smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([N-]N1CCCC1=O)C(F)(F)C(=O)NN1CCCC1=O	ZINC001332059392	917352109	/nfs/dbraw/zinc/35/21/09/917352109.db2.gz	BFXHJLCGZVCUBW-UHFFFAOYSA-N	-1	2	304.253	-1.071	20	0		DAADLM
C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1CN(C)CC[N@@H+]1C	ZINC001353883943	918162804	/nfs/dbraw/zinc/16/28/04/918162804.db2.gz	PTKXFISFUZNLBX-NEPJUHHUSA-N	-1	2	323.397	-1.323	20	0		DAADLM
C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@@H]1CN(C)CC[N@@H+]1C	ZINC001353883945	918163622	/nfs/dbraw/zinc/16/36/22/918163622.db2.gz	PTKXFISFUZNLBX-RYUDHWBXSA-N	-1	2	323.397	-1.323	20	0		DAADLM
CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C	ZINC001410845834	925788888	/nfs/dbraw/zinc/78/88/88/925788888.db2.gz	JNGNOLSZHVKXCY-WPRPVWTQSA-N	-1	2	310.358	-1.677	20	0		DAADLM
CN1CC[C@@H]([NH+]2CCC(NC(=O)CCc3nn[nH]n3)CC2)C1=O	ZINC001449173486	929560860	/nfs/dbraw/zinc/56/08/60/929560860.db2.gz	DGAAVOQLSFKFNH-LLVKDONJSA-N	-1	2	321.385	-1.056	20	0		DAADLM
O=C([O-])[C@@]1(O)CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001571097268	961185698	/nfs/dbraw/zinc/18/56/98/961185698.db2.gz	YHIQUONXSOIBCW-GFCCVEGCSA-N	-1	2	307.266	-1.881	20	0		DAADLM
O=C(CNC(=O)c1cc(=O)[nH]cn1)NCC[NH+]1CCOCC1	ZINC000625482982	372820935	/nfs/dbraw/zinc/82/09/35/372820935.db2.gz	WPORGCJMYCOGBI-UHFFFAOYSA-N	-1	2	309.326	-1.640	20	0		DAADLM
Cn1[nH]c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O	ZINC000563153306	333398102	/nfs/dbraw/zinc/39/81/02/333398102.db2.gz	PGDRBUWEQFJZMO-NSHDSACASA-N	-1	2	308.386	-1.248	20	0		DAADLM
COC(=O)C[C@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000831128162	600852802	/nfs/dbraw/zinc/85/28/02/600852802.db2.gz	DPGYHSWTOUZVJY-CRCLSJGQSA-N	-1	2	303.296	-1.325	20	0		DAADLM
COC(=O)CN(CC(=O)[O-])C(=O)C[C@H]1SC(=N)NC1=O	ZINC000831164351	600874489	/nfs/dbraw/zinc/87/44/89/600874489.db2.gz	LBPMHIYLLKGRRH-RXMQYKEDSA-N	-1	2	303.296	-1.371	20	0		DAADLM
O=C([O-])[C@@H]1COCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000833193257	601606055	/nfs/dbraw/zinc/60/60/55/601606055.db2.gz	GWXGYWFJDMSCPL-QMMMGPOBSA-N	-1	2	307.266	-1.617	20	0		DAADLM
O=C([O-])[C@H]1COCCN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000833193256	601606245	/nfs/dbraw/zinc/60/62/45/601606245.db2.gz	GWXGYWFJDMSCPL-MRVPVSSYSA-N	-1	2	307.266	-1.617	20	0		DAADLM
O=C([O-])N[C@@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000740587392	604485251	/nfs/dbraw/zinc/48/52/51/604485251.db2.gz	LISSRTGHNILDOO-SSDOTTSWSA-N	-1	2	306.282	-1.060	20	0		DAADLM
O=C(NCC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001031816013	663352850	/nfs/dbraw/zinc/35/28/50/663352850.db2.gz	TWPQRYBLQBXGTA-UHFFFAOYSA-N	-1	2	322.285	-2.032	20	0		DAADLM
Cc1[nH]nc(C(=O)N2C[C@@H](NC(=O)c3cn[nH]n3)[C@@H](O)C2)c1[O-]	ZINC000968694236	664482772	/nfs/dbraw/zinc/48/27/72/664482772.db2.gz	COVOIOKRTOFPEA-SFYZADRCSA-N	-1	2	321.297	-1.843	20	0		DAADLM
Cc1[nH]nc(C(=O)N2CC(O)(CNC(=O)c3cn[nH]n3)C2)c1[O-]	ZINC001043809242	678396185	/nfs/dbraw/zinc/39/61/85/678396185.db2.gz	CVJXKIQJXHTXFK-UHFFFAOYSA-N	-1	2	321.297	-1.841	20	0		DAADLM
Cn1[nH]c(C[NH2+]CCN(CCO)C(=O)c2cnco2)nc1=O	ZINC001272217772	775654084	/nfs/dbraw/zinc/65/40/84/775654084.db2.gz	AADYXDIVTVFWBK-UHFFFAOYSA-N	-1	2	310.314	-1.679	20	0		DAADLM
O=C(Cn1nccn1)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC001128268728	775939205	/nfs/dbraw/zinc/93/92/05/775939205.db2.gz	CPPSKANVBNQUKT-UHFFFAOYSA-N	-1	2	316.325	-1.480	20	0		DAADLM
CCN(C)C(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1	ZINC001219855309	780157824	/nfs/dbraw/zinc/15/78/24/780157824.db2.gz	WESGCGVLXHSECW-MNOVXSKESA-N	-1	2	323.353	-1.565	20	0		DAADLM
CC(C)NC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1	ZINC001219855109	780157847	/nfs/dbraw/zinc/15/78/47/780157847.db2.gz	MFBSVRQWKKTZCH-MNOVXSKESA-N	-1	2	323.353	-1.518	20	0		DAADLM
