db2.gz	OVFUZBNXPDBUOE-QMMMGPOBSA-N	-2	3	308.356	-1.342	20	0		DAADHL
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)Cc1ccc(C(=O)[O-])cc1	ZINC001598634604	994227577	/nfs/dbraw/zinc/22/75/77/994227577.db2.gz	PRERFANXJUVBAD-SNVBAGLBSA-N	-2	3	316.335	-1.089	20	0		DAADHL
CNS(=O)(=O)CC[N-]S(=O)(=O)c1occc1C(=O)[O-]	ZINC001598672634	994784722	/nfs/dbraw/zinc/78/47/22/994784722.db2.gz	XJXQHACFOAVUOP-UHFFFAOYSA-N	-2	3	312.325	-1.195	20	0		DAADHL
COC(=O)[C@H](CC(=O)[O-])[N-]S(=O)(=O)N1CCC(OC)CC1	ZINC001598694026	995108394	/nfs/dbraw/zinc/10/83/94/995108394.db2.gz	HWKOJPWHYIZGPG-VIFPVBQESA-N	-2	3	324.355	-1.052	20	0		DAADHL
CC1(C)[C@@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CS1(=O)=O	ZINC001593988551	997242273	/nfs/dbraw/zinc/24/22/73/997242273.db2.gz	UKOGBPIUPRBOID-LURJTMIESA-N	-2	3	323.352	-1.038	20	0		DAADHL
COCCCNC(=C(F)C(=O)[O-])c1c([O-])[nH]c(=S)[n-]c1=O	ZINC001599225657	997754187	/nfs/dbraw/zinc/75/41/87/997754187.db2.gz	OUGICCIKGPRNMJ-ZCFIWIBFSA-N	-3	3	319.314	-1.180	20	0		DAADHL
CN(CCC(=O)[O-])C(=O)C[N-]S(=O)(=O)c1cn(C)cn1	ZINC000262922037	373133809	/nfs/dbraw/zinc/13/38/09/373133809.db2.gz	VNWFSKJMKXEKBW-UHFFFAOYSA-N	-2	3	304.328	-1.369	20	0		DAADHL
CS(=O)(=O)c1ccc(S(=O)(=O)[N-][C@H](CO)C(=O)[O-])cn1	ZINC000279982173	373193123	/nfs/dbraw/zinc/19/31/23/373193123.db2.gz	KZBIJEJQZQGNMH-SSDOTTSWSA-N	-2	3	324.336	-1.791	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-][C@@H]1CCS(=O)(=O)C1	ZINC000037731724	373309506	/nfs/dbraw/zinc/30/95/06/373309506.db2.gz	VGYDHHDBMLUCRK-RXMQYKEDSA-N	-2	3	309.325	-1.427	20	0		DAADHL
CCO[C@@H](CS(=O)(=O)[N-]CC(=O)NCC(=O)[O-])C1CC1	ZINC000629285464	373387369	/nfs/dbraw/zinc/38/73/69/373387369.db2.gz	VFOBTKRNGWMNSG-VIFPVBQESA-N	-2	3	308.356	-1.078	20	0		DAADHL
CS(=O)(=O)NCC[N-]S(=O)(=O)c1cc(C(=O)[O-])co1	ZINC000645964546	545788602	/nfs/dbraw/zinc/78/86/02/545788602.db2.gz	GRTYSOYQJSDSSW-UHFFFAOYSA-N	-2	3	312.325	-1.195	20	0		DAADHL
C[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)[N-]OCC(N)=O	ZINC000271402588	129909315	/nfs/dbraw/zinc/90/93/15/129909315.db2.gz	MWKDTLLBZQUSOK-ZCFIWIBFSA-N	-2	3	307.353	-1.052	20	0		DAADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-][C@@H](CO)C(=O)[O-])s1	ZINC000516297827	409556873	/nfs/dbraw/zinc/55/68/73/409556873.db2.gz	PLRRFICXIAXNIE-YFKPBYRVSA-N	-2	3	309.325	-1.175	20	0		DAADHL
