smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C=CC[C@H](C=C)[N+]1(CC(=O)OC)CCCCC1	ZINC000005008227	717098642	/nfs/dbraw/zinc/09/86/42/717098642.db2.gz	KKLLLQLJMDZNJY-ZDUSSCGKSA-N	1	0	238.351	2.291	3	30		BEEFRO
CN/C(=[NH+]\C)N1Cc2cccc3c2[C@H](CCC3)C1	ZINC000027768365	188283478	/nfs/dbraw/zinc/28/34/78/188283478.db2.gz	YDIRDOUTVDWEIH-CYBMUJFWSA-N	1	0	243.354	2.127	1	30		BEEFRO
CC(C)(C)[N+](=O)Cc1c[nH]c(-c2ccoc2)n1	ZINC000026276419	166518582	/nfs/dbraw/zinc/51/85/82/166518582.db2.gz	VAACOMXAXCIYGY-CHHVJCJISA-N	1	0	233.271	2.397	1	30		BEEFRO
O=C1C[N+]2(CCCCC2)c2ccc([N+](=O)[O-])cc21	ZINC000084669463	717135758	/nfs/dbraw/zinc/13/57/58/717135758.db2.gz	NESDVHRCXVFSMA-UHFFFAOYSA-N	1	0	247.274	2.282	1	30		BEEFRO
C=CCc1cccc(OC[C@@H](O)C[NH2+]C(C)C)c1	ZINC000026725960	187207491	/nfs/dbraw/zinc/20/74/91/187207491.db2.gz	XYBDCAYPKRUVCK-AWEZNQCLSA-N	1	0	249.354	2.153	1	30		BEEFRO
C=C(C)[C@H]1CC[N@@H+]2Cc3ccccc3C[C@H]2[C@H]1O	ZINC000026738888	187207393	/nfs/dbraw/zinc/20/73/93/187207393.db2.gz	LZVHAOCZNSTRFJ-PMPSAXMXSA-N	1	0	243.350	2.370	1	30		BEEFRO
CC(=CN=NC(N)=[NH2+])C(Cl)c1ccccc1	ZINC000040864397	187602531	/nfs/dbraw/zinc/60/25/31/187602531.db2.gz	VCLKKKYMLVHJES-SRTZDBFQSA-N	1	0	236.706	2.125	1	30		BEEFRO
C#CC[N@@H+]1CCC[C@@H]2Cc3ccccc3C[C@@H]21	ZINC000027411341	188234016	/nfs/dbraw/zinc/23/40/16/188234016.db2.gz	QBYJCHHMWPLLFC-CVEARBPZSA-N	1	0	225.335	2.499	1	30		BEEFRO
C=C(C[NH+](C)C)C(=O)c1ccc(C)cc1	ZINC000038294186	188291218	/nfs/dbraw/zinc/29/12/18/188291218.db2.gz	SWKRDPAQGBETHO-UHFFFAOYSA-N	1	0	203.285	2.296	1	30		BEEFRO
C=CC[N@@H+](C)[C@@H](c1ccccc1)C1COCOC1	ZINC000039215610	166324570	/nfs/dbraw/zinc/32/45/70/166324570.db2.gz	DMQAFVTVTOQICO-HNNXBMFYSA-N	1	0	247.338	2.466	1	30		BEEFRO
CC1(C)[C@H]2C[C@@H]1C(/C=[NH+]/n1cnnc1)=CC2	ZINC000004924409	168003265	/nfs/dbraw/zinc/00/32/65/168003265.db2.gz	XXGDBFBBQLDWKK-QNISLJQISA-N	1	0	216.288	2.104	1	30		BEEFRO
C[C@H]1CCC/C(=C/[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000013554137	177069260	/nfs/dbraw/zinc/06/92/60/177069260.db2.gz	DTYUINVVIMERIJ-JHSTVQJJSA-N	1	0	207.317	2.396	1	30		BEEFRO
C[C@H]1CCC/C(=C\[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000013554133	177069278	/nfs/dbraw/zinc/06/92/78/177069278.db2.gz	DTYUINVVIMERIJ-CLCRQULESA-N	1	0	207.317	2.396	1	30		BEEFRO
