smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccccc1/C=[N+](\O)[C@@H]1N(C)C(=S)SC1(C)C	ZINC000142935881	398900104	/nfs/dbraw/zinc/90/01/04/398900104.db2.gz	OCOKOWAPTMOWAW-PFSWGADMSA-N	1	0	311.452	2.584	10	30		DFEERO
N/C(CC[N@H+](Cc1cccc(Br)c1)C1CC1)=N/O	ZINC000042531492	183282020	/nfs/dbraw/zinc/28/20/20/183282020.db2.gz	QWRCYUXNOMLMML-UHFFFAOYSA-N	1	0	312.211	2.550	10	30		DFEERO
C=C(Br)COc1cc2c(cc1C[C@@H](C)[NH3+])OCO2	ZINC000042878204	183316326	/nfs/dbraw/zinc/31/63/26/183316326.db2.gz	QQCWUIPSBXCZOZ-SECBINFHSA-N	1	0	314.179	2.592	10	30		DFEERO
COc1cc(Br)c(C[N+](=O)C(C)(C)C)cc1O	ZINC000066058830	184386011	/nfs/dbraw/zinc/38/60/11/184386011.db2.gz	REZROVMMZGHASO-AUWJEWJLSA-N	1	0	302.168	2.891	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2cccc(C#N)c2)C1	ZINC000616613171	399490381	/nfs/dbraw/zinc/49/03/81/399490381.db2.gz	YZXJVDXIYSCRQR-INIZCTEOSA-N	1	0	315.417	2.872	10	30		DFEERO
C[NH+](C)Cc1cn(C(=O)OC(C)(C)C)c2ncc(C#N)cc12	ZINC000095937089	426374856	/nfs/dbraw/zinc/37/48/56/426374856.db2.gz	KVVWZGJFNYOJNB-UHFFFAOYSA-N	1	0	300.362	2.753	10	30		DFEERO
C[C@H](CNC(=O)c1ncoc1[C@@H]1CCCO1)C[NH+]1CCCC1	ZINC000329288060	335959900	/nfs/dbraw/zinc/95/99/00/335959900.db2.gz	HNTUYNWLUKTCER-OLZOCXBDSA-N	1	0	307.394	2.563	10	30		DFEERO
C[C@H]1C[C@@H](C(=O)Nc2cccc(N3CCC3=O)c2)CC[N@@H+]1C	ZINC000329725180	336070833	/nfs/dbraw/zinc/07/08/33/336070833.db2.gz	ODWAUXZFKSTVGK-STQMWFEESA-N	1	0	301.390	2.742	10	30		DFEERO
N#C[C@H]1C[N@@H+](CC23CCC(CC2)C3)C[C@@]12c1ccccc1NC2=O	ZINC000333711597	336208657	/nfs/dbraw/zinc/20/86/57/336208657.db2.gz	PYARFLYHJRHZIL-HMZDGZNZSA-N	1	0	321.424	2.912	10	30		DFEERO
CCCCCCCCCC[C@@H](O)C[NH+](C[C@H](C)O)C[C@H](C)O	ZINC000584625241	337375419	/nfs/dbraw/zinc/37/54/19/337375419.db2.gz	LFPZGOJEBFIUNK-OKZBNKHCSA-N	1	0	317.514	2.942	10	30		DFEERO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261616500	337607909	/nfs/dbraw/zinc/60/79/09/337607909.db2.gz	ATWXPLNFLRCRBM-HRCADAONSA-N	1	0	318.465	2.580	10	30		DFEERO
COc1ccc([C@H]2C[C@H](NC(=[NH2+])NC3CCCC3)C2)cc1F	ZINC000261814686	337610979	/nfs/dbraw/zinc/61/09/79/337610979.db2.gz	MYMNNUKHJWIGTB-MQMHXKEQSA-N	1	0	305.397	2.927	10	30		DFEERO
CC[NH+]=C(N[C@@H]1CC1(C)C)N1CC[C@H](C)[C@H](n2ccnc2)C1	ZINC000261957150	337613235	/nfs/dbraw/zinc/61/32/35/337613235.db2.gz	JCGSIMYSMINURZ-RRFJBIMHSA-N	1	0	303.454	2.530	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NC[C@H]1CCOC2(CCC2)C1	ZINC000263096665	337624382	/nfs/dbraw/zinc/62/43/82/337624382.db2.gz	JNSACHGCWCOGID-AWEZNQCLSA-N	1	0	317.433	2.909	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@H](C)[C@H](OC)C1(C)C	ZINC000263170642	337625049	/nfs/dbraw/zinc/62/50/49/337625049.db2.gz	RISANHNHDDYCJE-GLQYFDAESA-N	1	0	305.422	2.619	10	30		DFEERO
C#CC[C@@H]([NH3+])c1cc(Cl)ccc1I	ZINC000236316002	398361731	/nfs/dbraw/zinc/36/17/31/398361731.db2.gz	UTFRAUCDAVUOTM-SNVBAGLBSA-N	1	0	305.546	2.968	10	30		DFEERO
C#C[C@]1(O)CC[C@H]2[N@@H+]3CCc4cc(OC)ccc4[C@H]3CC[C@@]21C	ZINC000004213152	181085249	/nfs/dbraw/zinc/08/52/49/181085249.db2.gz	NTHOJXSFNBUDMY-ZRNYENFQSA-N	1	0	311.425	2.921	10	30	in-man	DFEERO
