smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1cc2c3c(c1)c1cc4c(cc1c[n+]3CCC2)OCO4	ZINC000001561150	285461442	/nfs/dbraw/zinc/46/14/42/285461442.db2.gz	QXHDQLNMOSMTIV-UHFFFAOYSA-N	1	0	264.304	2.955	40	5		CFBBRO
CC(C)CC[NH2+]C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001715246	169749057	/nfs/dbraw/zinc/74/90/57/169749057.db2.gz	GTDGXMPXUPREMD-LBPRGKRZSA-N	1	0	294.351	2.776	40	5		CFBBRO
CC(=O)O[C@@]12CC[N+]3(C)CCCC[C@@H]3C1=Nc1ccccc12	ZINC000004994794	170051645	/nfs/dbraw/zinc/05/16/45/170051645.db2.gz	ARMUPILZTCCSMV-PGBVBIMESA-N	1	0	299.394	2.934	40	5	in-vitro	CFBBRO
CC(=O)O[C@@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1[N+](C)(C)C	ZINC000005395435	278221048	/nfs/dbraw/zinc/22/10/48/278221048.db2.gz	IFVKEWVXFOSCKO-APIJFGDWSA-N	1	0	254.394	2.593	40	5		CFBBRO
CC(=O)O[C@H]1[C@@H]2CC[C@H]1CC[C@H]2[N+]1(C)CCCCC1	ZINC000000518258	169661002	/nfs/dbraw/zinc/66/10/02/169661002.db2.gz	WLZIRSCGQBPXHK-ZJIFWQFVSA-N	1	0	266.405	2.737	40	5		CFBBRO
CC[n+]1cccc(-c2nc3ccc([N+](=O)[O-])cc3o2)c1	ZINC000226777976	382831664	/nfs/dbraw/zinc/83/16/64/382831664.db2.gz	LJHJWIUPQVQKLD-UHFFFAOYSA-N	1	0	270.268	2.710	40	5		CFBBRO
CC[N+](C)(CC)CCOc1nnc(C)c2ccccc21	ZINC000005469361	170102404	/nfs/dbraw/zinc/10/24/04/170102404.db2.gz	PYSFORWNGZJXGM-UHFFFAOYSA-N	1	0	274.388	2.803	40	5		CFBBRO
Cc1cc(C)[n+](C)c(/C=C\c2ccc([N+](=O)[O-])cc2)n1	ZINC000034895295	171891241	/nfs/dbraw/zinc/89/12/41/171891241.db2.gz	ZZCWABIZUKLPOK-TWGQIWQCSA-N	1	0	270.312	2.602	40	5		CFBBRO
C[N+]1(C)[C@@H]2CCC[C@H]1CC(OC(=O)c1ccco1)C2	ZINC000000484953	371627903	/nfs/dbraw/zinc/62/79/03/371627903.db2.gz	HYYRSRRHKYYYIK-FUNVUKJBSA-N	1	0	264.345	2.596	40	5		CFBBRO
O=C(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000001699180	371698321	/nfs/dbraw/zinc/69/83/21/371698321.db2.gz	LWWCVLKTBXGWGW-UHFFFAOYSA-N	1	0	262.309	2.654	40	5		CFBBRO
O=C(OCC[NH2+]C1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000001709756	169747694	/nfs/dbraw/zinc/74/76/94/169747694.db2.gz	SIBHRIQUJMTOHM-UHFFFAOYSA-N	1	0	292.335	2.674	40	5		CFBBRO
C[N+]1([C@H]2C=CC[C@@H](c3ccccc3)[C@@H]2[N+](=O)[O-])CCCC1	ZINC000004974824	170047835	/nfs/dbraw/zinc/04/78/35/170047835.db2.gz	GMBJYCSBKVMOAN-ULQDDVLXSA-N	1	0	287.383	2.984	40	5		CFBBRO
C[N+]1(C)CCC(c2ccccc2)(c2ccccc2)[C@H](O)C1	ZINC000005699662	170130164	/nfs/dbraw/zinc/13/01/64/170130164.db2.gz	RPNIHXVSEKXGOE-GOSISDBHSA-N	1	0	282.407	2.814	40	5		CFBBRO
CCOC(=O)C1=CC[N+](C)(Cc2ccccc2)CC1	ZINC000003107449	371774475	/nfs/dbraw/zinc/77/44/75/371774475.db2.gz	OJYQYRQOAPBLDC-UHFFFAOYSA-N	1	0	260.357	2.526	40	5		CFBBRO
Cc1cccc(C)c1OC[C@H](O)C[N+](C)(C)C(C)C	ZINC000000307843	169603963	/nfs/dbraw/zinc/60/39/63/169603963.db2.gz	VGQDBIAUIUONEF-OAHLLOKOSA-N	1	0	266.405	2.528	40	5		CFBBRO
C[N+]1(C[C@H]2CO[C@H]([C@H]3CC=CCC3)O2)CCCCC1	ZINC000004184750	169941990	/nfs/dbraw/zinc/94/19/90/169941990.db2.gz	NEBXMGQNBFPSNC-JYJNAYRXSA-N	1	0	266.405	2.715	40	5		CFBBRO
COc1cc2ccc3cc[n+](C)cc3c2cc1OC	ZINC000001659872	277856456	/nfs/dbraw/zinc/85/64/56/277856456.db2.gz	KDAHBEGFANXEDJ-UHFFFAOYSA-N	1	0	254.309	2.835	40	5		CFBBRO
C[N+](C)(C)C[C@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000036631473	372583531	/nfs/dbraw/zinc/58/35/31/372583531.db2.gz	BPWGHWFVBWTIAR-KRWDZBQOSA-N	1	0	286.395	2.800	40	5		CFBBRO
CC1(C)[C@H]2CC[C@]1(C)[C@@H](OCC[N+]1(C)CCOCC1)C2	ZINC000004834220	393459250	/nfs/dbraw/zinc/45/92/50/393459250.db2.gz	ICGYXPYGYBAYQN-YQQAZPJKSA-N	1	0	282.448	2.695	40	5		CFBBRO
CC[NH+](CC)CCCN(C(C)=O)c1ccccc1[N+](=O)[O-]	ZINC000005733750	170135341	/nfs/dbraw/zinc/13/53/41/170135341.db2.gz	ZZYKIWKSQUCIHK-UHFFFAOYSA-N	1	0	293.367	2.680	40	5		CFBBRO
