smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=C(CBr)C[N@H+]1C[C@@H](C)C[C@H](C(=O)[O-])C1	ZINC001602712628	971357454	/nfs/dbraw/zinc/35/74/54/971357454.db2.gz	VBMNISFFENYWDF-WPRPVWTQSA-N	0	1	276.174	1.980	20	50		CDGDMN
C[C@H](CBr)C[N@@H+](CC(=O)[O-])C1CCOCC1	ZINC001588987879	962769281	/nfs/dbraw/zinc/76/92/81/962769281.db2.gz	KYPKEORGNKXSPP-SECBINFHSA-N	0	1	294.189	1.583	20	50		CDGDMN
C[C@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=O)[O-]	ZINC000736814070	978358244	/nfs/dbraw/zinc/35/82/44/978358244.db2.gz	HUVAGNHCBGDLST-JTQLQIEISA-N	0	1	262.313	1.547	20	50		CDGDMN
C[N@@H+]1CCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001598602885	993589476	/nfs/dbraw/zinc/58/94/76/993589476.db2.gz	UFHQTHVRZHNNKF-SNVBAGLBSA-N	0	1	281.287	1.061	20	50		CDGDMN
C[N@H+]1CCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001598602885	993589488	/nfs/dbraw/zinc/58/94/88/993589488.db2.gz	UFHQTHVRZHNNKF-SNVBAGLBSA-N	0	1	281.287	1.061	20	50		CDGDMN
O=C([O-])[C@@H]1CCC[N@@H+](CCI)C1	ZINC001595165024	952208085	/nfs/dbraw/zinc/20/80/85/952208085.db2.gz	KGQNVYHSSBGCMR-SSDOTTSWSA-N	0	1	283.109	1.218	20	50		CDGDMN
C=C(CBr)C[N@H+](CC(=O)[O-])C1CCOCC1	ZINC001588444579	958363724	/nfs/dbraw/zinc/36/37/24/958363724.db2.gz	JFUZUCDZQJVWGY-UHFFFAOYSA-N	0	1	292.173	1.503	20	50		CDGDMN
CC[N@@H+](CCCI)[C@@H](C)C(=O)[O-]	ZINC001603739785	974187628	/nfs/dbraw/zinc/18/76/28/974187628.db2.gz	YDTOTATXRPGETO-ZETCQYMHSA-N	0	1	285.125	1.607	20	50		CDGDMN
C[C@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCI	ZINC001594166445	998630181	/nfs/dbraw/zinc/63/01/81/998630181.db2.gz	UZOJMPIXKFGMGF-YUMQZZPRSA-N	0	1	297.136	1.607	20	50		CDGDMN
CCOCCC[N@H+]1CCC(=NNC(=O)[O-])[C@H](C)C1	ZINC000737167664	978384104	/nfs/dbraw/zinc/38/41/04/978384104.db2.gz	OPHMXILMFOZMSR-SNVBAGLBSA-N	0	1	257.334	1.378	20	50		CDGDMN
C[C@@]1(C(=O)[O-])CC[N@@H+](CCCI)C1	ZINC000833553419	605837627	/nfs/dbraw/zinc/83/76/27/605837627.db2.gz	DGEBHFGRTXGMPD-SECBINFHSA-N	0	1	297.136	1.608	20	50		CDGDMN
C[C@H](C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccco1	ZINC001573730347	948579494	/nfs/dbraw/zinc/57/94/94/948579494.db2.gz	ORABLRZSRFPVAA-QMMMGPOBSA-N	0	1	299.294	1.102	20	50		CDGDMN
C[C@@H](C(=O)[O-])[N@@H+](CCCI)C1CC1	ZINC001602819761	971620765	/nfs/dbraw/zinc/62/07/65/971620765.db2.gz	HERJJSYNVHEYSK-ZETCQYMHSA-N	0	1	297.136	1.749	20	50		CDGDMN
C=C(CBr)C[N@H+](CC(=O)[O-])C1CCC1	ZINC001588444696	958364345	/nfs/dbraw/zinc/36/43/45/958364345.db2.gz	OHNCHKKQSTXRQC-UHFFFAOYSA-N	0	1	262.147	1.877	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC001592211395	977262424	/nfs/dbraw/zinc/26/24/24/977262424.db2.gz	LLDXDCOSQLJMID-WPRPVWTQSA-N	0	1	264.163	1.957	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001595835772	982739001	/nfs/dbraw/zinc/73/90/01/982739001.db2.gz	RUFGULMNNFIMEF-UHFFFAOYSA-N	0	1	299.758	1.823	20	50		CDGDMN
C[NH+](C)C1(C(=O)NNc2ccc(C(=O)[O-])cc2F)CC1	ZINC001598178674	990736799	/nfs/dbraw/zinc/73/67/99/990736799.db2.gz	OOOQOXLTTKBJQX-UHFFFAOYSA-N	0	1	281.287	1.061	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@H](C)CBr)[C@H](C(=O)[O-])C1	ZINC001599125751	997843948	/nfs/dbraw/zinc/84/39/48/997843948.db2.gz	SIUCQGMDRJKTBV-BBBLOLIVSA-N	0	1	294.189	1.581	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+](C)C[C@H](C)C(=O)[O-]	ZINC001592213145	977271570	/nfs/dbraw/zinc/27/15/70/977271570.db2.gz	WDETVQPGOSKCKJ-YUMQZZPRSA-N	0	1	252.152	1.670	20	50		CDGDMN
C[N@H+]1CCC[C@@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001598594501	993484120	/nfs/dbraw/zinc/48/41/20/993484120.db2.gz	OUTBNCPDFGFLTM-GFCCVEGCSA-N	0	1	292.339	1.105	20	50		CDGDMN
C[N@@H+]1CCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001598602948	993591621	/nfs/dbraw/zinc/59/16/21/993591621.db2.gz	XWPARMHRNAHBMX-NSHDSACASA-N	0	1	281.287	1.061	20	50		CDGDMN
C[N@H+]1CCC[C@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001598602948	993591627	/nfs/dbraw/zinc/59/16/27/993591627.db2.gz	XWPARMHRNAHBMX-NSHDSACASA-N	0	1	281.287	1.061	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@@H](n3cc(C(=O)[O-])nn3)C2)[C@H]1Cl	ZINC001594187817	998728121	/nfs/dbraw/zinc/72/81/21/998728121.db2.gz	MHJHNFLBASUDNN-WYFGTUCQSA-N	0	1	298.774	1.487	20	50		CDGDMN
C[N@@H+](CCNC(=O)NNc1cccc(C(=O)[O-])c1)C1CC1	ZINC000833693829	605744667	/nfs/dbraw/zinc/74/46/67/605744667.db2.gz	VDOCBDJTIIGOBT-UHFFFAOYSA-N	0	1	292.339	1.105	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CC2CC1(C(=O)[O-])C2	ZINC001592210687	977256008	/nfs/dbraw/zinc/25/60/08/977256008.db2.gz	FSNRJTGPEGSXCQ-ZNFPMYQNSA-N	0	1	262.147	1.566	20	50		CDGDMN
CCC[N@H+]1CCC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595907880	982985466	/nfs/dbraw/zinc/98/54/66/982985466.db2.gz	INGOHNJRFZOBBZ-ZDUSSCGKSA-N	0	1	291.351	1.702	20	50		CDGDMN
CC[N@H+]1CCCC[C@@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001596425268	984072181	/nfs/dbraw/zinc/07/21/81/984072181.db2.gz	RYMCWOHBCXURJE-CYBMUJFWSA-N	0	1	291.351	1.702	20	50		CDGDMN
C[C@H](C(=O)[O-])[N@@H+](CCI)C1CC1	ZINC001609708342	970485842	/nfs/dbraw/zinc/48/58/42/970485842.db2.gz	DWQKQTYJYIUGNW-ZCFIWIBFSA-N	0	1	283.109	1.359	20	50		CDGDMN
O=C([O-])[C@H](C1CC1)[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC000903410702	956836527	/nfs/dbraw/zinc/83/65/27/956836527.db2.gz	DTGBKSQWBLZPSM-KDXUFGMBSA-N	0	1	260.131	1.175	20	50		CDGDMN
CC[N@@H+](CC(=O)NNc1cccc(C(=O)[O-])c1)C1CC1	ZINC001596207253	983594889	/nfs/dbraw/zinc/59/48/89/983594889.db2.gz	SDOAWEQPFDIKGB-UHFFFAOYSA-N	0	1	277.324	1.312	20	50		CDGDMN
C[C@H]1CC(=NNC(=O)C(=O)[O-])C[N@@H+](Cc2ccccc2)C1	ZINC001594195641	998758482	/nfs/dbraw/zinc/75/84/82/998758482.db2.gz	AKFITKJSDCGLEE-NSHDSACASA-N	0	1	289.335	1.085	20	50		CDGDMN
C[C@H]1CC(=NNC(=O)C(=O)[O-])C[N@H+](Cc2ccccc2)C1	ZINC001594195641	998758486	/nfs/dbraw/zinc/75/84/86/998758486.db2.gz	AKFITKJSDCGLEE-NSHDSACASA-N	0	1	289.335	1.085	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2ccc(F)c(C(=O)[O-])c2)CC[N@H+]1C	ZINC001599882074	989498873	/nfs/dbraw/zinc/49/88/73/989498873.db2.gz	LBZPOBNXYIDOME-PSASIEDQSA-N	0	1	295.314	1.307	20	50		CDGDMN
CC(C)[N@@H+](CCI)CCC(=O)[O-]	ZINC001591591102	992805396	/nfs/dbraw/zinc/80/53/96/992805396.db2.gz	MXQFYWLBNWYCRL-UHFFFAOYSA-N	0	1	285.125	1.607	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594187491	998725681	/nfs/dbraw/zinc/72/56/81/998725681.db2.gz	GNRJZQWBUCTIIK-CKEKPRIKSA-N	0	1	284.747	1.096	20	50		CDGDMN
CCO/C=C(\C#N)C(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC000825583157	607525840	/nfs/dbraw/zinc/52/58/40/607525840.db2.gz	QYZVTZKYASPWIK-CSKARUKUSA-N	0	1	284.279	1.249	20	50		CDGDMN
CC[N@H+]1CCCC[C@H]1C(=O)NNc1ccccc1C(=O)[O-]	ZINC001596425269	984071825	/nfs/dbraw/zinc/07/18/25/984071825.db2.gz	RYMCWOHBCXURJE-ZDUSSCGKSA-N	0	1	291.351	1.702	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2)CC[N@H+]1C	ZINC001599882108	989498993	/nfs/dbraw/zinc/49/89/93/989498993.db2.gz	NNTVTBKLMNZADI-BXKDBHETSA-N	0	1	277.324	1.168	20	50		CDGDMN
O=C([O-])[C@@H]1C[N@@H+](C[C@@H](CBr)C2CC2)CCO1	ZINC001594954163	954972219	/nfs/dbraw/zinc/97/22/19/954972219.db2.gz	WCZMGXXUYKXVIW-ZJUUUORDSA-N	0	1	292.173	1.193	20	50		CDGDMN
C=C(CBr)C[N@H+]1CC[C@H](C(=O)[O-])[C@H](C)C1	ZINC001588444618	958363520	/nfs/dbraw/zinc/36/35/20/958363520.db2.gz	KPKQERKQYLMKFQ-ZJUUUORDSA-N	0	1	276.174	1.980	20	50		CDGDMN
O=C([O-])[C@@H]1C[N@@H+](C[C@H](CBr)C2CC2)CCO1	ZINC001594954160	954971113	/nfs/dbraw/zinc/97/11/13/954971113.db2.gz	WCZMGXXUYKXVIW-UWVGGRQHSA-N	0	1	292.173	1.193	20	50		CDGDMN
