smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N@H+](CC[N+](=O)[O-])CC(C)(C)O	308213166	573006023	/nfs/dbraw/zinc/00/60/23/573006023.db2.gz	HNKRMIPTMDWSCV-UHFFFAOYSA-N	1	0	190.243	0.356	20	5		ACBDRO
O=[N+]([O-])CC[N@H+]1CCC[C@@H]1CCO	1119744506	757802659	/nfs/dbraw/zinc/80/26/59/757802659.db2.gz	DANCZWINMPJQGW-MRVPVSSYSA-N	1	0	188.227	0.110	20	5		ACBDRO
O=[N+]([O-])CC[N@H+]1CCC[C@H]1CCO	1119744507	757803500	/nfs/dbraw/zinc/80/35/00/757803500.db2.gz	DANCZWINMPJQGW-QMMMGPOBSA-N	1	0	188.227	0.110	20	5		ACBDRO
CC(C)[C@](C)(O)C[NH2+]CC[N+](=O)[O-]	1120489044	757807560	/nfs/dbraw/zinc/80/75/60/757807560.db2.gz	NGMBAZRFDVPSDO-MRVPVSSYSA-N	1	0	190.243	0.260	20	5		ACBDRO
C[NH+](C)C(C)(C)CNCC[N+](=O)[O-]	1120480164	757808626	/nfs/dbraw/zinc/80/86/26/757808626.db2.gz	MGOGSAJKBBLZMQ-UHFFFAOYSA-N	1	0	189.259	0.193	20	5		ACBDRO
CC(C)[C@@](C)(O)C[NH2+]CC[N+](=O)[O-]	1120489045	757809312	/nfs/dbraw/zinc/80/93/12/757809312.db2.gz	NGMBAZRFDVPSDO-QMMMGPOBSA-N	1	0	190.243	0.260	20	5		ACBDRO
CC[C@@](C)(O)C[NH2+]CC[N+](=O)[O-]	1120574904	757811361	/nfs/dbraw/zinc/81/13/61/757811361.db2.gz	SHKFDRMTEIXXTM-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC(C)[N@H+](C)CCNCC[N+](=O)[O-]	1120577312	757811756	/nfs/dbraw/zinc/81/17/56/757811756.db2.gz	WOMUOXPVFKNKBU-UHFFFAOYSA-N	1	0	189.259	0.193	20	5		ACBDRO
CC[C@](C)(O)C[NH2+]CC[N+](=O)[O-]	1120574905	757812405	/nfs/dbraw/zinc/81/24/05/757812405.db2.gz	SHKFDRMTEIXXTM-ZETCQYMHSA-N	1	0	176.216	0.014	20	5		ACBDRO
C[C@H]([NH2+]CC[N+](=O)[O-])C1CC1	1120582379	757813190	/nfs/dbraw/zinc/81/31/90/757813190.db2.gz	ILZWWCPBPFMDAH-LURJTMIESA-N	1	0	158.201	0.651	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1C=CCC1	1120583804	757813344	/nfs/dbraw/zinc/81/33/44/757813344.db2.gz	WLVMYVYGYGGKAO-SSDOTTSWSA-N	1	0	156.185	0.571	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H]1C=CCC1	1120583805	757814235	/nfs/dbraw/zinc/81/42/35/757814235.db2.gz	WLVMYVYGYGGKAO-ZETCQYMHSA-N	1	0	156.185	0.571	20	5		ACBDRO
C[C@@H](Cn1cccn1)[NH2+]CC[N+](=O)[O-]	308665530	573663105	/nfs/dbraw/zinc/66/31/05/573663105.db2.gz	SFXZMSWGWAHURH-QMMMGPOBSA-N	1	0	198.226	0.138	20	5		ACBDRO
C[N@H+](CC[N+](=O)[O-])C1CCC1	307733863	673922153	/nfs/dbraw/zinc/92/21/53/673922153.db2.gz	TYVCUNZUKFJSTF-UHFFFAOYSA-N	1	0	158.201	0.747	20	5		ACBDRO
CC[N@H+](CC[N+](=O)[O-])C[C@H](C)OC	930541017	674053427	/nfs/dbraw/zinc/05/34/27/674053427.db2.gz	SOYBIGWCRVSWJO-QMMMGPOBSA-N	1	0	190.243	0.620	20	5		ACBDRO
C[N@H+](CC[N+](=O)[O-])C1(CO)CCC1	930553613	674052823	/nfs/dbraw/zinc/05/28/23/674052823.db2.gz	ARABVIZBGJLXNL-UHFFFAOYSA-N	1	0	188.227	0.110	20	5		ACBDRO
CC1(C)[C@H](O)C[C@H]1[NH2+]CC[N+](=O)[O-]	930631713	674054899	/nfs/dbraw/zinc/05/48/99/674054899.db2.gz	GORKBEWQVRYLIK-RNFRBKRXSA-N	1	0	188.227	0.012	20	5		ACBDRO
CCOCC(C)(C)[NH2+]CC[N+](=O)[O-]	930578496	674053012	/nfs/dbraw/zinc/05/30/12/674053012.db2.gz	VJSDDVCDEHUQTQ-UHFFFAOYSA-N	1	0	190.243	0.668	20	5		ACBDRO
CC[N@H+](CC[N+](=O)[O-])C[C@@H](C)OC	930541016	674053735	/nfs/dbraw/zinc/05/37/35/674053735.db2.gz	SOYBIGWCRVSWJO-MRVPVSSYSA-N	1	0	190.243	0.620	20	5		ACBDRO
O=[N+]([O-])CC[N@H+]1CCC[C@@H](O)CC1	930590899	674054191	/nfs/dbraw/zinc/05/41/91/674054191.db2.gz	UPAWXQRYUGZEOL-MRVPVSSYSA-N	1	0	188.227	0.110	20	5		ACBDRO
C[C@@H]([N@H+](C)CC[N+](=O)[O-])C(C)(C)O	930614378	674054239	/nfs/dbraw/zinc/05/42/39/674054239.db2.gz	XMZZUMVQTLIXIK-SSDOTTSWSA-N	1	0	190.243	0.354	20	5		ACBDRO
O=[N+]([O-])CC[N@H+]1CCC[C@H](O)CC1	930590900	674054705	/nfs/dbraw/zinc/05/47/05/674054705.db2.gz	UPAWXQRYUGZEOL-QMMMGPOBSA-N	1	0	188.227	0.110	20	5		ACBDRO
CC1(C)[C@@H]([NH2+]CC[N+](=O)[O-])C[C@H]1O	930631712	674054462	/nfs/dbraw/zinc/05/44/62/674054462.db2.gz	GORKBEWQVRYLIK-NKWVEPMBSA-N	1	0	188.227	0.012	20	5		ACBDRO
CO[C@@H]1CCC[C@H]1[NH2+]CC[N+](=O)[O-]	930640796	674054744	/nfs/dbraw/zinc/05/47/44/674054744.db2.gz	ONZHWZVDNJHIRC-HTQZYQBOSA-N	1	0	188.227	0.420	20	5		ACBDRO
CC1(C)[C@@H](O)C[C@@H]1[NH2+]CC[N+](=O)[O-]	930631711	674054842	/nfs/dbraw/zinc/05/48/42/674054842.db2.gz	GORKBEWQVRYLIK-BQBZGAKWSA-N	1	0	188.227	0.012	20	5		ACBDRO
CC1(C)[C@@H](O)C[C@H]1[NH2+]CC[N+](=O)[O-]	930631714	674054892	/nfs/dbraw/zinc/05/48/92/674054892.db2.gz	GORKBEWQVRYLIK-RQJHMYQMSA-N	1	0	188.227	0.012	20	5		ACBDRO
C[N@H+](CC[N+](=O)[O-])CC(C)(C)CO	930606473	674055064	/nfs/dbraw/zinc/05/50/64/674055064.db2.gz	QEHWAXRNOBXNSR-UHFFFAOYSA-N	1	0	190.243	0.213	20	5		ACBDRO
C[C@H]([N@H+](C)CC[N+](=O)[O-])C(C)(C)O	930614381	674055104	/nfs/dbraw/zinc/05/51/04/674055104.db2.gz	XMZZUMVQTLIXIK-ZETCQYMHSA-N	1	0	190.243	0.354	20	5		ACBDRO
CO[C@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1	1262490536	1170130548	/nfs/dbraw/zinc/13/05/48/1170130548.db2.gz	YLVBNXZNWJXTTC-SFYZADRCSA-N	1	0	188.227	0.420	20	5		ACBDRO
CO[C@@H]1CC[C@@H]([NH2+]CC[N+](=O)[O-])C1	1262490534	1170130631	/nfs/dbraw/zinc/13/06/31/1170130631.db2.gz	YLVBNXZNWJXTTC-HTQZYQBOSA-N	1	0	188.227	0.420	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1CCOCC1	1262481299	1170131209	/nfs/dbraw/zinc/13/12/09/1170131209.db2.gz	NZNUUVTVVJZDBM-UHFFFAOYSA-N	1	0	174.200	0.032	20	5		ACBDRO
CO[C@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1	1262490537	1170131331	/nfs/dbraw/zinc/13/13/31/1170131331.db2.gz	YLVBNXZNWJXTTC-YUMQZZPRSA-N	1	0	188.227	0.420	20	5		ACBDRO
CO[C@@H]1CC[C@H]([NH2+]CC[N+](=O)[O-])C1	1262490535	1170131591	/nfs/dbraw/zinc/13/15/91/1170131591.db2.gz	YLVBNXZNWJXTTC-JGVFFNPUSA-N	1	0	188.227	0.420	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1cnoc1	1262566751	1170132039	/nfs/dbraw/zinc/13/20/39/1170132039.db2.gz	ZEPSLYFLYDJMBL-UHFFFAOYSA-N	1	0	185.183	0.083	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H](CO)CC1CC1	1262566539	1170132688	/nfs/dbraw/zinc/13/26/88/1170132688.db2.gz	SLNMZHMMQIVBAM-MRVPVSSYSA-N	1	0	188.227	0.014	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H](CO)CC1CC1	1262566540	1170132697	/nfs/dbraw/zinc/13/26/97/1170132697.db2.gz	SLNMZHMMQIVBAM-QMMMGPOBSA-N	1	0	188.227	0.014	20	5		ACBDRO
C[C@@H]([NH3+])Cn1ccc(=O)c([N+](=O)[O-])c1	1326330821	1170237991	/nfs/dbraw/zinc/23/79/91/1170237991.db2.gz	QKKYQNWRBMMMEI-ZCFIWIBFSA-N	1	0	197.194	0.104	20	5		ACBDRO
C[C@H]([NH3+])Cn1ccc(=O)c([N+](=O)[O-])c1	1326330820	1170238727	/nfs/dbraw/zinc/23/87/27/1170238727.db2.gz	QKKYQNWRBMMMEI-LURJTMIESA-N	1	0	197.194	0.104	20	5		ACBDRO
C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCOC1	1332853036	1170313546	/nfs/dbraw/zinc/31/35/46/1170313546.db2.gz	IBKJPJCMIOCXKG-JGVFFNPUSA-N	1	0	188.227	0.278	20	5		ACBDRO
C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H]1CCOC1	1332853035	1170314298	/nfs/dbraw/zinc/31/42/98/1170314298.db2.gz	IBKJPJCMIOCXKG-HTQZYQBOSA-N	1	0	188.227	0.278	20	5		ACBDRO