CC(=O)O[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1[N+](C)(C)C	ZINC000005395433	277093763	/nfs/dbraw/zinc/09/37/63/277093763.db2.gz	IFVKEWVXFOSCKO-CBBWQLFWSA-N	1	0	254.394	2.593	40	5		CFBBRO
Cc1cc2c(cc1[N+](=O)[O-])N[C@H](C[NH2+]C(C)C)CC2	ZINC000002029995	371713588	/nfs/dbraw/zinc/71/35/88/371713588.db2.gz	XRDXINBBVUAHGQ-LBPRGKRZSA-N	1	0	263.341	2.628	40	5		CFBBRO
CNC(=O)Oc1ccc([N+](C)(C)C)c(C(C)C)c1	ZINC000001706938	371700129	/nfs/dbraw/zinc/70/01/29/371700129.db2.gz	HVOONIXNJQBSQV-UHFFFAOYSA-O	1	0	251.350	2.725	40	5		CFBBRO
O=[N+]([O-])[C@H]1[C@H]([NH+]2CCCC2)C=CC[C@@H]1c1ccccc1	ZINC000004900568	170038553	/nfs/dbraw/zinc/03/85/53/170038553.db2.gz	LDPQCEJTVBPUPL-BZUAXINKSA-N	1	0	272.348	2.840	40	5		CFBBRO
C[N@+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	ZINC000252460824	280178219	/nfs/dbraw/zinc/17/82/19/280178219.db2.gz	IKTWONOYXLUOSH-VHSSKADRSA-N	1	0	270.352	2.952	40	5		CFBBRO
[NH3+]CCc1ccc2oc3cc(=O)c4ccccc4c-3nc2c1	ZINC000003801145	283447282	/nfs/dbraw/zinc/44/72/82/283447282.db2.gz	PLBZJWKDDGNTJA-UHFFFAOYSA-N	1	0	290.322	2.947	40	5		CFBBRO
Cc1cc(Cl)ccc1OC[C@H](O)C[N+]1(C)CCCC1	ZINC000041690108	372859109	/nfs/dbraw/zinc/85/91/09/372859109.db2.gz	INODMJJZJLPVTK-CQSZACIVSA-N	1	0	284.807	2.629	40	5		CFBBRO
Cc1cc(Cl)ccc1OC[C@@H](O)C[N+]1(C)CCCC1	ZINC000041690111	372860355	/nfs/dbraw/zinc/86/03/55/372860355.db2.gz	INODMJJZJLPVTK-AWEZNQCLSA-N	1	0	284.807	2.629	40	5		CFBBRO
CCOC(=O)[C@@H](C[N+](C)(CC)CC)c1ccccc1	ZINC000001868535	169761739	/nfs/dbraw/zinc/76/17/39/169761739.db2.gz	LDYHKJNCEMJOBD-HNNXBMFYSA-N	1	0	264.389	2.820	40	5		CFBBRO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[NH2+]C1CCCCC1	ZINC000004832055	170026180	/nfs/dbraw/zinc/02/61/80/170026180.db2.gz	YZFVZXFZUKJSDH-UHFFFAOYSA-N	1	0	291.351	2.764	40	5		CFBBRO
C[N+](C)(C)[C@@H]1C2(CCCCC2)NC(=O)C12CCCCC2	ZINC000005029876	170058077	/nfs/dbraw/zinc/05/80/77/170058077.db2.gz	WEYWBGRKEBXGKT-AWEZNQCLSA-O	1	0	279.448	2.844	40	5		CFBBRO
[NH3+]CCn1c2ccccc2c2nc3ccccc3nc21	ZINC000004744648	274946896	/nfs/dbraw/zinc/94/68/96/274946896.db2.gz	GDNBIYLDDMJRCC-UHFFFAOYSA-N	1	0	262.316	2.696	40	5		CFBBRO
C[N+]1(C)[C@@H]2CCC[C@H]1C[C@@H](OC(=O)c1ccco1)C2	ZINC000100745277	185723332	/nfs/dbraw/zinc/72/33/32/185723332.db2.gz	HYYRSRRHKYYYIK-ITGUQSILSA-N	1	0	264.345	2.596	40	5		CFBBRO
C[N+]1(C)[C@@H]2CCC[C@H]1C[C@H](OC(=O)c1ccco1)C2	ZINC000100745278	185723823	/nfs/dbraw/zinc/72/38/23/185723823.db2.gz	HYYRSRRHKYYYIK-CLLJXQQHSA-N	1	0	264.345	2.596	40	5		CFBBRO
CCCCC[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710434	371700763	/nfs/dbraw/zinc/70/07/63/371700763.db2.gz	QVYCMOSDVUKONM-UHFFFAOYSA-N	1	0	280.324	2.531	40	5		CFBBRO
CCC(CC)[NH2+]C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005964851	170163933	/nfs/dbraw/zinc/16/39/33/170163933.db2.gz	RFNOTCVIIDNOEY-LLVKDONJSA-N	1	0	294.351	2.918	40	5		CFBBRO
CC(=O)O[C@H]1C[C@H]2CCCC[C@@H]2C[C@@H]1[N+](C)(C)C	ZINC000005395436	277093832	/nfs/dbraw/zinc/09/38/32/277093832.db2.gz	IFVKEWVXFOSCKO-KBXIAJHMSA-N	1	0	254.394	2.593	40	5		CFBBRO
COc1cc2ccc3c[n+](C)ccc3c2cc1OC	ZINC000001762936	277856511	/nfs/dbraw/zinc/85/65/11/277856511.db2.gz	KGPPOVJWHQBFPE-UHFFFAOYSA-N	1	0	254.309	2.835	40	5		CFBBRO
C[N@@+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	ZINC000252460823	383409133	/nfs/dbraw/zinc/40/91/33/383409133.db2.gz	IKTWONOYXLUOSH-MORSLUCNSA-N	1	0	270.352	2.952	40	5		CFBBRO
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)C	ZINC000041690031	279995663	/nfs/dbraw/zinc/99/56/63/279995663.db2.gz	XTSADITUANKPJU-XUWVNRHRSA-N	1	0	272.453	2.531	40	5		CFBBRO