C=CCNC(=O)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1Cl	ZINC000020315888	182205866	/nfs/dbraw/zinc/20/58/66/182205866.db2.gz	QPYHSVNFIWGFCC-SNVBAGLBSA-N	1	0	301.217	2.816	10	30		DFEERO
CCN(C[C@H](C)C#N)[C@@H](C[NH3+])c1ccccc1Br	ZINC000043093239	183335734	/nfs/dbraw/zinc/33/57/34/183335734.db2.gz	RTBQLNVLBGPOPV-RISCZKNCSA-N	1	0	310.239	2.930	10	30		DFEERO
Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1cccc(C#N)c1	ZINC000575555462	430084812	/nfs/dbraw/zinc/08/48/12/430084812.db2.gz	NCWONJUWADSKJC-UHFFFAOYSA-N	1	0	308.385	2.761	10	30		DFEERO
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)Cc2cc(F)cc3c2OCOC3)C1	ZINC000329033458	335934475	/nfs/dbraw/zinc/93/44/75/335934475.db2.gz	XWALJMMDKXBJKK-HUUCEWRRSA-N	1	0	322.380	2.674	10	30		DFEERO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@@H](C)N2CCCCC2=O)C1	ZINC000329943855	336097991	/nfs/dbraw/zinc/09/79/91/336097991.db2.gz	WKWXALFDGYYVQZ-HZPDHXFCSA-N	1	0	323.481	2.854	10	30		DFEERO
O=C(NCC1CC[NH+](C2CC2)CC1)c1ncoc1[C@@H]1CCCO1	ZINC000329974802	336101949	/nfs/dbraw/zinc/10/19/49/336101949.db2.gz	ZIUVUXVDPHDNQI-AWEZNQCLSA-N	1	0	319.405	2.705	10	30		DFEERO
O=C(NCCC1CCOCC1)NC1CC[NH+](C2CCCC2)CC1	ZINC000330098557	336113425	/nfs/dbraw/zinc/11/34/25/336113425.db2.gz	CAWLQOCOMCCKAF-UHFFFAOYSA-N	1	0	323.481	2.714	10	30		DFEERO
N#Cc1ccc2ncnc(N[C@H]3CC[C@H]([NH2+]C4CC4)CC3)c2c1	ZINC000584639879	337379849	/nfs/dbraw/zinc/37/98/49/337379849.db2.gz	JPCFGWNCJTXPIJ-SHTZXODSSA-N	1	0	307.401	2.977	10	30		DFEERO
C[NH+]=C(NCCc1sc(C)nc1C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261654732	337607462	/nfs/dbraw/zinc/60/74/62/337607462.db2.gz	FJKWTWLWKLMPTG-GJZGRUSLSA-N	1	0	320.506	3.000	10	30		DFEERO
[NH2+]=C(NCc1cc(F)cc2c1OCOC2)NC1CCCCCC1	ZINC000262018712	337614361	/nfs/dbraw/zinc/61/43/61/337614361.db2.gz	XCSGVAJDZDEZCO-UHFFFAOYSA-N	1	0	321.396	2.819	10	30		DFEERO
C[NH+]=C(NCc1csc(Br)c1)NCC1CCC1	ZINC000262948404	337622572	/nfs/dbraw/zinc/62/25/72/337622572.db2.gz	OKFKVNZGOPWQIO-UHFFFAOYSA-N	1	0	316.268	2.976	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N[C@H](C)C(C)C	ZINC000263275874	337626020	/nfs/dbraw/zinc/62/60/20/337626020.db2.gz	YLJXYIGTGHIUQA-GFCCVEGCSA-N	1	0	323.412	2.792	10	30		DFEERO
N#CCCN([C@@H](C[NH3+])c1cccc(Br)c1)C1CC1	ZINC000043021816	183329756	/nfs/dbraw/zinc/32/97/56/183329756.db2.gz	BDSJDTPEPYGWSU-AWEZNQCLSA-N	1	0	308.223	2.827	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C[C@@H](C)C#N	ZINC000043093273	183336444	/nfs/dbraw/zinc/33/64/44/183336444.db2.gz	VIYTYJDOKQTWJW-MISXGVKJSA-N	1	0	310.239	2.929	10	30		DFEERO
COc1ccccc1/C=[N+](\O)[C@@H]1SC(=S)N(C)C1(C)C	ZINC000146180732	426258608	/nfs/dbraw/zinc/25/86/08/426258608.db2.gz	RUBSBXOFTBLGDG-DZZSIBQASA-N	1	0	311.452	2.584	10	30		DFEERO
CC(C)(C)c1ccc(OC(=O)C2CCN(C=[NH+]N)CC2)cc1	ZINC000255003966	427232723	/nfs/dbraw/zinc/23/27/23/427232723.db2.gz	HTXXRDJANHPKDM-UHFFFAOYSA-N	1	0	303.406	2.504	10	30		DFEERO
O=C(NCC1CC[NH+](C2CC2)CC1)c1ncoc1[C@H]1CCCO1	ZINC000329974803	336101924	/nfs/dbraw/zinc/10/19/24/336101924.db2.gz	ZIUVUXVDPHDNQI-CQSZACIVSA-N	1	0	319.405	2.705	10	30		DFEERO