Cn1cc(S(=O)(=O)[N-]Cc2nnn(C)n2)cc1C(=O)[O-]	ZINC000398150338	263221463	/nfs/dbraw/zinc/22/14/63/263221463.db2.gz	RVVGHSWMFCQFBJ-UHFFFAOYSA-N	-2	3	300.300	-1.275	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CCC(=O)N[C@@H](C)C(=O)[O-])cn1C	ZINC000262992653	263316373	/nfs/dbraw/zinc/31/63/73/263316373.db2.gz	VTHVRRPBYMUDAN-ZETCQYMHSA-N	-2	3	318.355	-1.014	20	0		DAADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000548208125	341252768	/nfs/dbraw/zinc/25/27/68/341252768.db2.gz	QFXLYQBDAZGPPJ-ZETCQYMHSA-N	-2	3	323.348	-1.186	20	0		DAADHL
COC(=O)CNC(=O)C[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000737622563	599768949	/nfs/dbraw/zinc/76/89/49/599768949.db2.gz	PKHJYSGBMIMHLO-UHFFFAOYSA-N	-2	3	320.279	-1.455	20	0		DAADHL
NC(=O)NC(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000833083851	602062908	/nfs/dbraw/zinc/06/29/08/602062908.db2.gz	OZJJTTXEOPSNIC-UHFFFAOYSA-N	-2	3	305.268	-1.159	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@H]2COCCN2C(=O)[O-])n1	ZINC000739768073	602911010	/nfs/dbraw/zinc/91/10/10/602911010.db2.gz	GUOIQKDZFLEWEM-ZCFIWIBFSA-N	-2	3	313.270	-1.163	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@H]2COCCN2C(=O)[O-])n[n-]1	ZINC000739768073	602911011	/nfs/dbraw/zinc/91/10/11/602911011.db2.gz	GUOIQKDZFLEWEM-ZCFIWIBFSA-N	-2	3	313.270	-1.163	20	0		DAADHL
COC(=O)Cc1n[n-]c(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n1	ZINC000828699748	603809608	/nfs/dbraw/zinc/80/96/08/603809608.db2.gz	KNDMUSVSZFCFKV-RITPCOANSA-N	-2	3	313.270	-1.428	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[O-])n[n-]1	ZINC000828699748	603809610	/nfs/dbraw/zinc/80/96/10/603809610.db2.gz	KNDMUSVSZFCFKV-RITPCOANSA-N	-2	3	313.270	-1.428	20	0		DAADHL
Cn1cc(-c2nnn[n-]2)c(NC(=O)NCc2n[nH]c(=O)[n-]2)n1	ZINC000822619858	606806446	/nfs/dbraw/zinc/80/64/46/606806446.db2.gz	IMSXGECAWNGZIB-UHFFFAOYSA-N	-2	3	305.262	-1.254	20	0		DAADHL
CCOCCS(=O)(=O)[N-]CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774969852	663820718	/nfs/dbraw/zinc/82/07/18/663820718.db2.gz	XVDFGVLWZATNDM-UHFFFAOYSA-N	-2	3	308.316	-1.491	20	0		DAADHL
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C[N-]S(=O)(=O)c1ccc(C(=O)OCc2nc(=O)n(C)[n-]2)o1	ZINC000765441253	663813353	/nfs/dbraw/zinc/81/33/53/663813353.db2.gz	UZYMRANMYHMXJO-UHFFFAOYSA-N	-2	3	316.295	-1.034	20	0		DAADHL