C[C@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCOC1	1332853038	1170314283	/nfs/dbraw/zinc/31/42/83/1170314283.db2.gz	IBKJPJCMIOCXKG-YUMQZZPRSA-N	1	0	188.227	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1(C2CC2)CC1	1332866198	1170314956	/nfs/dbraw/zinc/31/49/56/1170314956.db2.gz	KLIHPUORCZCYBG-UHFFFAOYSA-N	1	0	170.212	0.795	20	5		ACBDRO
C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H]1CCOC1	1332853037	1170315208	/nfs/dbraw/zinc/31/52/08/1170315208.db2.gz	IBKJPJCMIOCXKG-SFYZADRCSA-N	1	0	188.227	0.278	20	5		ACBDRO
C[C@]1(CO)CCC[N@@H+]1CC[N+](=O)[O-]	1334072502	1170337134	/nfs/dbraw/zinc/33/71/34/1170337134.db2.gz	XFXHAYURNMXMIU-MRVPVSSYSA-N	1	0	188.227	0.110	20	5		ACBDRO
C[C@@]1(CO)CCC[N@@H+]1CC[N+](=O)[O-]	1334072503	1170338662	/nfs/dbraw/zinc/33/86/62/1170338662.db2.gz	XFXHAYURNMXMIU-QMMMGPOBSA-N	1	0	188.227	0.110	20	5		ACBDRO
CC(C)[C@@H](CCO)[NH2+]CC[N+](=O)[O-]	1334766770	1170343899	/nfs/dbraw/zinc/34/38/99/1170343899.db2.gz	KZVPEFMIJFWHJR-MRVPVSSYSA-N	1	0	190.243	0.260	20	5		ACBDRO
CC(C)[C@H](CCO)[NH2+]CC[N+](=O)[O-]	1334766771	1170345585	/nfs/dbraw/zinc/34/55/85/1170345585.db2.gz	KZVPEFMIJFWHJR-QMMMGPOBSA-N	1	0	190.243	0.260	20	5		ACBDRO
CC[C@@]1([NH2+]CC[N+](=O)[O-])CCOC1	1334871190	1170346246	/nfs/dbraw/zinc/34/62/46/1170346246.db2.gz	PLJFGZHIEGIUEF-MRVPVSSYSA-N	1	0	188.227	0.422	20	5		ACBDRO
O=[N+]([O-])CC[N@@H+](CCO)C1CCC1	1334854356	1170346285	/nfs/dbraw/zinc/34/62/85/1170346285.db2.gz	IOFUQCZLRRDLIW-UHFFFAOYSA-N	1	0	188.227	0.110	20	5		ACBDRO
CC[C@]1([NH2+]CC[N+](=O)[O-])CCOC1	1334871191	1170347559	/nfs/dbraw/zinc/34/75/59/1170347559.db2.gz	PLJFGZHIEGIUEF-QMMMGPOBSA-N	1	0	188.227	0.422	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCC(F)F	1335407832	1170355176	/nfs/dbraw/zinc/35/51/76/1170355176.db2.gz	KPALZPZEIRBDJU-UHFFFAOYSA-N	1	0	168.143	0.508	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1ccon1	1335398820	1170355786	/nfs/dbraw/zinc/35/57/86/1170355786.db2.gz	SKFBZDBEFVZCOM-UHFFFAOYSA-N	1	0	185.183	0.083	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2	1335326359	1170356011	/nfs/dbraw/zinc/35/60/11/1170356011.db2.gz	DQNIISCVZXUCCW-PRJMDXOYSA-N	1	0	186.211	0.173	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1(O)CCCC1	1335399911	1170356934	/nfs/dbraw/zinc/35/69/34/1170356934.db2.gz	KTKZGLRAITXWGA-UHFFFAOYSA-N	1	0	188.227	0.158	20	5		ACBDRO
CCC(O)(CC)C[NH2+]CC[N+](=O)[O-]	1335369939	1170357048	/nfs/dbraw/zinc/35/70/48/1170357048.db2.gz	ZMECMBGJILIVCS-UHFFFAOYSA-N	1	0	190.243	0.404	20	5		ACBDRO
COC[C@H]([NH2+]CC[N+](=O)[O-])C1CC1	1335619050	1170358650	/nfs/dbraw/zinc/35/86/50/1170358650.db2.gz	WXHWLWYHOAROQZ-QMMMGPOBSA-N	1	0	188.227	0.278	20	5		ACBDRO
COC[C@@H]([NH2+]CC[N+](=O)[O-])C1CC1	1335619049	1170359949	/nfs/dbraw/zinc/35/99/49/1170359949.db2.gz	WXHWLWYHOAROQZ-MRVPVSSYSA-N	1	0	188.227	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCN1CC=CCC1	1335969054	1170363887	/nfs/dbraw/zinc/36/38/87/1170363887.db2.gz	OBLSEDHEKCBALE-UHFFFAOYSA-N	1	0	199.254	0.115	20	5		ACBDRO
C[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)O	1335968791	1170364003	/nfs/dbraw/zinc/36/40/03/1170364003.db2.gz	JSCYRGRWTDSWCB-LURJTMIESA-N	1	0	176.216	0.012	20	5		ACBDRO
CSC(C)(C)C[NH2+]CC[N+](=O)[O-]	1335968959	1170364474	/nfs/dbraw/zinc/36/44/74/1170364474.db2.gz	MKIPJMWRTFSRKV-UHFFFAOYSA-N	1	0	192.284	0.994	20	5		ACBDRO
CC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)(C)O	1335987561	1170365476	/nfs/dbraw/zinc/36/54/76/1170365476.db2.gz	XNCYOCKCKGAUOM-SSDOTTSWSA-N	1	0	190.243	0.402	20	5		ACBDRO
CC[C@H]([NH2+]CC[N+](=O)[O-])C(C)(C)O	1335987562	1170367250	/nfs/dbraw/zinc/36/72/50/1170367250.db2.gz	XNCYOCKCKGAUOM-ZETCQYMHSA-N	1	0	190.243	0.402	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1C=CCCC1	1336296698	1170367717	/nfs/dbraw/zinc/36/77/17/1170367717.db2.gz	WWJDFJBQLMQIAJ-MRVPVSSYSA-N	1	0	170.212	0.961	20	5		ACBDRO
COC[C@@H]([NH2+]CC[N+](=O)[O-])C(C)C	1336247288	1170368443	/nfs/dbraw/zinc/36/84/43/1170368443.db2.gz	ZASSFSSYILMBEZ-MRVPVSSYSA-N	1	0	190.243	0.524	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H]1C=CCCC1	1336296700	1170368782	/nfs/dbraw/zinc/36/87/82/1170368782.db2.gz	WWJDFJBQLMQIAJ-QMMMGPOBSA-N	1	0	170.212	0.961	20	5		ACBDRO
COC[C@H]([NH2+]CC[N+](=O)[O-])C(C)C	1336247289	1170369838	/nfs/dbraw/zinc/36/98/38/1170369838.db2.gz	ZASSFSSYILMBEZ-QMMMGPOBSA-N	1	0	190.243	0.524	20	5		ACBDRO
O=[N+]([O-])CCNCc1ccns1	1336711402	1170380788	/nfs/dbraw/zinc/38/07/88/1170380788.db2.gz	XHQHRXXBYRUNHD-UHFFFAOYSA-N	1	0	187.224	0.509	20	5		ACBDRO
C[C@@H](CCNCC[N+](=O)[O-])[NH+](C)C	1336752841	1170381668	/nfs/dbraw/zinc/38/16/68/1170381668.db2.gz	AGOKLFNRWKCIAK-QMMMGPOBSA-N	1	0	189.259	0.193	20	5		ACBDRO
C[C@H](CCNCC[N+](=O)[O-])[NH+](C)C	1336752840	1170381815	/nfs/dbraw/zinc/38/18/15/1170381815.db2.gz	AGOKLFNRWKCIAK-MRVPVSSYSA-N	1	0	189.259	0.193	20	5		ACBDRO
CO[C@@]1(C)C[C@H]1[NH2+]CC[N+](=O)[O-]	1336844411	1170382635	/nfs/dbraw/zinc/38/26/35/1170382635.db2.gz	GWSBKVKAQFTLIV-RQJHMYQMSA-N	1	0	174.200	0.030	20	5		ACBDRO
C[C@H]([NH2+]CC[N+](=O)[O-])C1(CO)CC1	1336849624	1170383307	/nfs/dbraw/zinc/38/33/07/1170383307.db2.gz	XCJQIGAQDSJZPK-ZETCQYMHSA-N	1	0	188.227	0.014	20	5		ACBDRO
C[C@@H]([NH2+]CC[N+](=O)[O-])C1(CO)CC1	1336849621	1170383890	/nfs/dbraw/zinc/38/38/90/1170383890.db2.gz	XCJQIGAQDSJZPK-SSDOTTSWSA-N	1	0	188.227	0.014	20	5		ACBDRO
CC(C)(C)[C@H](CO)[NH2+]CC[N+](=O)[O-]	1337780411	1170399760	/nfs/dbraw/zinc/39/97/60/1170399760.db2.gz	SJRGIBISUZRQPM-ZETCQYMHSA-N	1	0	190.243	0.260	20	5		ACBDRO
CC(C)(C)[C@@H](CO)[NH2+]CC[N+](=O)[O-]	1337780410	1170402171	/nfs/dbraw/zinc/40/21/71/1170402171.db2.gz	SJRGIBISUZRQPM-SSDOTTSWSA-N	1	0	190.243	0.260	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCCC(F)F	1337871740	1170404866	/nfs/dbraw/zinc/40/48/66/1170404866.db2.gz	HDNAYBNHMIYSRC-UHFFFAOYSA-N	1	0	182.170	0.898	20	5		ACBDRO
CC[C@@H](C)[NH2+]CC[N+](=O)[O-]	1338424652	1170410399	/nfs/dbraw/zinc/41/03/99/1170410399.db2.gz	ULVQAXPURBDCGR-ZCFIWIBFSA-N	1	0	146.190	0.651	20	5		ACBDRO
CC(C)C[NH2+]CC[N+](=O)[O-]	1338422765	1170410465	/nfs/dbraw/zinc/41/04/65/1170410465.db2.gz	LFQYLZFLWAWITE-UHFFFAOYSA-N	1	0	146.190	0.509	20	5		ACBDRO
C[C@@H](CNCC[N+](=O)[O-])C[NH+](C)C	1338472822	1170411015	/nfs/dbraw/zinc/41/10/15/1170411015.db2.gz	DUMTZHRTJWLSIC-QMMMGPOBSA-N	1	0	189.259	0.050	20	5		ACBDRO
C[C@H](CNCC[N+](=O)[O-])C[NH+](C)C	1338472821	1170411620	/nfs/dbraw/zinc/41/16/20/1170411620.db2.gz	DUMTZHRTJWLSIC-MRVPVSSYSA-N	1	0	189.259	0.050	20	5		ACBDRO