CC(C)CC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000247693399	348271219	/nfs/dbraw/zinc/27/12/19/348271219.db2.gz	XTNGLQIJCSZYED-YQQAZPJKSA-N	1	0	268.421	2.985	40	5	biogenic,in-vitro	CFBBRO
O=[N+]([O-])[C@H]1[C@H]([NH+]2CCCC2)C=CC[C@H]1c1ccccc1	ZINC000004900567	371875834	/nfs/dbraw/zinc/87/58/34/371875834.db2.gz	LDPQCEJTVBPUPL-ARFHVFGLSA-N	1	0	272.348	2.840	40	5		CFBBRO
C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C	ZINC000096419602	393826837	/nfs/dbraw/zinc/82/68/37/393826837.db2.gz	OBBOTOKGIOHAGX-ILXRZTDVSA-N	1	0	290.363	2.840	40	5		CFBBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910882	262341800	/nfs/dbraw/zinc/34/18/00/262341800.db2.gz	ZFXGZVSMQOGPJH-VIFPVBQESA-N	1	0	297.742	2.529	40	5		CFBBRO
CC(C)CC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000247693403	348271223	/nfs/dbraw/zinc/27/12/23/348271223.db2.gz	XTNGLQIJCSZYED-ZOBUZTSGSA-N	1	0	268.421	2.985	40	5	biogenic,in-vitro	CFBBRO
CC(=O)O[C@@H]1[C@@H]2CC[C@H]1CC[C@H]2[N+]1(C)CCCCC1	ZINC000000354051	371593156	/nfs/dbraw/zinc/59/31/56/371593156.db2.gz	WLZIRSCGQBPXHK-JJXSEGSLSA-N	1	0	266.405	2.737	40	5		CFBBRO
O=[N+]([O-])c1ccc(SC2=[NH+]CCCN2)c(Cl)c1	ZINC000001573987	371681516	/nfs/dbraw/zinc/68/15/16/371681516.db2.gz	ZWEAMBFETLQIDX-UHFFFAOYSA-N	1	0	271.729	2.690	40	5		CFBBRO
CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005471027	170102425	/nfs/dbraw/zinc/10/24/25/170102425.db2.gz	YTMVRQXDRPSAKX-UHFFFAOYSA-N	1	0	299.352	2.937	40	5		CFBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2cccs2)cc1	ZINC000008419618	230370483	/nfs/dbraw/zinc/37/04/83/230370483.db2.gz	VSMBQGKHNGQYMA-UHFFFAOYSA-N	1	0	277.349	2.858	40	5		CFBBRO
C[N+](C)(C)[C@H]1C2(CCCCC2)NC(=O)C12CCCCC2	ZINC000001709033	371700285	/nfs/dbraw/zinc/70/02/85/371700285.db2.gz	WEYWBGRKEBXGKT-CQSZACIVSA-O	1	0	279.448	2.844	40	5		CFBBRO
C[N+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@@H]32	ZINC000005530276	280178205	/nfs/dbraw/zinc/17/82/05/280178205.db2.gz	IKTWONOYXLUOSH-DQAFQZJZSA-N	1	0	270.352	2.952	40	5		CFBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@H](O)C[N+](C)(C)C	ZINC000252507087	334381815	/nfs/dbraw/zinc/38/18/15/334381815.db2.gz	XTSADITUANKPJU-FPCVCCKLSA-N	1	0	272.453	2.531	40	5		CFBBRO
CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1	ZINC000004366423	371853700	/nfs/dbraw/zinc/85/37/00/371853700.db2.gz	RXIREDUYLHNGEC-UHFFFAOYSA-N	1	0	251.330	2.739	40	5		CFBBRO
O=[N+]([O-])c1ccc(CC[N+]23CCC(CC2)CC3)cc1	ZINC000014983376	285111267	/nfs/dbraw/zinc/11/12/67/285111267.db2.gz	GYMFZUUPKYWXQE-UHFFFAOYSA-N	1	0	261.345	2.768	40	5		CFBBRO
C[N@+]12CCCC[C@@H]1[C@@H](COC(=O)c1ccccn1)CCC2	ZINC000247663647	348270998	/nfs/dbraw/zinc/27/09/98/348270998.db2.gz	VASTXPOECXYGMR-IDHHARJASA-N	1	0	289.399	2.648	40	5		CFBBRO
C[NH+](C)CCCNc1ccnc2cccc([N+](=O)[O-])c21	ZINC000001625752	371688467	/nfs/dbraw/zinc/68/84/67/371688467.db2.gz	OYBQBXGOFWWPTH-UHFFFAOYSA-N	1	0	274.324	2.507	40	5		CFBBRO
C[N+](C)(C)CCOc1cccc(Br)c1	ZINC000001668219	371693374	/nfs/dbraw/zinc/69/33/74/371693374.db2.gz	OOVBETAQGQVMNH-UHFFFAOYSA-N	1	0	259.167	2.534	40	5		CFBBRO
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)C	ZINC000041690025	280414918	/nfs/dbraw/zinc/41/49/18/280414918.db2.gz	XTSADITUANKPJU-ZJIFWQFVSA-N	1	0	272.453	2.531	40	5		CFBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccccc2)cc1	ZINC000008436048	230370351	/nfs/dbraw/zinc/37/03/51/230370351.db2.gz	KPGWDZXYBZSBAO-UHFFFAOYSA-N	1	0	271.320	2.797	40	5		CFBBRO