CCC[N@H+](C)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@@H]1O	ZINC001220828880	780251275	/nfs/dbraw/zinc/25/12/75/780251275.db2.gz	GSMCYFFYNYIUBO-ZJUUUORDSA-N	-1	2	312.374	-1.487	20	0		DAADLM
O=c1ncnc(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001229607038	780356984	/nfs/dbraw/zinc/35/69/84/780356984.db2.gz	PGSOGEMKPSGUDK-MRVPVSSYSA-N	-1	2	320.327	-1.455	20	0		DAADLM
O=c1[n-]c(O[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])n[nH]1	ZINC001231305659	780381648	/nfs/dbraw/zinc/38/16/48/780381648.db2.gz	SMLHAFDZBRMRLZ-ZETCQYMHSA-N	-1	2	308.316	-1.522	20	0		DAADLM
CNS(=O)(=O)c1ccc(O)c(NC(=O)Cc2nn[n-]n2)c1	ZINC001176842707	781624237	/nfs/dbraw/zinc/62/42/37/781624237.db2.gz	PPXVPQPBRQOBEC-UHFFFAOYSA-N	-1	2	312.311	-1.005	20	0		DAADLM
CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@@H]1CNC(=O)N1	ZINC001273581984	781843227	/nfs/dbraw/zinc/84/32/27/781843227.db2.gz	NTQCWLYDCDIDAL-QMMMGPOBSA-N	-1	2	311.346	-2.272	20	0		DAADLM
CCN(CC[NH2+]Cc1nc(=O)n(C)[nH]1)C(=O)[C@H]1CNC(=O)N1	ZINC001273581982	781845457	/nfs/dbraw/zinc/84/54/57/781845457.db2.gz	NTQCWLYDCDIDAL-MRVPVSSYSA-N	-1	2	311.346	-2.272	20	0		DAADLM
CC1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CN(C(=O)[O-])C1	ZINC001571091842	961110778	/nfs/dbraw/zinc/11/07/78/961110778.db2.gz	KWXWCVDJEQVELW-UHFFFAOYSA-N	-1	2	306.282	-1.060	20	0		DAADLM
O=C([O-])CNS(=O)(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1	ZINC000340447725	373227975	/nfs/dbraw/zinc/22/79/75/373227975.db2.gz	FDMNOBXQDUKIDZ-UHFFFAOYSA-N	-1	2	300.252	-1.201	20	0		DAADLM
C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@@H]2CCCCNC2=O)C1	ZINC000631733395	373694846	/nfs/dbraw/zinc/69/48/46/373694846.db2.gz	DFNJRQVBLOHHDA-GHMZBOCLSA-N	-1	2	305.400	-1.095	20	0		DAADLM
COC(=O)C[C@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000831128165	600852791	/nfs/dbraw/zinc/85/27/91/600852791.db2.gz	DPGYHSWTOUZVJY-WHFBIAKZSA-N	-1	2	303.296	-1.325	20	0		DAADLM
Cn1[nH]c(C[N@H+](C)[C@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nc1=O	ZINC000972693574	662460633	/nfs/dbraw/zinc/46/06/33/662460633.db2.gz	PDJZNAXZVDXDOC-VIFPVBQESA-N	-1	2	320.357	-1.498	20	0		DAADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)[N-]S(=O)(=O)CC(N)=O	ZINC000759646283	663809014	/nfs/dbraw/zinc/80/90/14/663809014.db2.gz	YVYYEASXONUHCI-UHFFFAOYSA-N	-1	2	319.261	-1.625	20	0		DAADLM
O=C(N[C@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015109726	664560658	/nfs/dbraw/zinc/56/06/58/664560658.db2.gz	LSKHFTOTJBGPFV-YFKPBYRVSA-N	-1	2	322.285	-1.889	20	0		DAADLM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCOC[C@@H]1c1nn[n-]n1	ZINC001302136905	778096252	/nfs/dbraw/zinc/09/62/52/778096252.db2.gz	HDSIXHQWMOTZFS-MRVPVSSYSA-N	-1	2	321.297	-1.960	20	0		DAADLM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCOC[C@H]1c1nn[n-]n1	ZINC001302136910	778097009	/nfs/dbraw/zinc/09/70/09/778097009.db2.gz	HDSIXHQWMOTZFS-QMMMGPOBSA-N	-1	2	321.297	-1.960	20	0		DAADLM
C[N@H+](CC(=O)N1CCOC[C@@H]1c1nn[nH]n1)[C@@H]1CCC[C@H]1O	ZINC001363509757	918809430	/nfs/dbraw/zinc/80/94/30/918809430.db2.gz	BGYDAPFIMRYJNT-GMTAPVOTSA-N	-1	2	310.358	-1.055	20	0		DAADLM
O=C([O-])[C@]1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOC1	ZINC001571149921	961784976	/nfs/dbraw/zinc/78/49/76/961784976.db2.gz	PSNASJQOMQNZCF-ZDUSSCGKSA-N	-1	2	321.293	-1.321	20	0		DAADLM
O=C([O-])[C@@]1(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOC1	ZINC001571149920	961785010	/nfs/dbraw/zinc/78/50/10/961785010.db2.gz	PSNASJQOMQNZCF-CYBMUJFWSA-N	-1	2	321.293	-1.321	20	0		DAADLM
C[C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C[C@@H](C(=O)[O-])O1	ZINC001599918405	985093457	/nfs/dbraw/zinc/09/34/57/985093457.db2.gz	HZNUEQZESLOVJH-CBAPKCEASA-N	-1	2	321.293	-1.228	20	0		DAADLM