CC(C)OCCS(=O)(=O)[N-]CC(=O)OCc1n[nH]c(=O)[n-]1	ZINC000774964169	663820999	/nfs/dbraw/zinc/82/09/99/663820999.db2.gz	RJNYNGPSTHTOCL-UHFFFAOYSA-N	-2	3	322.343	-1.102	20	0		DAADHL
CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-][C@@H](CO)C(=O)[O-]	ZINC000776444687	663822265	/nfs/dbraw/zinc/82/22/65/663822265.db2.gz	NJYXWVABSBNFMM-LURJTMIESA-N	-2	3	321.311	-1.381	20	0		DAADHL
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Cn1[n-]c(CNCCNC(=O)c2n[nH]c(=O)[n-]c2=O)nc1=O	ZINC001130862950	776540561	/nfs/dbraw/zinc/54/05/61/776540561.db2.gz	KEWXYELRYJODTQ-UHFFFAOYSA-N	-2	3	310.274	-2.776	20	0		DAADHL
Cc1c(=O)[n-]cnc1OC(=O)[C@H](CC(=O)[O-])[C@@H](O)C(=O)[O-]	ZINC001226075571	780330845	/nfs/dbraw/zinc/33/08/45/780330845.db2.gz	IALJKVMZALRBCA-IYSWYEEDSA-N	-3	3	300.223	-1.068	20	0		DAADHL
Cc1nc(OC(=O)[C@@H](CC(=O)[O-])[C@H](O)C(=O)[O-])cc(=O)[n-]1	ZINC001226511514	780334369	/nfs/dbraw/zinc/33/43/69/780334369.db2.gz	FJUNJRIZSMDAOS-CDUCUWFYSA-N	-3	3	300.223	-1.068	20	0		DAADHL
C[C@H]1[C@H](NC(=O)c2cc(=O)[n-]c(=O)[nH]2)C(=O)N1S(=O)(=O)[O-]	ZINC001147701348	781454328	/nfs/dbraw/zinc/45/43/28/781454328.db2.gz	ZPYBJKGKDJRNOH-DZSWIPIPSA-N	-2	3	318.267	-1.980	20	0		DAADHL
CS(=O)(=O)N1CC(C(=O)NCCCCP(=O)([O-])[O-])C1	ZINC001183025512	781720612	/nfs/dbraw/zinc/72/06/12/781720612.db2.gz	OQFCHXCEXIRMNY-UHFFFAOYSA-N	-2	3	314.300	-1.048	20	0		DAADHL
O=C(Cn1cc(F)c(=O)[n-]c1=O)N[C@H]1SC(=O)[N-]C1=O	ZINC001183662694	781730019	/nfs/dbraw/zinc/73/00/19/781730019.db2.gz	OKUSIQBCYPVFEU-ZETCQYMHSA-N	-2	3	302.243	-1.487	20	0		DAADHL
O=C(CCn1cc[n-]c(=O)c1=O)N1CCO[C@@H](c2nnn[n-]2)C1	ZINC001318461328	916396687	/nfs/dbraw/zinc/39/66/87/916396687.db2.gz	MUVMRRIGUSWKBL-MRVPVSSYSA-N	-2	3	321.297	-1.960	20	0		DAADHL
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O=C(CCn1cc[n-]c(=O)c1=O)N1CCC[C@@H](c2nnn[n-]2)C1	ZINC001319814854	916449802	/nfs/dbraw/zinc/44/98/02/916449802.db2.gz	UQOWNMOQMFDJBB-SECBINFHSA-N	-2	3	319.325	-1.154	20	0		DAADHL
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Cc1[n-][nH]c(=O)c1CCNC(=O)Cn1[n-]cc2c(=O)ncnc1-2	ZINC001411761701	925856152	/nfs/dbraw/zinc/85/61/52/925856152.db2.gz	BNRMZALIDSXKQE-MRVPVSSYSA-N	-2	3	317.309	-1.301	20	0		DAADHL