CC(=O)O[C@@H]1[C@@H]2CC[C@H]1CC[C@@H]2[N+]1(C)CCCCC1	ZINC000004025602	371829208	/nfs/dbraw/zinc/82/92/08/371829208.db2.gz	WLZIRSCGQBPXHK-FZKCQIBNSA-N	1	0	266.405	2.737	40	5		CFBBRO
Cc1cc(C)[n+](C)c(/C=C\c2cccc([N+](=O)[O-])c2)n1	ZINC000017145594	372129451	/nfs/dbraw/zinc/12/94/51/372129451.db2.gz	DSUGRSMETSJLSZ-FPLPWBNLSA-N	1	0	270.312	2.602	40	5		CFBBRO
CC(C)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000247658373	256697197	/nfs/dbraw/zinc/69/71/97/256697197.db2.gz	QTBUEOOGFWZGDJ-DZKIICNBSA-N	1	0	254.394	2.595	40	5	biogenic,in-vitro	CFBBRO
C[N@+]12CCCC[C@H]1[C@H](COC(=O)c1ccccn1)CCC2	ZINC000247663652	348270993	/nfs/dbraw/zinc/27/09/93/348270993.db2.gz	VASTXPOECXYGMR-URLQWDBASA-N	1	0	289.399	2.648	40	5		CFBBRO
CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[N+]1(C)CCCC1	ZINC000001247251	371663592	/nfs/dbraw/zinc/66/35/92/371663592.db2.gz	LRELBMYXUAHFMD-FZKCQIBNSA-N	1	0	266.405	2.737	40	5		CFBBRO
Cc1cccc(C)c1OC[C@@H](O)C[N+](C)(C)C(C)C	ZINC000000307846	169604063	/nfs/dbraw/zinc/60/40/63/169604063.db2.gz	VGQDBIAUIUONEF-HNNXBMFYSA-N	1	0	266.405	2.528	40	5		CFBBRO
C[NH2+]CCCc1cccc2nc3ccccc3nc12	ZINC000085392164	179048609	/nfs/dbraw/zinc/04/86/09/179048609.db2.gz	MDEMECKETLDQOY-UHFFFAOYSA-N	1	0	251.333	2.935	40	5		CFBBRO
C[N+](C)(C)C[C@@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000036640178	393524991	/nfs/dbraw/zinc/52/49/91/393524991.db2.gz	FKKIFJGTXSTLAV-AWDGRILASA-N	1	0	296.475	2.677	40	5		CFBBRO
C[N+](C)(Cc1ccccc1)C[C@@H](O)COc1ccccc1	ZINC000001730347	169751869	/nfs/dbraw/zinc/75/18/69/169751869.db2.gz	HROFHOUVIIVROH-QGZVFWFLSA-N	1	0	286.395	2.703	40	5		CFBBRO
CC(=O)O[C@@H]1[C@@H]2CCC[C@H]1CC[C@H]2[N+]1(C)CCCC1	ZINC000004184589	169942032	/nfs/dbraw/zinc/94/20/32/169942032.db2.gz	LRELBMYXUAHFMD-JJXSEGSLSA-N	1	0	266.405	2.737	40	5		CFBBRO
COc1ccc2c(c1)nc1cc(Cl)ccc1[n+]2C	ZINC000005699028	170130290	/nfs/dbraw/zinc/13/02/90/170130290.db2.gz	IMUMKLMPGFFRPQ-UHFFFAOYSA-N	1	0	259.716	2.875	40	5		CFBBRO
CC(C)CC[NH2+]C[C@@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000005962627	170163312	/nfs/dbraw/zinc/16/33/12/170163312.db2.gz	GTDGXMPXUPREMD-GFCCVEGCSA-N	1	0	294.351	2.776	40	5		CFBBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1	ZINC000216910855	262341788	/nfs/dbraw/zinc/34/17/88/262341788.db2.gz	ZFXGZVSMQOGPJH-SECBINFHSA-N	1	0	297.742	2.529	40	5		CFBBRO
COc1ccc2cc3cc[n+](C)cc3cc2c1OC	ZINC000001561335	278000474	/nfs/dbraw/zinc/00/04/74/278000474.db2.gz	UBOIGEHQQPQOMM-UHFFFAOYSA-N	1	0	254.309	2.835	40	5		CFBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccc(F)cc2)cc1	ZINC000008418785	230370466	/nfs/dbraw/zinc/37/04/66/230370466.db2.gz	VBAHBXLSQAPIIL-UHFFFAOYSA-N	1	0	289.310	2.936	40	5		CFBBRO
C[N@+]12CCCC[C@@H]1[C@H](COC(=O)c1ccccn1)CCC2	ZINC000247663655	348270989	/nfs/dbraw/zinc/27/09/89/348270989.db2.gz	VASTXPOECXYGMR-ZSZQSSIHSA-N	1	0	289.399	2.648	40	5		CFBBRO
NC1=[NH+]N(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	ZINC000222546833	283409621	/nfs/dbraw/zinc/40/96/21/283409621.db2.gz	QDIUHSXVYMQZJK-CQSZACIVSA-N	1	0	282.303	2.818	40	5		CFBBRO
C[N+](C)(C)CCOC(=O)Nc1ccc(Cl)cc1	ZINC000002769392	371751238	/nfs/dbraw/zinc/75/12/38/371751238.db2.gz	LQNOWGOISNJOFW-UHFFFAOYSA-O	1	0	257.741	2.595	40	5		CFBBRO
CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@H]2[N+]1(C)CCCC1	ZINC000004184587	371840581	/nfs/dbraw/zinc/84/05/81/371840581.db2.gz	LRELBMYXUAHFMD-ZJIFWQFVSA-N	1	0	266.405	2.737	40	5		CFBBRO
CC(C)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000247658378	383189455	/nfs/dbraw/zinc/18/94/55/383189455.db2.gz	QTBUEOOGFWZGDJ-OFQRWUPVSA-N	1	0	254.394	2.595	40	5	biogenic,in-vitro	CFBBRO