C#CCCCON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780863	187932607	/nfs/dbraw/zinc/93/26/07/187932607.db2.gz	FDFCRHRWOPCEHH-BETUJISGSA-N	1	0	220.316	2.029	1	30		BEEFRO
NC(=[NH2+])N=NC1=CCc2cccc3cccc1c32	ZINC000045189186	181187470	/nfs/dbraw/zinc/18/74/70/181187470.db2.gz	BXYHEMRAMXVSJC-ATVHPVEESA-N	1	0	236.278	2.054	1	30		BEEFRO
CC(C)(C)[N+](=O)Cc1ccc2c(c1)OCO2	ZINC000034381227	166518578	/nfs/dbraw/zinc/51/85/78/166518578.db2.gz	JMJDVDWVBUEBBW-QPEQYQDCSA-N	1	0	221.256	2.143	1	30		BEEFRO
O=C(C[n+]1ccccc1)Nc1ccc(Cl)cc1	ZINC000103221584	182032539	/nfs/dbraw/zinc/03/25/39/182032539.db2.gz	OUVMTQFNZBXLBC-UHFFFAOYSA-O	1	0	247.705	2.266	1	30		BEEFRO
CCCC[C@]1(C(=O)OCC)C[C@@H](C)C[N+]1=O	ZINC000028958381	169014883	/nfs/dbraw/zinc/01/48/83/169014883.db2.gz	ZEHGPGQXMWHBFU-ZYHUDNBSSA-N	1	0	227.304	2.099	1	30		BEEFRO
Cc1cc(C)c(C(=O)C[n+]2ccn(C)c2)c(C)c1	ZINC000026388237	177839618	/nfs/dbraw/zinc/83/96/18/177839618.db2.gz	XDVGDXWLGXPDIB-UHFFFAOYSA-N	1	0	243.330	2.121	1	30		BEEFRO
Cc1ccccc1-c1ccc(C=NNC(N)=[NH2+])o1	ZINC000045284117	179235369	/nfs/dbraw/zinc/23/53/69/179235369.db2.gz	COOWUUOZBOYBLG-LZYBPNLTSA-N	1	0	242.282	2.072	1	30		BEEFRO
COc1ccccc1NC(=O)c1cc[n+](C)cc1	ZINC000000364613	175315146	/nfs/dbraw/zinc/31/51/46/175315146.db2.gz	DDWLFXSNTAMWNX-UHFFFAOYSA-O	1	0	243.286	2.156	3	30		BEEFRO
C[N+]1(C)CCCC[C@@H]1/C=C1\CCCC1=O	ZINC000013554140	717108360	/nfs/dbraw/zinc/10/83/60/717108360.db2.gz	OOJLYSYRYPHNOI-HCRIHEDKSA-N	1	0	208.325	2.295	1	30		BEEFRO
C=C(C)[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@@H](C)C1	ZINC000100751741	187264735	/nfs/dbraw/zinc/26/47/35/187264735.db2.gz	OCSIKSHIPBGUCN-JTQLQIEISA-N	1	0	243.310	2.240	1	30		BEEFRO
O=C(C[S+]1CCCC1)c1ccccc1	ZINC000015780073	182031786	/nfs/dbraw/zinc/03/17/86/182031786.db2.gz	VMMIZNKPCLNGSS-UHFFFAOYSA-N	1	0	207.318	2.281	1	30	in-vitro	BEEFRO
CC1(C)[C@@H]2C[C@H]1C(/C=[NH+]/n1cnnc1)=CC2	ZINC000003255185	168009588	/nfs/dbraw/zinc/00/95/88/168009588.db2.gz	XXGDBFBBQLDWKK-UKEOCHLASA-N	1	0	216.288	2.104	1	30		BEEFRO
C[N+](C)(C)/C=N\c1cccc2nsnc21	ZINC000095558847	717138740	/nfs/dbraw/zinc/13/87/40/717138740.db2.gz	PUGKPOXUGBQSCB-XFFZJAGNSA-N	1	0	221.309	2.057	1	30		BEEFRO