C[C@@H]1[C@H]([N-]S(=O)(=O)c2n[nH]cc2C(=O)[O-])CCS1(=O)=O	ZINC000381186918	971745539	/nfs/dbraw/zinc/74/55/39/971745539.db2.gz	QYBXVFKLSACKOA-IYSWYEEDSA-N	-2	3	323.352	-1.038	20	0		DAADHL
CN(C)[S@@](C)(=O)=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC001593708923	954168882	/nfs/dbraw/zinc/16/88/82/954168882.db2.gz	BMHZIOICZZKESY-CVJBHZAOSA-N	-2	3	315.373	-1.361	20	0		DAADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-][C@]1(C(=O)[O-])CCOC1	ZINC001593708927	954169093	/nfs/dbraw/zinc/16/90/93/954169093.db2.gz	BMHZIOICZZKESY-NTCNTBNZSA-N	-2	3	315.373	-1.361	20	0		DAADHL
Cc1[n-][nH]c(=O)c1CCNC(=O)[C@@H]1CCCN(CC(=O)[O-])C1=O	ZINC001589256268	956993241	/nfs/dbraw/zinc/99/32/41/956993241.db2.gz	ANJLAHHONFDADG-UWVGGRQHSA-N	-2	3	324.337	-1.062	20	0		DAADHL
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NC(=O)COCC[N-]S(=O)(=O)c1scnc1C(=O)[O-]	ZINC000230041060	960110580	/nfs/dbraw/zinc/11/05/80/960110580.db2.gz	NDJMVVQXLWYNSR-UHFFFAOYSA-N	-2	3	309.325	-1.379	20	0		DAADHL
CNS(=O)(=O)CC[N-]S(=O)(=O)c1ccc(C(=O)[O-])o1	ZINC000230989320	960176947	/nfs/dbraw/zinc/17/69/47/960176947.db2.gz	UKPBKJUCPBCLBT-UHFFFAOYSA-N	-2	3	312.325	-1.195	20	0		DAADHL
O=C([O-])c1c[nH]nc1S(=O)(=O)[N-]C[C@H]1CN2CCN1CC2	ZINC000394657057	972731650	/nfs/dbraw/zinc/73/16/50/972731650.db2.gz	AKOIXBZMTISHIV-QMMMGPOBSA-N	-2	3	315.355	-1.614	20	0		DAADHL
C[C@H](CC(=O)[O-])N1CCN(C(=O)Cn2c(=O)[n-][nH]c2=O)CC1	ZINC001592410672	978003245	/nfs/dbraw/zinc/00/32/45/978003245.db2.gz	LQNRUINWTQBKDE-MRVPVSSYSA-N	-2	3	313.314	-1.303	20	0		DAADHL
C[C@@H](CS(=O)(=O)[N-][C@@H]1CS(=O)(=O)C[C@H]1O)C(=O)[O-]	ZINC001592816311	979514795	/nfs/dbraw/zinc/51/47/95/979514795.db2.gz	OBYADJUSJDMVDN-RRKCRQDMSA-N	-2	3	301.342	-2.216	20	0		DAADHL
CCO[N-]C(=O)CNC(=O)N1CCN(C)C[C@@H](C(=O)[O-])C1	ZINC001596968394	986182997	/nfs/dbraw/zinc/18/29/97/986182997.db2.gz	LFXUQDLZLJTJDC-SECBINFHSA-N	-2	3	302.331	-1.288	20	0		DAADHL
CN(C)S(=O)(=O)CCS(=O)(=O)[N-]C[C@H](F)C(=O)[O-]	ZINC001598262256	991098263	/nfs/dbraw/zinc/09/82/63/991098263.db2.gz	MFQHIPYZHGFEOY-LURJTMIESA-N	-2	3	306.337	-1.780	20	0		DAADHL
CN(C)[S@](C)(=O)=NS(=O)(=O)[N-]C[C@@H](O)CC(=O)[O-]	ZINC001598284013	991178458	/nfs/dbraw/zinc/17/84/58/991178458.db2.gz	VNHSDSAZOBUWJB-QVHKOIDPSA-N	-2	3	303.362	-1.769	20	0		DAADHL