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCCc2c(O)cccc21	ZINC000330108371	336114123	/nfs/dbraw/zinc/11/41/23/336114123.db2.gz	NOTAWXOMVOZJHC-MLGOLLRUSA-N	1	0	315.417	2.510	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc(F)c1)N1CC[C@]2(CCOC2)C1	ZINC000179198669	337168154	/nfs/dbraw/zinc/16/81/54/337168154.db2.gz	ZFYCOFZAFTXBIU-KRWDZBQOSA-N	1	0	323.387	2.543	10	30		DFEERO
C[NH+]=C(NCc1ccc(C)s1)NCc1nnc(C(C)C)s1	ZINC000261776799	337610242	/nfs/dbraw/zinc/61/02/42/337610242.db2.gz	OSHWUCGILKXHFH-UHFFFAOYSA-N	1	0	323.491	2.897	10	30		DFEERO
C[NH+]=C(NCC1CCSCC1)N(C)Cc1csc(C)n1	ZINC000261862910	337611769	/nfs/dbraw/zinc/61/17/69/337611769.db2.gz	YRTUFPRBQPDWSA-UHFFFAOYSA-N	1	0	312.508	2.602	10	30		DFEERO
C[NH+]=C(NCc1sc(C)nc1C)N(C)Cc1csc(C)n1	ZINC000261871089	337611918	/nfs/dbraw/zinc/61/19/18/337611918.db2.gz	ZRPSSNAJSMCSTR-UHFFFAOYSA-N	1	0	323.491	2.732	10	30		DFEERO
CC[NH+]=C(NCCC1CCOCC1)N1CCS[C@H](CC)C1	ZINC000261985165	337613776	/nfs/dbraw/zinc/61/37/76/337613776.db2.gz	RWIFECMMCYCQRI-OAHLLOKOSA-N	1	0	313.511	2.596	10	30		DFEERO
C[C@H](CNC(=[NH2+])N[C@H]1CCOc2ccccc21)C(F)(F)F	ZINC000262560272	337619274	/nfs/dbraw/zinc/61/92/74/337619274.db2.gz	WBLZLWQNLMRSAO-KOLCDFICSA-N	1	0	301.312	2.613	10	30		DFEERO
CN1CCC[NH+]=C1NCc1c(F)cc(Br)cc1F	ZINC000263191588	337625375	/nfs/dbraw/zinc/62/53/75/337625375.db2.gz	VTWGJRFXBUDAGA-UHFFFAOYSA-N	1	0	318.165	2.508	10	30		DFEERO
C#CC[C@@H]([NH3+])c1nc2cccc(C)c2c(=O)n1-c1ccccc1	ZINC000113649542	398740721	/nfs/dbraw/zinc/74/07/21/398740721.db2.gz	CKMVNSMILBEBSA-OAHLLOKOSA-N	1	0	303.365	2.717	10	30		DFEERO
C#CC[C@@H]([NH3+])c1ncc(Br)cc1Br	ZINC000133290841	398860845	/nfs/dbraw/zinc/86/08/45/398860845.db2.gz	BBYWAODWELKLIU-MRVPVSSYSA-N	1	0	303.985	2.630	10	30		DFEERO
CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC#N)CC#N	ZINC000042952546	183320724	/nfs/dbraw/zinc/32/07/24/183320724.db2.gz	CMWZKQBWYRFTFA-KGLIPLIRSA-N	1	0	321.222	2.577	10	30		DFEERO
CC[C@@H]([NH3+])[C@H](c1ccccc1Br)N(CC#N)CC#N	ZINC000043090981	183336122	/nfs/dbraw/zinc/33/61/22/183336122.db2.gz	VGWPJDVUPOQCRF-KGLIPLIRSA-N	1	0	321.222	2.577	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2cccc(C#N)c2)C1	ZINC000616628112	399491339	/nfs/dbraw/zinc/49/13/39/399491339.db2.gz	YZXJVDXIYSCRQR-MRXNPFEDSA-N	1	0	315.417	2.872	10	30		DFEERO
COc1ccccc1/C=[N+](\O)[C@H]1SC(=S)N(C)C1(C)C	ZINC000146181123	426258670	/nfs/dbraw/zinc/25/86/70/426258670.db2.gz	RUBSBXOFTBLGDG-PFSWGADMSA-N	1	0	311.452	2.584	10	30		DFEERO
COc1cc(CC[NH2+]Cc2ccccc2O)c(OC)cc1C#N	ZINC000098210306	426480438	/nfs/dbraw/zinc/48/04/38/426480438.db2.gz	VWEDZTZAXHMZIL-UHFFFAOYSA-N	1	0	312.369	2.613	10	30	in-vitro	DFEERO
CC[NH+]=C(NCc1c(C)noc1C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000156095543	332461197	/nfs/dbraw/zinc/46/11/97/332461197.db2.gz	IUMNFRWIBDVRIH-GJZGRUSLSA-N	1	0	304.438	2.879	10	30		DFEERO
O=C(Nc1cnn(C(F)F)c1)[C@H]1CCC[N@@H+]1C1CCOCC1	ZINC000329763011	336079094	/nfs/dbraw/zinc/07/90/94/336079094.db2.gz	TZRUPAOZZZQTKU-GFCCVEGCSA-N	1	0	314.336	2.510	10	30		DFEERO
Cc1nnc(-c2ccccc2C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)o1	ZINC000329855121	336089498	/nfs/dbraw/zinc/08/94/98/336089498.db2.gz	XBAFMUIZNFFGMA-OLZOCXBDSA-N	1	0	314.389	2.832	10	30		DFEERO