CC[N@@H+](CC(=O)NNc1ccc(C(=O)[O-])c(F)c1)C1CC1	ZINC001596207193	983593933	/nfs/dbraw/zinc/59/39/33/983593933.db2.gz	QMQPLCAZANQKSO-UHFFFAOYSA-N	0	1	295.314	1.451	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001591550985	992743797	/nfs/dbraw/zinc/74/37/97/992743797.db2.gz	QDBYDCYOBYAACX-UHFFFAOYSA-N	0	1	283.303	1.307	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1ccccc1C(=O)[O-]	ZINC000833496123	605282239	/nfs/dbraw/zinc/28/22/39/605282239.db2.gz	SMKJALSGSZNJOB-UHFFFAOYSA-N	0	1	265.313	1.168	20	50		CDGDMN
C[NH+](C)C1(C(=O)NNc2ccc(F)c(C(=O)[O-])c2)CC1	ZINC001598178639	990735599	/nfs/dbraw/zinc/73/55/99/990735599.db2.gz	NGVZREGTVJOPEX-UHFFFAOYSA-N	0	1	281.287	1.061	20	50		CDGDMN
C[N@@H+](CCI)C1(C(=O)[O-])CCCC1	ZINC001598486553	992212720	/nfs/dbraw/zinc/21/27/20/992212720.db2.gz	QGQIKZWXRPKWGC-UHFFFAOYSA-N	0	1	297.136	1.751	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CC[C@@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594187494	998725735	/nfs/dbraw/zinc/72/57/35/998725735.db2.gz	GNRJZQWBUCTIIK-SJQPAMGKSA-N	0	1	284.747	1.096	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1	ZINC001594187816	998728262	/nfs/dbraw/zinc/72/82/62/998728262.db2.gz	MHJHNFLBASUDNN-GUDRVLHUSA-N	0	1	298.774	1.487	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC000833495884	605245511	/nfs/dbraw/zinc/24/55/11/605245511.db2.gz	DEZCZAMXFKEBCC-UHFFFAOYSA-N	0	1	299.758	1.822	20	50		CDGDMN
C[C@H](C(=O)[O-])[N@@H+](CCCI)C1CC1	ZINC001602819760	971620343	/nfs/dbraw/zinc/62/03/43/971620343.db2.gz	HERJJSYNVHEYSK-SSDOTTSWSA-N	0	1	297.136	1.749	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@@]1(C)C(=O)[O-]	ZINC001592211394	977262248	/nfs/dbraw/zinc/26/22/48/977262248.db2.gz	LLDXDCOSQLJMID-SCZZXKLOSA-N	0	1	264.163	1.957	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC001602712206	971354272	/nfs/dbraw/zinc/35/42/72/971354272.db2.gz	KEZKLWMFJTWDJP-SECBINFHSA-N	0	1	262.147	1.734	20	50		CDGDMN
CC(=NNC(=O)C(=O)[O-])[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC001589010585	984980586	/nfs/dbraw/zinc/98/05/86/984980586.db2.gz	CQMCPYMYWFUNKO-ZDUSSCGKSA-N	0	1	289.335	1.085	20	50		CDGDMN
C[C@H]1C(=NNC(=O)C(=O)[O-])CCC[N@H+]1Cc1ccccc1	ZINC001594120901	998275829	/nfs/dbraw/zinc/27/58/29/998275829.db2.gz	ZSLDMERCEIQXQK-NSHDSACASA-N	0	1	289.335	1.228	20	50		CDGDMN
C[C@H]1C(=NNC(=O)C(=O)[O-])CCC[N@@H+]1Cc1ccccc1	ZINC001594120901	998275838	/nfs/dbraw/zinc/27/58/38/998275838.db2.gz	ZSLDMERCEIQXQK-NSHDSACASA-N	0	1	289.335	1.228	20	50		CDGDMN
C[C@@H]1C[N@@H+](CCCI)C[C@H]1C(=O)[O-]	ZINC001599867067	989281907	/nfs/dbraw/zinc/28/19/07/989281907.db2.gz	WLHLCVVVRSTCBO-HTQZYQBOSA-N	0	1	297.136	1.464	20	50		CDGDMN
C=C(CBr)C[N@@H+](CCC)CC(=O)[O-]	ZINC001588444497	964064325	/nfs/dbraw/zinc/06/43/25/964064325.db2.gz	FPYYJYBJPXUWKK-UHFFFAOYSA-N	0	1	250.136	1.734	20	50		CDGDMN
CCC[N@H+](CC(=O)[O-])C[C@H](C)CBr	ZINC001605309641	973128553	/nfs/dbraw/zinc/12/85/53/973128553.db2.gz	ZTBWOPLUGGJXNK-MRVPVSSYSA-N	0	1	252.152	1.814	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+]1CCOC[C@@H]1CC(=O)[O-]	ZINC001592212397	977267660	/nfs/dbraw/zinc/26/76/60/977267660.db2.gz	QZSMDYMKWVYQND-IUCAKERBSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCOC[C@@H]1CC(=O)[O-]	ZINC001592212397	977267669	/nfs/dbraw/zinc/26/76/69/977267669.db2.gz	QZSMDYMKWVYQND-IUCAKERBSA-N	0	1	280.162	1.193	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1cccc(F)c1C(=O)[O-]	ZINC001595834676	982733194	/nfs/dbraw/zinc/73/31/94/982733194.db2.gz	ACGHNOSDODHRST-UHFFFAOYSA-N	0	1	283.303	1.309	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC001592211545	977262157	/nfs/dbraw/zinc/26/21/57/977262157.db2.gz	MATAFWSOKXTLCU-RKDXNWHRSA-N	0	1	296.230	1.910	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001594191364	998748038	/nfs/dbraw/zinc/74/80/38/998748038.db2.gz	XBFYMTHBSTXCHS-HKLXJQGRSA-N	0	1	273.760	1.283	20	50		CDGDMN
C[C@H]1CN(c2ncccc2NC(=O)CCl)[C@@H](C)CN1C	ZINC001164634851	719232125	/nfs/dbraw/zinc/23/21/25/719232125.db2.gz	HSVNEPPWBCYQEM-QWRGUYRKSA-N	0	1	296.802	1.788	20	50		CDGDMN
C[N@@H+](CCCI)CCC(=O)[O-]	ZINC000820592061	955474226	/nfs/dbraw/zinc/47/42/26/955474226.db2.gz	FEYACBRUXCIYPM-UHFFFAOYSA-N	0	1	271.098	1.218	20	50		CDGDMN
C=C(CBr)C[N@@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001588605188	983691347	/nfs/dbraw/zinc/69/13/47/983691347.db2.gz	CDYVYYJYJWOWGW-RKDXNWHRSA-N	0	1	262.147	1.590	20	50		CDGDMN
C=C(CBr)C[N@@H+](CCOC)CCC(=O)[O-]	ZINC001602712134	971353258	/nfs/dbraw/zinc/35/32/58/971353258.db2.gz	HHNHLRKHAYDYRP-UHFFFAOYSA-N	0	1	280.162	1.361	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC001588988211	962776378	/nfs/dbraw/zinc/77/63/78/962776378.db2.gz	WQTYAIICPYJQFW-DTWKUNHWSA-N	0	1	264.163	1.814	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC001592210439	977253603	/nfs/dbraw/zinc/25/36/03/977253603.db2.gz	CAVSHECPRMUUIH-SFYZADRCSA-N	0	1	250.136	1.424	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC001594187021	998722877	/nfs/dbraw/zinc/72/28/77/998722877.db2.gz	AVPFWKWTBQSFTN-CKEKPRIKSA-N	0	1	263.790	1.752	20	50		CDGDMN
C[C@H](C[N@H+](C)C[C@H](C)CBr)C(=O)[O-]	ZINC001592213142	977271629	/nfs/dbraw/zinc/27/16/29/977271629.db2.gz	WDETVQPGOSKCKJ-HTQZYQBOSA-N	0	1	252.152	1.670	20	50		CDGDMN
C[C@H](CBr)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1	ZINC001588988143	962775385	/nfs/dbraw/zinc/77/53/85/962775385.db2.gz	UOCWNSXWBJGLEJ-SFYZADRCSA-N	0	1	264.163	1.955	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2ccc(C(=O)[O-])cc2F)CC[N@H+]1C	ZINC001599881909	989497179	/nfs/dbraw/zinc/49/71/79/989497179.db2.gz	FVBGMZDHHBXSAW-PSASIEDQSA-N	0	1	295.314	1.307	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@@H]2[C@H](C)[C@@H]2Cl)[C@@H](C(=O)[O-])C1	ZINC001599125704	997843966	/nfs/dbraw/zinc/84/39/66/997843966.db2.gz	RAZMLZGHCWXTKL-LXUNUROVSA-N	0	1	261.749	1.424	20	50		CDGDMN
N#CC1=CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1	ZINC000826381001	609475309	/nfs/dbraw/zinc/47/53/09/609475309.db2.gz	UGLVLJVPNWGEBU-UHFFFAOYSA-N	0	1	266.308	1.522	20	50		CDGDMN
C=C(CBr)C[N@H+](CC(=O)[O-])C(C)C	ZINC001588444873	958368878	/nfs/dbraw/zinc/36/88/78/958368878.db2.gz	WPSFCHSKQMXJAG-UHFFFAOYSA-N	0	1	250.136	1.733	20	50		CDGDMN
C=C(CBr)C[N@@H+]1C[C@H](C)[C@@](C)(C(=O)[O-])C1	ZINC001588605693	983694432	/nfs/dbraw/zinc/69/44/32/983694432.db2.gz	NTDISVGMMDJXII-ONGXEEELSA-N	0	1	276.174	1.980	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H]1[C@H](C)[C@@H]1Cl	ZINC001598754209	995694375	/nfs/dbraw/zinc/69/43/75/995694375.db2.gz	WYBCPNFWGVKZGH-GEVSDDDWSA-N	0	1	289.759	1.198	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1[C@H](C)[C@@H]1Cl	ZINC001598754209	995694380	/nfs/dbraw/zinc/69/43/80/995694380.db2.gz	WYBCPNFWGVKZGH-GEVSDDDWSA-N	0	1	289.759	1.198	20	50		CDGDMN
CCC[N@H+]1CCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001589675215	949992202	/nfs/dbraw/zinc/99/22/02/949992202.db2.gz	PUPBMCHSCLPBNG-LLVKDONJSA-N	0	1	292.339	1.097	20	50		CDGDMN
O=C([O-])[C@@H]1CCCC[N@H+]1CCCI	ZINC000821510315	955509119	/nfs/dbraw/zinc/50/91/19/955509119.db2.gz	NYYNUJUUECENCA-QMMMGPOBSA-N	0	1	297.136	1.751	20	50		CDGDMN
C[N@@H+]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001598599545	993554987	/nfs/dbraw/zinc/55/49/87/993554987.db2.gz	TYCDGGXEQIACMV-ZDUSSCGKSA-N	0	1	291.351	1.241	20	50		CDGDMN