O=[N+]([O-])[C@@H]1[C@H](c2ccccc2)CC=C[C@@H]1[NH+]1CCCC1	ZINC000004900565	285075207	/nfs/dbraw/zinc/07/52/07/285075207.db2.gz	LDPQCEJTVBPUPL-HRCADAONSA-N	1	0	272.348	2.840	40	5		CFBBRO
C[N+]1([C@H]2C=CC[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])CCCC1	ZINC000004974822	170047864	/nfs/dbraw/zinc/04/78/64/170047864.db2.gz	GMBJYCSBKVMOAN-IKGGRYGDSA-N	1	0	287.383	2.984	40	5		CFBBRO
CC[NH+](CC)CCNc1c2ccccc2ncc1[N+](=O)[O-]	ZINC000005758995	273636398	/nfs/dbraw/zinc/63/63/98/273636398.db2.gz	WALPCHXOWSMXOR-UHFFFAOYSA-N	1	0	288.351	2.897	40	5		CFBBRO
C[N+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@H]32	ZINC000005530279	280178094	/nfs/dbraw/zinc/17/80/94/280178094.db2.gz	IKTWONOYXLUOSH-VELWFJCASA-N	1	0	270.352	2.952	40	5		CFBBRO
CC(C)CC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000247693400	348271227	/nfs/dbraw/zinc/27/12/27/348271227.db2.gz	XTNGLQIJCSZYED-ZMSDIMECSA-N	1	0	268.421	2.985	40	5	biogenic,in-vitro	CFBBRO
COc1cc2c[n+]3c4c(cccc4c2cc1OC)CC3	ZINC000000900876	371653784	/nfs/dbraw/zinc/65/37/84/371653784.db2.gz	DYLVVAHQPYKZRX-UHFFFAOYSA-N	1	0	266.320	2.854	40	5	in-vitro	CFBBRO
Cc1cc(OC[C@H](O)C[N+](C)(C)C)ccc1C(C)C	ZINC000041690009	372859361	/nfs/dbraw/zinc/85/93/61/372859361.db2.gz	BNDQVBHCWNJKOW-CQSZACIVSA-N	1	0	266.405	2.564	40	5		CFBBRO
C[N+](C)(Cc1ccccc1)C[C@H](O)COc1ccccc1	ZINC000006184037	170181144	/nfs/dbraw/zinc/18/11/44/170181144.db2.gz	HROFHOUVIIVROH-KRWDZBQOSA-N	1	0	286.395	2.703	40	5		CFBBRO
CC[n+]1ccccc1Oc1c([N+](=O)[O-])cccc1[N+](=O)[O-]	ZINC000004719250	273766606	/nfs/dbraw/zinc/76/66/06/273766606.db2.gz	BCSOSEWKEHRGRJ-UHFFFAOYSA-N	1	0	290.255	2.603	40	5		CFBBRO
CC1CC[NH+](CCC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000001598705	371686640	/nfs/dbraw/zinc/68/66/40/371686640.db2.gz	NLRNOTAEEZLSOQ-UHFFFAOYSA-N	1	0	276.336	2.900	40	5		CFBBRO
C[N+]1(C)CCC(c2ccccc2)(c2ccccc2)[C@@H](O)C1	ZINC000001594097	169721638	/nfs/dbraw/zinc/72/16/38/169721638.db2.gz	RPNIHXVSEKXGOE-SFHVURJKSA-N	1	0	282.407	2.814	40	5		CFBBRO
CC1=CC[C@@H]2CO[C@@H](C[N+]3(C)CCCCC3)[C@H]1C2	ZINC000000280954	393449315	/nfs/dbraw/zinc/44/93/15/393449315.db2.gz	ZPZRJVRZBUVASI-JYJNAYRXSA-N	1	0	250.406	2.988	40	5		CFBBRO
O=[N+]([O-])c1ccc(NCC[NH2+]Cc2ccccc2F)cc1	ZINC000008435769	230370475	/nfs/dbraw/zinc/37/04/75/230370475.db2.gz	GGQGKRHDRGKHRC-UHFFFAOYSA-N	1	0	289.310	2.936	40	5		CFBBRO
O=C(CC[N@@H+]1CC[C@@H]2CC[C@@H](C2)C1)c1ccc([N+](=O)[O-])o1	ZINC000001615816	371688841	/nfs/dbraw/zinc/68/88/41/371688841.db2.gz	PJHDTMHTTYTZSH-RYUDHWBXSA-N	1	0	292.335	2.883	40	5		CFBBRO
CCC(CC)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000002783733	371752766	/nfs/dbraw/zinc/75/27/66/371752766.db2.gz	VXIVMKUHOKQGGE-UHFFFAOYSA-N	1	0	291.395	2.901	40	5		CFBBRO
CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[N+]1(C)CCOCC1)C2	ZINC000004350119	371850862	/nfs/dbraw/zinc/85/08/62/371850862.db2.gz	ICGYXPYGYBAYQN-ZMSDIMECSA-N	1	0	282.448	2.695	40	5		CFBBRO
CC[n+]1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1	ZINC000226778006	382831741	/nfs/dbraw/zinc/83/17/41/382831741.db2.gz	IQEWMZZXQFOLSH-UHFFFAOYSA-N	1	0	270.268	2.710	40	5		CFBBRO
CC[N+]1(CCOC(=O)Cc2ccccc2)CCCCC1	ZINC000216749717	393755829	/nfs/dbraw/zinc/75/58/29/393755829.db2.gz	NRKGFDBEWFXRKR-UHFFFAOYSA-N	1	0	276.400	2.793	40	5		CFBBRO
C[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C	ZINC000096419604	393827176	/nfs/dbraw/zinc/82/71/76/393827176.db2.gz	OBBOTOKGIOHAGX-KKUMJFAQSA-N	1	0	290.363	2.840	40	5		CFBBRO
C[N+]1([C@@H]2C=CC[C@H](c3ccccc3)[C@@H]2[N+](=O)[O-])CCCC1	ZINC000004974821	170047640	/nfs/dbraw/zinc/04/76/40/170047640.db2.gz	GMBJYCSBKVMOAN-ZACQAIPSSA-N	1	0	287.383	2.984	40	5		CFBBRO