C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ncc[nH]2)CC1	ZINC000312626975	409639770	/nfs/dbraw/zinc/63/97/70/409639770.db2.gz	VQCVMLPRKULBNN-UHFFFAOYSA-N	-1	2	301.372	-1.196	20	0		DAADLM
O=C(C[C@@H]1NC(=O)NC1=O)N1CCC[C@@H]1C[NH+]1CCOCC1	ZINC000370271442	263253315	/nfs/dbraw/zinc/25/33/15/263253315.db2.gz	ULQAEDYYBSSRQS-MNOVXSKESA-N	-1	2	310.354	-1.092	20	0		DAADLM
CCS(=O)(=O)NCC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000408402492	263278320	/nfs/dbraw/zinc/27/83/20/263278320.db2.gz	NMGUGUWTUZXVCG-NSHDSACASA-N	-1	2	304.372	-1.400	20	0		DAADLM
O=C([O-])[C@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCO1	ZINC000738546614	597378934	/nfs/dbraw/zinc/37/89/34/597378934.db2.gz	KPOIGJVSCOYSIC-MRVPVSSYSA-N	-1	2	307.266	-1.617	20	0		DAADLM
COC(=O)C[C@@H](NC(=O)C[C@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000831128163	600852709	/nfs/dbraw/zinc/85/27/09/600852709.db2.gz	DPGYHSWTOUZVJY-RFZPGFLSSA-N	-1	2	303.296	-1.325	20	0		DAADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000831065196	600852777	/nfs/dbraw/zinc/85/27/77/600852777.db2.gz	BGGBNNIVTJOAPV-RFZPGFLSSA-N	-1	2	303.296	-1.325	20	0		DAADLM
COC(=O)C[C@@H](NC(=O)C[C@@H]1SC(=N)NC1=O)C(=O)[O-]	ZINC000831128164	600852821	/nfs/dbraw/zinc/85/28/21/600852821.db2.gz	DPGYHSWTOUZVJY-UHNVWZDZSA-N	-1	2	303.296	-1.325	20	0		DAADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])S1	ZINC000833087646	600859543	/nfs/dbraw/zinc/85/95/43/600859543.db2.gz	BQBUVBDEUQVDEV-NTSWFWBYSA-N	-1	2	314.323	-1.655	20	0		DAADLM
Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@H]2O)c1[O-]	ZINC001076890443	677765927	/nfs/dbraw/zinc/76/59/27/677765927.db2.gz	ZWCFPPVVXOZLLR-RNFRBKRXSA-N	-1	2	323.313	-1.777	20	0		DAADLM
CN(C(=O)c1n[nH]c(=O)[n-]c1=O)C1CN(Cc2n[nH]c(=O)[nH]2)C1	ZINC001043231041	678373675	/nfs/dbraw/zinc/37/36/75/678373675.db2.gz	OFPBQJWHARSXMH-UHFFFAOYSA-N	-1	2	322.285	-1.937	20	0		DAADLM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCC(c2nn[n-]n2)CC1	ZINC001302752687	778096185	/nfs/dbraw/zinc/09/61/85/778096185.db2.gz	CBNYCYQOPRFLNW-UHFFFAOYSA-N	-1	2	319.325	-1.154	20	0		DAADLM
CCOC(=O)c1ncc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cn1	ZINC001218756994	780041389	/nfs/dbraw/zinc/04/13/89/780041389.db2.gz	MBGZEVOBILVNEK-ZETCQYMHSA-N	-1	2	306.286	-1.325	20	0		DAADLM
C[N@H+](CC(=O)N1CCOC[C@H]1c1nn[nH]n1)[C@@H]1CCC[C@H]1O	ZINC001363509761	918809818	/nfs/dbraw/zinc/80/98/18/918809818.db2.gz	BGYDAPFIMRYJNT-OUAUKWLOSA-N	-1	2	310.358	-1.055	20	0		DAADLM
CC(=O)NCC(=O)N1C[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C	ZINC001410845829	925788531	/nfs/dbraw/zinc/78/85/31/925788531.db2.gz	JNGNOLSZHVKXCY-SCZZXKLOSA-N	-1	2	310.358	-1.677	20	0		DAADLM
C[C@@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573756265	948804456	/nfs/dbraw/zinc/80/44/56/948804456.db2.gz	YKKZHYGEEPIQFV-YUMQZZPRSA-N	-1	2	318.341	-1.127	20	0		DAADLM
C[C@@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573756265	948804477	/nfs/dbraw/zinc/80/44/77/948804477.db2.gz	YKKZHYGEEPIQFV-YUMQZZPRSA-N	-1	2	318.341	-1.127	20	0		DAADLM
O=C([O-])[C@]1(O)CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC001571097269	961186492	/nfs/dbraw/zinc/18/64/92/961186492.db2.gz	YHIQUONXSOIBCW-LBPRGKRZSA-N	-1	2	307.266	-1.881	20	0		DAADLM
C[C@@](O)(CNS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001573581212	969819882	/nfs/dbraw/zinc/81/98/82/969819882.db2.gz	JEJOHCFBYACGRG-MRVPVSSYSA-N	-1	2	300.358	-1.082	20	0		DAADLM
C[C@](O)(CNS(=O)(=O)N=S1(=O)CCCC1)C(=O)[O-]	ZINC001573581213	969820135	/nfs/dbraw/zinc/82/01/35/969820135.db2.gz	JEJOHCFBYACGRG-QMMMGPOBSA-N	-1	2	300.358	-1.082	20	0		DAADLM
CN(C)S(=O)(=O)CCS(=O)(=O)NCC(F)(F)C(=O)[O-]	ZINC001598261460	991090309	/nfs/dbraw/zinc/09/03/09/991090309.db2.gz	CBXPWSWUVGIQJJ-UHFFFAOYSA-N	-1	2	324.327	-1.483	20	0		DAADLM