CNC(=O)[C@@H](CO)[N-]S(=O)(=O)c1csnc1C(=O)[O-]	ZINC001598634588	994227457	/nfs/dbraw/zinc/22/74/57/994227457.db2.gz	PLDWPPDOGTVSHH-SCSAIBSYSA-N	-2	3	309.325	-1.774	20	0		DAADHL
C[N-]S(=O)(=O)c1cc(C(=O)N[C@H](CO)C(=O)[O-])c(C)o1	ZINC001598673448	994798525	/nfs/dbraw/zinc/79/85/25/994798525.db2.gz	OAIXHJNVCSVAEE-SSDOTTSWSA-N	-2	3	306.296	-1.329	20	0		DAADHL
COC(=O)[C@@H](CC(=O)[O-])[N-]S(=O)(=O)N1CCOC(C)(C)C1	ZINC001598692906	995092057	/nfs/dbraw/zinc/09/20/57/995092057.db2.gz	ARFJGEYDEKSPKA-MRVPVSSYSA-N	-2	3	324.355	-1.052	20	0		DAADHL
CON(C)C(=O)[C@H](C)[N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-]	ZINC001599314207	997468522	/nfs/dbraw/zinc/46/85/22/997468522.db2.gz	DFPBNLRPLAAKHW-YFKPBYRVSA-N	-2	3	306.300	-1.206	20	0		DAADHL
COCC[C@H]([N-]S(=O)(=O)c1n[nH]cc1C(=O)[O-])C(=O)OC	ZINC001599219676	997644548	/nfs/dbraw/zinc/64/45/48/997644548.db2.gz	WVEXLBGICPTGBQ-ZETCQYMHSA-N	-2	3	321.311	-1.036	20	0		DAADHL
COC[C@@](C)([N-]S(=O)(=O)N=[S@](C)(=O)N(C)C)C(=O)[O-]	ZINC001599155348	998363652	/nfs/dbraw/zinc/36/36/52/998363652.db2.gz	QRCGIEOXSDKZON-CVJBHZAOSA-N	-2	3	317.389	-1.115	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)NC[C@@H](C)C(=O)[O-])cn1C	ZINC000655560078	545695249	/nfs/dbraw/zinc/69/52/49/545695249.db2.gz	HOGYRCQOPYUODT-SSDOTTSWSA-N	-2	3	318.355	-1.156	20	0		DAADHL
CC(C)[C@@H](NC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000262901180	373133514	/nfs/dbraw/zinc/13/35/14/373133514.db2.gz	PXGQVXAKZKTDIL-SNVBAGLBSA-N	-2	3	318.355	-1.076	20	0		DAADHL
Cn1cc(S(=O)(=O)[N-][C@H](CC(N)=O)C(=O)[O-])nc1Cl	ZINC000274929291	373178614	/nfs/dbraw/zinc/17/86/14/373178614.db2.gz	OOOUXVQFTIVZDQ-SCSAIBSYSA-N	-2	3	310.719	-1.320	20	0		DAADHL
Cn1cc(S(=O)(=O)[N-]CCC(=O)NCC(=O)[O-])nc1Cl	ZINC000278363998	373186753	/nfs/dbraw/zinc/18/67/53/373186753.db2.gz	YRKHJARFQHXIND-UHFFFAOYSA-N	-2	3	324.746	-1.057	20	0		DAADHL
Cn1c(=O)[n-]c(=O)c2cc(S(=O)(=O)NCC(=O)[O-])cnc21	ZINC000340457761	373227268	/nfs/dbraw/zinc/22/72/68/373227268.db2.gz	ZCFGAGOGMJJKCE-UHFFFAOYSA-N	-2	3	314.279	-1.603	20	0		DAADHL
CC(=O)Nc1ncc(S(=O)(=O)[N-]C[C@@H](O)C(=O)[O-])s1	ZINC000656527937	545821664	/nfs/dbraw/zinc/82/16/64/545821664.db2.gz	BKSRLRUNINHQKW-RXMQYKEDSA-N	-2	3	309.325	-1.175	20	0		DAADHL
Cc1nc(S(=O)(=O)[N-]CC(=O)N[C@@H](C)C(=O)[O-])cn1C	ZINC000427299764	409336854	/nfs/dbraw/zinc/33/68/54/409336854.db2.gz	PXWTWCIPGACXIM-LURJTMIESA-N	-2	3	304.328	-1.404	20	0		DAADHL