C[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001598599545	993554993	/nfs/dbraw/zinc/55/49/93/993554993.db2.gz	TYCDGGXEQIACMV-ZDUSSCGKSA-N	0	1	291.351	1.241	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC001592211544	977262269	/nfs/dbraw/zinc/26/22/69/977262269.db2.gz	MATAFWSOKXTLCU-IUCAKERBSA-N	0	1	296.230	1.910	20	50		CDGDMN
CC(=NNC(=O)C[NH+](C)C)[C@H](C)CCCCC(=O)[O-]	ZINC000814832727	978891010	/nfs/dbraw/zinc/89/10/10/978891010.db2.gz	VREQDTKXDCDIJI-SNVBAGLBSA-N	0	1	271.361	1.321	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC001603119268	972200576	/nfs/dbraw/zinc/20/05/76/972200576.db2.gz	WQTYAIICPYJQFW-BDAKNGLRSA-N	0	1	264.163	1.814	20	50		CDGDMN
O=C([O-])[C@@H](C1CC1)[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC000903410703	956835352	/nfs/dbraw/zinc/83/53/52/956835352.db2.gz	DTGBKSQWBLZPSM-RYPBNFRJSA-N	0	1	260.131	1.175	20	50		CDGDMN
CCC[N@@H+](CCI)CC(=O)[O-]	ZINC001610251651	970707892	/nfs/dbraw/zinc/70/78/92/970707892.db2.gz	SUCCIPVEAMJPPJ-UHFFFAOYSA-N	0	1	271.098	1.218	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CC2CC1(C(=O)[O-])C2	ZINC001592210679	977256159	/nfs/dbraw/zinc/25/61/59/977256159.db2.gz	FSNRJTGPEGSXCQ-JEUQWKINSA-N	0	1	262.147	1.566	20	50		CDGDMN
CCCC[C@@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001595630027	981811988	/nfs/dbraw/zinc/81/19/88/981811988.db2.gz	TVWPLYGSDQWRJJ-QCLAVDOMSA-N	0	1	276.174	1.955	20	50		CDGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C(C)(C)F)o1	ZINC000824352747	608533720	/nfs/dbraw/zinc/53/37/20/608533720.db2.gz	LJCGMOYWWLPVPL-UHFFFAOYSA-N	0	1	297.294	1.169	20	50		CDGDMN
COC[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2[C@H](C)[C@@H]2Cl)C1	ZINC001593966696	956555582	/nfs/dbraw/zinc/55/55/82/956555582.db2.gz	MXISIKCDPLBFNW-WYFGTUCQSA-N	0	1	261.749	1.283	20	50		CDGDMN
C=C(CBr)C[N@H+]1CCC[C@]1(COC)C(=O)[O-]	ZINC001588606305	983697328	/nfs/dbraw/zinc/69/73/28/983697328.db2.gz	WAMDQZOKJFGLIX-NSHDSACASA-N	0	1	292.173	1.503	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCC[C@]1(COC)C(=O)[O-]	ZINC001588606305	983697330	/nfs/dbraw/zinc/69/73/30/983697330.db2.gz	WAMDQZOKJFGLIX-NSHDSACASA-N	0	1	292.173	1.503	20	50		CDGDMN
C[N@@H+]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001598603007	993593940	/nfs/dbraw/zinc/59/39/40/993593940.db2.gz	XWPARMHRNAHBMX-LLVKDONJSA-N	0	1	281.287	1.061	20	50		CDGDMN
C[N@H+]1CCC[C@@H]1C(=O)NNc1ccc(C(=O)[O-])cc1F	ZINC001598603007	993593946	/nfs/dbraw/zinc/59/39/46/993593946.db2.gz	XWPARMHRNAHBMX-LLVKDONJSA-N	0	1	281.287	1.061	20	50		CDGDMN
CC[C@H](C(=O)[O-])[N@@H+](C)CCCI	ZINC001589440941	954714547	/nfs/dbraw/zinc/71/45/47/954714547.db2.gz	FFLPVTXLGOHMOW-SSDOTTSWSA-N	0	1	285.125	1.607	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+](C)CCCC(=O)[O-]	ZINC001603118508	972197544	/nfs/dbraw/zinc/19/75/44/972197544.db2.gz	BOZVRZLGDJGRLY-QMMMGPOBSA-N	0	1	252.152	1.814	20	50		CDGDMN
C[C@H](CBr)C[N@H+](CC(=O)[O-])CC1CC1	ZINC001603118985	972199305	/nfs/dbraw/zinc/19/93/05/972199305.db2.gz	MCXJEZWTAHWOGJ-MRVPVSSYSA-N	0	1	264.163	1.814	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC001592211542	977262165	/nfs/dbraw/zinc/26/21/65/977262165.db2.gz	MATAFWSOKXTLCU-BDAKNGLRSA-N	0	1	296.230	1.910	20	50		CDGDMN
C[N@H+](CC(=O)NN=c1[nH]cccc1C(=O)[O-])CC(C)(C)C	ZINC001593719467	954244268	/nfs/dbraw/zinc/24/42/68/954244268.db2.gz	SFBACVTXDXWEBQ-UHFFFAOYSA-N	0	1	294.355	1.201	20	50		CDGDMN
C[N@@H+](CC(=O)NN=c1[nH]cccc1C(=O)[O-])CC(C)(C)C	ZINC001593719467	954244285	/nfs/dbraw/zinc/24/42/85/954244285.db2.gz	SFBACVTXDXWEBQ-UHFFFAOYSA-N	0	1	294.355	1.201	20	50		CDGDMN
O=C([O-])[C@H]1C[N@@H+](C[C@@H](CBr)C2CC2)CCO1	ZINC001594954158	954971856	/nfs/dbraw/zinc/97/18/56/954971856.db2.gz	WCZMGXXUYKXVIW-NXEZZACHSA-N	0	1	292.173	1.193	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC001603355507	972801165	/nfs/dbraw/zinc/80/11/65/972801165.db2.gz	PTWQQHZCDRPTDE-UFGOTCBOSA-N	0	1	275.776	1.815	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001592210432	977253789	/nfs/dbraw/zinc/25/37/89/977253789.db2.gz	CALZVOTXJSDPEC-HLTSFMKQSA-N	0	1	280.162	1.191	20	50		CDGDMN
CCCC[C@H](C(=O)[O-])[N@@H+]1C[C@@H]2[C@@H](Br)[C@@H]2C1	ZINC001595630028	981811951	/nfs/dbraw/zinc/81/19/51/981811951.db2.gz	TVWPLYGSDQWRJJ-RGOKHQFPSA-N	0	1	276.174	1.955	20	50		CDGDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1	ZINC000833605003	604805214	/nfs/dbraw/zinc/80/52/14/604805214.db2.gz	WBMQULKLQKBLCB-AOOOYVTPSA-N	0	1	292.339	1.096	20	50		CDGDMN
C[C@@H]1CN(C)[C@@H](C)CN1c1ncccc1NC(=O)CCl	ZINC001164634852	719232429	/nfs/dbraw/zinc/23/24/29/719232429.db2.gz	HSVNEPPWBCYQEM-WDEREUQCSA-N	0	1	296.802	1.788	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC001603118576	972197535	/nfs/dbraw/zinc/19/75/35/972197535.db2.gz	DGZRCIOMGOWOCO-IUCAKERBSA-N	0	1	264.163	1.957	20	50		CDGDMN
C#CC[N@@H+](CC(=O)[O-])C[C@@H](CBr)C1CC1	ZINC001588424178	958212567	/nfs/dbraw/zinc/21/25/67/958212567.db2.gz	KNDJQNYVNNEYMA-SNVBAGLBSA-N	0	1	274.158	1.427	20	50		CDGDMN
C#CC[N@H+](CC(=O)[O-])C[C@@H](CBr)C1CC1	ZINC001588424178	958212580	/nfs/dbraw/zinc/21/25/80/958212580.db2.gz	KNDJQNYVNNEYMA-SNVBAGLBSA-N	0	1	274.158	1.427	20	50		CDGDMN
C[C@]1(C(=O)[O-])CCC[N@H+]1CCCI	ZINC001589186992	956563871	/nfs/dbraw/zinc/56/38/71/956563871.db2.gz	LRCDKHCQUNZNGD-SECBINFHSA-N	0	1	297.136	1.751	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CC[C@H](C(=O)[O-])C1	ZINC001592210440	977253289	/nfs/dbraw/zinc/25/32/89/977253289.db2.gz	CAVSHECPRMUUIH-YUMQZZPRSA-N	0	1	250.136	1.424	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)[C@H]1Cl	ZINC001594191363	998747960	/nfs/dbraw/zinc/74/79/60/998747960.db2.gz	XBFYMTHBSTXCHS-CCJOIDDDSA-N	0	1	273.760	1.283	20	50		CDGDMN
CC=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820825921	945563342	/nfs/dbraw/zinc/56/33/42/945563342.db2.gz	HEFYOAZOHPFVLC-FNORWQNLSA-N	0	1	291.315	1.387	20	50		CDGDMN
O=C([O-])[C@@H]1CC[N@@H+](CCCI)C1	ZINC000821511298	955509389	/nfs/dbraw/zinc/50/93/89/955509389.db2.gz	GZWKLTSTIBRAMQ-SSDOTTSWSA-N	0	1	283.109	1.218	20	50		CDGDMN
C[C@@H](CBr)C[N@H+](CC(=O)[O-])CC1CC1	ZINC001603118986	972199357	/nfs/dbraw/zinc/19/93/57/972199357.db2.gz	MCXJEZWTAHWOGJ-QMMMGPOBSA-N	0	1	264.163	1.814	20	50		CDGDMN
C=C(CBr)C[N@H+]([C@H](C)C(=O)[O-])C1CC1	ZINC001609626344	970428001	/nfs/dbraw/zinc/42/80/01/970428001.db2.gz	VHJWRLWFQOPYEB-MRVPVSSYSA-N	0	1	262.147	1.875	20	50		CDGDMN
C[C@H](CBr)C[N@@H+]1CCOC[C@H]1CC(=O)[O-]	ZINC001592212398	977267720	/nfs/dbraw/zinc/26/77/20/977267720.db2.gz	QZSMDYMKWVYQND-RKDXNWHRSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCOC[C@H]1CC(=O)[O-]	ZINC001592212398	977267730	/nfs/dbraw/zinc/26/77/30/977267730.db2.gz	QZSMDYMKWVYQND-RKDXNWHRSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@@H](C(=O)NN=c1ccc(-c2nn[nH]n2)c[nH]1)c1ccco1	ZINC001573730346	948578720	/nfs/dbraw/zinc/57/87/20/948578720.db2.gz	ORABLRZSRFPVAA-MRVPVSSYSA-N	0	1	299.294	1.102	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC001592210437	977253623	/nfs/dbraw/zinc/25/36/23/977253623.db2.gz	CAVSHECPRMUUIH-HTQZYQBOSA-N	0	1	250.136	1.424	20	50		CDGDMN
COC[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2[C@@H](C)[C@@H]2Cl)C1	ZINC001593966693	956555479	/nfs/dbraw/zinc/55/54/79/956555479.db2.gz	MXISIKCDPLBFNW-SVDPJWKOSA-N	0	1	261.749	1.283	20	50		CDGDMN
CC(C)[N@H+](CC(=O)[O-])C[C@H](C)CBr	ZINC001609865104	970556596	/nfs/dbraw/zinc/55/65/96/970556596.db2.gz	PDJPSKBNIDMQDP-MRVPVSSYSA-N	0	1	252.152	1.812	20	50		CDGDMN
CCC[N@@H+](CCCI)CC(=O)[O-]	ZINC000833651095	605829780	/nfs/dbraw/zinc/82/97/80/605829780.db2.gz	NDYGJFNSOHFYGF-UHFFFAOYSA-N	0	1	285.125	1.608	20	50		CDGDMN