COCCCNC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O	ZINC001599225656	997754424	/nfs/dbraw/zinc/75/44/24/997754424.db2.gz	OUGICCIKGPRNMJ-LURJTMIESA-N	-1	2	319.314	-1.180	20	0		DAADLM
CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O	ZINC000434788016	263287317	/nfs/dbraw/zinc/28/73/17/263287317.db2.gz	STQVULZUKVSHTA-OQPBUACISA-N	-1	2	311.342	-1.105	20	0		DAADLM
O=C([O-])CNC(=O)COC(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000821531555	597843018	/nfs/dbraw/zinc/84/30/18/597843018.db2.gz	KVNNJKAPWKZLLN-UHFFFAOYSA-N	-1	2	309.238	-2.185	20	0		DAADLM
Cn1c(=O)c(-c2nnn[n-]2)c(NCc2nn[nH]n2)n(C)c1=O	ZINC000737596414	598628620	/nfs/dbraw/zinc/62/86/20/598628620.db2.gz	NIBKPKOSSNRXAM-UHFFFAOYSA-N	-1	2	305.262	-2.611	20	0		DAADLM
COCCN(CC(=O)[O-])C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000737770244	600420677	/nfs/dbraw/zinc/42/06/77/600420677.db2.gz	UYPBQIWLDBQHEG-UHFFFAOYSA-N	-1	2	309.282	-1.369	20	0		DAADLM
COC(=O)[C@@H](CC(=O)[O-])NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000831065197	600852693	/nfs/dbraw/zinc/85/26/93/600852693.db2.gz	BGGBNNIVTJOAPV-UHNVWZDZSA-N	-1	2	303.296	-1.325	20	0		DAADLM
N=C1NC(=O)[C@H](CC(=O)N2CCNC(=O)[C@@H]2CC(=O)[O-])S1	ZINC000833087653	600859477	/nfs/dbraw/zinc/85/94/77/600859477.db2.gz	BQBUVBDEUQVDEV-WDSKDSINSA-N	-1	2	314.323	-1.655	20	0		DAADLM
COC(=O)CN(CC(=O)[O-])C(=O)C[C@@H]1SC(=N)NC1=O	ZINC000831164352	600874398	/nfs/dbraw/zinc/87/43/98/600874398.db2.gz	LBPMHIYLLKGRRH-YFKPBYRVSA-N	-1	2	303.296	-1.371	20	0		DAADLM
O=C([O-])N1CC(CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000834012122	605754401	/nfs/dbraw/zinc/75/44/01/605754401.db2.gz	ILCCNFIXUTXALD-UHFFFAOYSA-N	-1	2	306.282	-1.203	20	0		DAADLM
CC(C)[C@H](NC(=O)[O-])C(=O)NCC(=O)OCc1n[nH]c(=O)[nH]1	ZINC000833797891	605955581	/nfs/dbraw/zinc/95/55/81/605955581.db2.gz	LSJOZDCMIUFLGF-QMMMGPOBSA-N	-1	2	315.286	-1.038	20	0		DAADLM
CCC(=O)N[C@@H](C)C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001266708118	775172239	/nfs/dbraw/zinc/17/22/39/775172239.db2.gz	BZGZWXWQTKLFAO-VIFPVBQESA-N	-1	2	312.374	-1.429	20	0		DAADLM
[NH3+]Cc1nc(=O)[nH]n1-c1ccc(C(=O)N2CCNC(=O)C2)cn1	ZINC001168760335	776054294	/nfs/dbraw/zinc/05/42/94/776054294.db2.gz	HDUIGDRFVYSXAW-UHFFFAOYSA-N	-1	2	317.309	-1.601	20	0		DAADLM
Cn1[nH]c(C[NH2+]CCNC(=O)c2ccoc2CC(N)=O)nc1=O	ZINC001132946857	776647484	/nfs/dbraw/zinc/64/74/84/776647484.db2.gz	BCYMRDRAWUOKDZ-UHFFFAOYSA-N	-1	2	322.325	-1.751	20	0		DAADLM
COC(=O)C[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cccnc1	ZINC001220527106	780222525	/nfs/dbraw/zinc/22/25/25/780222525.db2.gz	DUTGKVUBYWWNNK-UWVGGRQHSA-N	-1	2	319.325	-1.115	20	0		DAADLM
Cc1nc(C(=O)N(CCO)CC[NH2+]Cc2nc(=O)n(C)[nH]2)c[nH]1	ZINC001279672211	780623906	/nfs/dbraw/zinc/62/39/06/780623906.db2.gz	GJJUJNRDUQFZII-UHFFFAOYSA-N	-1	2	323.357	-1.636	20	0		DAADLM
Cn1[nH]c(CNCCNC(=O)[C@H]2CCc3n[nH]cc3C2)nc1=O	ZINC001147671936	781453743	/nfs/dbraw/zinc/45/37/43/781453743.db2.gz	YSVBNOSMZAKHGW-VIFPVBQESA-N	-1	2	319.369	-1.158	20	0		DAADLM
C[C@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1CN(C)CC[N@@H+]1C	ZINC001353883944	918161794	/nfs/dbraw/zinc/16/17/94/918161794.db2.gz	PTKXFISFUZNLBX-NWDGAFQWSA-N	-1	2	323.397	-1.323	20	0		DAADLM
CNC(=O)[C@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1	ZINC001364345022	918993435	/nfs/dbraw/zinc/99/34/35/918993435.db2.gz	KPPIKZTWMQCVOZ-QMMMGPOBSA-N	-1	2	305.342	-1.042	20	0		DAADLM
C[C@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001410431126	925718962	/nfs/dbraw/zinc/71/89/62/925718962.db2.gz	ZSNQPIMKILFGGV-ZJUUUORDSA-N	-1	2	324.385	-1.334	20	0		DAADLM
CS(=O)(=O)N1CCN(CC(=O)NOCCCC(=O)[O-])CC1	ZINC001599756946	992066834	/nfs/dbraw/zinc/06/68/34/992066834.db2.gz	YVGRZMNQJAHHGF-UHFFFAOYSA-N	-1	2	323.371	-1.524	20	0		DAADLM