C[N@@H+]1CCC=C(C(=O)Cc2ccccc2)C1	ZINC000027645145	187255951	/nfs/dbraw/zinc/25/59/51/187255951.db2.gz	DRRVARVJFQSEKL-UHFFFAOYSA-N	1	0	215.296	2.060	1	30		BEEFRO
Cc1ccc(NC(=O)CC[S+](C)C)cc1	ZINC000026991660	178724748	/nfs/dbraw/zinc/72/47/48/178724748.db2.gz	YDQTUHPATGFQMI-UHFFFAOYSA-O	1	0	224.349	2.202	1	30		BEEFRO
C#C[C@@H](CC)ON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780855	166212391	/nfs/dbraw/zinc/21/23/91/166212391.db2.gz	DIILXVCVGNHOQK-XQQFMLRXSA-N	1	0	220.316	2.027	1	30		BEEFRO
CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CC[NH2+]C1	ZINC000029129511	172841145	/nfs/dbraw/zinc/84/11/45/172841145.db2.gz	JRLQHFJOFRKAKS-CYBMUJFWSA-N	1	0	249.745	2.005	1	30		BEEFRO
C[N@H+]1CC=C(C(=O)Cc2ccccc2)CC1	ZINC000027645160	187256041	/nfs/dbraw/zinc/25/60/41/187256041.db2.gz	VNAYEVSSMFYHKG-UHFFFAOYSA-N	1	0	215.296	2.060	1	30		BEEFRO
C=C(C)[N@H+]1Cc2cccc3[nH]c(=O)n(c32)[C@H](C)C1	ZINC000100751740	188291875	/nfs/dbraw/zinc/29/18/75/188291875.db2.gz	OCSIKSHIPBGUCN-SNVBAGLBSA-N	1	0	243.310	2.240	1	30		BEEFRO
Fc1ccccc1/C=N/O[C@H]1C[NH+]2CCC1CC2	ZINC000095590906	181010737	/nfs/dbraw/zinc/01/07/37/181010737.db2.gz	CGAOIVHZHYKSOV-FSEGOYHTSA-N	1	0	248.301	2.270	1	30		BEEFRO
CCCC[C@]1(C(=O)OCC)[C@H](C)CC[N+]1=O	ZINC000028958414	169015355	/nfs/dbraw/zinc/01/53/55/169015355.db2.gz	WNNFLVKKZAWUGI-ZYHUDNBSSA-N	1	0	227.304	2.099	1	30		BEEFRO
C[S+](C)CCC(=O)Nc1ccc(F)cc1	ZINC000026985395	187254535	/nfs/dbraw/zinc/25/45/35/187254535.db2.gz	YQQIAPDKVWQWFW-UHFFFAOYSA-O	1	0	228.312	2.032	1	30		BEEFRO
[NH2+]=C(CS)NC12CC3CC(CC(C3)C1)C2	ZINC000002020591	181185501	/nfs/dbraw/zinc/18/55/01/181185501.db2.gz	JCAPKVLAOOSGIP-UHFFFAOYSA-N	1	0	224.373	2.452	1	30		BEEFRO
[NH3+]C[C@H]1C[C@@H]1c1ccc(C#CCCCCO)cc1	ZINC000040913586	181468027	/nfs/dbraw/zinc/46/80/27/181468027.db2.gz	ULYKRUYRVLPKKJ-HZPDHXFCSA-N	1	0	243.350	2.263	1	30		BEEFRO
[NH3+][C@@H](CS)CSCc1ccccc1	ZINC000028255036	181552480	/nfs/dbraw/zinc/55/24/80/181552480.db2.gz	QSHJKYLNKRANSL-JTQLQIEISA-N	1	0	213.371	2.177	1	30		BEEFRO
C=CC[N@@H+](C)[C@H](c1ccccc1)C1COCOC1	ZINC000039215611	166322284	/nfs/dbraw/zinc/32/22/84/166322284.db2.gz	DMQAFVTVTOQICO-OAHLLOKOSA-N	1	0	247.338	2.466	1	30		BEEFRO
C=CCN1CC2C[NH+](CC=C)CC(C1)C2(C)C	ZINC000026984392	166352894	/nfs/dbraw/zinc/35/28/94/166352894.db2.gz	JIXWFVDDQFNOIV-UHFFFAOYSA-N	1	0	234.387	2.248	1	30		BEEFRO