O=C([O-])[C@@H]1CCC[N@H+]1C[C@H](CBr)C1CC1	ZINC001595167731	952211818	/nfs/dbraw/zinc/21/18/18/952211818.db2.gz	PZGLFMPCGCABOX-UWVGGRQHSA-N	0	1	276.174	1.957	20	50		CDGDMN
C=C(CBr)C[N@H+]1CC[C@H](C(=O)[O-])[C@@H](C)C1	ZINC001588444616	958363301	/nfs/dbraw/zinc/36/33/01/958363301.db2.gz	KPKQERKQYLMKFQ-UWVGGRQHSA-N	0	1	276.174	1.980	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001591551042	992743516	/nfs/dbraw/zinc/74/35/16/992743516.db2.gz	SIPZVKOOZIFCCG-UHFFFAOYSA-N	0	1	283.303	1.307	20	50		CDGDMN
C[C@@H]1C(=NNC(=O)C(=O)[O-])CCC[N@H+]1Cc1ccccc1	ZINC001594120900	998275867	/nfs/dbraw/zinc/27/58/67/998275867.db2.gz	ZSLDMERCEIQXQK-LLVKDONJSA-N	0	1	289.335	1.228	20	50		CDGDMN
C[C@@H]1C(=NNC(=O)C(=O)[O-])CCC[N@@H+]1Cc1ccccc1	ZINC001594120900	998275874	/nfs/dbraw/zinc/27/58/74/998275874.db2.gz	ZSLDMERCEIQXQK-LLVKDONJSA-N	0	1	289.335	1.228	20	50		CDGDMN
C[C@H](C(=O)[O-])[N@@H+](C)CCCI	ZINC000819888987	955460926	/nfs/dbraw/zinc/46/09/26/955460926.db2.gz	IODNGDUDZCVAFF-ZCFIWIBFSA-N	0	1	271.098	1.216	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589262366	957045136	/nfs/dbraw/zinc/04/51/36/957045136.db2.gz	NPIBZIDFBCLZOP-GBLDHOQUSA-N	0	1	257.761	1.902	20	50		CDGDMN
CC(C)(C)[Si](C)(C)OCC[N@@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001590452145	990017951	/nfs/dbraw/zinc/01/79/51/990017951.db2.gz	YUWXMBURUYWTRO-MNOVXSKESA-N	0	1	289.448	1.528	20	50		CDGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1C[C@H](O)C[C@H]1C(=O)[O-]	ZINC001590452145	990017954	/nfs/dbraw/zinc/01/79/54/990017954.db2.gz	YUWXMBURUYWTRO-MNOVXSKESA-N	0	1	289.448	1.528	20	50		CDGDMN
C[N@@H+](Cc1ccccc1)CC(C)(C)C=NNC(=O)C(=O)[O-]	ZINC001598528491	992747300	/nfs/dbraw/zinc/74/73/00/992747300.db2.gz	CEYPZHPBBNFEMG-UHFFFAOYSA-N	0	1	291.351	1.331	20	50		CDGDMN
CO[C@@H]1C[N@@H+](C[C@H](C)CBr)[C@@](C)(C(=O)[O-])C1	ZINC001599129444	997914273	/nfs/dbraw/zinc/91/42/73/997914273.db2.gz	FCJJPDRQHJTIPL-WCABBAIRSA-N	0	1	294.189	1.581	20	50		CDGDMN
O=C([O-])[C@H]1CCC[N@H+]1CCCI	ZINC000821509597	955508137	/nfs/dbraw/zinc/50/81/37/955508137.db2.gz	QLXLQNRUARKWPS-SSDOTTSWSA-N	0	1	283.109	1.361	20	50		CDGDMN
COCC[N@H+](CC(=O)[O-])C[C@H](C)CBr	ZINC001599234410	997921319	/nfs/dbraw/zinc/92/13/19/997921319.db2.gz	VMAJAZRIXCCFQA-MRVPVSSYSA-N	0	1	268.151	1.050	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@](COC)(C(=O)[O-])C1	ZINC001602711935	971352034	/nfs/dbraw/zinc/35/20/34/971352034.db2.gz	BVTJANLJQSTVMB-NSHDSACASA-N	0	1	292.173	1.361	20	50		CDGDMN
C=C(CBr)C[N@@H+](C)CCCC(=O)[O-]	ZINC001588444547	958362061	/nfs/dbraw/zinc/36/20/61/958362061.db2.gz	IFWNJZXQVYQSTJ-UHFFFAOYSA-N	0	1	250.136	1.734	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC001603355508	972801018	/nfs/dbraw/zinc/80/10/18/972801018.db2.gz	PTWQQHZCDRPTDE-XHVZSJERSA-N	0	1	275.776	1.815	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001588987956	962768795	/nfs/dbraw/zinc/76/87/95/962768795.db2.gz	NLQNSBGPTSQPQB-IWSPIJDZSA-N	0	1	264.163	1.955	20	50		CDGDMN
CCOCCC[N@H+]1CCC(=NNC(=O)[O-])[C@@H](C)C1	ZINC000737167663	978384223	/nfs/dbraw/zinc/38/42/23/978384223.db2.gz	OPHMXILMFOZMSR-JTQLQIEISA-N	0	1	257.334	1.378	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCC[C@@H]2C[C@@]21C(=O)[O-]	ZINC001588605499	983693204	/nfs/dbraw/zinc/69/32/04/983693204.db2.gz	JWLRZNLPVSWVCM-KOLCDFICSA-N	0	1	274.158	1.877	20	50		CDGDMN
C[N@H+]1CC[C@@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC001598580434	993332472	/nfs/dbraw/zinc/33/24/72/993332472.db2.gz	WWDDQUAJBHVDPU-JTQLQIEISA-N	0	1	277.324	1.170	20	50		CDGDMN
COCC[N@@H+](CCC(=O)[O-])C[C@@H](C)CBr	ZINC001604604776	973714839	/nfs/dbraw/zinc/71/48/39/973714839.db2.gz	QQWLPOARTWMVTM-VIFPVBQESA-N	0	1	282.178	1.441	20	50		CDGDMN
C[N@H+]1CC[C@H](CC(=O)NNc2ccccc2C(=O)[O-])C1	ZINC001598580435	993332390	/nfs/dbraw/zinc/33/23/90/993332390.db2.gz	WWDDQUAJBHVDPU-SNVBAGLBSA-N	0	1	277.324	1.170	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+](CC(=O)[O-])C1CCOCC1	ZINC001588987880	962768944	/nfs/dbraw/zinc/76/89/44/962768944.db2.gz	KYPKEORGNKXSPP-VIFPVBQESA-N	0	1	294.189	1.583	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@@H+](CCC(=O)[O-])C1CCOCC1	ZINC001603355506	972801581	/nfs/dbraw/zinc/80/15/81/972801581.db2.gz	PTWQQHZCDRPTDE-NDMJEZRESA-N	0	1	275.776	1.815	20	50		CDGDMN
CC[N@@H+](CCCI)[C@H](C)C(=O)[O-]	ZINC001603739784	974187802	/nfs/dbraw/zinc/18/78/02/974187802.db2.gz	YDTOTATXRPGETO-SSDOTTSWSA-N	0	1	285.125	1.607	20	50		CDGDMN
C[N@H+]1CCC[C@H](NC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001598594502	993484109	/nfs/dbraw/zinc/48/41/09/993484109.db2.gz	OUTBNCPDFGFLTM-LBPRGKRZSA-N	0	1	292.339	1.105	20	50		CDGDMN
O=C([O-])C[N@@H+](CCCI)C1CCC1	ZINC001595071268	951594743	/nfs/dbraw/zinc/59/47/43/951594743.db2.gz	CMOVTVDQSRUYFN-UHFFFAOYSA-N	0	1	297.136	1.751	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-]	ZINC001588987955	962768886	/nfs/dbraw/zinc/76/88/86/962768886.db2.gz	NLQNSBGPTSQPQB-DJLDLDEBSA-N	0	1	264.163	1.955	20	50		CDGDMN
CC(C)[N@H+](CC(=O)[O-])C[C@@H](C)CBr	ZINC001609865106	970556610	/nfs/dbraw/zinc/55/66/10/970556610.db2.gz	PDJPSKBNIDMQDP-QMMMGPOBSA-N	0	1	252.152	1.812	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@H](C(=O)[O-])[C@H]1C	ZINC001588605881	983695273	/nfs/dbraw/zinc/69/52/73/983695273.db2.gz	QEVNFPXWPIMFHD-BDAKNGLRSA-N	0	1	262.147	1.733	20	50		CDGDMN
CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001589815715	988254792	/nfs/dbraw/zinc/25/47/92/988254792.db2.gz	QIBXHJFLBUBESS-LBPRGKRZSA-N	0	1	291.351	1.701	20	50		CDGDMN
CC(C)(C)[N@H+]1CC[C@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001589815715	988254799	/nfs/dbraw/zinc/25/47/99/988254799.db2.gz	QIBXHJFLBUBESS-LBPRGKRZSA-N	0	1	291.351	1.701	20	50		CDGDMN
CC=C(C)C(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000820825920	945562616	/nfs/dbraw/zinc/56/26/16/945562616.db2.gz	HEFYOAZOHPFVLC-ALCCZGGFSA-N	0	1	291.315	1.387	20	50		CDGDMN
C/C(C#N)=C\COc1ccc(F)nc1-c1nn[nH]n1	ZINC001573557901	946931916	/nfs/dbraw/zinc/93/19/16/946931916.db2.gz	AIRVXBPEFPTKKN-QPJJXVBHSA-N	0	1	260.232	1.249	20	50		CDGDMN
C[N@@H+](CC(=O)NNc1ccc(F)c(C(=O)[O-])c1)C1CCC1	ZINC001598396391	991656852	/nfs/dbraw/zinc/65/68/52/991656852.db2.gz	GFCHQXSMGDKUEG-UHFFFAOYSA-N	0	1	295.314	1.451	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CCSC[C@H]2CC(=O)[O-])[C@H]1Cl	ZINC001594187022	998723026	/nfs/dbraw/zinc/72/30/26/998723026.db2.gz	AVPFWKWTBQSFTN-DKIAZLNASA-N	0	1	263.790	1.752	20	50		CDGDMN
C[C@@]1(C(=O)[O-])CCC[N@H+]1CCCI	ZINC001589186996	956564826	/nfs/dbraw/zinc/56/48/26/956564826.db2.gz	LRCDKHCQUNZNGD-VIFPVBQESA-N	0	1	297.136	1.751	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC001592212401	977267374	/nfs/dbraw/zinc/26/73/74/977267374.db2.gz	RAKNPHRNMPNEOS-DTWKUNHWSA-N	0	1	264.163	1.957	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001594191365	998748000	/nfs/dbraw/zinc/74/80/00/998748000.db2.gz	XBFYMTHBSTXCHS-XPORZQOISA-N	0	1	273.760	1.283	20	50		CDGDMN
CC[C@H](C)[N@@H+](CCCI)CC(=O)[O-]	ZINC001594983918	982791087	/nfs/dbraw/zinc/79/10/87/982791087.db2.gz	UURFDOPEEAYEFY-QMMMGPOBSA-N	0	1	299.152	1.997	20	50		CDGDMN
CC(=NNC(=O)C[NH+](C)C)[C@@H](C)CCCCC(=O)[O-]	ZINC000814832726	978890600	/nfs/dbraw/zinc/89/06/00/978890600.db2.gz	VREQDTKXDCDIJI-JTQLQIEISA-N	0	1	271.361	1.321	20	50		CDGDMN
C[N@@H+]1CCCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001598600205	993565569	/nfs/dbraw/zinc/56/55/69/993565569.db2.gz	CIIJHIZTJTWKKC-LBPRGKRZSA-N	0	1	295.314	1.451	20	50		CDGDMN