CCC[NH+]1CCC(NC(=O)C[C@H](C)N2CCCCC2=O)CC1	ZINC000329913378	336094774	/nfs/dbraw/zinc/09/47/74/336094774.db2.gz	BSFZJZBPIRAELF-AWEZNQCLSA-N	1	0	309.454	2.608	10	30		DFEERO
C[NH+]=C(NCC1CCCC1)N[C@@H]1CCc2cn(C(C)C)nc2C1	ZINC000261986504	337613748	/nfs/dbraw/zinc/61/37/48/337613748.db2.gz	QFAVNYUGBNRVOE-MRXNPFEDSA-N	1	0	317.481	2.677	10	30		DFEERO
CC[C@@H]([NH3+])Cc1cc(Br)c(OCC#N)c(OC)c1	ZINC000037725057	190665107	/nfs/dbraw/zinc/66/51/07/190665107.db2.gz	SJUITZWFWGKXNW-SNVBAGLBSA-N	1	0	313.195	2.640	10	30		DFEERO
COC[C@@H](c1ccc(C#N)cc1)N(C)CC(=O)OC(C)(C)C	ZINC000113562448	398739895	/nfs/dbraw/zinc/73/98/95/398739895.db2.gz	WQUMKKZGTBTZHO-HNNXBMFYSA-N	1	0	304.390	2.519	10	30		DFEERO
CC(=NO)[C@H]1C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1(C)C	ZINC000606445791	399072107	/nfs/dbraw/zinc/07/21/07/399072107.db2.gz	LIXAEYWZSVAANR-ZIAGYGMSSA-N	1	0	311.470	2.735	10	30		DFEERO
CC[N@@H+](Cc1ccc(Br)s1)C[C@H](C)/C(N)=N/O	ZINC000042445100	183271217	/nfs/dbraw/zinc/27/12/17/183271217.db2.gz	KEFPIMXBIYSQHZ-QMMMGPOBSA-N	1	0	320.256	2.715	10	30		DFEERO
N#CCCN([C@H](C[NH3+])c1cccc(Br)c1)C1CC1	ZINC000043021815	183329866	/nfs/dbraw/zinc/32/98/66/183329866.db2.gz	BDSJDTPEPYGWSU-CQSZACIVSA-N	1	0	308.223	2.827	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccc(C#N)cc2)C1	ZINC000616622947	399490921	/nfs/dbraw/zinc/49/09/21/399490921.db2.gz	ANFSKPLLXWHJRX-MRXNPFEDSA-N	1	0	315.417	2.872	10	30		DFEERO
C=CCC(=O)N(CCc1ccccc1)CC1CC[NH+](C)CC1	ZINC000012075184	257263531	/nfs/dbraw/zinc/26/35/31/257263531.db2.gz	DTQZIFGQTGGKLN-UHFFFAOYSA-N	1	0	300.446	2.976	10	30		DFEERO
C=CCOc1cc(Cl)ccc1C(=O)NCC[NH+](CC)CC	ZINC000001843032	425586723	/nfs/dbraw/zinc/58/67/23/425586723.db2.gz	UHWFVIPXDFZTFA-UHFFFAOYSA-N	1	0	310.825	2.976	10	30	in-man	DFEERO
CC1(C)CN(c2cccc(Br)c2C#N)CC[C@@H]1[NH3+]	ZINC000261555927	273585496	/nfs/dbraw/zinc/58/54/96/273585496.db2.gz	BSNQWBCNMCDMHC-ZDUSSCGKSA-N	1	0	308.223	2.884	10	30		DFEERO
C[NH+]=C(NCc1cc(F)ccc1F)N(C)Cc1csc(C)n1	ZINC000155671853	332452565	/nfs/dbraw/zinc/45/25/65/332452565.db2.gz	HRAVUNKBOHEDCH-UHFFFAOYSA-N	1	0	324.400	2.937	10	30		DFEERO
C[NH+]=C(NCC1(CCOC)CCC1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000156084123	332461640	/nfs/dbraw/zinc/46/16/40/332461640.db2.gz	SOHGCYYFEXZZTE-HOTGVXAUSA-N	1	0	307.482	2.891	10	30		DFEERO
C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCc2cnn(C)c2C1	ZINC000328772336	334753361	/nfs/dbraw/zinc/75/33/61/334753361.db2.gz	HCNNOPXKRVSDHU-CABCVRRESA-N	1	0	318.465	2.746	10	30		DFEERO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NC[C@H]2CCOc3ccccc32)C1	ZINC000328989571	334771518	/nfs/dbraw/zinc/77/15/18/334771518.db2.gz	HXWMGPPPIZGTSQ-QLFBSQMISA-N	1	0	317.433	2.539	10	30		DFEERO
N#C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)C[C@@]12c1ccccc1NC2=O	ZINC000333711600	336208680	/nfs/dbraw/zinc/20/86/80/336208680.db2.gz	PYARFLYHJRHZIL-WQZMYJITSA-N	1	0	321.424	2.912	10	30		DFEERO
C[NH+]=C(NCc1ccnc(C)n1)N1CCC2(C1)CCCCC2	ZINC000176398381	337151126	/nfs/dbraw/zinc/15/11/26/337151126.db2.gz	GSPCATLXTBUOGZ-UHFFFAOYSA-N	1	0	301.438	2.517	10	30		DFEERO