C=CC[C@@H](C=C)[N+]1(CC(=O)OC)CCCCC1	ZINC000005008226	717098249	/nfs/dbraw/zinc/09/82/49/717098249.db2.gz	KKLLLQLJMDZNJY-CYBMUJFWSA-N	1	0	238.351	2.291	3	30		BEEFRO
C[N+](C)(C)CCC(=O)/C=C/c1ccccc1	ZINC000027431678	717114787	/nfs/dbraw/zinc/11/47/87/717114787.db2.gz	NGSCBXWFQYZLAQ-MDZDMXLPSA-N	1	0	218.320	2.365	1	30		BEEFRO
[NH2+]=C(CS)NC1C2CC3CC(C2)CC1C3	ZINC000001995458	181185612	/nfs/dbraw/zinc/18/56/12/181185612.db2.gz	IKVHPPJHLHMMBG-UHFFFAOYSA-N	1	0	224.373	2.308	1	30		BEEFRO
CCC[N@@H+]1C[C@@H]2COc3ccc(C#N)cc3[C@@H]2C1	ZINC000026167241	169209724	/nfs/dbraw/zinc/20/97/24/169209724.db2.gz	GDYQVHUWFCXMBW-TZMCWYRMSA-N	1	0	242.322	2.376	1	30		BEEFRO
CCCCCCCCC/C=C\[C@H](O)[C@H]([NH3+])CO	ZINC000209607960	134608757	/nfs/dbraw/zinc/60/87/57/134608757.db2.gz	VDRZDTXJMRRVMF-WQRZCLJYSA-N	1	0	243.391	2.364	1	30		BEEFRO
C(#CC[N@@H+]1[C@H]2CC[C@@H]1CCC2)CC1=NOCC1	ZINC000028872795	166225819	/nfs/dbraw/zinc/22/58/19/166225819.db2.gz	AGJHAEIJMDSYFJ-OKILXGFUSA-N	1	0	232.327	2.173	1	30		BEEFRO
C[N@@H+]1C[C@H]2CC(c3cncc(C#N)c3)=C[C@H](C2)C1	ZINC000169295003	173187993	/nfs/dbraw/zinc/18/79/93/173187993.db2.gz	SMBPQHQVCQWZFD-NWDGAFQWSA-N	1	0	239.322	2.308	1	30		BEEFRO
COc1ccccc1/C=N/O[C@@H]1CCC[N@H+](C)C1	ZINC000095587079	175315214	/nfs/dbraw/zinc/31/52/14/175315214.db2.gz	KYJDTCBDFAWZCM-QQFZQELXSA-N	1	0	248.326	2.140	1	30		BEEFRO
C[N+]1(C)CCCC[C@H]1/C=C1\CCCC1=O	ZINC000013554141	177488425	/nfs/dbraw/zinc/48/84/25/177488425.db2.gz	OOJLYSYRYPHNOI-IIANPFDCSA-N	1	0	208.325	2.295	1	30		BEEFRO
C[N+](C)(C)Cc1c2ccccc2[nH]c1CC#N	ZINC000001630271	717088554	/nfs/dbraw/zinc/08/85/54/717088554.db2.gz	GZIBZRHSQDKPLB-UHFFFAOYSA-N	1	0	228.319	2.440	1	30		BEEFRO
CC[N+]1(CC)CCN(c2cccc(C#N)c2)CC1	ZINC000653788932	717188101	/nfs/dbraw/zinc/18/81/01/717188101.db2.gz	CMDWJCATGHITPU-UHFFFAOYSA-N	1	0	244.362	2.235	1	30		BEEFRO
C[S+](C)CC(C)(C)N(Cl)Cl	ZINC000043061466	188122172	/nfs/dbraw/zinc/12/21/72/188122172.db2.gz	XKPMCCYXBYLWQV-UHFFFAOYSA-N	1	0	203.158	2.253	1	30		BEEFRO
N#Cc1coc(C2=CN3CCC2CC3)c1	ZINC000013766615	181165455	/nfs/dbraw/zinc/16/54/55/181165455.db2.gz	JKGARLBCOXRROD-UHFFFAOYSA-N	1	0	200.241	2.218	1	30		BEEFRO
CCCC[C@]1(C(=O)OCC)[C@@H](C)CC[N+]1=O	ZINC000028958409	169015122	/nfs/dbraw/zinc/01/51/22/169015122.db2.gz	WNNFLVKKZAWUGI-CMPLNLGQSA-N	1	0	227.304	2.099	1	30		BEEFRO