COCCCNC(=C(F)C(=O)[O-])c1c(O)[nH]c(=S)[nH]c1=O	ZINC001599225657	997754177	/nfs/dbraw/zinc/75/41/77/997754177.db2.gz	OUGICCIKGPRNMJ-ZCFIWIBFSA-N	-1	2	319.314	-1.180	20	0		DAADLM
C[N@H+]1CCO[C@@H](CS(=O)(=O)N[C@H]2CCCCNC2=O)C1	ZINC000631733396	373695924	/nfs/dbraw/zinc/69/59/24/373695924.db2.gz	DFNJRQVBLOHHDA-MNOVXSKESA-N	-1	2	305.400	-1.095	20	0		DAADLM
CS(=O)(=O)N1CC[NH+](CCCOC(=O)NC(N)=O)CC1	ZINC000494057541	263250733	/nfs/dbraw/zinc/25/07/33/263250733.db2.gz	DNIKQQJWPQIECG-UHFFFAOYSA-N	-1	2	308.360	-1.241	20	0		DAADLM
CNS(=O)(=O)CCNC(=O)c1c[nH]c2c(cnn2C)c1=O	ZINC000440162276	263256986	/nfs/dbraw/zinc/25/69/86/263256986.db2.gz	PWEPHFQWKFVEOD-UHFFFAOYSA-N	-1	2	313.339	-1.047	20	0		DAADLM
Cn1[nH]c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1=O	ZINC000563153305	333398240	/nfs/dbraw/zinc/39/82/40/333398240.db2.gz	PGDRBUWEQFJZMO-LLVKDONJSA-N	-1	2	308.386	-1.248	20	0		DAADLM
COC(=O)CN(CC(=O)[O-])C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC000737610784	600007525	/nfs/dbraw/zinc/00/75/25/600007525.db2.gz	NRSNYJCXRJXKLO-UHFFFAOYSA-N	-1	2	323.265	-1.843	20	0		DAADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C[C@H]1SC(=N)NC1=O	ZINC000831065195	600852671	/nfs/dbraw/zinc/85/26/71/600852671.db2.gz	BGGBNNIVTJOAPV-CRCLSJGQSA-N	-1	2	303.296	-1.325	20	0		DAADLM
N=C1NC(=O)[C@H](CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])S1	ZINC000833087652	600859279	/nfs/dbraw/zinc/85/92/79/600859279.db2.gz	BQBUVBDEUQVDEV-RITPCOANSA-N	-1	2	314.323	-1.655	20	0		DAADLM
O=C([O-])N1CC[C@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000740388616	602475833	/nfs/dbraw/zinc/47/58/33/602475833.db2.gz	UIXZVYYYTQLPDC-ZETCQYMHSA-N	-1	2	306.282	-1.060	20	0		DAADLM
O=C([O-])N1CC[C@@H](NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000740388613	602475982	/nfs/dbraw/zinc/47/59/82/602475982.db2.gz	UIXZVYYYTQLPDC-SSDOTTSWSA-N	-1	2	306.282	-1.060	20	0		DAADLM
NC(=O)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cc(=O)n3[nH]ccc3n2)C1	ZINC001020534050	662317359	/nfs/dbraw/zinc/31/73/59/662317359.db2.gz	UMCIZDXGSQAQDF-ZKCHVHJHSA-N	-1	2	304.310	-1.755	20	0		DAADLM
NC(=O)C(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000969467326	662318132	/nfs/dbraw/zinc/31/81/32/662318132.db2.gz	YVGAPPUZEIHWNW-OLQVQODUSA-N	-1	2	322.281	-2.417	20	0		DAADLM
Cn1[nH]c(C[N@H+](C)[C@@H]2CCN(C(=O)Cc3nnc[nH]3)C2)nc1=O	ZINC000972693573	662460725	/nfs/dbraw/zinc/46/07/25/662460725.db2.gz	PDJZNAXZVDXDOC-SECBINFHSA-N	-1	2	320.357	-1.498	20	0		DAADLM
Cc1[nH]nc(C(=O)N2C[C@@H](O)[C@H](NC(=O)c3cn[nH]n3)C2)c1[O-]	ZINC001024544625	662475695	/nfs/dbraw/zinc/47/56/95/662475695.db2.gz	COVOIOKRTOFPEA-HTQZYQBOSA-N	-1	2	321.297	-1.843	20	0		DAADLM
O=C(NC[C@@H]1CCN1Cc1n[nH]c(=O)[nH]1)c1n[nH]c(=O)[n-]c1=O	ZINC001038465543	662713724	/nfs/dbraw/zinc/71/37/24/662713724.db2.gz	MAAISZBHVWZOPX-YFKPBYRVSA-N	-1	2	322.285	-1.889	20	0		DAADLM
O=C(NC[C@H]1CCN1Cc1n[nH]c(=O)[nH]1)c1n[nH]c(=O)[n-]c1=O	ZINC001038465542	662713881	/nfs/dbraw/zinc/71/38/81/662713881.db2.gz	MAAISZBHVWZOPX-RXMQYKEDSA-N	-1	2	322.285	-1.889	20	0		DAADLM
CN1C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O	ZINC000968844596	664487097	/nfs/dbraw/zinc/48/70/97/664487097.db2.gz	FBYZXOYQHOKLBP-NXEZZACHSA-N	-1	2	322.369	-1.723	20	0		DAADLM
Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@H]3CCCNC3=O)C2)nc1=O	ZINC000968994538	664489308	/nfs/dbraw/zinc/48/93/08/664489308.db2.gz	NLYAFRGUGYMYPF-ZJUUUORDSA-N	-1	2	322.369	-1.675	20	0		DAADLM
Cn1[nH]c(C[NH2+][C@@H]2CCN(C(=O)[C@@H]3CCCNC3=O)C2)nc1=O	ZINC000968994537	664489388	/nfs/dbraw/zinc/48/93/88/664489388.db2.gz	NLYAFRGUGYMYPF-NXEZZACHSA-N	-1	2	322.369	-1.675	20	0		DAADLM