C[NH+](C)C[C@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000584602260	337371090	/nfs/dbraw/zinc/37/10/90/337371090.db2.gz	LSUAQOJEEKKGRB-RXMQYKEDSA-N	1	0	321.183	2.767	10	30		DFEERO
CC[C@H](CC[NH+](CC)CC)NC1=CC(=O)C(=O)c2ccccc21	ZINC000584614534	337372654	/nfs/dbraw/zinc/37/26/54/337372654.db2.gz	BHBNAVVHQCXGSD-CQSZACIVSA-N	1	0	314.429	2.893	10	30		DFEERO
CC(C)(C)OC(=O)NCC[NH2+]C[C@H]1CCc2cc(C#N)ccc21	ZINC000584645335	337380330	/nfs/dbraw/zinc/38/03/30/337380330.db2.gz	FMMACDSDHUOUIZ-OAHLLOKOSA-N	1	0	315.417	2.702	10	30		DFEERO
[NH2+]=C(NC[C@H]1CCCC[C@H]1C(F)(F)F)N1CCSCC1	ZINC000262302537	337616662	/nfs/dbraw/zinc/61/66/62/337616662.db2.gz	LFEUCFNPACFNDF-GHMZBOCLSA-N	1	0	309.401	2.719	10	30		DFEERO
COc1ccc(NC(=[NH2+])NCCc2cc(C)no2)cc1Cl	ZINC000262631200	337619958	/nfs/dbraw/zinc/61/99/58/337619958.db2.gz	FTXVDLORHXHSMX-UHFFFAOYSA-N	1	0	308.769	2.614	10	30		DFEERO
COc1cccc(OC(F)(F)F)c1C[NH+]=C(N(C)C)N(C)C	ZINC000262656898	337620277	/nfs/dbraw/zinc/62/02/77/337620277.db2.gz	LVBBQYQBRUNWKO-UHFFFAOYSA-N	1	0	319.327	2.573	10	30		DFEERO
C[NH+]=C(NCc1csc2ccccc12)NC[C@@H]1CCOC1	ZINC000262850705	337622001	/nfs/dbraw/zinc/62/20/01/337622001.db2.gz	WUFRJCFKJDCNMC-LBPRGKRZSA-N	1	0	303.431	2.603	10	30		DFEERO
CC(C)[N@H+](CC/C(N)=N/O)Cc1ccc(Br)s1	ZINC000042529012	183280973	/nfs/dbraw/zinc/28/09/73/183280973.db2.gz	URMVYKJZEAOUDN-UHFFFAOYSA-N	1	0	320.256	2.858	10	30		DFEERO
CCN(C[C@H](C)C#N)[C@@H](C[NH3+])c1cccc(Br)c1	ZINC000043021665	183330105	/nfs/dbraw/zinc/33/01/05/183330105.db2.gz	ZWXRFINCUCGGTC-RISCZKNCSA-N	1	0	310.239	2.930	10	30		DFEERO
N#Cc1cccc(C[NH+]2CCC([C@@H](O)c3ccccn3)CC2)c1	ZINC000065288609	184323316	/nfs/dbraw/zinc/32/33/16/184323316.db2.gz	BADJWZMGTYZDLV-LJQANCHMSA-N	1	0	307.397	2.899	10	30		DFEERO
C=CC[N@@H+](C[C@@H](C)O)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000248341480	426990330	/nfs/dbraw/zinc/99/03/30/426990330.db2.gz	ZGJVNCWXLWTILY-IUODEOHRSA-N	1	0	308.809	2.702	10	30		DFEERO
[NH2+]=C(NCc1ccc([N+](=O)[O-])cc1Cl)NC1CCCCC1	ZINC000184821775	335090161	/nfs/dbraw/zinc/09/01/61/335090161.db2.gz	FMFCBDOESXBBQC-UHFFFAOYSA-N	1	0	310.785	2.985	10	30		DFEERO
[NH2+]=C(NC[C@@H](O)c1ccc(Cl)s1)N1CCCCCC1	ZINC000126101359	334839337	/nfs/dbraw/zinc/83/93/37/334839337.db2.gz	IYSFXLWSIJJQIG-SNVBAGLBSA-N	1	0	301.843	2.626	10	30		DFEERO
Cc1c(C(=O)N[C@@H]2CC[C@H]([NH+](C)C)C2)nnn1CC1CCCC1	ZINC000329906348	336094152	/nfs/dbraw/zinc/09/41/52/336094152.db2.gz	SDOKRCGFLQVQDV-CABCVRRESA-N	1	0	319.453	2.564	10	30		DFEERO
CC1CC[NH+](C2CCC(NC(=O)C3(O)CCOCC3)CC2)CC1	ZINC000330095000	336113156	/nfs/dbraw/zinc/11/31/56/336113156.db2.gz	USHDPNRFSSYOAU-UHFFFAOYSA-N	1	0	324.465	2.528	10	30		DFEERO
C=CC[NH+](CC=C)[C@@H]1C[C@@H](OCc2ccc(OC)cc2)C[C@@H]1O	ZINC000584603378	337371210	/nfs/dbraw/zinc/37/12/10/337371210.db2.gz	RMCMXHNMOXLSHF-QRVBRYPASA-N	1	0	317.429	2.778	10	30		DFEERO
C[NH+]=C(NCc1cn2ccccc2n1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261630443	337606892	/nfs/dbraw/zinc/60/68/92/337606892.db2.gz	CIBRDHQPBVRTOF-GASCZTMLSA-N	1	0	311.433	2.532	10	30		DFEERO
C[NH+]=C(NCc1cccs1)NCc1nnc(C(C)C)s1	ZINC000261689985	337608638	/nfs/dbraw/zinc/60/86/38/337608638.db2.gz	DYWSSXAZYCAEPF-UHFFFAOYSA-N	1	0	309.464	2.588	10	30		DFEERO