C[N+]1([C@@H]2C=CC[C@@H](c3ccccc3)[C@@H]2[N+](=O)[O-])CCCC1	ZINC000004974823	170047739	/nfs/dbraw/zinc/04/77/39/170047739.db2.gz	GMBJYCSBKVMOAN-BBWFWOEESA-N	1	0	287.383	2.984	40	5		CFBBRO
Cc1cc(C)[n+](C)c(/C=C/c2ccc([N+](=O)[O-])cc2)n1	ZINC000006500551	170207731	/nfs/dbraw/zinc/20/77/31/170207731.db2.gz	ZZCWABIZUKLPOK-RMKNXTFCSA-N	1	0	270.312	2.602	40	5		CFBBRO
C[N@+]12CCCC[C@H]1[C@@H](COC(=O)c1ccccn1)CCC2	ZINC000247663649	348270996	/nfs/dbraw/zinc/27/09/96/348270996.db2.gz	VASTXPOECXYGMR-SIXWZSSISA-N	1	0	289.399	2.648	40	5		CFBBRO
O=[N+]([O-])c1ccc([C@@H](O)CC[NH+]2CCCCC2)cc1	ZINC000001871388	371710617	/nfs/dbraw/zinc/71/06/17/371710617.db2.gz	SWBBBDRCBQQWAO-AWEZNQCLSA-N	1	0	264.325	2.504	40	5		CFBBRO
Cc1cc(OC[C@@H](O)C[N+](C)(C)C)ccc1C(C)C	ZINC000041690012	372859389	/nfs/dbraw/zinc/85/93/89/372859389.db2.gz	BNDQVBHCWNJKOW-AWEZNQCLSA-N	1	0	266.405	2.564	40	5		CFBBRO
Cc1ccc(OC[C@@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1	ZINC000226071663	382824317	/nfs/dbraw/zinc/82/43/17/382824317.db2.gz	YDOXKJZKUAXTRZ-AWEZNQCLSA-N	1	0	280.432	2.738	40	5		CFBBRO
Cc1c([N+]#N)cc(I)cc1[N+](=O)[O-]	ZINC000004743129	393458849	/nfs/dbraw/zinc/45/88/49/393458849.db2.gz	DHCKJNNSRKJVPN-UHFFFAOYSA-N	1	0	290.040	2.992	40	5		CFBBRO
COc1ccc2c(c1)nc1ccc(Cl)cc1[n+]2C	ZINC000005699027	170130406	/nfs/dbraw/zinc/13/04/06/170130406.db2.gz	QQCAWJWTDYSRFU-UHFFFAOYSA-N	1	0	259.716	2.875	40	5		CFBBRO
Cc1cc(C)[n+](C)c(/C=C/c2cccc([N+](=O)[O-])c2)n1	ZINC000016890052	170713886	/nfs/dbraw/zinc/71/38/86/170713886.db2.gz	DSUGRSMETSJLSZ-BQYQJAHWSA-N	1	0	270.312	2.602	40	5		CFBBRO
C[N+](C)(C)CCCSc1nc2ccccc2[nH]1	ZINC000037868642	173814360	/nfs/dbraw/zinc/81/43/60/173814360.db2.gz	LUAZMBWCCSIKIT-UHFFFAOYSA-N	1	0	250.391	2.751	40	5	in-vitro	CFBBRO
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[N+]1(C)CCOCC1)C2	ZINC000004350122	281452394	/nfs/dbraw/zinc/45/23/94/281452394.db2.gz	ICGYXPYGYBAYQN-INMHGKMJSA-N	1	0	282.448	2.695	40	5		CFBBRO
C[N+](C)(CCO)C(c1ccccc1)c1ccccc1	ZINC000001664717	371691199	/nfs/dbraw/zinc/69/11/99/371691199.db2.gz	RZVRGGBYYCXZGC-UHFFFAOYSA-N	1	0	256.369	2.845	40	5		CFBBRO
O=C(CC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000001662186	371692280	/nfs/dbraw/zinc/69/22/80/371692280.db2.gz	VPCULVUQAJGQEY-UHFFFAOYSA-N	1	0	262.309	2.654	40	5		CFBBRO
C[NH+]1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)CC1	ZINC000216921373	382785080	/nfs/dbraw/zinc/78/50/80/382785080.db2.gz	ZYFBONWQFFDSJU-UHFFFAOYSA-N	1	0	297.742	2.529	40	5		CFBBRO
Cc1ccc(OC[C@H](O)C[N+](C)(C)C)c(C(C)(C)C)c1	ZINC000226071674	382824374	/nfs/dbraw/zinc/82/43/74/382824374.db2.gz	YDOXKJZKUAXTRZ-CQSZACIVSA-N	1	0	280.432	2.738	40	5		CFBBRO
COc1cc2c[n+](C)c3ccccc3c2cc1OC	ZINC000001561334	169714294	/nfs/dbraw/zinc/71/42/94/169714294.db2.gz	JYXCVWQNWVRMHK-UHFFFAOYSA-N	1	0	254.309	2.835	40	5		CFBBRO
c1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4	ZINC000001560927	285461349	/nfs/dbraw/zinc/46/13/49/285461349.db2.gz	HEPAETZTOMPKRE-UHFFFAOYSA-N	1	0	250.277	2.565	40	5		CFBBRO
CC[NH+](CC)CCCNc1ccccc1[N+](=O)[O-]	ZINC000004707133	170002433	/nfs/dbraw/zinc/00/24/33/170002433.db2.gz	MRDUXQSIYBIIPD-UHFFFAOYSA-N	1	0	251.330	2.739	40	5		CFBBRO
O=[N+]([O-])c1ccc([C@H](O)CC[NH+]2CCCCC2)cc1	ZINC000006536061	170211123	/nfs/dbraw/zinc/21/11/23/170211123.db2.gz	SWBBBDRCBQQWAO-CQSZACIVSA-N	1	0	264.325	2.504	40	5		CFBBRO
O=[N+]([O-])[C@@H]1[C@@H](c2ccccc2)CC=C[C@@H]1[NH+]1CCCC1	ZINC000004900566	371875548	/nfs/dbraw/zinc/87/55/48/371875548.db2.gz	LDPQCEJTVBPUPL-OWCLPIDISA-N	1	0	272.348	2.840	40	5		CFBBRO