O=C(N[C@@H]1CCN(Cc2n[nH]c(=O)[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001015109725	664560616	/nfs/dbraw/zinc/56/06/16/664560616.db2.gz	LSKHFTOTJBGPFV-RXMQYKEDSA-N	-1	2	322.285	-1.889	20	0		DAADLM
CO[C@@H]1C[N@@H+](CCO)C[C@H]1NC(=O)c1cc(=O)n2[nH]cnc2n1	ZINC001082325472	678115163	/nfs/dbraw/zinc/11/51/63/678115163.db2.gz	LBIFGXAARDYASN-NXEZZACHSA-N	-1	2	322.325	-2.161	20	0		DAADLM
CCC(=O)N[C@H](C)C(=O)N(C)CC[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001266708117	775172131	/nfs/dbraw/zinc/17/21/31/775172131.db2.gz	BZGZWXWQTKLFAO-SECBINFHSA-N	-1	2	312.374	-1.429	20	0		DAADLM
COc1nc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(C)c(OC)n1	ZINC001218768632	780041064	/nfs/dbraw/zinc/04/10/64/780041064.db2.gz	QZBWPZOWGMRWAK-LURJTMIESA-N	-1	2	308.302	-1.176	20	0		DAADLM
O=c1[n-]c(O[C@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])n[nH]1	ZINC001231305658	780381543	/nfs/dbraw/zinc/38/15/43/780381543.db2.gz	SMLHAFDZBRMRLZ-SSDOTTSWSA-N	-1	2	308.316	-1.522	20	0		DAADLM
Cn1[nH]c(C[N@@H+](C)CCCNC(=O)[C@H]2COCCO2)nc1=O	ZINC001234226097	780404223	/nfs/dbraw/zinc/40/42/23/780404223.db2.gz	VJBNCHWWHDUSJX-SNVBAGLBSA-N	-1	2	313.358	-1.538	20	0		DAADLM
Cn1[nH]c(C[N@@H+](C)CCCNC(=O)[C@H]2CCC(=O)N2)nc1=O	ZINC001235730843	780417829	/nfs/dbraw/zinc/41/78/29/780417829.db2.gz	VQULYMQKUPGJMG-SECBINFHSA-N	-1	2	310.358	-1.675	20	0		DAADLM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[C@@H](c2nn[n-]n2)C1	ZINC001319814854	916449790	/nfs/dbraw/zinc/44/97/90/916449790.db2.gz	UQOWNMOQMFDJBB-SECBINFHSA-N	-1	2	319.325	-1.154	20	0		DAADLM
C[C@@H](NC(=O)CCn1cc[nH]c(=O)c1=O)[C@H]1CN(C)CC[N@@H+]1C	ZINC001353883946	918163434	/nfs/dbraw/zinc/16/34/34/918163434.db2.gz	PTKXFISFUZNLBX-VXGBXAGGSA-N	-1	2	323.397	-1.323	20	0		DAADLM
CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@H]1C	ZINC001410845827	925788297	/nfs/dbraw/zinc/78/82/97/925788297.db2.gz	JNGNOLSZHVKXCY-PSASIEDQSA-N	-1	2	310.358	-1.677	20	0		DAADLM
C[C@H](C(N)=O)[N@@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573756264	948805818	/nfs/dbraw/zinc/80/58/18/948805818.db2.gz	YKKZHYGEEPIQFV-SFYZADRCSA-N	-1	2	318.341	-1.127	20	0		DAADLM
C[C@H](C(N)=O)[N@H+]1CC[C@H](NC(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1	ZINC001573756264	948805834	/nfs/dbraw/zinc/80/58/34/948805834.db2.gz	YKKZHYGEEPIQFV-SFYZADRCSA-N	-1	2	318.341	-1.127	20	0		DAADLM
CC[NH+](CC)CC(=O)N[C@@H]1CN(Cc2n[nH]c(=O)[nH]2)C[C@H]1O	ZINC001197057389	782121528	/nfs/dbraw/zinc/12/15/28/782121528.db2.gz	AHSBERGFZBBJCO-NXEZZACHSA-N	-1	2	312.374	-1.487	20	0		DAADLM
COC(=O)[C@H](CC(=O)[O-])NC(=O)C[C@@H]1SC(=N)NC1=O	ZINC000831065198	600852646	/nfs/dbraw/zinc/85/26/46/600852646.db2.gz	BGGBNNIVTJOAPV-WHFBIAKZSA-N	-1	2	303.296	-1.325	20	0		DAADLM
O=C([O-])NCC(=O)NCC(=O)NCCCc1n[nH]c(=O)[nH]1	ZINC000834196015	605400429	/nfs/dbraw/zinc/40/04/29/605400429.db2.gz	HPFCKNFVUMISMI-UHFFFAOYSA-N	-1	2	300.275	-2.057	20	0		DAADLM
Cn1cncc1C(=O)N1CC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1	ZINC000969223714	662309120	/nfs/dbraw/zinc/30/91/20/662309120.db2.gz	ZVJIFDXJKXPBOM-SECBINFHSA-N	-1	2	305.342	-1.154	20	0		DAADLM
Cc1n[nH]c(C(=O)N[C@@H]2CN(Cc3n[nH]c(=O)[nH]3)C[C@@H]2O)c1[O-]	ZINC001083410933	677695807	/nfs/dbraw/zinc/69/58/07/677695807.db2.gz	ZWCFPPVVXOZLLR-RQJHMYQMSA-N	-1	2	323.313	-1.777	20	0		DAADLM
Cc1[nH]nc(C(=O)N(CCO)CCNC(=O)c2cn[nH]n2)c1[O-]	ZINC001057355818	678711672	/nfs/dbraw/zinc/71/16/72/678711672.db2.gz	HKTXDPDQODJDLY-UHFFFAOYSA-N	-1	2	323.313	-1.594	20	0		DAADLM
Cn1ccc(CCC(=O)NCC[NH2+]Cc2nc(=O)n(C)[nH]2)n1	ZINC001128464781	775949290	/nfs/dbraw/zinc/94/92/90/775949290.db2.gz	UGLJBTBJIXHRFS-UHFFFAOYSA-N	-1	2	307.358	-1.320	20	0		DAADLM
CNC(=O)C[NH2+]CCNC(=O)C(C)(C)NC(=O)C(F)(F)F	ZINC001152054158	779685140	/nfs/dbraw/zinc/68/51/40/779685140.db2.gz	SEADTXYBPBLNJR-UHFFFAOYSA-N	-1	2	312.292	-1.105	20	0		DAADLM