CC[C@H](C)[NH2+]CC[N+](=O)[O-]	1338424651	1170411650	/nfs/dbraw/zinc/41/16/50/1170411650.db2.gz	ULVQAXPURBDCGR-LURJTMIESA-N	1	0	146.190	0.651	20	5		ACBDRO
C[C@@H]1OCC[C@@]1(C)[NH2+]CC[N+](=O)[O-]	1341360510	1170434307	/nfs/dbraw/zinc/43/43/07/1170434307.db2.gz	PLZIHNLPFSSZKS-JGVFFNPUSA-N	1	0	188.227	0.420	20	5		ACBDRO
C[C@@H]1OCC[C@]1(C)[NH2+]CC[N+](=O)[O-]	1341360515	1170434934	/nfs/dbraw/zinc/43/49/34/1170434934.db2.gz	PLZIHNLPFSSZKS-YUMQZZPRSA-N	1	0	188.227	0.420	20	5		ACBDRO
C[C@H]1OCC[C@@]1(C)[NH2+]CC[N+](=O)[O-]	1341360507	1170436309	/nfs/dbraw/zinc/43/63/09/1170436309.db2.gz	PLZIHNLPFSSZKS-HTQZYQBOSA-N	1	0	188.227	0.420	20	5		ACBDRO
C[C@H]1OCC[C@]1(C)[NH2+]CC[N+](=O)[O-]	1341360513	1170436378	/nfs/dbraw/zinc/43/63/78/1170436378.db2.gz	PLZIHNLPFSSZKS-SFYZADRCSA-N	1	0	188.227	0.420	20	5		ACBDRO
CCC[C@](C)(O)C[NH2+]CC[N+](=O)[O-]	1346225247	1170478659	/nfs/dbraw/zinc/47/86/59/1170478659.db2.gz	OPHNSTVMRBUDSR-QMMMGPOBSA-N	1	0	190.243	0.404	20	5		ACBDRO
CCC[C@@](C)(O)C[NH2+]CC[N+](=O)[O-]	1346225246	1170478778	/nfs/dbraw/zinc/47/87/78/1170478778.db2.gz	OPHNSTVMRBUDSR-MRVPVSSYSA-N	1	0	190.243	0.404	20	5		ACBDRO
C[C@H](CC(C)(C)O)[NH2+]CC[N+](=O)[O-]	1353316539	1170537238	/nfs/dbraw/zinc/53/72/38/1170537238.db2.gz	ODCUISQQHLCQRV-SSDOTTSWSA-N	1	0	190.243	0.402	20	5		ACBDRO
CC(C)(F)CC[NH2+]CC[N+](=O)[O-]	1353353872	1170537247	/nfs/dbraw/zinc/53/72/47/1170537247.db2.gz	NEUBDDCCWZKRCT-UHFFFAOYSA-N	1	0	178.207	0.991	20	5		ACBDRO
C[C@@H](CC(C)(C)O)[NH2+]CC[N+](=O)[O-]	1353316541	1170537808	/nfs/dbraw/zinc/53/78/08/1170537808.db2.gz	ODCUISQQHLCQRV-ZETCQYMHSA-N	1	0	190.243	0.402	20	5		ACBDRO
C[N@H+](CCCCCO)CC[N+](=O)[O-]	1354725633	1170549965	/nfs/dbraw/zinc/54/99/65/1170549965.db2.gz	KVCZRUGBQVNMCE-UHFFFAOYSA-N	1	0	190.243	0.358	20	5		ACBDRO
C[C@@](O)(C[NH2+]CC[N+](=O)[O-])C1CC1	1356598304	1170558388	/nfs/dbraw/zinc/55/83/88/1170558388.db2.gz	ZNZKAOVSLSORLX-MRVPVSSYSA-N	1	0	188.227	0.014	20	5		ACBDRO
C[C@](O)(C[NH2+]CC[N+](=O)[O-])C1CC1	1356598305	1170558642	/nfs/dbraw/zinc/55/86/42/1170558642.db2.gz	ZNZKAOVSLSORLX-QMMMGPOBSA-N	1	0	188.227	0.014	20	5		ACBDRO
[NH3+][C@H](CCO)c1ccc([N+](=O)[O-])cc1	21304164	571803142	/nfs/dbraw/zinc/80/31/42/571803142.db2.gz	ZEMUAYJJQCVVDF-SECBINFHSA-N	1	0	196.206	0.977	20	5		ACBDRO
C[N@H+](CC[N+](=O)[O-])[C@@H]1CCSC1	307978953	572891104	/nfs/dbraw/zinc/89/11/04/572891104.db2.gz	NKJDAIKJDKKWCI-SSDOTTSWSA-N	1	0	190.268	0.700	20	5		ACBDRO
C[N@H+](CC[N+](=O)[O-])[C@H]1CCSC1	307978954	572891510	/nfs/dbraw/zinc/89/15/10/572891510.db2.gz	NKJDAIKJDKKWCI-ZETCQYMHSA-N	1	0	190.268	0.700	20	5		ACBDRO
C[C@H](Cn1cccn1)[NH2+]CC[N+](=O)[O-]	308665529	573659820	/nfs/dbraw/zinc/65/98/20/573659820.db2.gz	SFXZMSWGWAHURH-MRVPVSSYSA-N	1	0	198.226	0.138	20	5		ACBDRO
C[NH2+]CCCn1nccc1[N+](=O)[O-]	592158502	487299496	/nfs/dbraw/zinc/29/94/96/487299496.db2.gz	JPLUVGCLJKZXIW-UHFFFAOYSA-N	1	0	184.199	0.401	20	5		ACBDRO
O=[N+]([O-])c1cn(C[C@@H]2CC[NH2+]C2)cn1	592158458	487299558	/nfs/dbraw/zinc/29/95/58/487299558.db2.gz	CONSJRDXLLABHD-SSDOTTSWSA-N	1	0	196.210	0.401	20	5		ACBDRO
O=[N+]([O-])c1cn(C[C@H]2CC[NH2+]C2)cn1	592158459	487299630	/nfs/dbraw/zinc/29/96/30/487299630.db2.gz	CONSJRDXLLABHD-ZETCQYMHSA-N	1	0	196.210	0.401	20	5		ACBDRO
O=[N+]([O-])c1ccnn1C[C@@H]1CC[NH2+]C1	592158524	487299635	/nfs/dbraw/zinc/29/96/35/487299635.db2.gz	MHHDRTGSNGVVKD-SSDOTTSWSA-N	1	0	196.210	0.401	20	5		ACBDRO
O=[N+]([O-])c1ccnn1C[C@H]1CC[NH2+]C1	592158525	487299641	/nfs/dbraw/zinc/29/96/41/487299641.db2.gz	MHHDRTGSNGVVKD-ZETCQYMHSA-N	1	0	196.210	0.401	20	5		ACBDRO
C[C@@H]([NH3+])Cn1nccc1[N+](=O)[O-]	592158849	487299677	/nfs/dbraw/zinc/29/96/77/487299677.db2.gz	WYICQKRHWUAHGK-RXMQYKEDSA-N	1	0	170.172	0.139	20	5		ACBDRO
C[NH2+]CCCn1c([N+](=O)[O-])cnc1C	592158448	487299696	/nfs/dbraw/zinc/29/96/96/487299696.db2.gz	CHKMTSGUDWYEAY-UHFFFAOYSA-N	1	0	198.226	0.709	20	5		ACBDRO
Cc1ncc([N+](=O)[O-])n1CC1C[NH2+]C1	592158748	487299707	/nfs/dbraw/zinc/29/97/07/487299707.db2.gz	OAZZAMFMJVHCGY-UHFFFAOYSA-N	1	0	196.210	0.319	20	5		ACBDRO
C[C@H]([NH3+])Cn1cccc([N+](=O)[O-])c1=O	592158794	487299721	/nfs/dbraw/zinc/29/97/21/487299721.db2.gz	TYUHRTZSEIZAJO-LURJTMIESA-N	1	0	197.194	0.104	20	5		ACBDRO
C[C@H]([NH3+])Cn1nccc1[N+](=O)[O-]	592158852	487299759	/nfs/dbraw/zinc/29/97/59/487299759.db2.gz	WYICQKRHWUAHGK-YFKPBYRVSA-N	1	0	170.172	0.139	20	5		ACBDRO
C[C@@H]([NH3+])Cn1cccc([N+](=O)[O-])c1=O	592158795	487299813	/nfs/dbraw/zinc/29/98/13/487299813.db2.gz	TYUHRTZSEIZAJO-ZCFIWIBFSA-N	1	0	197.194	0.104	20	5		ACBDRO
O=[N+]([O-])c1ccnn1CC1C[NH2+]C1	592158433	487299831	/nfs/dbraw/zinc/29/98/31/487299831.db2.gz	AAIHBHOVMJSCHB-UHFFFAOYSA-N	1	0	182.183	0.011	20	5		ACBDRO
CC[NH+](CC)CCNCC[N+](=O)[O-]	899855842	582563865	/nfs/dbraw/zinc/56/38/65/582563865.db2.gz	KVMVSNAOWPPPOP-UHFFFAOYSA-N	1	0	189.259	0.195	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1ccccn1	899856041	582563897	/nfs/dbraw/zinc/56/38/97/582563897.db2.gz	OCNOJFHQXWAKJB-UHFFFAOYSA-N	1	0	195.222	0.490	20	5		ACBDRO
CCOCCC[NH2+]CC[N+](=O)[O-]	899860548	582563954	/nfs/dbraw/zinc/56/39/54/582563954.db2.gz	RAWDXDOGMYXNDS-UHFFFAOYSA-N	1	0	176.216	0.279	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCCn1ccnc1	899855238	582563556	/nfs/dbraw/zinc/56/35/56/582563556.db2.gz	CQPBVSNTSSZVKC-UHFFFAOYSA-N	1	0	198.226	0.140	20	5		ACBDRO
CC(C)OCCC[NH2+]CC[N+](=O)[O-]	899858876	582563578	/nfs/dbraw/zinc/56/35/78/582563578.db2.gz	DMYNTJRVCREOBB-UHFFFAOYSA-N	1	0	190.243	0.668	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1CCCC1	899856484	582564209	/nfs/dbraw/zinc/56/42/09/582564209.db2.gz	UMUULZDKQXQBTO-UHFFFAOYSA-N	1	0	158.201	0.795	20	5		ACBDRO
CC(C)CC[NH2+]CC[N+](=O)[O-]	899856254	582564248	/nfs/dbraw/zinc/56/42/48/582564248.db2.gz	QEPMUNYWBHVXAW-UHFFFAOYSA-N	1	0	160.217	0.899	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CCCOC1	899873225	582564408	/nfs/dbraw/zinc/56/44/08/582564408.db2.gz	KPFOMSAXFLFZHX-MRVPVSSYSA-N	1	0	188.227	0.279	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1CCCOC1	899873226	582564492	/nfs/dbraw/zinc/56/44/92/582564492.db2.gz	KPFOMSAXFLFZHX-QMMMGPOBSA-N	1	0	188.227	0.279	20	5		ACBDRO
CCOCCCC[NH2+]CC[N+](=O)[O-]	899871057	582564518	/nfs/dbraw/zinc/56/45/18/582564518.db2.gz	MWIKDOHKTTVTBS-UHFFFAOYSA-N	1	0	190.243	0.669	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CCCCO1	899875262	582564544	/nfs/dbraw/zinc/56/45/44/582564544.db2.gz	DQRDPEVMYKPSJD-MRVPVSSYSA-N	1	0	188.227	0.422	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1CCC1	899871617	582564580	/nfs/dbraw/zinc/56/45/80/582564580.db2.gz	TVWFECQUURXSOY-UHFFFAOYSA-N	1	0	158.201	0.653	20	5		ACBDRO