C[N@H+]1CCCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001598600205	993565571	/nfs/dbraw/zinc/56/55/71/993565571.db2.gz	CIIJHIZTJTWKKC-LBPRGKRZSA-N	0	1	295.314	1.451	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCCC[C@H]1C(=O)[O-]	ZINC001588444443	958360435	/nfs/dbraw/zinc/36/04/35/958360435.db2.gz	CPGKDMDWCWDSHL-VIFPVBQESA-N	0	1	262.147	1.877	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC001588987750	962764764	/nfs/dbraw/zinc/76/47/64/962764764.db2.gz	DGZRCIOMGOWOCO-DTWKUNHWSA-N	0	1	264.163	1.957	20	50		CDGDMN
C[N@H+](CC(=O)[O-])C[C@@H](CBr)C1CC1	ZINC001604112310	972513032	/nfs/dbraw/zinc/51/30/32/972513032.db2.gz	IUKQWNQPGWJELK-MRVPVSSYSA-N	0	1	250.136	1.424	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1	ZINC001588988144	962775539	/nfs/dbraw/zinc/77/55/39/962775539.db2.gz	UOCWNSXWBJGLEJ-YUMQZZPRSA-N	0	1	264.163	1.955	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCC[C@H](C(=O)[O-])C1	ZINC001588605503	983693038	/nfs/dbraw/zinc/69/30/38/983693038.db2.gz	KEZKLWMFJTWDJP-VIFPVBQESA-N	0	1	262.147	1.734	20	50		CDGDMN
C[C@]1(C(=O)[O-])CC[N@@H+](CCCI)C1	ZINC000833553422	605837596	/nfs/dbraw/zinc/83/75/96/605837596.db2.gz	DGEBHFGRTXGMPD-VIFPVBQESA-N	0	1	297.136	1.608	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589262367	957045691	/nfs/dbraw/zinc/04/56/91/957045691.db2.gz	NPIBZIDFBCLZOP-KICMGLQKSA-N	0	1	257.761	1.902	20	50		CDGDMN
C[C@H](CBr)C[N@@H+](C)C[C@H](C)C(=O)[O-]	ZINC001592213144	977271808	/nfs/dbraw/zinc/27/18/08/977271808.db2.gz	WDETVQPGOSKCKJ-SFYZADRCSA-N	0	1	252.152	1.670	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CC[C@@H](n3cc(C(=O)[O-])nn3)C2)[C@H]1Cl	ZINC001594187492	998725762	/nfs/dbraw/zinc/72/57/62/998725762.db2.gz	GNRJZQWBUCTIIK-DKIAZLNASA-N	0	1	284.747	1.096	20	50		CDGDMN
C[C@H]1[C@H](C[N@@H+]2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[C@H]1Cl	ZINC001589262368	957045740	/nfs/dbraw/zinc/04/57/40/957045740.db2.gz	NPIBZIDFBCLZOP-MYZJFNAXSA-N	0	1	257.761	1.902	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@H](C)CBr)[C@@H](C(=O)[O-])C1	ZINC001599125753	997843748	/nfs/dbraw/zinc/84/37/48/997843748.db2.gz	SIUCQGMDRJKTBV-OPRDCNLKSA-N	0	1	294.189	1.581	20	50		CDGDMN
CCC[N@H+](CC(=O)[O-])C[C@@H](C)CBr	ZINC001605309643	973128418	/nfs/dbraw/zinc/12/84/18/973128418.db2.gz	ZTBWOPLUGGJXNK-QMMMGPOBSA-N	0	1	252.152	1.814	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@@H]1CC(=O)[O-]	ZINC001592212404	977267330	/nfs/dbraw/zinc/26/73/30/977267330.db2.gz	RAKNPHRNMPNEOS-RKDXNWHRSA-N	0	1	264.163	1.957	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@@H](C(=O)[O-])[C@H]1C	ZINC001588605884	983695298	/nfs/dbraw/zinc/69/52/98/983695298.db2.gz	QEVNFPXWPIMFHD-RKDXNWHRSA-N	0	1	262.147	1.733	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2ccc(CC(=O)[O-])cc2)CC[N@H+]1C	ZINC001599882532	989504092	/nfs/dbraw/zinc/50/40/92/989504092.db2.gz	XIHJQPBPCTXOCW-ZWNOBZJWSA-N	0	1	291.351	1.097	20	50		CDGDMN
CO[C@@H]1C[N@@H+](C[C@H](C)CBr)[C@](C)(C(=O)[O-])C1	ZINC001599129446	997913838	/nfs/dbraw/zinc/91/38/38/997913838.db2.gz	FCJJPDRQHJTIPL-YWVKMMECSA-N	0	1	294.189	1.581	20	50		CDGDMN
C[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@@H](C)CN1C	ZINC001164634850	719232755	/nfs/dbraw/zinc/23/27/55/719232755.db2.gz	HSVNEPPWBCYQEM-MNOVXSKESA-N	0	1	296.802	1.788	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@@](COC)(C(=O)[O-])C1	ZINC001602711934	971352286	/nfs/dbraw/zinc/35/22/86/971352286.db2.gz	BVTJANLJQSTVMB-LLVKDONJSA-N	0	1	292.173	1.361	20	50		CDGDMN
CC[N@H+]1CCCC[C@@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001603760262	974203080	/nfs/dbraw/zinc/20/30/80/974203080.db2.gz	IXPASBUFEZITDB-LLVKDONJSA-N	0	1	292.339	1.097	20	50		CDGDMN
CC[N@@H+](CC(=O)NNc1cccc(F)c1C(=O)[O-])C1CC1	ZINC001596206519	983592879	/nfs/dbraw/zinc/59/28/79/983592879.db2.gz	FQCGRTLEAZSLHY-UHFFFAOYSA-N	0	1	295.314	1.451	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@H]1[C@H](Cl)[C@H]1C	ZINC001598754213	995694497	/nfs/dbraw/zinc/69/44/97/995694497.db2.gz	WYBCPNFWGVKZGH-UNQZSWDGSA-N	0	1	289.759	1.198	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@H]1[C@H](Cl)[C@H]1C	ZINC001598754213	995694499	/nfs/dbraw/zinc/69/44/99/995694499.db2.gz	WYBCPNFWGVKZGH-UNQZSWDGSA-N	0	1	289.759	1.198	20	50		CDGDMN
O=C([O-])[C@@H]1CCC[N@H+]1C[C@@H](CBr)C1CC1	ZINC001595167732	952211794	/nfs/dbraw/zinc/21/17/94/952211794.db2.gz	PZGLFMPCGCABOX-ZJUUUORDSA-N	0	1	276.174	1.957	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001603118784	972198279	/nfs/dbraw/zinc/19/82/79/972198279.db2.gz	JWPCZWXHDKWIOC-YWVKMMECSA-N	0	1	292.173	1.050	20	50		CDGDMN
CC[N@H+]1CCCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001603760263	974203187	/nfs/dbraw/zinc/20/31/87/974203187.db2.gz	IXPASBUFEZITDB-NSHDSACASA-N	0	1	292.339	1.097	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2ccccc2C(=O)[O-])CC[N@H+]1C	ZINC001599881882	989495997	/nfs/dbraw/zinc/49/59/97/989495997.db2.gz	CAIHIIQPRFGDOL-NXEZZACHSA-N	0	1	277.324	1.168	20	50		CDGDMN
C[C@@H]1CC[N@@H+](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001594415125	999553544	/nfs/dbraw/zinc/55/35/44/999553544.db2.gz	WLOSZGPNBOMSMR-SNVBAGLBSA-N	0	1	277.324	1.170	20	50		CDGDMN
CC(C)[N@@H+](CCCI)CC(=O)[O-]	ZINC000820024893	955464020	/nfs/dbraw/zinc/46/40/20/955464020.db2.gz	FYRTXTFBBKPPAK-UHFFFAOYSA-N	0	1	285.125	1.607	20	50		CDGDMN
COC[C@]1(C(=O)[O-])CC[N@@H+](C[C@@H]2[C@@H](C)[C@H]2Cl)C1	ZINC001593966689	956554556	/nfs/dbraw/zinc/55/45/56/956554556.db2.gz	MXISIKCDPLBFNW-BFLSOPEQSA-N	0	1	261.749	1.283	20	50		CDGDMN
Cc1cc(C)c(C(=O)NNc2ncc(F)cn2)cc1C=O	ZINC000793747012	729369890	/nfs/dbraw/zinc/36/98/90/729369890.db2.gz	MFLBACZRQBZFLW-UHFFFAOYSA-N	0	1	288.282	1.802	20	50		CDGDMN
Cc1cc(C)c(C(=O)NN=c2ncc(F)c[nH]2)cc1C=O	ZINC000793747012	729369891	/nfs/dbraw/zinc/36/98/91/729369891.db2.gz	MFLBACZRQBZFLW-UHFFFAOYSA-N	0	1	288.282	1.802	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC001592212320	977267295	/nfs/dbraw/zinc/26/72/95/977267295.db2.gz	QJQJYRWZDJMCCA-SFYZADRCSA-N	0	1	250.136	1.566	20	50		CDGDMN
CC[C@@H](C)[N@@H+](CCCI)CC(=O)[O-]	ZINC001594983917	982791505	/nfs/dbraw/zinc/79/15/05/982791505.db2.gz	UURFDOPEEAYEFY-MRVPVSSYSA-N	0	1	299.152	1.997	20	50		CDGDMN
C[N@H+](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)CC(C)(C)C	ZINC001598396549	991659320	/nfs/dbraw/zinc/65/93/20/991659320.db2.gz	LPJSCRWZTSIMGX-UHFFFAOYSA-N	0	1	294.355	1.201	20	50		CDGDMN
C[N@@H+](CC(=O)NN=c1ccc(C(=O)[O-])c[nH]1)CC(C)(C)C	ZINC001598396549	991659323	/nfs/dbraw/zinc/65/93/23/991659323.db2.gz	LPJSCRWZTSIMGX-UHFFFAOYSA-N	0	1	294.355	1.201	20	50		CDGDMN
C=C(CBr)C[N@H+](C)[C@H](CC)C(=O)[O-]	ZINC001588444778	958365683	/nfs/dbraw/zinc/36/56/83/958365683.db2.gz	RIXFYRJAACORII-MRVPVSSYSA-N	0	1	250.136	1.733	20	50		CDGDMN
C[C@@H]1[C@H](Cl)[C@@H]1C[N@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC001594187024	998722805	/nfs/dbraw/zinc/72/28/05/998722805.db2.gz	AVPFWKWTBQSFTN-SJQPAMGKSA-N	0	1	263.790	1.752	20	50		CDGDMN
C/C(C#N)=C/COc1ccc(F)nc1-c1nn[nH]n1	ZINC001573557900	946931224	/nfs/dbraw/zinc/93/12/24/946931224.db2.gz	AIRVXBPEFPTKKN-DAXSKMNVSA-N	0	1	260.232	1.249	20	50		CDGDMN
C=C(CBr)C[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C)C1	ZINC001602712627	971356957	/nfs/dbraw/zinc/35/69/57/971356957.db2.gz	VBMNISFFENYWDF-WCBMZHEXSA-N	0	1	276.174	1.980	20	50		CDGDMN