C[N+](C)(C)CCCNC(=O)Nc1ccc(Cl)cc1	ZINC000001734875	169752710	/nfs/dbraw/zinc/75/27/10/169752710.db2.gz	AQWIIOQXTFGOOP-UHFFFAOYSA-O	1	0	270.784	2.558	40	5		CFBBRO
Nc1cc(NCC[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-]	ZINC000045221351	175329955	/nfs/dbraw/zinc/32/99/55/175329955.db2.gz	OZIFPIDVOVSHJY-UHFFFAOYSA-N	1	0	298.774	2.728	40	5		CFBBRO
C[N@+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@H]32	ZINC000252460822	280178178	/nfs/dbraw/zinc/17/81/78/280178178.db2.gz	IKTWONOYXLUOSH-KKXDTOCCSA-N	1	0	270.352	2.952	40	5		CFBBRO
Cc1cc([N+](=O)[O-])cc2nc(-c3ccc[n+](C)c3)oc21	ZINC000226778231	280657306	/nfs/dbraw/zinc/65/73/06/280657306.db2.gz	MTRKPQIOXCYXNC-UHFFFAOYSA-N	1	0	270.268	2.536	40	5		CFBBRO
NC1=[NH+]N(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	ZINC000222546897	295210261	/nfs/dbraw/zinc/21/02/61/295210261.db2.gz	QDIUHSXVYMQZJK-AWEZNQCLSA-N	1	0	282.303	2.818	40	5		CFBBRO
C[N+](C)(C)CCN(Cc1cccs1)c1ccccn1	ZINC000022910908	372248569	/nfs/dbraw/zinc/24/85/69/372248569.db2.gz	IBNBVTHQCQKWBU-UHFFFAOYSA-N	1	0	276.429	2.856	40	5	in-vitro	CFBBRO
CC[N+](CC)(CC)CNC(=O)c1cccc(Cl)c1	ZINC000261828393	190044987	/nfs/dbraw/zinc/04/49/87/190044987.db2.gz	MWEXWXIMBFTFRM-UHFFFAOYSA-O	1	0	269.796	2.904	40	5		CFBBRO
CCC(CC)[NH2+]C[C@H](C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001711725	169748065	/nfs/dbraw/zinc/74/80/65/169748065.db2.gz	RFNOTCVIIDNOEY-NSHDSACASA-N	1	0	294.351	2.918	40	5		CFBBRO
CCCCN(CCCC)C(=O)OCC[N+](C)(C)C	ZINC000001683307	371697499	/nfs/dbraw/zinc/69/74/99/371697499.db2.gz	MDZPQSZLYUQBKT-UHFFFAOYSA-N	1	0	259.414	2.731	40	5		CFBBRO
C[NH+](C)CCNc1cccc2oc3ccc(O)cc3c(=O)c12	ZINC000005486757	393460366	/nfs/dbraw/zinc/46/03/66/393460366.db2.gz	GTDOTAYBRNQTSR-UHFFFAOYSA-N	1	0	298.342	2.625	40	5		CFBBRO
CC[N+](CC)(CC)CCOc1ccc(NC(C)=O)cc1	ZINC000005003980	170053789	/nfs/dbraw/zinc/05/37/89/170053789.db2.gz	RKGXPTQHZHNBSC-UHFFFAOYSA-O	1	0	279.404	2.900	40	5		CFBBRO
CCOC(=O)[C@H](C[N+](C)(CC)CC)c1ccccc1	ZINC000006424786	170200044	/nfs/dbraw/zinc/20/00/44/170200044.db2.gz	LDYHKJNCEMJOBD-OAHLLOKOSA-N	1	0	264.389	2.820	40	5		CFBBRO
O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1	ZINC000039034259	174162086	/nfs/dbraw/zinc/16/20/86/174162086.db2.gz	WNSLOGBIDDUHRI-UHFFFAOYSA-N	1	0	287.275	2.793	40	5		CFBBRO
CC(C)(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000000265586	277131757	/nfs/dbraw/zinc/13/17/57/277131757.db2.gz	NZYBBNQLDAYWJE-RFOFMGPBSA-N	1	0	268.421	2.985	40	5		CFBBRO
CC(=O)O[C@]12CC[N+]3(C)CCCC[C@@H]3C1=Nc1ccccc12	ZINC000004994795	278222559	/nfs/dbraw/zinc/22/25/59/278222559.db2.gz	ARMUPILZTCCSMV-MARPTJLWSA-N	1	0	299.394	2.934	40	5	in-vitro	CFBBRO
C[N@@+]12CCC3=CCC[C@@H](c4cc5c(cc4C1)OCO5)[C@H]32	ZINC000252460821	280178276	/nfs/dbraw/zinc/17/82/76/280178276.db2.gz	IKTWONOYXLUOSH-DOPJRALCSA-N	1	0	270.352	2.952	40	5		CFBBRO
CC[NH2+]CCOc1cccc2nc3ccccc3nc21	ZINC000085390678	179047896	/nfs/dbraw/zinc/04/78/96/179047896.db2.gz	ZJNXUIYNLYXBPC-UHFFFAOYSA-N	1	0	267.332	2.771	40	5		CFBBRO
CCCCOC(=[NH2+])N(CCCC)CC(C)(C)[N+](=O)[O-]	ZINC000001670584	371694882	/nfs/dbraw/zinc/69/48/82/371694882.db2.gz	XOJUSMISSKNOHE-UHFFFAOYSA-N	1	0	273.377	2.895	40	5		CFBBRO
CC(=O)O[C@H]1[C@@H]2CCC[C@H]1CC[C@@H]2[N+]1(C)CCCC1	ZINC000013800021	372049483	/nfs/dbraw/zinc/04/94/83/372049483.db2.gz	LRELBMYXUAHFMD-XUWVNRHRSA-N	1	0	266.405	2.737	40	5		CFBBRO
CCC(CC)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710435	169747666	/nfs/dbraw/zinc/74/76/66/169747666.db2.gz	CCLLPSPZZROCGU-UHFFFAOYSA-N	1	0	280.324	2.530	40	5		CFBBRO