CC[NH+]=C(N[C@@H]1CC1(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1	ZINC000262013296	337614283	/nfs/dbraw/zinc/61/42/83/337614283.db2.gz	XCMRQRJFGXJSCI-GDBMZVCRSA-N	1	0	317.481	2.675	10	30		DFEERO
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)N[C@@H]1CC1(C)C	ZINC000262501424	337618667	/nfs/dbraw/zinc/61/86/67/337618667.db2.gz	YMGQZTWUCOAZRY-GXSJLCMTSA-N	1	0	315.870	2.789	10	30		DFEERO
CCCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccnc1	ZINC000225404308	398348081	/nfs/dbraw/zinc/34/80/81/398348081.db2.gz	QVDFZVRHAJDBAV-GFCCVEGCSA-N	1	0	310.468	2.751	10	30		DFEERO
Cc1ncc2c(c1-c1noc(-c3cccc(C#N)c3)n1)CC[NH2+]C2	ZINC000020351315	182210457	/nfs/dbraw/zinc/21/04/57/182210457.db2.gz	JADFSDMKFOEBMA-UHFFFAOYSA-N	1	0	317.352	2.624	10	30		DFEERO
CC[C@H]([NH3+])[C@H](c1ccccc1Br)N(CC#N)CC#N	ZINC000043090979	183335740	/nfs/dbraw/zinc/33/57/40/183335740.db2.gz	VGWPJDVUPOQCRF-KBPBESRZSA-N	1	0	321.222	2.577	10	30		DFEERO
N#Cc1ccc(CNC(=[NH2+])N[C@@H]2CCOc3ccccc32)s1	ZINC000263161687	268051428	/nfs/dbraw/zinc/05/14/28/268051428.db2.gz	QRXFNJRCNIBZSK-CQSZACIVSA-N	1	0	312.398	2.548	10	30		DFEERO
CC[C@H](C)c1ccc(NC(=[NH2+])NCC(=O)N2CCCC2)cc1	ZINC000263274856	427451951	/nfs/dbraw/zinc/45/19/51/427451951.db2.gz	YCCZHZUDZAVJAH-ZDUSSCGKSA-N	1	0	302.422	2.549	10	30		DFEERO
CC(C)C[NH+]1CCC(NC(=O)C[C@@H](C)N2CCCCC2=O)CC1	ZINC000328716829	334750585	/nfs/dbraw/zinc/75/05/85/334750585.db2.gz	UFLVJKIRCFYDTL-OAHLLOKOSA-N	1	0	323.481	2.854	10	30		DFEERO
C[C@H](CC(=O)NCC[NH+]1CCCCCC1)N1CCCCC1=O	ZINC000329946804	336098327	/nfs/dbraw/zinc/09/83/27/336098327.db2.gz	GQARVDCMAWEWCD-OAHLLOKOSA-N	1	0	309.454	2.610	10	30		DFEERO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1	ZINC000333618988	336207377	/nfs/dbraw/zinc/20/73/77/336207377.db2.gz	IEDDNVLXCKALKG-JKQORVJESA-N	1	0	302.422	2.539	10	30		DFEERO
CCc1nc(CNC(=[NH+]C)N2C[C@@H]3CCCC[C@H]3C2)cs1	ZINC000261872046	337611989	/nfs/dbraw/zinc/61/19/89/337611989.db2.gz	ZTFLBUHXTLJUKM-STQMWFEESA-N	1	0	306.479	2.903	10	30		DFEERO
COc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@H]23)cc1Cl	ZINC000262822038	337621729	/nfs/dbraw/zinc/62/17/29/337621729.db2.gz	PVSQFGLEJMJJDH-QKCSRTOESA-N	1	0	309.797	2.643	10	30		DFEERO
C=C(Br)CNc1c(N)c[nH+]cc1Br	ZINC000236371726	398361589	/nfs/dbraw/zinc/36/15/89/398361589.db2.gz	PWTBRKORADIZAZ-UHFFFAOYSA-N	1	0	306.989	2.747	10	30		DFEERO
CNC(=[NH2+])Nc1c(Br)cc(C)cc1Br	ZINC000052069087	398831442	/nfs/dbraw/zinc/83/14/42/398831442.db2.gz	BGBYRZDAQUZFQZ-UHFFFAOYSA-N	1	0	321.016	2.686	10	30		DFEERO
CC(=NO)[C@@H]1C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1(C)C	ZINC000606445790	399071495	/nfs/dbraw/zinc/07/14/95/399071495.db2.gz	LIXAEYWZSVAANR-UONOGXRCSA-N	1	0	311.470	2.735	10	30		DFEERO
C=C(Br)COc1cc2c(cc1C[C@H](C)[NH3+])OCO2	ZINC000042878200	183316078	/nfs/dbraw/zinc/31/60/78/183316078.db2.gz	QQCWUIPSBXCZOZ-VIFPVBQESA-N	1	0	314.179	2.592	10	30		DFEERO
CC[C@@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC#N)CC#N	ZINC000042952539	183320730	/nfs/dbraw/zinc/32/07/30/183320730.db2.gz	CMWZKQBWYRFTFA-ZIAGYGMSSA-N	1	0	321.222	2.577	10	30		DFEERO