C#CC[N@@H+](CC(=O)[O-])C[C@H](CBr)C1CC1	ZINC001588424167	958213634	/nfs/dbraw/zinc/21/36/34/958213634.db2.gz	KNDJQNYVNNEYMA-JTQLQIEISA-N	0	1	274.158	1.427	20	50		CDGDMN
C#CC[N@H+](CC(=O)[O-])C[C@H](CBr)C1CC1	ZINC001588424167	958213641	/nfs/dbraw/zinc/21/36/41/958213641.db2.gz	KNDJQNYVNNEYMA-JTQLQIEISA-N	0	1	274.158	1.427	20	50		CDGDMN
C[C@@H]1C[N@@H+](Cc2ccccn2)CCC1=NNC(=O)[O-]	ZINC000736814072	978358377	/nfs/dbraw/zinc/35/83/77/978358377.db2.gz	HUVAGNHCBGDLST-SNVBAGLBSA-N	0	1	262.313	1.547	20	50		CDGDMN
CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001589815713	988254408	/nfs/dbraw/zinc/25/44/08/988254408.db2.gz	QIBXHJFLBUBESS-GFCCVEGCSA-N	0	1	291.351	1.701	20	50		CDGDMN
CC(C)(C)[N@H+]1CC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001589815713	988254418	/nfs/dbraw/zinc/25/44/18/988254418.db2.gz	QIBXHJFLBUBESS-GFCCVEGCSA-N	0	1	291.351	1.701	20	50		CDGDMN
C[C@H](C(=O)[O-])[N@H+](C[C@H](C)CBr)C1CC1	ZINC001588988141	962774691	/nfs/dbraw/zinc/77/46/91/962774691.db2.gz	UOCWNSXWBJGLEJ-HTQZYQBOSA-N	0	1	264.163	1.955	20	50		CDGDMN
C[C@@H]1[C@H](C(=O)NNc2cccc(C(=O)[O-])c2F)CC[N@H+]1C	ZINC001599882475	989503024	/nfs/dbraw/zinc/50/30/24/989503024.db2.gz	VGBYLOXCLQZUMI-RKDXNWHRSA-N	0	1	295.314	1.307	20	50		CDGDMN
C=CCCC(=O)NNc1oc(C(C)C)nc1-c1nn[nH]n1	ZINC000735408364	944647371	/nfs/dbraw/zinc/64/73/71/944647371.db2.gz	JZZGPHPZFOGYSQ-UHFFFAOYSA-N	0	1	291.315	1.387	20	50		CDGDMN
CCC[N@H+]1CCC[C@H]1C(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001589675217	949990976	/nfs/dbraw/zinc/99/09/76/949990976.db2.gz	PUPBMCHSCLPBNG-NSHDSACASA-N	0	1	292.339	1.097	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+]([C@H](C)C(=O)[O-])C1CC1	ZINC001588988142	962774352	/nfs/dbraw/zinc/77/43/52/962774352.db2.gz	UOCWNSXWBJGLEJ-JGVFFNPUSA-N	0	1	264.163	1.955	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+]1CCOC[C@H]1CC(=O)[O-]	ZINC001592212395	977267508	/nfs/dbraw/zinc/26/75/08/977267508.db2.gz	QZSMDYMKWVYQND-DTWKUNHWSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCOC[C@H]1CC(=O)[O-]	ZINC001592212395	977267512	/nfs/dbraw/zinc/26/75/12/977267512.db2.gz	QZSMDYMKWVYQND-DTWKUNHWSA-N	0	1	280.162	1.193	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1ccc(C)c(C(=O)[O-])c1	ZINC001595835840	982740421	/nfs/dbraw/zinc/74/04/21/982740421.db2.gz	VCXOMVQBDRYUHT-UHFFFAOYSA-N	0	1	279.340	1.478	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCSC[C@@H]1CC(=O)[O-]	ZINC001588605250	983691786	/nfs/dbraw/zinc/69/17/86/983691786.db2.gz	FJKCVRJGCKBIJH-VIFPVBQESA-N	0	1	294.214	1.830	20	50		CDGDMN
C=C(CBr)C[N@H+]1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588606304	983697160	/nfs/dbraw/zinc/69/71/60/983697160.db2.gz	WAMDQZOKJFGLIX-LLVKDONJSA-N	0	1	292.173	1.503	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCC[C@@]1(COC)C(=O)[O-]	ZINC001588606304	983697163	/nfs/dbraw/zinc/69/71/63/983697163.db2.gz	WAMDQZOKJFGLIX-LLVKDONJSA-N	0	1	292.173	1.503	20	50		CDGDMN
C[NH+](C)C1(C(=O)NNc2ccc(C(=O)[O-])c(F)c2)CC1	ZINC001598178148	990733856	/nfs/dbraw/zinc/73/38/56/990733856.db2.gz	DPUFNSYCCDAFTP-UHFFFAOYSA-N	0	1	281.287	1.061	20	50		CDGDMN
CSSCCNc1ccc(C(=O)[O-])c(C)[nH+]1	ZINC000397805791	973022201	/nfs/dbraw/zinc/02/22/01/973022201.db2.gz	DVNLHNDZOZHDDR-UHFFFAOYSA-N	0	1	258.368	1.933	20	50		CDGDMN
COC[C@]1(C(=O)[O-])CC[N@@H+](C[C@H]2[C@H](Cl)[C@H]2C)C1	ZINC001593966697	956555019	/nfs/dbraw/zinc/55/50/19/956555019.db2.gz	MXISIKCDPLBFNW-XNDJQWLSSA-N	0	1	261.749	1.283	20	50		CDGDMN
C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCI	ZINC001594220190	959365522	/nfs/dbraw/zinc/36/55/22/959365522.db2.gz	OKIBXXWMMXDPCZ-RNFRBKRXSA-N	0	1	283.109	1.359	20	50		CDGDMN
CC(C)[N@@H+](CCI)CC(=O)[O-]	ZINC001588918684	962357824	/nfs/dbraw/zinc/35/78/24/962357824.db2.gz	AMIXCGCOTKIJPX-UHFFFAOYSA-N	0	1	271.098	1.216	20	50		CDGDMN
CC[N@@H+](CC(=O)NNc1ccc(CC(=O)[O-])cc1)C1CC1	ZINC001596206464	983592241	/nfs/dbraw/zinc/59/22/41/983592241.db2.gz	BPMMLAMZCQQYBJ-UHFFFAOYSA-N	0	1	291.351	1.241	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@@H]1C[N@H+]1C[C@H]2COCC[C@@]2(C(=O)[O-])C1	ZINC001594191366	998748055	/nfs/dbraw/zinc/74/80/55/998748055.db2.gz	XBFYMTHBSTXCHS-ZTVLKNOQSA-N	0	1	273.760	1.283	20	50		CDGDMN
C[C@H]1CC[N@@H+](CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001594414478	999546549	/nfs/dbraw/zinc/54/65/49/999546549.db2.gz	HBELGZVQSUMYLD-VIFPVBQESA-N	0	1	295.314	1.309	20	50		CDGDMN
C[C@@H]1[C@@H](Cl)[C@H]1C[N@@H+]1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1	ZINC001589262369	957044425	/nfs/dbraw/zinc/04/44/25/957044425.db2.gz	NPIBZIDFBCLZOP-XENQEKTKSA-N	0	1	257.761	1.902	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001592210433	977253307	/nfs/dbraw/zinc/25/33/07/977253307.db2.gz	CALZVOTXJSDPEC-VGMNWLOBSA-N	0	1	280.162	1.191	20	50		CDGDMN
CC(=NNC(=O)C(=O)[O-])c1ccc(-n2cc[nH+]c2C)cc1	ZINC001589010543	984979633	/nfs/dbraw/zinc/97/96/33/984979633.db2.gz	AZVDBCBKLPGZPV-UHFFFAOYSA-N	0	1	286.291	1.106	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1cccc(C(=O)[O-])c1F	ZINC001591550636	992741895	/nfs/dbraw/zinc/74/18/95/992741895.db2.gz	JRCXJWIRYPGGMT-UHFFFAOYSA-N	0	1	283.303	1.307	20	50		CDGDMN
COCC[N@H+](CC(=O)[O-])C[C@@H](C)CBr	ZINC001599234411	997920884	/nfs/dbraw/zinc/92/08/84/997920884.db2.gz	VMAJAZRIXCCFQA-QMMMGPOBSA-N	0	1	268.151	1.050	20	50		CDGDMN
C=C(CBr)C[N@H+](C)[C@@H](CC)C(=O)[O-]	ZINC001588444779	958366298	/nfs/dbraw/zinc/36/62/98/958366298.db2.gz	RIXFYRJAACORII-QMMMGPOBSA-N	0	1	250.136	1.733	20	50		CDGDMN
C[C@H](CBr)C[N@@H+](C)CCCC(=O)[O-]	ZINC001603118506	972197454	/nfs/dbraw/zinc/19/74/54/972197454.db2.gz	BOZVRZLGDJGRLY-MRVPVSSYSA-N	0	1	252.152	1.814	20	50		CDGDMN
Cc1[nH]c(C[N@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)cc1C(=O)[O-]	ZINC001599964444	985871708	/nfs/dbraw/zinc/87/17/08/985871708.db2.gz	IXXLRJCCBDLNLF-URLYPYJESA-N	0	1	299.168	1.846	20	50		CDGDMN
Cc1[nH]c(C[N@@H+]2C[C@@H]3[C@@H](Br)[C@@H]3C2)cc1C(=O)[O-]	ZINC001599964444	985871714	/nfs/dbraw/zinc/87/17/14/985871714.db2.gz	IXXLRJCCBDLNLF-URLYPYJESA-N	0	1	299.168	1.846	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001591550967	992743539	/nfs/dbraw/zinc/74/35/39/992743539.db2.gz	PLEOPNXDNQEWRI-UHFFFAOYSA-N	0	1	283.303	1.307	20	50		CDGDMN
C[N@H+]1CC[C@H](CC(=O)NNc2ccc(CC(=O)[O-])cc2)C1	ZINC001598578826	993313424	/nfs/dbraw/zinc/31/34/24/993313424.db2.gz	DFCYRSKEZBJAKH-GFCCVEGCSA-N	0	1	291.351	1.099	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CCC[C@H](n3cc(C(=O)[O-])nn3)C2)[C@H]1Cl	ZINC001594187815	998728199	/nfs/dbraw/zinc/72/81/99/998728199.db2.gz	MHJHNFLBASUDNN-GMOBBJLQSA-N	0	1	298.774	1.487	20	50		CDGDMN
CC(C)[N@@H+](C)CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833495926	605732568	/nfs/dbraw/zinc/73/25/68/605732568.db2.gz	GKPSLCDIFXFRPT-UHFFFAOYSA-N	0	1	265.313	1.168	20	50		CDGDMN
C[C@@H]1CC[N@@H+](CC(=O)NNc2ccc(C(=O)[O-])cc2F)C1	ZINC001594414477	999546786	/nfs/dbraw/zinc/54/67/86/999546786.db2.gz	HBELGZVQSUMYLD-SECBINFHSA-N	0	1	295.314	1.309	20	50		CDGDMN
CO[C@@H]1C[N@@H+](C[C@@H](C)CBr)[C@](C)(C(=O)[O-])C1	ZINC001599129443	997913879	/nfs/dbraw/zinc/91/38/79/997913879.db2.gz	FCJJPDRQHJTIPL-QXEWZRGKSA-N	0	1	294.189	1.581	20	50		CDGDMN
C=C(CBr)C[N@H+]1CC[C@@H](C(=O)[O-])[C@@H](C)C1	ZINC001588444617	964064619	/nfs/dbraw/zinc/06/46/19/964064619.db2.gz	KPKQERKQYLMKFQ-VHSXEESVSA-N	0	1	276.174	1.980	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCCC[C@H]1C(=O)[O-]	ZINC001603118575	972197478	/nfs/dbraw/zinc/19/74/78/972197478.db2.gz	DGZRCIOMGOWOCO-BDAKNGLRSA-N	0	1	264.163	1.957	20	50		CDGDMN