COCCCC[NH2+]CC[N+](=O)[O-]	899871904	582564667	/nfs/dbraw/zinc/56/46/67/582564667.db2.gz	VHOFREWDVUVDQW-UHFFFAOYSA-N	1	0	176.216	0.279	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCCn1cccn1	899869446	582564703	/nfs/dbraw/zinc/56/47/03/582564703.db2.gz	GGSCTOQGIIRWJB-UHFFFAOYSA-N	1	0	198.226	0.140	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1CCCO1	899856083	582564825	/nfs/dbraw/zinc/56/48/25/582564825.db2.gz	OXOPFFWVZHXNCB-ZETCQYMHSA-N	1	0	174.200	0.032	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CCCO1	899856082	582564846	/nfs/dbraw/zinc/56/48/46/582564846.db2.gz	OXOPFFWVZHXNCB-SSDOTTSWSA-N	1	0	174.200	0.032	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1CCCCO1	899875263	582564977	/nfs/dbraw/zinc/56/49/77/582564977.db2.gz	DQRDPEVMYKPSJD-QMMMGPOBSA-N	1	0	188.227	0.422	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1ccoc1	899892379	582565633	/nfs/dbraw/zinc/56/56/33/582565633.db2.gz	PUTGTHXVJJLYNC-UHFFFAOYSA-N	1	0	184.195	0.688	20	5		ACBDRO
Cc1ccc(CC[NH2+]CC[N+](=O)[O-])o1	905047849	582641203	/nfs/dbraw/zinc/64/12/03/582641203.db2.gz	HESCJJOORFZGLU-UHFFFAOYSA-N	1	0	198.222	0.997	20	5		ACBDRO
C[C@@H]1C[C@H]1C[NH2+]CC[N+](=O)[O-]	905047501	582641269	/nfs/dbraw/zinc/64/12/69/582641269.db2.gz	GUDCVBVNPASWPY-RQJHMYQMSA-N	1	0	158.201	0.509	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1cccnc1	905042537	582641284	/nfs/dbraw/zinc/64/12/84/582641284.db2.gz	YLMIUGGMFIGNIF-UHFFFAOYSA-N	1	0	195.222	0.490	20	5		ACBDRO
C[C@@H]1C[C@@H]1C[NH2+]CC[N+](=O)[O-]	905047500	582641341	/nfs/dbraw/zinc/64/13/41/582641341.db2.gz	GUDCVBVNPASWPY-RNFRBKRXSA-N	1	0	158.201	0.509	20	5		ACBDRO
C[C@H]1C[C@@H]1C[NH2+]CC[N+](=O)[O-]	905047499	582641385	/nfs/dbraw/zinc/64/13/85/582641385.db2.gz	GUDCVBVNPASWPY-NKWVEPMBSA-N	1	0	158.201	0.509	20	5		ACBDRO
C[C@H]1C[C@H]1C[NH2+]CC[N+](=O)[O-]	905047490	582641560	/nfs/dbraw/zinc/64/15/60/582641560.db2.gz	GUDCVBVNPASWPY-BQBZGAKWSA-N	1	0	158.201	0.509	20	5		ACBDRO
C[C@@H](Cn1ccnc1)[NH2+]CC[N+](=O)[O-]	905048003	582641573	/nfs/dbraw/zinc/64/15/73/582641573.db2.gz	WHRVXYJRBNBJBQ-QMMMGPOBSA-N	1	0	198.226	0.138	20	5		ACBDRO
C[C@H](Cn1ccnc1)[NH2+]CC[N+](=O)[O-]	905048002	582641675	/nfs/dbraw/zinc/64/16/75/582641675.db2.gz	WHRVXYJRBNBJBQ-MRVPVSSYSA-N	1	0	198.226	0.138	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1ccco1	905021789	582641912	/nfs/dbraw/zinc/64/19/12/582641912.db2.gz	AFXWELWZCYIVLA-UHFFFAOYSA-N	1	0	184.195	0.688	20	5		ACBDRO
COC[C@H](C)C[NH2+]CC[N+](=O)[O-]	905060541	582641915	/nfs/dbraw/zinc/64/19/15/582641915.db2.gz	NOYZBHCVDJJHRO-SSDOTTSWSA-N	1	0	176.216	0.135	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1CCC1	905101287	582641924	/nfs/dbraw/zinc/64/19/24/582641924.db2.gz	IUURDKXTTIWUAA-UHFFFAOYSA-N	1	0	144.174	0.405	20	5		ACBDRO
COCC[C@@H](C)[NH2+]CC[N+](=O)[O-]	905082002	582641931	/nfs/dbraw/zinc/64/19/31/582641931.db2.gz	SCRBGARSUOUYPR-SSDOTTSWSA-N	1	0	176.216	0.278	20	5		ACBDRO
COCC[C@H](C)[NH2+]CC[N+](=O)[O-]	905082003	582641934	/nfs/dbraw/zinc/64/19/34/582641934.db2.gz	SCRBGARSUOUYPR-ZETCQYMHSA-N	1	0	176.216	0.278	20	5		ACBDRO
COCCCCC[NH2+]CC[N+](=O)[O-]	905073544	582641936	/nfs/dbraw/zinc/64/19/36/582641936.db2.gz	DGQPLJUEOMPROF-UHFFFAOYSA-N	1	0	190.243	0.669	20	5		ACBDRO
CCCCOCC[NH2+]CC[N+](=O)[O-]	905070769	582642057	/nfs/dbraw/zinc/64/20/57/582642057.db2.gz	MMRBTZBHZLYKOZ-UHFFFAOYSA-N	1	0	190.243	0.669	20	5		ACBDRO
CO[C@@H](C)CC[NH2+]CC[N+](=O)[O-]	905085821	582642210	/nfs/dbraw/zinc/64/22/10/582642210.db2.gz	ZOPOQEGJCDTTLQ-ZETCQYMHSA-N	1	0	176.216	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1CCSCC1	905082029	582642224	/nfs/dbraw/zinc/64/22/24/582642224.db2.gz	SGLQUZXTGANIHI-UHFFFAOYSA-N	1	0	190.268	0.748	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1CCN(C2CC2)C1	905061501	582642259	/nfs/dbraw/zinc/64/22/59/582642259.db2.gz	RCYPRGQASRVXMG-MRVPVSSYSA-N	1	0	199.254	0.089	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCc1ccncc1	905060913	582642281	/nfs/dbraw/zinc/64/22/81/582642281.db2.gz	YOVOPDXOIQFNKG-UHFFFAOYSA-N	1	0	195.222	0.490	20	5		ACBDRO
Cc1nccn1CC[NH2+]CC[N+](=O)[O-]	905083456	582642296	/nfs/dbraw/zinc/64/22/96/582642296.db2.gz	URHDVDIBZRBLSR-UHFFFAOYSA-N	1	0	198.226	0.058	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1CCOCC1	905082599	582642311	/nfs/dbraw/zinc/64/23/11/582642311.db2.gz	RYJOOTSJYRPAPR-UHFFFAOYSA-N	1	0	188.227	0.279	20	5		ACBDRO
COC[C@@H](C)C[NH2+]CC[N+](=O)[O-]	905060542	582642342	/nfs/dbraw/zinc/64/23/42/582642342.db2.gz	NOYZBHCVDJJHRO-ZETCQYMHSA-N	1	0	176.216	0.135	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCOCC1CC1	905100096	582642378	/nfs/dbraw/zinc/64/23/78/582642378.db2.gz	BCLCMXZEJDDRDQ-UHFFFAOYSA-N	1	0	188.227	0.279	20	5		ACBDRO
CO[C@H](C)CC[NH2+]CC[N+](=O)[O-]	905085819	582642425	/nfs/dbraw/zinc/64/24/25/582642425.db2.gz	ZOPOQEGJCDTTLQ-SSDOTTSWSA-N	1	0	176.216	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H]1CCN(C2CC2)C1	905061502	582642455	/nfs/dbraw/zinc/64/24/55/582642455.db2.gz	RCYPRGQASRVXMG-QMMMGPOBSA-N	1	0	199.254	0.089	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1CCSC1	905135982	582642690	/nfs/dbraw/zinc/64/26/90/582642690.db2.gz	OSMASWDIWMUTOE-ZCFIWIBFSA-N	1	0	176.241	0.358	20	5		ACBDRO
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CSCCC[NH2+]CC[N+](=O)[O-]	905128308	582643087	/nfs/dbraw/zinc/64/30/87/582643087.db2.gz	QHCVPHTYMVFMKX-UHFFFAOYSA-N	1	0	178.257	0.606	20	5		ACBDRO
C[C@]1(C[NH2+]CC[N+](=O)[O-])CCCO1	905158725	582643096	/nfs/dbraw/zinc/64/30/96/582643096.db2.gz	ICSKRHTYAGMQSD-MRVPVSSYSA-N	1	0	188.227	0.422	20	5		ACBDRO
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COC(C)(C)C[NH2+]CC[N+](=O)[O-]	905135716	582643180	/nfs/dbraw/zinc/64/31/80/582643180.db2.gz	JQLVPRMVILTXRM-UHFFFAOYSA-N	1	0	176.216	0.278	20	5		ACBDRO
CC[C@H](COC)[NH2+]CC[N+](=O)[O-]	905139367	582643198	/nfs/dbraw/zinc/64/31/98/582643198.db2.gz	XDPOHDBIMWYTKU-SSDOTTSWSA-N	1	0	176.216	0.278	20	5		ACBDRO
C[C@@]1(C[NH2+]CC[N+](=O)[O-])CCCO1	905158726	582643287	/nfs/dbraw/zinc/64/32/87/582643287.db2.gz	ICSKRHTYAGMQSD-QMMMGPOBSA-N	1	0	188.227	0.422	20	5		ACBDRO
C[C@@H](CO)CCC[NH2+]CC[N+](=O)[O-]	905192280	582643410	/nfs/dbraw/zinc/64/34/10/582643410.db2.gz	YHPVAGVTCUWCMH-MRVPVSSYSA-N	1	0	190.243	0.261	20	5		ACBDRO
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CO[C@@H](C[NH2+]CC[N+](=O)[O-])C(C)C	905144117	582643458	/nfs/dbraw/zinc/64/34/58/582643458.db2.gz	GGEXUASVJCTPFJ-QMMMGPOBSA-N	1	0	190.243	0.524	20	5		ACBDRO
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C[C@H](CO)CCC[NH2+]CC[N+](=O)[O-]	905192281	582643748	/nfs/dbraw/zinc/64/37/48/582643748.db2.gz	YHPVAGVTCUWCMH-QMMMGPOBSA-N	1	0	190.243	0.261	20	5		ACBDRO