CCCCCCC[C@@H](C)[NH2+]CCCN(CC)S(C)(=O)=O	ZINC000103364795	256575307	/nfs/dbraw/zinc/57/53/07/256575307.db2.gz	NPRZENKKTFCUHF-OAHLLOKOSA-N	1	0	306.516	2.997	10	30		DFEERO
CC(C)(C)OC(=O)N1C[C@H](C=O)[C@@H](c2[nH+]ccc3[nH]ccc32)C1	ZINC000089220760	426283536	/nfs/dbraw/zinc/28/35/36/426283536.db2.gz	FQFVAIHJKVMBEF-YPMHNXCESA-N	1	0	315.373	2.712	10	30		DFEERO
CC1(C)CN(c2ccc(C#N)cc2Br)CC[C@H]1[NH3+]	ZINC000261578963	273585145	/nfs/dbraw/zinc/58/51/45/273585145.db2.gz	PFVUWCMJJRKXCR-CYBMUJFWSA-N	1	0	308.223	2.884	10	30		DFEERO
Cc1c[nH+]c(C)n1C[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1	ZINC000575556914	430084782	/nfs/dbraw/zinc/08/47/82/430084782.db2.gz	DVNVGVQCKPCRJN-INIZCTEOSA-N	1	0	308.385	2.534	10	30		DFEERO
C[NH+]=C(NCc1cc(C)no1)N1CC=C(c2ccccc2)CC1	ZINC000073699130	334894586	/nfs/dbraw/zinc/89/45/86/334894586.db2.gz	DLNXXMIMQIGQLH-UHFFFAOYSA-N	1	0	310.401	2.848	10	30		DFEERO
CC[NH+]1CCC(CCNC(=O)c2ncoc2[C@@H]2CCCO2)CC1	ZINC000329677363	336037580	/nfs/dbraw/zinc/03/75/80/336037580.db2.gz	VCYAAAAFWLQLDP-AWEZNQCLSA-N	1	0	321.421	2.953	10	30		DFEERO
CCc1nn(C)cc1NC(=O)N[C@@H](C)C[NH+]1CCCCCC1	ZINC000330122944	336115720	/nfs/dbraw/zinc/11/57/20/336115720.db2.gz	BYZANOHJBALSGQ-ZDUSSCGKSA-N	1	0	307.442	2.573	10	30		DFEERO
CCc1cnc(CNC(=[NH+]C)N2C[C@@H]3CCCC[C@@H]3C2)s1	ZINC000261630500	337606888	/nfs/dbraw/zinc/60/68/88/337606888.db2.gz	CJHYSJWUUJVUFC-BETUJISGSA-N	1	0	306.479	2.903	10	30		DFEERO
C[NH+]=C(NCCc1csc(C)n1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261615372	337607901	/nfs/dbraw/zinc/60/79/01/337607901.db2.gz	ARUBVZBSZHOKKX-OKILXGFUSA-N	1	0	306.479	2.691	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@](C)(OC)C1(C)C	ZINC000262429656	337617691	/nfs/dbraw/zinc/61/76/91/337617691.db2.gz	SDZAJIVANMMWEG-YOEHRIQHSA-N	1	0	305.422	2.763	10	30		DFEERO
C[NH+]=C(NCCC1CCOCC1)N[C@@H]1CCC[C@@H](SC)C1	ZINC000262790785	337621246	/nfs/dbraw/zinc/62/12/46/337621246.db2.gz	NUARPNVQIJPVLQ-HUUCEWRRSA-N	1	0	313.511	2.642	10	30		DFEERO
[NH2+]=C(Nc1ccccc1OC(F)(F)F)N[C@H]1C[C@@H]1C(F)F	ZINC000262824459	337621665	/nfs/dbraw/zinc/62/16/65/337621665.db2.gz	QCEFTRMLTJZGDY-XPUUQOCRSA-N	1	0	309.238	2.965	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NC[C@@H]1CCOC2(CCC2)C1	ZINC000263096668	337624390	/nfs/dbraw/zinc/62/43/90/337624390.db2.gz	JNSACHGCWCOGID-CQSZACIVSA-N	1	0	317.433	2.909	10	30		DFEERO
C=CCN1C(=S)SC(C)(C)[C@H]1/[N+](O)=C/c1cccnc1	ZINC000225408033	398348258	/nfs/dbraw/zinc/34/82/58/398348258.db2.gz	OCRVTUZANJVVTM-GFCCVEGCSA-N	1	0	308.452	2.527	10	30		DFEERO
N#Cc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccccn4)C3)nc2c1	ZINC000035446859	425844202	/nfs/dbraw/zinc/84/42/02/425844202.db2.gz	MLFZNJFBVZFCTJ-AWEZNQCLSA-N	1	0	303.369	2.819	10	30		DFEERO
C=C(C)C[NH+]1CCC(NC(=O)C[C@H](C)N2CCCCC2=O)CC1	ZINC000328764048	334752866	/nfs/dbraw/zinc/75/28/66/334752866.db2.gz	OPCUDNIKYVNDJD-HNNXBMFYSA-N	1	0	321.465	2.775	10	30		DFEERO
CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCC(=O)NC2(C)C)CC1	ZINC000328733418	334754245	/nfs/dbraw/zinc/75/42/45/334754245.db2.gz	HTTRRPLAOVMHOZ-ZDUSSCGKSA-N	1	0	324.469	2.650	10	30		DFEERO