COCC[N@H+](CC(=O)[O-])C[C@H](CBr)C1CC1	ZINC001593999810	956917471	/nfs/dbraw/zinc/91/74/71/956917471.db2.gz	IXPMRJYOFZTWNP-JTQLQIEISA-N	0	1	294.189	1.441	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CC[C@@H](C(=O)[O-])C1	ZINC001592210438	977253873	/nfs/dbraw/zinc/25/38/73/977253873.db2.gz	CAVSHECPRMUUIH-JGVFFNPUSA-N	0	1	250.136	1.424	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC001588605249	983691756	/nfs/dbraw/zinc/69/17/56/983691756.db2.gz	FJKCVRJGCKBIJH-SECBINFHSA-N	0	1	294.214	1.830	20	50		CDGDMN
CO[C@@H]1C[N@@H+](C[C@@H](C)CBr)[C@@](C)(C(=O)[O-])C1	ZINC001599129442	997914375	/nfs/dbraw/zinc/91/43/75/997914375.db2.gz	FCJJPDRQHJTIPL-ATZCPNFKSA-N	0	1	294.189	1.581	20	50		CDGDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC000833605407	605774930	/nfs/dbraw/zinc/77/49/30/605774930.db2.gz	ZJIBGJSMGKXKJG-PHIMTYICSA-N	0	1	291.351	1.701	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCSC[C@H]1CC(=O)[O-]	ZINC001592211543	977262328	/nfs/dbraw/zinc/26/23/28/977262328.db2.gz	MATAFWSOKXTLCU-DTWKUNHWSA-N	0	1	296.230	1.910	20	50		CDGDMN
C[N@H+]1CCC[C@H]1C(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001598602429	993578269	/nfs/dbraw/zinc/57/82/69/993578269.db2.gz	CLSWMMHLFHCWOV-NSHDSACASA-N	0	1	281.287	1.061	20	50		CDGDMN
COCC[N@H+](CC(=O)[O-])C[C@@H](CBr)C1CC1	ZINC001593999811	956918546	/nfs/dbraw/zinc/91/85/46/956918546.db2.gz	IXPMRJYOFZTWNP-SNVBAGLBSA-N	0	1	294.189	1.441	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@H]2[C@H](Cl)[C@H]2C)[C@@H](C(=O)[O-])C1	ZINC001599125706	997844240	/nfs/dbraw/zinc/84/42/40/997844240.db2.gz	RAZMLZGHCWXTKL-VPJKUYQRSA-N	0	1	261.749	1.424	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@@H](C(=O)[O-])C1	ZINC001588988212	962776226	/nfs/dbraw/zinc/77/62/26/962776226.db2.gz	WQTYAIICPYJQFW-RKDXNWHRSA-N	0	1	264.163	1.814	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@H]1CC(=O)[O-]	ZINC001592212402	977267641	/nfs/dbraw/zinc/26/76/41/977267641.db2.gz	RAKNPHRNMPNEOS-IUCAKERBSA-N	0	1	264.163	1.957	20	50		CDGDMN
CC(=NNC(=O)C(=O)[O-])[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC001589010584	984980667	/nfs/dbraw/zinc/98/06/67/984980667.db2.gz	CQMCPYMYWFUNKO-CYBMUJFWSA-N	0	1	289.335	1.085	20	50		CDGDMN
CC(C)c1nc(-c2nn[nH]n2)c(NNC(=O)C2(C)CC2)o1	ZINC000820203890	945380747	/nfs/dbraw/zinc/38/07/47/945380747.db2.gz	YVFMAIKIHTVFPQ-UHFFFAOYSA-N	0	1	291.315	1.221	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@H](C(=O)[O-])C1	ZINC001603119270	972200734	/nfs/dbraw/zinc/20/07/34/972200734.db2.gz	WQTYAIICPYJQFW-IUCAKERBSA-N	0	1	264.163	1.814	20	50		CDGDMN
CC[N@@H+](CC(=O)NNc1ccccc1C(=O)[O-])C1CC1	ZINC001596206524	983592767	/nfs/dbraw/zinc/59/27/67/983592767.db2.gz	GIZCBYKACWBSDR-UHFFFAOYSA-N	0	1	277.324	1.312	20	50		CDGDMN
O=C([O-])[C@@H]1CCC[N@H+]1CCCI	ZINC000821509602	955507716	/nfs/dbraw/zinc/50/77/16/955507716.db2.gz	QLXLQNRUARKWPS-ZETCQYMHSA-N	0	1	283.109	1.361	20	50		CDGDMN
N#CC1=CC[N@H+](CCOc2ccccc2C(=O)[O-])CC1	ZINC001610620331	970756816	/nfs/dbraw/zinc/75/68/16/970756816.db2.gz	LHGFTRRLNOLJJY-UHFFFAOYSA-N	0	1	272.304	1.919	20	50		CDGDMN
N#CC1=CC[N@@H+](CCOc2ccccc2C(=O)[O-])CC1	ZINC001610620331	970756823	/nfs/dbraw/zinc/75/68/23/970756823.db2.gz	LHGFTRRLNOLJJY-UHFFFAOYSA-N	0	1	272.304	1.919	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H]1[C@@H](C)[C@@H]1Cl	ZINC001598754197	995694515	/nfs/dbraw/zinc/69/45/15/995694515.db2.gz	WYBCPNFWGVKZGH-APLZJWDSSA-N	0	1	289.759	1.198	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1[C@@H](C)[C@@H]1Cl	ZINC001598754197	995694516	/nfs/dbraw/zinc/69/45/16/995694516.db2.gz	WYBCPNFWGVKZGH-APLZJWDSSA-N	0	1	289.759	1.198	20	50		CDGDMN
C[C@H]1[C@H](C[N@@H+](CCC(=O)[O-])C2CCOCC2)[C@H]1Cl	ZINC001603355505	972801504	/nfs/dbraw/zinc/80/15/04/972801504.db2.gz	PTWQQHZCDRPTDE-GAFUQQFSSA-N	0	1	275.776	1.815	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC001588988042	962773244	/nfs/dbraw/zinc/77/32/44/962773244.db2.gz	QJQJYRWZDJMCCA-JGVFFNPUSA-N	0	1	250.136	1.566	20	50		CDGDMN
CC[C@@H](C(=O)[O-])[N@@H+](C)CCCI	ZINC001589440942	954713242	/nfs/dbraw/zinc/71/32/42/954713242.db2.gz	FFLPVTXLGOHMOW-ZETCQYMHSA-N	0	1	285.125	1.607	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@@H](C)CBr)[C@H](C(=O)[O-])C1	ZINC001599125750	997845162	/nfs/dbraw/zinc/84/51/62/997845162.db2.gz	SIUCQGMDRJKTBV-AEJSXWLSSA-N	0	1	294.189	1.581	20	50		CDGDMN
O=C([O-])C[C@@H]1CCC[N@@H+](CCI)C1	ZINC001611413857	971034775	/nfs/dbraw/zinc/03/47/75/971034775.db2.gz	MJPXKGAFTWMCMQ-QMMMGPOBSA-N	0	1	297.136	1.608	20	50		CDGDMN
C[NH+](C)CC(=O)NNc1ccc(C(=O)[O-])c(Cl)c1	ZINC001598197082	990805120	/nfs/dbraw/zinc/80/51/20/990805120.db2.gz	SBTSJMMKQAOEDM-UHFFFAOYSA-N	0	1	271.704	1.043	20	50		CDGDMN
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CCC[N@@H+](C)CC(=O)NNc1ccc(F)c(C(=O)[O-])c1	ZINC001595835977	982740697	/nfs/dbraw/zinc/74/06/97/982740697.db2.gz	XWMSWDGJZCSDGR-UHFFFAOYSA-N	0	1	283.303	1.309	20	50		CDGDMN
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O=C([O-])[C@H]1CCCC[N@H+]1CCCI	ZINC000821510311	955508964	/nfs/dbraw/zinc/50/89/64/955508964.db2.gz	NYYNUJUUECENCA-MRVPVSSYSA-N	0	1	297.136	1.751	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001592213122	977271710	/nfs/dbraw/zinc/27/17/10/977271710.db2.gz	VXKKPUDQUIEVFX-DJLDLDEBSA-N	0	1	264.163	1.670	20	50		CDGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CC[C@](O)(C(=O)[O-])C1	ZINC001590451495	990013483	/nfs/dbraw/zinc/01/34/83/990013483.db2.gz	LSKAARQJFLLGRK-CYBMUJFWSA-N	0	1	289.448	1.530	20	50		CDGDMN
C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1CCCI	ZINC001594166443	998629988	/nfs/dbraw/zinc/62/99/88/998629988.db2.gz	UZOJMPIXKFGMGF-JGVFFNPUSA-N	0	1	297.136	1.607	20	50		CDGDMN
C[C@@H]1CC(=NNC(=O)C(=O)[O-])C[N@@H+](Cc2ccccc2)C1	ZINC001594195640	998758406	/nfs/dbraw/zinc/75/84/06/998758406.db2.gz	AKFITKJSDCGLEE-LLVKDONJSA-N	0	1	289.335	1.085	20	50		CDGDMN
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C=C(CBr)C[N@H+]1C[C@H](C)C[C@H](C(=O)[O-])C1	ZINC001602712626	971357022	/nfs/dbraw/zinc/35/70/22/971357022.db2.gz	VBMNISFFENYWDF-SCZZXKLOSA-N	0	1	276.174	1.980	20	50		CDGDMN
C=C(CBr)C[N@H+]1C[C@H](C)C[C@@H](C(=O)[O-])C1	ZINC001602712625	971357246	/nfs/dbraw/zinc/35/72/46/971357246.db2.gz	VBMNISFFENYWDF-PSASIEDQSA-N	0	1	276.174	1.980	20	50		CDGDMN
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C=C(CBr)C[N@H+]([C@@H](C)C(=O)[O-])C1CC1	ZINC001609626345	970428523	/nfs/dbraw/zinc/42/85/23/970428523.db2.gz	VHJWRLWFQOPYEB-QMMMGPOBSA-N	0	1	262.147	1.875	20	50		CDGDMN
COCC[N@@H+](CCC(=O)[O-])C[C@H](C)CBr	ZINC001604604775	973714958	/nfs/dbraw/zinc/71/49/58/973714958.db2.gz	QQWLPOARTWMVTM-SECBINFHSA-N	0	1	282.178	1.441	20	50		CDGDMN
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C=C(CBr)C[N@@H+](CC(=O)[O-])CC1CC1	ZINC001602712613	971357072	/nfs/dbraw/zinc/35/70/72/971357072.db2.gz	UQITUIJGKZJLAI-UHFFFAOYSA-N	0	1	262.147	1.734	20	50		CDGDMN
C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NN=c1[nH]cccc1C(=O)[O-]	ZINC001589324514	953890769	/nfs/dbraw/zinc/89/07/69/953890769.db2.gz	XEKRBNKYUFEXCS-AOOOYVTPSA-N	0	1	292.339	1.096	20	50		CDGDMN
CCC[N@H+]1CCC[C@@H]1C(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595907879	982985248	/nfs/dbraw/zinc/98/52/48/982985248.db2.gz	INGOHNJRFZOBBZ-CYBMUJFWSA-N	0	1	291.351	1.702	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@H]2[C@H](Cl)[C@H]2C)[C@H](C(=O)[O-])C1	ZINC001599125705	997844563	/nfs/dbraw/zinc/84/45/63/997844563.db2.gz	RAZMLZGHCWXTKL-UNQZSWDGSA-N	0	1	261.749	1.424	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1C[C@H]2COC[C@@]2(C(=O)[O-])C1	ZINC001603118781	972198391	/nfs/dbraw/zinc/19/83/91/972198391.db2.gz	JWPCZWXHDKWIOC-QXEWZRGKSA-N	0	1	292.173	1.050	20	50		CDGDMN