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CO[C@H](C[NH2+]CC[N+](=O)[O-])C(C)C	905144115	582643801	/nfs/dbraw/zinc/64/38/01/582643801.db2.gz	GGEXUASVJCTPFJ-MRVPVSSYSA-N	1	0	190.243	0.524	20	5		ACBDRO
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C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc[nH]1	905191654	582643895	/nfs/dbraw/zinc/64/38/95/582643895.db2.gz	VEVAJKDQZQVYKJ-SSDOTTSWSA-N	1	0	183.211	0.942	20	5		ACBDRO
CC1CC([NH2+]CC[N+](=O)[O-])C1	905147251	582644149	/nfs/dbraw/zinc/64/41/49/582644149.db2.gz	QZSYGUPEGMGSFI-UHFFFAOYSA-N	1	0	158.201	0.651	20	5		ACBDRO
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Cc1cnccc1C[NH2+]CC[N+](=O)[O-]	905228794	582645273	/nfs/dbraw/zinc/64/52/73/582645273.db2.gz	GVUYEKWODJUOIB-UHFFFAOYSA-N	1	0	195.222	0.756	20	5		ACBDRO
CC(C)OCC[NH2+]CC[N+](=O)[O-]	905208814	582644972	/nfs/dbraw/zinc/64/49/72/582644972.db2.gz	OAQKHONONYVZJJ-UHFFFAOYSA-N	1	0	176.216	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCOCC(F)F	905227733	582644989	/nfs/dbraw/zinc/64/49/89/582644989.db2.gz	FTFKPOLIERPUDN-UHFFFAOYSA-N	1	0	198.169	0.134	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CCSC1	905243663	582645005	/nfs/dbraw/zinc/64/50/05/582645005.db2.gz	QYMQKOGVXKAZQC-SSDOTTSWSA-N	1	0	190.268	0.606	20	5		ACBDRO
CC[C@@H](CSC)[NH2+]CC[N+](=O)[O-]	905204506	582645122	/nfs/dbraw/zinc/64/51/22/582645122.db2.gz	ZZLCWMOESYZKCT-ZETCQYMHSA-N	1	0	192.284	0.994	20	5		ACBDRO
CCOC(C)(C)C[NH2+]CC[N+](=O)[O-]	905228839	582645148	/nfs/dbraw/zinc/64/51/48/582645148.db2.gz	IBKBVOZKXMDQRE-UHFFFAOYSA-N	1	0	190.243	0.668	20	5		ACBDRO
CC(C)(O)CC[NH2+]CC[N+](=O)[O-]	905217315	582645208	/nfs/dbraw/zinc/64/52/08/582645208.db2.gz	JBDZEWCNPUSSPD-UHFFFAOYSA-N	1	0	176.216	0.014	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CCC=CO1	905233437	582645238	/nfs/dbraw/zinc/64/52/38/582645238.db2.gz	VPEOJMUJUCDPJB-MRVPVSSYSA-N	1	0	186.211	0.545	20	5		ACBDRO
CC[C@@H]1C[C@H]1[NH2+]CC[N+](=O)[O-]	905243664	582645278	/nfs/dbraw/zinc/64/52/78/582645278.db2.gz	LLBQARDXVOJYEN-RNFRBKRXSA-N	1	0	158.201	0.651	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1CCSC1	905243665	582645291	/nfs/dbraw/zinc/64/52/91/582645291.db2.gz	QYMQKOGVXKAZQC-ZETCQYMHSA-N	1	0	190.268	0.606	20	5		ACBDRO
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COC1(C[NH2+]CC[N+](=O)[O-])CCC1	905202447	582645384	/nfs/dbraw/zinc/64/53/84/582645384.db2.gz	LZANNAIMXKMUAK-UHFFFAOYSA-N	1	0	188.227	0.422	20	5		ACBDRO
CC[C@H](CSC)[NH2+]CC[N+](=O)[O-]	905204505	582645419	/nfs/dbraw/zinc/64/54/19/582645419.db2.gz	ZZLCWMOESYZKCT-SSDOTTSWSA-N	1	0	192.284	0.994	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H]1CCCOCC1	905204227	582645430	/nfs/dbraw/zinc/64/54/30/582645430.db2.gz	YWMMMTZJFPAAJR-QMMMGPOBSA-N	1	0	188.227	0.422	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1CCC=CO1	905233438	582645447	/nfs/dbraw/zinc/64/54/47/582645447.db2.gz	VPEOJMUJUCDPJB-QMMMGPOBSA-N	1	0	186.211	0.545	20	5		ACBDRO
CC(C)SCC[NH2+]CC[N+](=O)[O-]	905258498	582645703	/nfs/dbraw/zinc/64/57/03/582645703.db2.gz	XBZFKDWZEGNZPR-UHFFFAOYSA-N	1	0	192.284	0.994	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C1CC(F)(F)C1	905234684	582645790	/nfs/dbraw/zinc/64/57/90/582645790.db2.gz	VLTRZYZVTDOYSM-UHFFFAOYSA-N	1	0	180.154	0.650	20	5		ACBDRO
COCC(C)(C)C[NH2+]CC[N+](=O)[O-]	905262158	582645880	/nfs/dbraw/zinc/64/58/80/582645880.db2.gz	JOKRIKYJCGHKOT-UHFFFAOYSA-N	1	0	190.243	0.525	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCC1(O)CCC1	905256278	582645897	/nfs/dbraw/zinc/64/58/97/582645897.db2.gz	PNQDYVOAIHOVRW-UHFFFAOYSA-N	1	0	188.227	0.158	20	5		ACBDRO
CSC1(C[NH2+]CC[N+](=O)[O-])CC1	905238637	582645918	/nfs/dbraw/zinc/64/59/18/582645918.db2.gz	SYMQSBCJIDWDCJ-UHFFFAOYSA-N	1	0	190.268	0.748	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1=CCCOC1	905262961	582645923	/nfs/dbraw/zinc/64/59/23/582645923.db2.gz	RYXMAAHCJVRVEN-UHFFFAOYSA-N	1	0	186.211	0.199	20	5		ACBDRO
CO[C@H](C)[C@@H](C)[NH2+]CC[N+](=O)[O-]	905263298	582645992	/nfs/dbraw/zinc/64/59/92/582645992.db2.gz	MEYCSVHEZJOOAJ-RNFRBKRXSA-N	1	0	176.216	0.276	20	5		ACBDRO
CCSCCC[NH2+]CC[N+](=O)[O-]	905245027	582646024	/nfs/dbraw/zinc/64/60/24/582646024.db2.gz	BLLHXIWTTXZKNH-UHFFFAOYSA-N	1	0	192.284	0.996	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCCOC(F)F	905254526	582646026	/nfs/dbraw/zinc/64/60/26/582646026.db2.gz	MMKYHZBSDHHLTK-UHFFFAOYSA-N	1	0	198.169	0.482	20	5		ACBDRO
CC[C@@H](C[NH2+]CC[N+](=O)[O-])OC	905263679	582646156	/nfs/dbraw/zinc/64/61/56/582646156.db2.gz	ONDXJXYWZIYHEM-ZETCQYMHSA-N	1	0	176.216	0.278	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1CC(F)(F)C1	905262687	582646262	/nfs/dbraw/zinc/64/62/62/582646262.db2.gz	NDGZVTLOZLPDKA-UHFFFAOYSA-N	1	0	194.181	0.898	20	5		ACBDRO
CC[C@H](C[NH2+]CC[N+](=O)[O-])OC	905263678	582646276	/nfs/dbraw/zinc/64/62/76/582646276.db2.gz	ONDXJXYWZIYHEM-SSDOTTSWSA-N	1	0	176.216	0.278	20	5		ACBDRO
CO[C@@H](C)[C@@H](C)[NH2+]CC[N+](=O)[O-]	905263299	582646297	/nfs/dbraw/zinc/64/62/97/582646297.db2.gz	MEYCSVHEZJOOAJ-RQJHMYQMSA-N	1	0	176.216	0.276	20	5		ACBDRO
CC[C@](C)(C[NH2+]CC[N+](=O)[O-])OC	905271096	582646530	/nfs/dbraw/zinc/64/65/30/582646530.db2.gz	BAKDBQCMXPLGOJ-MRVPVSSYSA-N	1	0	190.243	0.668	20	5		ACBDRO
COCC[C@@H](C)C[NH2+]CC[N+](=O)[O-]	905285618	582646558	/nfs/dbraw/zinc/64/65/58/582646558.db2.gz	JECKMXNNISWKRK-MRVPVSSYSA-N	1	0	190.243	0.525	20	5		ACBDRO
C[C@@H]1CC[C@@H](C[NH2+]CC[N+](=O)[O-])O1	905283032	582646585	/nfs/dbraw/zinc/64/65/85/582646585.db2.gz	CDNSSHYAPDWVDI-SFYZADRCSA-N	1	0	188.227	0.420	20	5		ACBDRO
CO[C@@H](C[NH2+]CC[N+](=O)[O-])C1CC1	905269111	582646608	/nfs/dbraw/zinc/64/66/08/582646608.db2.gz	UNXVZSRFSSUASR-QMMMGPOBSA-N	1	0	188.227	0.278	20	5		ACBDRO
C[C@@H]1C[C@H]([NH2+]CC[N+](=O)[O-])CS1	905286459	582646635	/nfs/dbraw/zinc/64/66/35/582646635.db2.gz	MSLNFKGDXHGIKK-RQJHMYQMSA-N	1	0	190.268	0.747	20	5		ACBDRO
C[C@H]1CC[C@H](C[NH2+]CC[N+](=O)[O-])O1	905283031	582646713	/nfs/dbraw/zinc/64/67/13/582646713.db2.gz	CDNSSHYAPDWVDI-JGVFFNPUSA-N	1	0	188.227	0.420	20	5		ACBDRO
CO[C@H](C[NH2+]CC[N+](=O)[O-])C1CC1	905269109	582646779	/nfs/dbraw/zinc/64/67/79/582646779.db2.gz	UNXVZSRFSSUASR-MRVPVSSYSA-N	1	0	188.227	0.278	20	5		ACBDRO
CCC[C@H](C[NH2+]CC[N+](=O)[O-])OC	905276482	582646796	/nfs/dbraw/zinc/64/67/96/582646796.db2.gz	YIYOJSUXEDWMTO-MRVPVSSYSA-N	1	0	190.243	0.668	20	5		ACBDRO
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CCC[C@@H](C[NH2+]CC[N+](=O)[O-])OC	905276483	582647059	/nfs/dbraw/zinc/64/70/59/582647059.db2.gz	YIYOJSUXEDWMTO-QMMMGPOBSA-N	1	0	190.243	0.668	20	5		ACBDRO