NC(=O)C[C@H]([N-]S(=O)(=O)c1cn2c(n1)CCCC2)C(=O)[O-]	ZINC000363765892	409340691	/nfs/dbraw/zinc/34/06/91/409340691.db2.gz	GLGDVIFRSPXUIV-ZETCQYMHSA-N	-2	3	316.339	-1.174	20	0		DAADHL
C[C@@H](CNC(=O)C[N-]S(=O)(=O)c1cn(C)cn1)C(=O)[O-]	ZINC000655559040	409415302	/nfs/dbraw/zinc/41/53/02/409415302.db2.gz	ARYULIQAWBFQRV-ZETCQYMHSA-N	-2	3	304.328	-1.465	20	0		DAADHL
Cn1cnc(S(=O)(=O)[N-]CC(=O)Nc2ccncc2[O-])c1	ZINC000345363998	263296080	/nfs/dbraw/zinc/29/60/80/263296080.db2.gz	XPSRCIWFZSWGMZ-UHFFFAOYSA-N	-2	3	311.323	-1.140	20	0		DAADHL
NC(=O)[C@H](CO)[N-]S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F	ZINC001195254923	782057254	/nfs/dbraw/zinc/05/72/54/782057254.db2.gz	PTJWQJOFVHIRJF-ZETCQYMHSA-N	-2	3	324.261	-1.213	20	0		DAADHL
CS(=O)(=O)c1ccccc1S(=O)(=O)[N-]C[C@H](O)C(=O)[O-]	ZINC000547933678	337310329	/nfs/dbraw/zinc/31/03/29/337310329.db2.gz	ZXSMUGFCWYVAFM-ZETCQYMHSA-N	-2	3	323.348	-1.186	20	0		DAADHL
O=C([O-])CNC(=O)COC(=O)CNC(=O)c1ccc([O-])cc1	ZINC000739812150	600164978	/nfs/dbraw/zinc/16/49/78/600164978.db2.gz	AMIKOJGVTKIWOV-UHFFFAOYSA-N	-2	3	310.262	-1.134	20	0		DAADHL
Cc1[nH]nc(S(=O)(=O)[N-]CC(=O)NCC(=O)[O-])c1C(=O)[O-]	ZINC000738829147	600231047	/nfs/dbraw/zinc/23/10/47/600231047.db2.gz	LPQUVOFCMDUAIP-UHFFFAOYSA-N	-3	3	320.283	-2.105	20	0		DAADHL
O=C([O-])c1ccc(S(=O)(=O)[N-]CCN2C(=O)CNC2=O)o1	ZINC000740176429	600651581	/nfs/dbraw/zinc/65/15/81/600651581.db2.gz	CGUOQTPKVNNMJH-UHFFFAOYSA-N	-2	3	317.279	-1.192	20	0		DAADHL
COC(=O)Cc1nc(NC(=O)COC2CN(C(=O)[O-])C2)n[n-]1	ZINC000828700355	604011198	/nfs/dbraw/zinc/01/11/98/604011198.db2.gz	TYHZFYDQKDZLFI-UHFFFAOYSA-N	-2	3	313.270	-1.163	20	0		DAADHL
Cn1cc(-c2nnn[n-]2)c([N-]S(=O)(=O)N2CCOCC2)n1	ZINC000822620472	607003237	/nfs/dbraw/zinc/00/32/37/607003237.db2.gz	SBYOFHHFNMWPEV-UHFFFAOYSA-N	-2	3	314.331	-1.411	20	0		DAADHL
Cn1cc(-c2nn[n-]n2)c([N-]S(=O)(=O)N2CCOCC2)n1	ZINC000822620472	607003238	/nfs/dbraw/zinc/00/32/38/607003238.db2.gz	SBYOFHHFNMWPEV-UHFFFAOYSA-N	-2	3	314.331	-1.411	20	0		DAADHL
COCCS(=O)(=O)[N-]C(=O)c1c[nH]c(-c2nnn[n-]2)c1	ZINC000826163449	663866190	/nfs/dbraw/zinc/86/61/90/663866190.db2.gz	VHIDTVWKJUQAMR-UHFFFAOYSA-N	-2	3	300.300	-1.099	20	0		DAADHL
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