COC(=O)c1ccc(OC)nc1NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1	ZINC001218790436	780040518	/nfs/dbraw/zinc/04/05/18/780040518.db2.gz	IZIUDEPHRQHQAX-ZETCQYMHSA-N	-1	2	321.297	-1.102	20	0		DAADLM
CCc1c(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)c(C(N)=O)nn1C	ZINC001218788034	780041444	/nfs/dbraw/zinc/04/14/44/780041444.db2.gz	JJMXAOQRJNPMIY-YFKPBYRVSA-N	-1	2	307.318	-1.897	20	0		DAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1ccc2[nH]c(=O)cnc2c1	ZINC001219438775	780097415	/nfs/dbraw/zinc/09/74/15/780097415.db2.gz	VCUJFQLWXCZXRT-ZETCQYMHSA-N	-1	2	300.282	-1.055	20	0		DAADLM
[NH3+][C@@H](Cc1nn[nH]n1)C(=O)Nc1cc(=O)[nH]c(=O)n1C1CC1	ZINC001220063912	780173292	/nfs/dbraw/zinc/17/32/92/780173292.db2.gz	JNFANOCLJKDJJT-LURJTMIESA-N	-1	2	306.286	-1.695	20	0		DAADLM
Cn1[nH]c(CNCCNC(=O)[C@@H]2CCc3n[nH]cc3C2)nc1=O	ZINC001147671933	781453257	/nfs/dbraw/zinc/45/32/57/781453257.db2.gz	YSVBNOSMZAKHGW-SECBINFHSA-N	-1	2	319.369	-1.158	20	0		DAADLM
O=C([O-])C(=O)N1CCN(Cc2cc(=O)n3[nH]ccc3n2)CC1	ZINC001328606353	917098043	/nfs/dbraw/zinc/09/80/43/917098043.db2.gz	INTFDSIALPQVSY-UHFFFAOYSA-N	-1	2	305.294	-1.249	20	0		DAADLM
C[C@@H](CN(C)C(=O)[C@@H]1CCC(=O)N1C)[NH2+]Cc1nc(=O)n(C)[nH]1	ZINC001410431113	925718179	/nfs/dbraw/zinc/71/81/79/925718179.db2.gz	ZSNQPIMKILFGGV-UWVGGRQHSA-N	-1	2	324.385	-1.334	20	0		DAADLM
O=C([O-])C1(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCOCC1	ZINC001594714446	956909371	/nfs/dbraw/zinc/90/93/71/956909371.db2.gz	HCYBTVYAAFVWPH-UHFFFAOYSA-N	-1	2	321.293	-1.179	20	0		DAADLM
O=C([O-])Cn1cc(NC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cn1	ZINC001606339709	973773903	/nfs/dbraw/zinc/77/39/03/973773903.db2.gz	YCDSOWJZLXQFOJ-UHFFFAOYSA-N	-1	2	317.265	-1.009	20	0		DAADLM
CC(C)(NC(=O)C(F)(F)F)C(=O)NCC(=O)NCC(=O)[O-]	ZINC001590839937	990702021	/nfs/dbraw/zinc/70/20/21/990702021.db2.gz	IDAFQYGYJXQAFL-UHFFFAOYSA-N	-1	2	313.232	-1.240	20	0		DAADLM
COCC[C@@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC001599212330	997523476	/nfs/dbraw/zinc/52/34/76/997523476.db2.gz	LJMZKUTWAIJCRJ-MRVPVSSYSA-N	-1	2	309.282	-1.323	20	0		DAADLM
COCC(COC)S(=O)(=O)NC[C@H]1C[N@H+](C)CCN1C	ZINC000641327037	373421936	/nfs/dbraw/zinc/42/19/36/373421936.db2.gz	MFZYRTITJSKNOG-NSHDSACASA-N	-1	2	309.432	-1.187	20	0		DAADLM
NC(=O)NC(=O)OCCC[N@H+]1CCN2C(=O)C(=O)NC[C@@H]2C1	ZINC000494487381	263219242	/nfs/dbraw/zinc/21/92/42/263219242.db2.gz	UHAUGRPOQIXGIR-MRVPVSSYSA-N	-1	2	313.314	-2.176	20	0		DAADLM
C[C@@H]1C[C@@H]([NH+]2CCOCC2)CN1C(=O)CN1CC(=O)NC1=O	ZINC000376175421	263222200	/nfs/dbraw/zinc/22/22/00/263222200.db2.gz	TYQQVLSUISSBDA-GHMZBOCLSA-N	-1	2	310.354	-1.140	20	0		DAADLM
C[N@H+]1C2(CCC2)COC[C@]1(CO)CNS(=O)(=O)C1COC1	ZINC000528480507	263228554	/nfs/dbraw/zinc/22/85/54/263228554.db2.gz	FJSRMJABZAOYGQ-CYBMUJFWSA-N	-1	2	320.411	-1.080	20	0		DAADLM
O=C([O-])[C@@H]1CN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CCO1	ZINC000738546615	597378658	/nfs/dbraw/zinc/37/86/58/597378658.db2.gz	KPOIGJVSCOYSIC-QMMMGPOBSA-N	-1	2	307.266	-1.617	20	0		DAADLM
N=C1NC(=O)[C@@H](CC(=O)N2CCNC(=O)[C@H]2CC(=O)[O-])S1	ZINC000833087650	600859301	/nfs/dbraw/zinc/85/93/01/600859301.db2.gz	BQBUVBDEUQVDEV-PHDIDXHHSA-N	-1	2	314.323	-1.655	20	0		DAADLM
O=C([O-])N1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)CC1	ZINC000738647328	602495280	/nfs/dbraw/zinc/49/52/80/602495280.db2.gz	ISQFUMXNDZHOFQ-UHFFFAOYSA-N	-1	2	306.282	-1.107	20	0		DAADLM
O=C([O-])N[C@H]1CCN(C(=O)Cn2[nH]cc3c(=O)ncnc2-3)C1	ZINC000740587393	605139835	/nfs/dbraw/zinc/13/98/35/605139835.db2.gz	LISSRTGHNILDOO-ZETCQYMHSA-N	-1	2	306.282	-1.060	20	0		DAADLM
COCC(=O)N1C[C@H]2CC[C@@H](C1)N2C(=O)c1n[nH]c(=O)[n-]c1=O	ZINC000969466282	662318511	/nfs/dbraw/zinc/31/85/11/662318511.db2.gz	OGNZGCDXBGEISO-OCAPTIKFSA-N	-1	2	323.309	-1.255	20	0		DAADLM