CC(F)(F)CC[NH2+]CC[N+](=O)[O-]	905271680	582647168	/nfs/dbraw/zinc/64/71/68/582647168.db2.gz	DHHOSURPHQTYHD-UHFFFAOYSA-N	1	0	182.170	0.898	20	5		ACBDRO
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CC[C@@H]1C[C@H]1C[NH2+]CC[N+](=O)[O-]	905273338	582647306	/nfs/dbraw/zinc/64/73/06/582647306.db2.gz	NBVQVAGWHJKKBH-SFYZADRCSA-N	1	0	172.228	0.899	20	5		ACBDRO
COCC[C@H](C)C[NH2+]CC[N+](=O)[O-]	905285619	582647318	/nfs/dbraw/zinc/64/73/18/582647318.db2.gz	JECKMXNNISWKRK-QMMMGPOBSA-N	1	0	190.243	0.525	20	5		ACBDRO
CC[C@H](CCO)[NH2+]CC[N+](=O)[O-]	905357640	582647491	/nfs/dbraw/zinc/64/74/91/582647491.db2.gz	NRGZNSYEUIATST-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
C[C@H](CCO)CC[NH2+]CC[N+](=O)[O-]	905363585	582647498	/nfs/dbraw/zinc/64/74/98/582647498.db2.gz	YWDWLTYNMOREEZ-QMMMGPOBSA-N	1	0	190.243	0.261	20	5		ACBDRO
CC(C)[C@H](CO)C[NH2+]CC[N+](=O)[O-]	905352148	582647525	/nfs/dbraw/zinc/64/75/25/582647525.db2.gz	DAWSIUQCWWARTO-QMMMGPOBSA-N	1	0	190.243	0.117	20	5		ACBDRO
C[C@H](CCCO)[NH2+]CC[N+](=O)[O-]	905356180	582647543	/nfs/dbraw/zinc/64/75/43/582647543.db2.gz	DOIBRVKKIJHUIW-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
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CC[C@@H](CCO)C[NH2+]CC[N+](=O)[O-]	905357643	582647660	/nfs/dbraw/zinc/64/76/60/582647660.db2.gz	NSPDDRPAZKTWJQ-QMMMGPOBSA-N	1	0	190.243	0.261	20	5		ACBDRO
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CC[C@@H](CCO)[NH2+]CC[N+](=O)[O-]	905357641	582647681	/nfs/dbraw/zinc/64/76/81/582647681.db2.gz	NRGZNSYEUIATST-ZETCQYMHSA-N	1	0	176.216	0.014	20	5		ACBDRO
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CC[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)O	905356601	582647727	/nfs/dbraw/zinc/64/77/27/582647727.db2.gz	GWUCHWNOVTZZON-RQJHMYQMSA-N	1	0	176.216	0.012	20	5		ACBDRO
C/C=C\C[C@H](CO)[NH2+]CC[N+](=O)[O-]	905356828	582647736	/nfs/dbraw/zinc/64/77/36/582647736.db2.gz	HSQTVBYXOVUQMA-YAJNLLPGSA-N	1	0	188.227	0.180	20	5		ACBDRO
CC(C)C[C@@H](O)C[NH2+]CC[N+](=O)[O-]	905340626	582647747	/nfs/dbraw/zinc/64/77/47/582647747.db2.gz	IBDCQDJBYKCCLQ-MRVPVSSYSA-N	1	0	190.243	0.260	20	5		ACBDRO
CC[C@@H](C)[C@@H](O)C[NH2+]CC[N+](=O)[O-]	905351109	582647759	/nfs/dbraw/zinc/64/77/59/582647759.db2.gz	RXZOKARMEFEMFZ-SFYZADRCSA-N	1	0	190.243	0.260	20	5		ACBDRO
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CC[C@H](O)CCC[NH2+]CC[N+](=O)[O-]	905358927	582647816	/nfs/dbraw/zinc/64/78/16/582647816.db2.gz	GPPIBQKMABQQKJ-QMMMGPOBSA-N	1	0	190.243	0.404	20	5		ACBDRO
C[C@H](O)C[C@H](C)[NH2+]CC[N+](=O)[O-]	905352792	582647845	/nfs/dbraw/zinc/64/78/45/582647845.db2.gz	BLEAJNFMHWJYPO-BQBZGAKWSA-N	1	0	176.216	0.012	20	5		ACBDRO
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C[C@@H](O)C[C@@H](C)C[NH2+]CC[N+](=O)[O-]	905362617	582647863	/nfs/dbraw/zinc/64/78/63/582647863.db2.gz	VTBGRGJIHYAXAP-HTQZYQBOSA-N	1	0	190.243	0.260	20	5		ACBDRO
C/C=C\C[C@@H](CO)[NH2+]CC[N+](=O)[O-]	905356825	582647887	/nfs/dbraw/zinc/64/78/87/582647887.db2.gz	HSQTVBYXOVUQMA-KZUAUGPASA-N	1	0	188.227	0.180	20	5		ACBDRO
C[C@@H](O)CCC[NH2+]CC[N+](=O)[O-]	905356204	582647898	/nfs/dbraw/zinc/64/78/98/582647898.db2.gz	FCARYIWCKLPYNU-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC[C@H](C)[C@H](O)C[NH2+]CC[N+](=O)[O-]	905351108	582647909	/nfs/dbraw/zinc/64/79/09/582647909.db2.gz	RXZOKARMEFEMFZ-JGVFFNPUSA-N	1	0	190.243	0.260	20	5		ACBDRO
CCC[C@@H](O)C[NH2+]CC[N+](=O)[O-]	905349249	582647972	/nfs/dbraw/zinc/64/79/72/582647972.db2.gz	HMIBFHCSDZKDAV-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC(C)[C@@H](CO)C[NH2+]CC[N+](=O)[O-]	905352147	582647996	/nfs/dbraw/zinc/64/79/96/582647996.db2.gz	DAWSIUQCWWARTO-MRVPVSSYSA-N	1	0	190.243	0.117	20	5		ACBDRO
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CC[C@H](CCO)C[NH2+]CC[N+](=O)[O-]	905357642	582648008	/nfs/dbraw/zinc/64/80/08/582648008.db2.gz	NSPDDRPAZKTWJQ-MRVPVSSYSA-N	1	0	190.243	0.261	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H](O)C1CCC1	905371352	582648017	/nfs/dbraw/zinc/64/80/17/582648017.db2.gz	JMWKCMIPUNIHIE-QMMMGPOBSA-N	1	0	188.227	0.014	20	5		ACBDRO
C[C@@H](CCCO)C[NH2+]CC[N+](=O)[O-]	905369907	582648023	/nfs/dbraw/zinc/64/80/23/582648023.db2.gz	ANIDOMWXWRMYMK-QMMMGPOBSA-N	1	0	190.243	0.261	20	5		ACBDRO
C[C@@H](CCO)CC[NH2+]CC[N+](=O)[O-]	905363584	582648025	/nfs/dbraw/zinc/64/80/25/582648025.db2.gz	YWDWLTYNMOREEZ-MRVPVSSYSA-N	1	0	190.243	0.261	20	5		ACBDRO
CC(C)(CO)CC[NH2+]CC[N+](=O)[O-]	905366501	582648027	/nfs/dbraw/zinc/64/80/27/582648027.db2.gz	OMACGLLKOIPVOM-UHFFFAOYSA-N	1	0	190.243	0.261	20	5		ACBDRO
CC[C@H]([NH2+]CC[N+](=O)[O-])[C@H](C)O	905356592	582648033	/nfs/dbraw/zinc/64/80/33/582648033.db2.gz	GWUCHWNOVTZZON-BQBZGAKWSA-N	1	0	176.216	0.012	20	5		ACBDRO
CC(C)C[C@H](O)C[NH2+]CC[N+](=O)[O-]	905340627	582648042	/nfs/dbraw/zinc/64/80/42/582648042.db2.gz	IBDCQDJBYKCCLQ-QMMMGPOBSA-N	1	0	190.243	0.260	20	5		ACBDRO
CCC[C@H](O)C[NH2+]CC[N+](=O)[O-]	905349250	582648049	/nfs/dbraw/zinc/64/80/49/582648049.db2.gz	HMIBFHCSDZKDAV-ZETCQYMHSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC1CC(C[NH2+]CC[N+](=O)[O-])C1	905385873	582648051	/nfs/dbraw/zinc/64/80/51/582648051.db2.gz	NAYOKWMLONXERM-UHFFFAOYSA-N	1	0	172.228	0.899	20	5		ACBDRO
C[C@@H](O)C[C@@H](C)[NH2+]CC[N+](=O)[O-]	905352794	582648055	/nfs/dbraw/zinc/64/80/55/582648055.db2.gz	BLEAJNFMHWJYPO-RNFRBKRXSA-N	1	0	176.216	0.012	20	5		ACBDRO
CC[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)O	905356598	582648059	/nfs/dbraw/zinc/64/80/59/582648059.db2.gz	GWUCHWNOVTZZON-RNFRBKRXSA-N	1	0	176.216	0.012	20	5		ACBDRO
CC[C@H](C)[C@@H](O)C[NH2+]CC[N+](=O)[O-]	905351110	582648069	/nfs/dbraw/zinc/64/80/69/582648069.db2.gz	RXZOKARMEFEMFZ-YUMQZZPRSA-N	1	0	190.243	0.260	20	5		ACBDRO
C/C=C/C[C@H](CO)[NH2+]CC[N+](=O)[O-]	905356827	582648071	/nfs/dbraw/zinc/64/80/71/582648071.db2.gz	HSQTVBYXOVUQMA-UFUPEUMYSA-N	1	0	188.227	0.180	20	5		ACBDRO
CC[C@@H](O)CCC[NH2+]CC[N+](=O)[O-]	905358925	582648078	/nfs/dbraw/zinc/64/80/78/582648078.db2.gz	GPPIBQKMABQQKJ-MRVPVSSYSA-N	1	0	190.243	0.404	20	5		ACBDRO
C/C=C/C[C@@H](CO)[NH2+]CC[N+](=O)[O-]	905356826	582648088	/nfs/dbraw/zinc/64/80/88/582648088.db2.gz	HSQTVBYXOVUQMA-SGJFDWMWSA-N	1	0	188.227	0.180	20	5		ACBDRO
CC[C@H](O)CC[NH2+]CC[N+](=O)[O-]	905350763	582648094	/nfs/dbraw/zinc/64/80/94/582648094.db2.gz	QCALJXPTSBASKN-ZETCQYMHSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC[C@@H](O)CC[NH2+]CC[N+](=O)[O-]	905350762	582648099	/nfs/dbraw/zinc/64/80/99/582648099.db2.gz	QCALJXPTSBASKN-SSDOTTSWSA-N	1	0	176.216	0.014	20	5		ACBDRO