C=CC[N@H+]1CC[C@H]2Cc3c(O)cccc3C[C@H]21	ZINC000013826577	166359191	/nfs/dbraw/zinc/35/91/91/166359191.db2.gz	GNOHLPXINNYCLR-GXTWGEPZSA-N	1	0	229.323	2.367	1	30		BEEFRO
CC(C)(C)[N+](=O)Cc1c[nH]c(-c2ccco2)n1	ZINC000026282108	166518596	/nfs/dbraw/zinc/51/85/96/166518596.db2.gz	KVYMBBIZXIUNLU-NVNXTCNLSA-N	1	0	233.271	2.397	1	30		BEEFRO
CC1(C)[C@@H]2C[C@H]1C(/C=[NH+]\n1cnnc1)=CC2	ZINC000033410082	168009528	/nfs/dbraw/zinc/00/95/28/168009528.db2.gz	XXGDBFBBQLDWKK-RVCWJPEXSA-N	1	0	216.288	2.104	1	30		BEEFRO
C=C(C)c1ccccc1O[C@H](C)C1=[NH+]CCN1	ZINC000073313031	187533258	/nfs/dbraw/zinc/53/32/58/187533258.db2.gz	HVCWUSZDSFHZDW-LLVKDONJSA-N	1	0	230.311	2.489	1	30		BEEFRO
C=CC[N+](C)(C)c1cccc(OC(C)=O)c1	ZINC000013586872	188586194	/nfs/dbraw/zinc/58/61/94/188586194.db2.gz	QVOLLIZMUMRBBN-UHFFFAOYSA-N	1	0	220.292	2.365	1	30		BEEFRO
NC(=[NH2+])Nc1ncc(Cl)cc1-c1ccccc1	ZINC000013436548	181324697	/nfs/dbraw/zinc/32/46/97/181324697.db2.gz	MVJQALZRBJLVOJ-UHFFFAOYSA-N	1	0	246.701	2.307	1	30		BEEFRO
C=CC[N@H+]1CC[C@@H]2Cc3c(O)cccc3C[C@H]21	ZINC000013826580	166358221	/nfs/dbraw/zinc/35/82/21/166358221.db2.gz	GNOHLPXINNYCLR-TZMCWYRMSA-N	1	0	229.323	2.367	1	30		BEEFRO
C[N@H+]1C[C@H]2C=C(c3cncc(C#N)c3)C[C@H](C2)C1	ZINC000095578567	173187733	/nfs/dbraw/zinc/18/77/33/173187733.db2.gz	SMBPQHQVCQWZFD-NEPJUHHUSA-N	1	0	239.322	2.308	1	30		BEEFRO
C#C[C@H](CC)ON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780856	166218820	/nfs/dbraw/zinc/21/88/20/166218820.db2.gz	DIILXVCVGNHOQK-FRRDWIJNSA-N	1	0	220.316	2.027	1	30		BEEFRO
CC(C)(C)n1cc[n+](CC(=O)c2ccccc2)c1	ZINC000040829038	187428162	/nfs/dbraw/zinc/42/81/62/187428162.db2.gz	DEYJEOJWVSBIQU-UHFFFAOYSA-N	1	0	243.330	2.414	1	30		BEEFRO
C#Cn1cc[n+](CCCC[Si](C)(C)C)c1	ZINC000195391592	188584104	/nfs/dbraw/zinc/58/41/04/188584104.db2.gz	GMWJCQJNRHMDAN-UHFFFAOYSA-N	1	0	221.400	2.333	1	30		BEEFRO
NC(=[NH2+])NN=Cc1ccccc1-c1ccccc1	ZINC000095598695	181188624	/nfs/dbraw/zinc/18/86/24/181188624.db2.gz	PHGFZVHWQGRFHO-LICLKQGHSA-N	1	0	238.294	2.171	1	30		BEEFRO
CCCC[C@]1(C(=O)OCC)C[C@H](C)C[N+]1=O	ZINC000028958386	169014995	/nfs/dbraw/zinc/01/49/95/169014995.db2.gz	ZEHGPGQXMWHBFU-CMPLNLGQSA-N	1	0	227.304	2.099	1	30		BEEFRO