C[N+](C)(C)C[C@@H](O)COc1ccc(-c2ccccc2)cc1	ZINC000036631474	372583870	/nfs/dbraw/zinc/58/38/70/372583870.db2.gz	BPWGHWFVBWTIAR-QGZVFWFLSA-N	1	0	286.395	2.800	40	5		CFBBRO
O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)cc1[N+](=O)[O-]	ZINC000004975008	170047866	/nfs/dbraw/zinc/04/78/66/170047866.db2.gz	SLTKVLYKGLNVSA-UHFFFAOYSA-N	1	0	296.262	2.933	40	5		CFBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)C	ZINC000041690022	280412035	/nfs/dbraw/zinc/41/20/35/280412035.db2.gz	XTSADITUANKPJU-KLHDSHLOSA-N	1	0	272.453	2.531	40	5		CFBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC[C@@H](O)C[N+](C)(C)C	ZINC000252507088	334381786	/nfs/dbraw/zinc/38/17/86/334381786.db2.gz	XTSADITUANKPJU-QKPAOTATSA-N	1	0	272.453	2.531	40	5		CFBBRO
Cc1cc2c(cc1[N+](=O)[O-])N[C@@H](C[NH2+]C(C)C)CC2	ZINC000001561127	371681494	/nfs/dbraw/zinc/68/14/94/371681494.db2.gz	XRDXINBBVUAHGQ-GFCCVEGCSA-N	1	0	263.341	2.628	40	5		CFBBRO
CCc1cc([N+](=O)[O-])cc2nc(-c3ccc[n+](C)c3)oc21	ZINC000226234637	382825285	/nfs/dbraw/zinc/82/52/85/382825285.db2.gz	INMRXIFHCPJWEQ-UHFFFAOYSA-N	1	0	284.295	2.790	40	5		CFBBRO
CC[N@@+](C)(C(=O)[O-])c1cccc([C@H](C)[NH+](C)C)c1	ZINC000252676621	383427522	/nfs/dbraw/zinc/42/75/22/383427522.db2.gz	XPQWZGUNGYAQED-MEDUHNTESA-O	1	0	251.350	2.944	40	5		CFBBRO
O=[N+]([O-])c1ccc(-[n+]2ccc3ccccc3c2)c([N+](=O)[O-])c1	ZINC000005669875	275034505	/nfs/dbraw/zinc/03/45/05/275034505.db2.gz	VOBRDRJWLHTGSG-UHFFFAOYSA-N	1	0	296.262	2.933	40	5		CFBBRO
CC(C)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000004028904	277335311	/nfs/dbraw/zinc/33/53/11/277335311.db2.gz	QTBUEOOGFWZGDJ-NNKZFNQJSA-N	1	0	254.394	2.595	40	5		CFBBRO
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@H](O)C[N+](C)(C)C	ZINC000041690028	277796613	/nfs/dbraw/zinc/79/66/13/277796613.db2.gz	XTSADITUANKPJU-LVQVYYBASA-N	1	0	272.453	2.531	40	5		CFBBRO
Cc1c(NC(=O)CC2CC[NH+](C)CC2)cccc1[N+](=O)[O-]	ZINC000216895481	189706786	/nfs/dbraw/zinc/70/67/86/189706786.db2.gz	LWMQCZJYCZVKLA-UHFFFAOYSA-N	1	0	291.351	2.574	40	5		CFBBRO
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC[C@@H](O)C[N+](C)(C)C	ZINC000226169980	382824913	/nfs/dbraw/zinc/82/49/13/382824913.db2.gz	XTSADITUANKPJU-QXSJWSMHSA-N	1	0	272.453	2.531	40	5		CFBBRO
CC(=O)O[C@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1[N+](C)(C)C	ZINC000005395434	277093891	/nfs/dbraw/zinc/09/38/91/277093891.db2.gz	IFVKEWVXFOSCKO-QPSCCSFWSA-N	1	0	254.394	2.593	40	5		CFBBRO
CC[N@@+](C)(C(=O)[O-])c1cccc([C@@H](C)[NH+](C)C)c1	ZINC000252676620	281354302	/nfs/dbraw/zinc/35/43/02/281354302.db2.gz	XPQWZGUNGYAQED-BDJLRTHQSA-O	1	0	251.350	2.944	40	5		CFBBRO
CC(C)CC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000247693396	348271205	/nfs/dbraw/zinc/27/12/05/348271205.db2.gz	XTNGLQIJCSZYED-UXLLHSPISA-N	1	0	268.421	2.985	40	5	biogenic,in-vitro	CFBBRO
Cc1ccc([N+](=O)[O-])c2c(NCCC[NH+](C)C)ccnc12	ZINC000001625753	371689723	/nfs/dbraw/zinc/68/97/23/371689723.db2.gz	UQSMDQGHUADVPF-UHFFFAOYSA-N	1	0	288.351	2.815	40	5		CFBBRO
[NH2+]=C(NCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000255187687	383477536	/nfs/dbraw/zinc/47/75/36/383477536.db2.gz	GDCYJTXNETUNME-UHFFFAOYSA-N	1	0	270.292	2.731	40	5		CFBBRO
C[N+]1(C[C@H]2CO[C@@H]([C@H]3CC=CCC3)O2)CCCCC1	ZINC000004184758	169942077	/nfs/dbraw/zinc/94/20/77/169942077.db2.gz	NEBXMGQNBFPSNC-HRCADAONSA-N	1	0	266.405	2.715	40	5		CFBBRO
C[N+](C)(C)C[C@H](O)COCCC12CC3CC(CC(C3)C1)C2	ZINC000036640177	278573258	/nfs/dbraw/zinc/57/32/58/278573258.db2.gz	FKKIFJGTXSTLAV-LESVLKBLSA-N	1	0	296.475	2.677	40	5		CFBBRO