O=C(c1n[nH]c(=O)[n-]c1=O)N1CCN(Cc2n[nH]c(=O)[nH]2)CC1	ZINC000949110989	664027926	/nfs/dbraw/zinc/02/79/26/664027926.db2.gz	BCPJPLYMTUAVJI-UHFFFAOYSA-N	-1	2	322.285	-1.936	20	0		DAADLM
CN1C[C@@H](C(=O)N2CC[C@@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1=O	ZINC000968844597	664486860	/nfs/dbraw/zinc/48/68/60/664486860.db2.gz	FBYZXOYQHOKLBP-VHSXEESVSA-N	-1	2	322.369	-1.723	20	0		DAADLM
CCC(=O)NCC(=O)NCC[NH2+]Cc1cc(=O)n2[nH]ccc2n1	ZINC001124857122	775831981	/nfs/dbraw/zinc/83/19/81/775831981.db2.gz	WHAUKVKRMDWSBO-UHFFFAOYSA-N	-1	2	320.353	-1.245	20	0		DAADLM
CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)c2cnc[nH]c2=O)[C@@H](O)C1	ZINC001219855196	780157742	/nfs/dbraw/zinc/15/77/42/780157742.db2.gz	PVYQAAVUUIUVHC-ZJUUUORDSA-N	-1	2	309.326	-1.907	20	0		DAADLM
O=c1ncnc(O[C@@H](C[NH+]2CCOCC2)CS(=O)(=O)[O-])[n-]1	ZINC001229607040	780356702	/nfs/dbraw/zinc/35/67/02/780356702.db2.gz	PGSOGEMKPSGUDK-QMMMGPOBSA-N	-1	2	320.327	-1.455	20	0		DAADLM
O=C(CCn1cc[nH]c(=O)c1=O)N1CCC[C@H](c2nn[n-]n2)C1	ZINC001319814856	916453356	/nfs/dbraw/zinc/45/33/56/916453356.db2.gz	UQOWNMOQMFDJBB-VIFPVBQESA-N	-1	2	319.325	-1.154	20	0		DAADLM
CNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(=O)n3[nH]c(N)nc3n2)C1	ZINC001364345008	918992646	/nfs/dbraw/zinc/99/26/46/918992646.db2.gz	KPPIKZTWMQCVOZ-MRVPVSSYSA-N	-1	2	305.342	-1.042	20	0		DAADLM
CC(=O)NCC(=O)N1C[C@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C[C@@H]1C	ZINC001410845831	925788247	/nfs/dbraw/zinc/78/82/47/925788247.db2.gz	JNGNOLSZHVKXCY-WCBMZHEXSA-N	-1	2	310.358	-1.677	20	0		DAADLM
CN1CC[C@H]([NH+]2CCC(NC(=O)CCc3nn[nH]n3)CC2)C1=O	ZINC001449173490	929561919	/nfs/dbraw/zinc/56/19/19/929561919.db2.gz	DGAAVOQLSFKFNH-NSHDSACASA-N	-1	2	321.385	-1.056	20	0		DAADLM
O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)Cn1[nH]cc2c(=O)ncnc1-2	ZINC001571096817	961177451	/nfs/dbraw/zinc/17/74/51/961177451.db2.gz	SVNNTFVMJIRSNU-SVRRBLITSA-N	-1	2	307.266	-1.882	20	0		DAADLM
CNS(=O)(=O)CCCS(=O)(=O)c1nc(C(=O)[O-])c[nH]1	ZINC001598672433	994781071	/nfs/dbraw/zinc/78/10/71/994781071.db2.gz	RXLIHGORNSFOJM-UHFFFAOYSA-N	-1	2	311.341	-1.179	20	0		DAADLM
COCC[C@H](NC(=O)Cn1[nH]cc2c(=O)ncnc1-2)C(=O)[O-]	ZINC001599212333	997523452	/nfs/dbraw/zinc/52/34/52/997523452.db2.gz	LJMZKUTWAIJCRJ-QMMMGPOBSA-N	-1	2	309.282	-1.323	20	0		DAADLM
C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)C[C@@H]1NC(=O)NC1=O	ZINC000367731575	373000333	/nfs/dbraw/zinc/00/03/33/373000333.db2.gz	WVAWAGFINAVAIA-VWYCJHECSA-N	-1	2	310.354	-1.094	20	0		DAADLM
COCC(COC)S(=O)(=O)NC[C@@H]1C[N@H+](C)CCN1C	ZINC000641327036	373422419	/nfs/dbraw/zinc/42/24/19/373422419.db2.gz	MFZYRTITJSKNOG-LLVKDONJSA-N	-1	2	309.432	-1.187	20	0		DAADLM
C[N@H+]1CCO[C@H](CS(=O)(=O)N[C@H]2CCCCNC2=O)C1	ZINC000631733397	373695440	/nfs/dbraw/zinc/69/54/40/373695440.db2.gz	DFNJRQVBLOHHDA-QWRGUYRKSA-N	-1	2	305.400	-1.095	20	0		DAADLM
O=C(NC1CN(Cc2n[nH]c(=O)[nH]2)C1)c1n[nH]c(=O)[n-]c1=O	ZINC001030616764	663207411	/nfs/dbraw/zinc/20/74/11/663207411.db2.gz	HQBIXJWFFOTLCR-UHFFFAOYSA-N	-1	2	308.258	-2.279	20	0		DAADLM
C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H]([NH2+]Cc3n[nH]c(=O)[n-]3)C2)O1	ZINC000969071730	664489696	/nfs/dbraw/zinc/48/96/96/664489696.db2.gz	CJBSTAZWFBKAOV-GMTAPVOTSA-N	-1	2	324.385	-1.080	20	0		DAADLM
Cn1[nH]c(C[NH2+]CCNC(=O)c2ccnc3ccnn32)nc1=O	ZINC001129240403	776054744	/nfs/dbraw/zinc/05/47/44/776054744.db2.gz	OSZDNDFUGBKRCL-UHFFFAOYSA-N	-1	2	316.325	-1.329	20	0		DAADLM
COC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)c1cccnc1	ZINC001220527107	780223390	/nfs/dbraw/zinc/22/33/90/780223390.db2.gz	DUTGKVUBYWWNNK-VHSXEESVSA-N	-1	2	319.325	-1.115	20	0		DAADLM
Cn1[nH]c(C[N@@H+](C)CCCNC(=O)[C@@H]2COCCO2)nc1=O	ZINC001234226074	780404717	/nfs/dbraw/zinc/40/47/17/780404717.db2.gz	VJBNCHWWHDUSJX-JTQLQIEISA-N	-1	2	313.358	-1.538	20	0		DAADLM