CC(C)C[C@H](CO)[NH2+]CC[N+](=O)[O-]	905345989	582648111	/nfs/dbraw/zinc/64/81/11/582648111.db2.gz	PGXLXWDRISJXMZ-MRVPVSSYSA-N	1	0	190.243	0.260	20	5		ACBDRO
C[C@@H](C[C@@H](C)O)[NH2+]CC[N+](=O)[O-]	905352793	582648121	/nfs/dbraw/zinc/64/81/21/582648121.db2.gz	BLEAJNFMHWJYPO-NKWVEPMBSA-N	1	0	176.216	0.012	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1CC[C@H](O)C1	905362553	582648134	/nfs/dbraw/zinc/64/81/34/582648134.db2.gz	VHMCHFYNVOMKMX-YUMQZZPRSA-N	1	0	188.227	0.014	20	5		ACBDRO
C[C@H](CCCO)C[NH2+]CC[N+](=O)[O-]	905369906	582648139	/nfs/dbraw/zinc/64/81/39/582648139.db2.gz	ANIDOMWXWRMYMK-MRVPVSSYSA-N	1	0	190.243	0.261	20	5		ACBDRO
CC(C)(CCO)C[NH2+]CC[N+](=O)[O-]	905358591	582648164	/nfs/dbraw/zinc/64/81/64/582648164.db2.gz	QKIAHEUNUIRPPQ-UHFFFAOYSA-N	1	0	190.243	0.261	20	5		ACBDRO
C[C@@H](CCCO)[NH2+]CC[N+](=O)[O-]	905356181	582648190	/nfs/dbraw/zinc/64/81/90/582648190.db2.gz	DOIBRVKKIJHUIW-ZETCQYMHSA-N	1	0	176.216	0.014	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCCCCCO	905345207	582648202	/nfs/dbraw/zinc/64/82/02/582648202.db2.gz	MHAVJKAEAHFDBS-UHFFFAOYSA-N	1	0	190.243	0.405	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CCC1CC(O)C1	905366239	582648229	/nfs/dbraw/zinc/64/82/29/582648229.db2.gz	MJWOPKFKVWTNFM-UHFFFAOYSA-N	1	0	188.227	0.014	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1CCCC[C@H]1O	905347222	582648251	/nfs/dbraw/zinc/64/82/51/582648251.db2.gz	WWWDCCOSTKZPFA-HTQZYQBOSA-N	1	0	188.227	0.156	20	5		ACBDRO
CC(C)C[C@@H](CO)[NH2+]CC[N+](=O)[O-]	905345990	582648299	/nfs/dbraw/zinc/64/82/99/582648299.db2.gz	PGXLXWDRISJXMZ-QMMMGPOBSA-N	1	0	190.243	0.260	20	5		ACBDRO
C[C@H](C[NH2+]CC[N+](=O)[O-])C[C@@H](C)O	905362619	582648331	/nfs/dbraw/zinc/64/83/31/582648331.db2.gz	VTBGRGJIHYAXAP-JGVFFNPUSA-N	1	0	190.243	0.260	20	5		ACBDRO
C[C@H](O)C[C@@H](C)[NH2+]CC[N+](=O)[O-]	905352795	582648347	/nfs/dbraw/zinc/64/83/47/582648347.db2.gz	BLEAJNFMHWJYPO-RQJHMYQMSA-N	1	0	176.216	0.012	20	5		ACBDRO
C=C/C=C/CC[NH2+]CC[N+](=O)[O-]	905425092	582648788	/nfs/dbraw/zinc/64/87/88/582648788.db2.gz	MZQKRQDHJVYGEZ-ONEGZZNKSA-N	1	0	170.212	0.985	20	5		ACBDRO
CCC[C@@H](CCO)[NH2+]CC[N+](=O)[O-]	905399313	582648794	/nfs/dbraw/zinc/64/87/94/582648794.db2.gz	KLEXBPWSXAVEFJ-QMMMGPOBSA-N	1	0	190.243	0.404	20	5		ACBDRO
C=C/C=C\CC[NH2+]CC[N+](=O)[O-]	905425091	582648810	/nfs/dbraw/zinc/64/88/10/582648810.db2.gz	MZQKRQDHJVYGEZ-ARJAWSKDSA-N	1	0	170.212	0.985	20	5		ACBDRO
C[C@H](CCCCO)[NH2+]CC[N+](=O)[O-]	905373821	582648863	/nfs/dbraw/zinc/64/88/63/582648863.db2.gz	NQXAVPVHDDVRCM-MRVPVSSYSA-N	1	0	190.243	0.404	20	5		ACBDRO
COC(C)(C)CC[NH2+]CC[N+](=O)[O-]	905403878	582648890	/nfs/dbraw/zinc/64/88/90/582648890.db2.gz	GCRZFJPXMBBADJ-UHFFFAOYSA-N	1	0	190.243	0.668	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@H]1CC12CCC2	905415830	582648899	/nfs/dbraw/zinc/64/88/99/582648899.db2.gz	QZFLNUUKIFCCIF-ZETCQYMHSA-N	1	0	170.212	0.795	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@H]1C=CCC1	905409101	582648908	/nfs/dbraw/zinc/64/89/08/582648908.db2.gz	FWDMVHZJUVQDPK-QMMMGPOBSA-N	1	0	170.212	0.819	20	5		ACBDRO
C[C@@H](CCCCO)[NH2+]CC[N+](=O)[O-]	905373823	582648936	/nfs/dbraw/zinc/64/89/36/582648936.db2.gz	NQXAVPVHDDVRCM-QMMMGPOBSA-N	1	0	190.243	0.404	20	5		ACBDRO
O=[N+]([O-])CC[NH2+][C@@H]1CC12CCC2	905415829	582648945	/nfs/dbraw/zinc/64/89/45/582648945.db2.gz	QZFLNUUKIFCCIF-SSDOTTSWSA-N	1	0	170.212	0.795	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC1CC=CC1	905392399	582648996	/nfs/dbraw/zinc/64/89/96/582648996.db2.gz	ZLYRXSGHEMJMPK-UHFFFAOYSA-N	1	0	170.212	0.819	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]C[C@@H]1C=CCC1	905409100	582649043	/nfs/dbraw/zinc/64/90/43/582649043.db2.gz	FWDMVHZJUVQDPK-MRVPVSSYSA-N	1	0	170.212	0.819	20	5		ACBDRO
CCC[C@H](CCO)[NH2+]CC[N+](=O)[O-]	905399312	582649048	/nfs/dbraw/zinc/64/90/48/582649048.db2.gz	KLEXBPWSXAVEFJ-MRVPVSSYSA-N	1	0	190.243	0.404	20	5		ACBDRO
CO[C@H]1C[C@H]([NH2+]CC[N+](=O)[O-])C1	905398789	582649313	/nfs/dbraw/zinc/64/93/13/582649313.db2.gz	KBDPBCURDKQQHB-LJGSYFOKSA-N	1	0	174.200	0.030	20	5		ACBDRO
CCC[C@H](O)CC[NH2+]CC[N+](=O)[O-]	905590950	582650041	/nfs/dbraw/zinc/65/00/41/582650041.db2.gz	UUPSLKAFMZHIFV-QMMMGPOBSA-N	1	0	190.243	0.404	20	5		ACBDRO
CCC[C@@H](O)CC[NH2+]CC[N+](=O)[O-]	905590948	582650262	/nfs/dbraw/zinc/65/02/62/582650262.db2.gz	UUPSLKAFMZHIFV-MRVPVSSYSA-N	1	0	190.243	0.404	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC[C@@H](O)C1CC1	905693183	582651908	/nfs/dbraw/zinc/65/19/08/582651908.db2.gz	ZZPOABJYWAFASF-MRVPVSSYSA-N	1	0	188.227	0.014	20	5		ACBDRO
O=[N+]([O-])CC[NH2+]CC[C@H](O)C1CC1	905693184	582651665	/nfs/dbraw/zinc/65/16/65/582651665.db2.gz	ZZPOABJYWAFASF-QMMMGPOBSA-N	1	0	188.227	0.014	20	5		ACBDRO
[NH3+][C@@H](CCO)c1ccc([N+](=O)[O-])cc1	21304159	583386251	/nfs/dbraw/zinc/38/62/51/583386251.db2.gz	ZEMUAYJJQCVVDF-VIFPVBQESA-N	1	0	196.206	0.977	20	5		ACBDRO
C[C@@H]1SCC[C@H]1[NH2+]CC[N+](=O)[O-]	1335469880	1188837126	/nfs/dbraw/zinc/83/71/26/1188837126.db2.gz	PVCAUJBDQOHQLN-NKWVEPMBSA-N	1	0	190.268	0.747	20	5		ACBDRO
C[C@H]1SCC[C@H]1[NH2+]CC[N+](=O)[O-]	1335469881	1188837298	/nfs/dbraw/zinc/83/72/98/1188837298.db2.gz	PVCAUJBDQOHQLN-RNFRBKRXSA-N	1	0	190.268	0.747	20	5		ACBDRO
C[C@@H]1SCC[C@@H]1[NH2+]CC[N+](=O)[O-]	1335469879	1188837707	/nfs/dbraw/zinc/83/77/07/1188837707.db2.gz	PVCAUJBDQOHQLN-BQBZGAKWSA-N	1	0	190.268	0.747	20	5		ACBDRO
C[C@H]1SCC[C@@H]1[NH2+]CC[N+](=O)[O-]	1335469882	1188837724	/nfs/dbraw/zinc/83/77/24/1188837724.db2.gz	PVCAUJBDQOHQLN-RQJHMYQMSA-N	1	0	190.268	0.747	20	5		ACBDRO
CO[C@H](C)[C@H](C)[NH2+]CC[N+](=O)[O-]	1336813514	1188838982	/nfs/dbraw/zinc/83/89/82/1188838982.db2.gz	MEYCSVHEZJOOAJ-NKWVEPMBSA-N	1	0	176.216	0.276	20	5		ACBDRO
CO[C@@H](C)[C@H](C)[NH2+]CC[N+](=O)[O-]	1336813513	1188839051	/nfs/dbraw/zinc/83/90/51/1188839051.db2.gz	MEYCSVHEZJOOAJ-BQBZGAKWSA-N	1	0	176.216	0.276	20	5		ACBDRO
CC[C@@H]1CC[N@H+](CC[N+](=O)[O-])C1	929821774	698180740	/nfs/dbraw/zinc/18/07/40/698180740.db2.gz	MKEXWGJFOJEVMX-MRVPVSSYSA-N	1	0	172.228	0.995	20	5		ACBDRO
CC[C@H]1CC[N@H+](CC[N+](=O)[O-])C1	929821776	698180759	/nfs/dbraw/zinc/18/07/59/698180759.db2.gz	MKEXWGJFOJEVMX-QMMMGPOBSA-N	1	0	172.228	0.995	20	5		ACBDRO
CC(C)[NH2+]CCn1cc([N+](=O)[O-])cn1	42409761	166541222	/nfs/dbraw/zinc/54/12/22/166541222.db2.gz	ZEXSEDRZOBLMKA-UHFFFAOYSA-N	1	0	198.226	0.789	20	5		ACBDRO
COc1cc(C(N)=[NH2+])ccc1[N+](=O)[O-]	95093254	168227611	/nfs/dbraw/zinc/22/76/11/168227611.db2.gz	DFVWAEYKVLCDCG-UHFFFAOYSA-N	1	0	195.178	0.887	20	5		ACBDRO