C#CC[C@H](C)ON=C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000013780865	166206405	/nfs/dbraw/zinc/20/64/05/166206405.db2.gz	BFBGBOFYCVNXOQ-WCFLWFBJSA-N	1	0	220.316	2.027	1	30		BEEFRO
C[NH+]1CCC2(CC1)OC(c1ccccc1)=CC2=O	ZINC000026274181	173003245	/nfs/dbraw/zinc/00/32/45/173003245.db2.gz	XFXRVZLQXHZEKV-UHFFFAOYSA-N	1	0	243.306	2.091	1	30		BEEFRO
C[C@@H]1CCC/C(=C/[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000013554136	176061930	/nfs/dbraw/zinc/06/19/30/176061930.db2.gz	DTYUINVVIMERIJ-JFTBMZSVSA-N	1	0	207.317	2.396	1	30		BEEFRO
C=CC[N+](C)(C)c1ccc(OC(C)=O)cc1	ZINC000013586873	717108352	/nfs/dbraw/zinc/10/83/52/717108352.db2.gz	KKQISQYDSDXJFV-UHFFFAOYSA-N	1	0	220.292	2.365	1	30		BEEFRO
C[N+]1(C)CCC[C@H]1/C=C1\CCCCC1=O	ZINC000013554139	717108519	/nfs/dbraw/zinc/10/85/19/717108519.db2.gz	QYDGJEBJULXXRZ-IIANPFDCSA-N	1	0	208.325	2.295	1	30		BEEFRO
CC(C)(C)C#C/C=C/C[NH2+]Cc1ccc(=O)[nH]c1	ZINC000029241965	187372006	/nfs/dbraw/zinc/37/20/06/187372006.db2.gz	ZQEJKHNHKFEWKM-GQCTYLIASA-N	1	0	244.338	2.483	1	30		BEEFRO
CCCCCCCC[N+](C)(C)CCO	ZINC000038158027	168655119	/nfs/dbraw/zinc/65/51/19/168655119.db2.gz	OCAPHIRVDIMADR-UHFFFAOYSA-N	1	0	202.362	2.416	1	30		BEEFRO
C=CC[N+](C)(C)Cc1cccc(OC)c1	ZINC000013586885	188162134	/nfs/dbraw/zinc/16/21/34/188162134.db2.gz	HMUFMSPOHFBFEH-UHFFFAOYSA-N	1	0	206.309	2.458	1	30		BEEFRO
C[N@H+]1C[C@H]2C=C(c3cnccc3C#N)C[C@H](C2)C1	ZINC000095578561	173188092	/nfs/dbraw/zinc/18/80/92/173188092.db2.gz	VSQMVWXIXKDVEZ-NEPJUHHUSA-N	1	0	239.322	2.308	1	30		BEEFRO
COc1cccc(/C=C/C(=O)CC[N+](C)(C)C)c1	ZINC000027438612	175239363	/nfs/dbraw/zinc/23/93/63/175239363.db2.gz	HWEPPJUYAGILTN-CMDGGOBGSA-N	1	0	248.346	2.374	1	30		BEEFRO
CN/C(=[NH+]/C)N1Cc2cccc3cccc(c32)C1	ZINC000027768352	188110295	/nfs/dbraw/zinc/11/02/95/188110295.db2.gz	NDDWQZYCAZDNEH-UHFFFAOYSA-N	1	0	239.322	2.361	1	30		BEEFRO
Fc1ccccc1/C=N/O[C@@H]1C[NH+]2CCC1CC2	ZINC000095590905	181010293	/nfs/dbraw/zinc/01/02/93/181010293.db2.gz	CGAOIVHZHYKSOV-BRYYZUPOSA-N	1	0	248.301	2.270	1	30		BEEFRO
NC(=[NH2+])N=NC1=CCc2cccc3cccc1c32	ZINC000101725102	181188445	/nfs/dbraw/zinc/18/84/45/181188445.db2.gz	BXYHEMRAMXVSJC-SFQUDFHCSA-N	1	0	236.278	2.054	1	30		BEEFRO