COc1cc(C(=O)[O-])ccc1NNC(=O)C[N@@H+](C)C(C)C	ZINC001599377143	998505502	/nfs/dbraw/zinc/50/55/02/998505502.db2.gz	LXKZVIVMHJYACP-UHFFFAOYSA-N	0	1	295.339	1.177	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CC[C@H](n3cc(C(=O)[O-])nn3)C2)[C@H]1Cl	ZINC001594187493	998725560	/nfs/dbraw/zinc/72/55/60/998725560.db2.gz	GNRJZQWBUCTIIK-KBIXCLLPSA-N	0	1	284.747	1.096	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1C[C@H](C)O[C@H](C(=O)[O-])C1	ZINC001592210431	977253099	/nfs/dbraw/zinc/25/30/99/977253099.db2.gz	CALZVOTXJSDPEC-CIUDSAMLSA-N	0	1	280.162	1.191	20	50		CDGDMN
C[C@@]1(C(=O)[O-])CCC[N@H+]1CCI	ZINC001599884081	989526214	/nfs/dbraw/zinc/52/62/14/989526214.db2.gz	XNCVDHBWYCDNPL-QMMMGPOBSA-N	0	1	283.109	1.361	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@@H]2[C@H](C)[C@@H]2Cl)[C@H](C(=O)[O-])C1	ZINC001599125703	997844840	/nfs/dbraw/zinc/84/48/40/997844840.db2.gz	RAZMLZGHCWXTKL-GEVSDDDWSA-N	0	1	261.749	1.424	20	50		CDGDMN
CO[C@@H]1CC[N@@H+](C[C@@H](C)CBr)[C@@H](C(=O)[O-])C1	ZINC001599125752	997845008	/nfs/dbraw/zinc/84/50/08/997845008.db2.gz	SIUCQGMDRJKTBV-IVZWLZJFSA-N	0	1	294.189	1.581	20	50		CDGDMN
C[C@@H](C(=O)[O-])[N@@H+](C)CCCI	ZINC000819888982	955460892	/nfs/dbraw/zinc/46/08/92/955460892.db2.gz	IODNGDUDZCVAFF-LURJTMIESA-N	0	1	271.098	1.216	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1cccc(C(=O)[O-])c1	ZINC001595835531	982737961	/nfs/dbraw/zinc/73/79/61/982737961.db2.gz	PPOXBBMPVPPECZ-UHFFFAOYSA-N	0	1	265.313	1.170	20	50		CDGDMN
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C[C@H](CBr)C[N@H+]1CCC[C@@H]1C(=O)[O-]	ZINC001588988041	962772927	/nfs/dbraw/zinc/77/29/27/962772927.db2.gz	QJQJYRWZDJMCCA-HTQZYQBOSA-N	0	1	250.136	1.566	20	50		CDGDMN
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C[C@@H](CBr)C[N@H+]1C[C@@H](C)O[C@H](C(=O)[O-])C1	ZINC001592210434	977253356	/nfs/dbraw/zinc/25/33/56/977253356.db2.gz	CALZVOTXJSDPEC-YIZRAAEISA-N	0	1	280.162	1.191	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1ccc(C(=O)[O-])c(F)c1	ZINC001595835508	982738235	/nfs/dbraw/zinc/73/82/35/982738235.db2.gz	PBSHRJXBGTZFKO-UHFFFAOYSA-N	0	1	283.303	1.309	20	50		CDGDMN
C[C@H]1[C@H](C[N@H+]2CCSC[C@@H]2CC(=O)[O-])[C@H]1Cl	ZINC001594187023	998722983	/nfs/dbraw/zinc/72/29/83/998722983.db2.gz	AVPFWKWTBQSFTN-KBIXCLLPSA-N	0	1	263.790	1.752	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1C[C@@H]1[C@@H](C)[C@H]1Cl	ZINC001598754212	995694579	/nfs/dbraw/zinc/69/45/79/995694579.db2.gz	WYBCPNFWGVKZGH-MVCUBJFGSA-N	0	1	289.759	1.198	20	50		CDGDMN
COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1C[C@@H]1[C@@H](C)[C@H]1Cl	ZINC001598754212	995694580	/nfs/dbraw/zinc/69/45/80/995694580.db2.gz	WYBCPNFWGVKZGH-MVCUBJFGSA-N	0	1	289.759	1.198	20	50		CDGDMN
C[C@@H](CBr)C[N@H+]1CCC[C@H]1C(=O)[O-]	ZINC001592212324	977267621	/nfs/dbraw/zinc/26/76/21/977267621.db2.gz	QJQJYRWZDJMCCA-YUMQZZPRSA-N	0	1	250.136	1.566	20	50		CDGDMN
C[C@H](CBr)C[N@@H+]1CCOC[C@@H]1CC(=O)[O-]	ZINC001592212393	977267227	/nfs/dbraw/zinc/26/72/27/977267227.db2.gz	QZSMDYMKWVYQND-BDAKNGLRSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCOC[C@@H]1CC(=O)[O-]	ZINC001592212393	977267232	/nfs/dbraw/zinc/26/72/32/977267232.db2.gz	QZSMDYMKWVYQND-BDAKNGLRSA-N	0	1	280.162	1.193	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCC[C@H]1CC(=O)[O-]	ZINC001592212400	977267579	/nfs/dbraw/zinc/26/75/79/977267579.db2.gz	RAKNPHRNMPNEOS-BDAKNGLRSA-N	0	1	264.163	1.957	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@H](C(=O)[O-])[C@@H]1C	ZINC001588605883	983695178	/nfs/dbraw/zinc/69/51/78/983695178.db2.gz	QEVNFPXWPIMFHD-IUCAKERBSA-N	0	1	262.147	1.733	20	50		CDGDMN
C[N@H+]1CC[C@@H](CC(=O)NNc2ccc(CC(=O)[O-])cc2)C1	ZINC001598578829	993313970	/nfs/dbraw/zinc/31/39/70/993313970.db2.gz	DFCYRSKEZBJAKH-LBPRGKRZSA-N	0	1	291.351	1.099	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1C[C@@H](C)[C@H](C(=O)[O-])C1	ZINC001592213123	977271763	/nfs/dbraw/zinc/27/17/63/977271763.db2.gz	VXKKPUDQUIEVFX-IWSPIJDZSA-N	0	1	264.163	1.670	20	50		CDGDMN
C[C@H]1CC[N@@H+](CC(=O)NNc2cccc(C(=O)[O-])c2)C1	ZINC001594415123	999553581	/nfs/dbraw/zinc/55/35/81/999553581.db2.gz	WLOSZGPNBOMSMR-JTQLQIEISA-N	0	1	277.324	1.170	20	50		CDGDMN
CC(C)[N@@H+](CCCI)CCC(=O)[O-]	ZINC000833498909	605835471	/nfs/dbraw/zinc/83/54/71/605835471.db2.gz	YYOXVYYABAFGRW-UHFFFAOYSA-N	0	1	299.152	1.997	20	50		CDGDMN
C[C@@H](CBr)C[N@@H+](C)C[C@@H](C)C(=O)[O-]	ZINC001592213143	977271468	/nfs/dbraw/zinc/27/14/68/977271468.db2.gz	WDETVQPGOSKCKJ-JGVFFNPUSA-N	0	1	252.152	1.670	20	50		CDGDMN
C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1CCCI	ZINC001594166444	998630211	/nfs/dbraw/zinc/63/02/11/998630211.db2.gz	UZOJMPIXKFGMGF-SFYZADRCSA-N	0	1	297.136	1.607	20	50		CDGDMN
C[C@@H](C(=O)[O-])[N@@H+](CCI)C1CC1	ZINC001609708341	970485400	/nfs/dbraw/zinc/48/54/00/970485400.db2.gz	DWQKQTYJYIUGNW-LURJTMIESA-N	0	1	283.109	1.359	20	50		CDGDMN
C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CCCI	ZINC001594220400	959366610	/nfs/dbraw/zinc/36/66/10/959366610.db2.gz	ZQPPAPPQEQKQQX-HTQZYQBOSA-N	0	1	297.136	1.749	20	50		CDGDMN
C[C@H](CBr)C[N@H+]1CCCC[C@@H]1C(=O)[O-]	ZINC001588987751	962765278	/nfs/dbraw/zinc/76/52/78/962765278.db2.gz	DGZRCIOMGOWOCO-RKDXNWHRSA-N	0	1	264.163	1.957	20	50		CDGDMN
C[C@@H]1CN(c2ncccc2NC(=O)CCl)[C@H](C)CN1C	ZINC001164634849	719232821	/nfs/dbraw/zinc/23/28/21/719232821.db2.gz	HSVNEPPWBCYQEM-GHMZBOCLSA-N	0	1	296.802	1.788	20	50		CDGDMN
CC[N@@H+](CCI)[C@H](C)C(=O)[O-]	ZINC001589733583	950506352	/nfs/dbraw/zinc/50/63/52/950506352.db2.gz	ANZSASJQLIPWJC-ZCFIWIBFSA-N	0	1	271.098	1.216	20	50		CDGDMN
O=C([O-])[C@H]1CC[N@@H+](CCCI)C1	ZINC000821511299	955509286	/nfs/dbraw/zinc/50/92/86/955509286.db2.gz	GZWKLTSTIBRAMQ-ZETCQYMHSA-N	0	1	283.109	1.218	20	50		CDGDMN
C[N@H+](CC(=O)[O-])C[C@H](CBr)C1CC1	ZINC001604112311	972513544	/nfs/dbraw/zinc/51/35/44/972513544.db2.gz	IUKQWNQPGWJELK-QMMMGPOBSA-N	0	1	250.136	1.424	20	50		CDGDMN
CCC[N@@H+](C)CC(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001595835905	982741052	/nfs/dbraw/zinc/74/10/52/982741052.db2.gz	WMSAVIWLIDXPEQ-UHFFFAOYSA-N	0	1	279.340	1.099	20	50		CDGDMN
CC(C)(C)[Si](C)(C)OCC[N@H+]1CC[C@@](O)(C(=O)[O-])C1	ZINC001590451496	990013585	/nfs/dbraw/zinc/01/35/85/990013585.db2.gz	LSKAARQJFLLGRK-ZDUSSCGKSA-N	0	1	289.448	1.530	20	50		CDGDMN
C=C(CBr)C[N@@H+]1CC[C@](C)(C(=O)[O-])C1	ZINC001588605939	983695599	/nfs/dbraw/zinc/69/55/99/983695599.db2.gz	ROZKUSZXSYNJPQ-JTQLQIEISA-N	0	1	262.147	1.734	20	50		CDGDMN
CCO/C=C(/C#N)C(=O)Nc1cccc(-c2nn[nH]n2)c1	ZINC000825583158	607525717	/nfs/dbraw/zinc/52/57/17/607525717.db2.gz	QYZVTZKYASPWIK-NTMALXAHSA-N	0	1	284.279	1.249	20	50		CDGDMN
C=C(CBr)C[N@H+]1C[C@H]2[C@H](C(=O)[O-])[C@H]2C1	ZINC001588605291	983691984	/nfs/dbraw/zinc/69/19/84/983691984.db2.gz	GGPRMVJAIRNGQE-BRPSZJMVSA-N	0	1	260.131	1.200	20	50		CDGDMN
C[N@@H+]1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001598599543	993555193	/nfs/dbraw/zinc/55/51/93/993555193.db2.gz	TYCDGGXEQIACMV-CYBMUJFWSA-N	0	1	291.351	1.241	20	50		CDGDMN
C[N@H+]1CCCC[C@@H]1C(=O)NNc1ccc(CC(=O)[O-])cc1	ZINC001598599543	993555199	/nfs/dbraw/zinc/55/51/99/993555199.db2.gz	TYCDGGXEQIACMV-CYBMUJFWSA-N	0	1	291.351	1.241	20	50		CDGDMN