NC(=[NH2+])NCc1ccccc1[N+](=O)[O-]	52035982	169137998	/nfs/dbraw/zinc/13/79/98/169137998.db2.gz	GXEMLCGYXFYYEF-UHFFFAOYSA-N	1	0	194.194	0.578	20	5		ACBDRO
NC(=[NH2+])c1cc([N+](=O)[O-])ccn1	71186685	169140184	/nfs/dbraw/zinc/14/01/84/169140184.db2.gz	PWDDJAWDTJPKHV-UHFFFAOYSA-N	1	0	166.140	0.274	20	5		ACBDRO
NC(=[NH2+])c1cccc([N+](=O)[O-])n1	71186687	169141512	/nfs/dbraw/zinc/14/15/12/169141512.db2.gz	FAVMPSRSUIXFSX-UHFFFAOYSA-N	1	0	166.140	0.274	20	5		ACBDRO
[NH3+]CCCn1cc([N+](=O)[O-])ccc1=O	33513368	169186522	/nfs/dbraw/zinc/18/65/22/169186522.db2.gz	KXFNDIOQIVQGQV-UHFFFAOYSA-N	1	0	197.194	0.105	20	5		ACBDRO
[NH3+]CCNc1ncccc1[N+](=O)[O-]	4336305	169189877	/nfs/dbraw/zinc/18/98/77/169189877.db2.gz	VEEUCCPATNOHPT-UHFFFAOYSA-N	1	0	182.183	0.360	20	5		ACBDRO
[NH3+]CCc1ccc([N+](=O)[O-])cn1	35569383	169197673	/nfs/dbraw/zinc/19/76/73/169197673.db2.gz	TWNASODNSLSALA-UHFFFAOYSA-N	1	0	167.168	0.491	20	5		ACBDRO
[NH3+]Cc1cc(O)cc([N+](=O)[O-])c1	83339896	169221139	/nfs/dbraw/zinc/22/11/39/169221139.db2.gz	HTJMQCMOFMVEOZ-UHFFFAOYSA-N	1	0	168.152	0.759	20	5		ACBDRO
Nc1nc(C[NH3+])ccc1[N+](=O)[O-]	21985815	169223101	/nfs/dbraw/zinc/22/31/01/169223101.db2.gz	CRFMGVLFJMBIJW-UHFFFAOYSA-N	1	0	168.156	0.031	20	5		ACBDRO
[NH3+]Cc1ccc([N+](=O)[O-])cn1	21985570	169223522	/nfs/dbraw/zinc/22/35/22/169223522.db2.gz	YHXMPLXAZQRIAA-UHFFFAOYSA-N	1	0	153.141	0.449	20	5		ACBDRO
[NH3+]Cc1ccncc1[N+](=O)[O-]	95756530	169225171	/nfs/dbraw/zinc/22/51/71/169225171.db2.gz	WPOWHFXXQDTQGX-UHFFFAOYSA-N	1	0	153.141	0.449	20	5		ACBDRO
[NH3+]CC(=O)Nc1cccc([N+](=O)[O-])c1	42205383	171085897	/nfs/dbraw/zinc/08/58/97/171085897.db2.gz	YTEOCOGGDKQLCR-UHFFFAOYSA-N	1	0	195.178	0.492	20	5		ACBDRO
C[NH2+]CCCn1cnc([N+](=O)[O-])c1	42410195	343241770	/nfs/dbraw/zinc/24/17/70/343241770.db2.gz	UZSBFXBUTHFDDL-UHFFFAOYSA-N	1	0	184.199	0.401	20	5		ACBDRO
C[NH2+]CCCn1cc([N+](=O)[O-])cn1	42409760	343241791	/nfs/dbraw/zinc/24/17/91/343241791.db2.gz	GTJCGPZNUKEVCX-UHFFFAOYSA-N	1	0	184.199	0.401	20	5		ACBDRO
Cc1cc(=O)n(CC[NH3+])cc1[N+](=O)[O-]	57832202	343338095	/nfs/dbraw/zinc/33/80/95/343338095.db2.gz	XEFRSQOWNHZBEW-UHFFFAOYSA-N	1	0	197.194	0.024	20	5		ACBDRO
Cc1nc(C(N)=[NH2+])ccc1[N+](=O)[O-]	71186694	343551270	/nfs/dbraw/zinc/55/12/70/343551270.db2.gz	IURIEMCQEMNBGT-UHFFFAOYSA-N	1	0	180.167	0.582	20	5		ACBDRO
Cc1cc(C(N)=[NH2+])ncc1[N+](=O)[O-]	71186693	343551443	/nfs/dbraw/zinc/55/14/43/343551443.db2.gz	IHNRJEWDKLBZAA-UHFFFAOYSA-N	1	0	180.167	0.582	20	5		ACBDRO
Cc1cc(C[NH3+])ncc1[N+](=O)[O-]	82852577	343613899	/nfs/dbraw/zinc/61/38/99/343613899.db2.gz	HKXIGEJPAFVYSK-UHFFFAOYSA-N	1	0	167.168	0.757	20	5		ACBDRO
Cc1cnc(OCC[NH3+])c([N+](=O)[O-])c1	85427077	343643985	/nfs/dbraw/zinc/64/39/85/343643985.db2.gz	PLKTVDWZQWCJKQ-UHFFFAOYSA-N	1	0	197.194	0.636	20	5		ACBDRO
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)[NH3+]	107172088	343746166	/nfs/dbraw/zinc/74/61/66/343746166.db2.gz	WAYLYRZVXFMOCR-RXMQYKEDSA-N	1	0	184.199	0.447	20	5		ACBDRO
Cc1ncc([N+](=O)[O-])n1C[C@H](C)[NH3+]	107172089	343746247	/nfs/dbraw/zinc/74/62/47/343746247.db2.gz	WAYLYRZVXFMOCR-YFKPBYRVSA-N	1	0	184.199	0.447	20	5		ACBDRO
C[C@H]([NH3+])Cn1cc([N+](=O)[O-])ccc1=O	107187382	343747368	/nfs/dbraw/zinc/74/73/68/343747368.db2.gz	ZCGMUUGPAHZCDW-LURJTMIESA-N	1	0	197.194	0.104	20	5		ACBDRO
C[C@@H]([NH3+])Cn1cc([N+](=O)[O-])ccc1=O	107187384	343747420	/nfs/dbraw/zinc/74/74/20/343747420.db2.gz	ZCGMUUGPAHZCDW-ZCFIWIBFSA-N	1	0	197.194	0.104	20	5		ACBDRO
Cc1ccc([C@H](O)C[NH3+])cc1[N+](=O)[O-]	133843289	343928133	/nfs/dbraw/zinc/92/81/33/343928133.db2.gz	UJRQWRQWXJGBHV-SECBINFHSA-N	1	0	196.206	0.895	20	5		ACBDRO
Cc1ccc([C@@H](O)C[NH3+])cc1[N+](=O)[O-]	133843517	343928306	/nfs/dbraw/zinc/92/83/06/343928306.db2.gz	UJRQWRQWXJGBHV-VIFPVBQESA-N	1	0	196.206	0.895	20	5		ACBDRO
O=[N+]([O-])CC[NH+]1CCCCC1	166586127	344284761	/nfs/dbraw/zinc/28/47/61/344284761.db2.gz	MRVVARZYSLLFKK-UHFFFAOYSA-N	1	0	158.201	0.749	20	5		ACBDRO
O=[N+]([O-])c1cnn(CC2C[NH2+]C2)c1	306295293	345176685	/nfs/dbraw/zinc/17/66/85/345176685.db2.gz	ZDXDEVRYVPCJQA-UHFFFAOYSA-N	1	0	182.183	0.011	20	5		ACBDRO
C[NH+](C)CCn1cnc([N+](=O)[O-])c1	308302310	346284918	/nfs/dbraw/zinc/28/49/18/346284918.db2.gz	LPSSUJLUDJGSST-UHFFFAOYSA-N	1	0	184.199	0.353	20	5		ACBDRO
O=[N+]([O-])c1ccnn1[C@@H]1CCC[NH2+]C1	584880445	346747714	/nfs/dbraw/zinc/74/77/14/346747714.db2.gz	CBTXZGQGHMSBCH-SSDOTTSWSA-N	1	0	196.210	0.716	20	5		ACBDRO
O=[N+]([O-])c1ccnn1[C@H]1CCC[NH2+]C1	584880446	346747856	/nfs/dbraw/zinc/74/78/56/346747856.db2.gz	CBTXZGQGHMSBCH-ZETCQYMHSA-N	1	0	196.210	0.716	20	5		ACBDRO
O=[N+]([O-])c1ccnn1C1CC[NH2+]CC1	584881619	346748994	/nfs/dbraw/zinc/74/89/94/346748994.db2.gz	XODZYLXXOALDBY-UHFFFAOYSA-N	1	0	196.210	0.716	20	5		ACBDRO
Cc1nn(CC2C[NH2+]C2)cc1[N+](=O)[O-]	592165238	346828183	/nfs/dbraw/zinc/82/81/83/346828183.db2.gz	CPIRBQSRTITEGL-UHFFFAOYSA-N	1	0	196.210	0.319	20	5		ACBDRO
C[NH2+]CCCn1cc([N+](=O)[O-])c(C)n1	592167600	346828435	/nfs/dbraw/zinc/82/84/35/346828435.db2.gz	NEADKGAOGLSTON-UHFFFAOYSA-N	1	0	198.226	0.709	20	5		ACBDRO
[NH3+]CCn1cc([N+](=O)[O-])c(C2CC2)n1	592170383	346828509	/nfs/dbraw/zinc/82/85/09/346828509.db2.gz	IIYZJBBMCLXINI-UHFFFAOYSA-N	1	0	196.210	0.627	20	5		ACBDRO
O=[N+]([O-])c1ccccc1C[NH2+]CCO	20305887	351404118	/nfs/dbraw/zinc/40/41/18/351404118.db2.gz	XMIKCSARHLFGHM-UHFFFAOYSA-N	1	0	196.206	0.677	20	5		ACBDRO
O=[N+]([O-])c1cnn(C[C@H]2CC[NH2+]C2)c1	51890489	351560989	/nfs/dbraw/zinc/56/09/89/351560989.db2.gz	VHZPVBUPKXDNSP-ZETCQYMHSA-N	1	0	196.210	0.401	20	5		ACBDRO
O=[N+]([O-])c1cnn(C[C@@H]2CC[NH2+]C2)c1	51890487	351561305	/nfs/dbraw/zinc/56/13/05/351561305.db2.gz	VHZPVBUPKXDNSP-SSDOTTSWSA-N	1	0	196.210	0.401	20	5		ACBDRO
C[NH+](C)CCn1ccc([N+](=O)[O-])n1	498050909	352162631	/nfs/dbraw/zinc/16/26/31/352162631.db2.gz	ZHBFIVPMARWLTP-UHFFFAOYSA-N	1	0	184.199	0.353	20	5		ACBDRO
O=[N+]([O-])c1c[nH]c(C2=CC[NH2+]CC2)n1	521400089	375541537	/nfs/dbraw/zinc/54/15/37/375541537.db2.gz	AJAWIUYHKIRLLT-UHFFFAOYSA-N	1	0	194.194	0.695	20	5		ACBDRO
CC(C)[C@H](C)[NH2+][C@@H](C)C(=O)NO	393336237	629655198	/nfs/dbraw/zinc/65/51/98/629655198.db2.gz	GMEGPWONYFSNAF-BQBZGAKWSA-N	1	0	174.244	0.514	20	5		ACBDRO
CC(C)[C@@H](C)[NH2+][C@@H](C)C(=O)NO	393336240	629655223	/nfs/dbraw/zinc/65/52/23/629655223.db2.gz	GMEGPWONYFSNAF-RQJHMYQMSA-N	1	0	174.244	0.514	20	5		ACBDRO
CC(C)[C@@H](C)[NH2+][C@H](C)C(=O)NO	393336239	629655536	/nfs/dbraw/zinc/65/55/36/629655536.db2.gz	GMEGPWONYFSNAF-RNFRBKRXSA-N	1	0	174.244	0.514	20	5		ACBDRO
CC(C)[C@H](C)[NH2+][C@H](C)C(=O)NO	393336238	629655740	/nfs/dbraw/zinc/65/57/40/629655740.db2.gz	GMEGPWONYFSNAF-NKWVEPMBSA-N	1	0	174.244	0.514	20	5		ACBDRO
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