CCC[N@H+]1C[C@H]2c3cc(C#N)ccc3OC[C@@H]2C1	ZINC000026167246	169210946	/nfs/dbraw/zinc/21/09/46/169210946.db2.gz	GDYQVHUWFCXMBW-GXTWGEPZSA-N	1	0	242.322	2.376	1	30		BEEFRO
CN(C)/N=C1\CCCc2cc([N+](C)(C)C)ccc21	ZINC000169334199	172352800	/nfs/dbraw/zinc/35/28/00/172352800.db2.gz	UAOIDNNTSNGDHO-FOCLMDBBSA-N	1	0	246.378	2.485	1	30		BEEFRO
N#Cc1ccoc1C1=C[NH+]2CCC1CC2	ZINC000013766613	181159968	/nfs/dbraw/zinc/15/99/68/181159968.db2.gz	ZUSQEIFGHOIMSY-UHFFFAOYSA-N	1	0	200.241	2.218	1	30		BEEFRO
O=C1c2ccccc2[C@@H]2Cc3csc[n+]3[C@H]12	ZINC000095571415	182847273	/nfs/dbraw/zinc/84/72/73/182847273.db2.gz	FDZUUHMGRJLBOF-RYUDHWBXSA-N	1	0	228.296	2.113	3	30		BEEFRO
C[C@@H]1CCC/C(=C\[C@@H]2CCC[N@@H+]2C)C1=O	ZINC000013554132	176062429	/nfs/dbraw/zinc/06/24/29/176062429.db2.gz	DTYUINVVIMERIJ-ZYHQFBDJSA-N	1	0	207.317	2.396	1	30		BEEFRO
CC[N+]1(CC)CCN(c2ccc(C#N)cc2)CC1	ZINC000653788979	717188076	/nfs/dbraw/zinc/18/80/76/717188076.db2.gz	PVPVDVOXUIQZNM-UHFFFAOYSA-N	1	0	244.362	2.235	1	30		BEEFRO
Cc1cc(Cl)c(NC2=[NH+]CCN2)c(Cl)c1	ZINC000026181946	178061464	/nfs/dbraw/zinc/06/14/64/178061464.db2.gz	YGQVGNGEXWTIOK-UHFFFAOYSA-N	1	0	244.125	2.482	1	30		BEEFRO
CCCCC#Cc1cncc(OC[C@@H]2CC[NH2+]2)c1	ZINC000033996565	187372229	/nfs/dbraw/zinc/37/22/29/187372229.db2.gz	VXRANFSOUCNARC-AWEZNQCLSA-N	1	0	244.338	2.364	1	30		BEEFRO
N#Cc1ccc2ccn(-c3cc[nH+]c(N)c3)c2c1	ZINC000095601391	181133205	/nfs/dbraw/zinc/13/32/05/181133205.db2.gz	ZTOMRPCAEDOVKA-UHFFFAOYSA-N	1	0	234.262	2.479	1	30		BEEFRO
N#Cc1cccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1	ZINC000101387201	181142505	/nfs/dbraw/zinc/14/25/05/181142505.db2.gz	OGKOSOTXSHSDIP-DABQJJPHSA-N	1	0	228.295	2.220	1	30		BEEFRO
O=C(NO)c1ccc(C[NH2+]C2CCCCC2)cc1	ZINC000040915166	182280849	/nfs/dbraw/zinc/28/08/49/182280849.db2.gz	HUEHHDYODCIYJC-UHFFFAOYSA-N	1	0	248.326	2.228	1	30		BEEFRO
C[NH+]1CCC2(CC1)OC=C(c1ccccc1)C2=O	ZINC000026289988	173003252	/nfs/dbraw/zinc/00/32/52/173003252.db2.gz	NOLDRBWIZVYXBC-UHFFFAOYSA-N	1	0	243.306	2.091	1	30		BEEFRO
C[N@@H+]1C[C@H]2CC(c3cnccc3C#N)=C[C@H](C2)C1	ZINC000169295002	173188915	/nfs/dbraw/zinc/18/89/15/173188915.db2.gz	VSQMVWXIXKDVEZ-NWDGAFQWSA-N	1	0	239.322	2.308	1	30		BEEFRO
COc1ccccc1/C=N/O[C@H]1CCC[N@H+](C)C1	ZINC000095587078	175315848	/nfs/dbraw/zinc/31/58/48/175315848.db2.gz	KYJDTCBDFAWZCM-LERPTODRSA-N	1	0	248.326	2.140	1	30		BEEFRO