C[C@@H](CC(=O)NC1CCC(C[NH+](C)C)CC1)N1CCCCC1=O	ZINC000328732091	334754257	/nfs/dbraw/zinc/75/42/57/334754257.db2.gz	GXZZOLKIMKPZSU-FHERZECASA-N	1	0	323.481	2.854	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N[C@@H](C)CC	ZINC000171603148	337088330	/nfs/dbraw/zinc/08/83/30/337088330.db2.gz	KEAMDDQZWUUTTN-NSHDSACASA-N	1	0	309.385	2.546	10	30		DFEERO
CCCCCCCCCC[C@H](O)C[NH+](C[C@H](C)O)C[C@H](C)O	ZINC000584625240	337375517	/nfs/dbraw/zinc/37/55/17/337375517.db2.gz	LFPZGOJEBFIUNK-BZSNNMDCSA-N	1	0	317.514	2.942	10	30		DFEERO
C[NH+]=C(NCc1sc(C)nc1C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261725501	337609271	/nfs/dbraw/zinc/60/92/71/337609271.db2.gz	LDAADNSBLQHLRR-OKILXGFUSA-N	1	0	306.479	2.957	10	30		DFEERO
C=CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])c1nc2c(s1)CCCC2	ZINC000261930784	337612715	/nfs/dbraw/zinc/61/27/15/337612715.db2.gz	BHGNMNXPUCMLQX-CHWSQXEVSA-N	1	0	319.474	2.916	10	30		DFEERO
C[C@@H]1CN(C(=[NH2+])NCc2cc(Cl)sc2Cl)CCO1	ZINC000262427163	337617528	/nfs/dbraw/zinc/61/75/28/337617528.db2.gz	CYQJIXNCAZYJNV-SSDOTTSWSA-N	1	0	308.234	2.590	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@](C)(OC)C1(C)C	ZINC000262429651	337617650	/nfs/dbraw/zinc/61/76/50/337617650.db2.gz	SDZAJIVANMMWEG-PBHICJAKSA-N	1	0	305.422	2.763	10	30		DFEERO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(O)cc21	ZINC000004215479	560197458	/nfs/dbraw/zinc/19/74/58/560197458.db2.gz	VJFMSYZSFUWQPZ-WXPXUSHHSA-N	1	0	310.397	2.870	10	30	in-vitro	DFEERO
CC(=NO)[C@H]1C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1(C)C	ZINC000606445789	399072587	/nfs/dbraw/zinc/07/25/87/399072587.db2.gz	LIXAEYWZSVAANR-KGLIPLIRSA-N	1	0	311.470	2.735	10	30		DFEERO
CC[N@@H+](Cc1ccc(Br)s1)C[C@@H](C)/C(N)=N/O	ZINC000042445098	183270860	/nfs/dbraw/zinc/27/08/60/183270860.db2.gz	KEFPIMXBIYSQHZ-MRVPVSSYSA-N	1	0	320.256	2.715	10	30		DFEERO
CC[C@H]([NH3+])[C@@H](c1ccccc1Br)N(CC#N)CC#N	ZINC000043090973	183335516	/nfs/dbraw/zinc/33/55/16/183335516.db2.gz	VGWPJDVUPOQCRF-UONOGXRCSA-N	1	0	321.222	2.577	10	30		DFEERO
N#Cc1ccccc1CN1Cc2ccnn2C[C@@H](OCC2CC2)C1	ZINC000247654410	257117859	/nfs/dbraw/zinc/11/78/59/257117859.db2.gz	ONGBSZYSHZFZGP-IBGZPJMESA-N	1	0	322.412	2.566	10	30		DFEERO
C[NH+]1CCN(C=Nc2sc3c(c2C#N)CCCCC3)CC1	ZINC000254698830	427222467	/nfs/dbraw/zinc/22/24/67/427222467.db2.gz	FCMGAQVDVZZVMS-UHFFFAOYSA-N	1	0	302.447	2.796	10	30		DFEERO
C[C@H]1CCN(c2ccc(C#N)cc2Br)[C@@H](C[NH3+])C1	ZINC000235674774	278370018	/nfs/dbraw/zinc/37/00/18/278370018.db2.gz	ALIDNVHFMBHBKN-CMPLNLGQSA-N	1	0	308.223	2.884	10	30		DFEERO
[NH2+]=C(NC[C@H]1CCC[C@@H](CO)C1)Nc1ccc2c(c1)CCC2	ZINC000262296436	333853820	/nfs/dbraw/zinc/85/38/20/333853820.db2.gz	JEKITCRQPAFANT-UONOGXRCSA-N	1	0	301.434	2.701	10	30		DFEERO
O=C(NC1CC[NH+](CC2CC2)CC1)c1ncoc1[C@H]1CCCO1	ZINC000329296029	335960948	/nfs/dbraw/zinc/96/09/48/335960948.db2.gz	KHKHDHZDPVKWHX-CQSZACIVSA-N	1	0	319.405	2.705	10	30		DFEERO
N#C[C@H]1C[N@@H+](CC23CCC(CC2)C3)C[C@]12c1ccccc1NC2=O	ZINC000333711599	336208660	/nfs/dbraw/zinc/20/86/60/336208660.db2.gz	PYARFLYHJRHZIL-VDOJBYNZSA-N	1	0	321.424	2.912	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc(F)c1)N1CC[C@@]2(CCOC2)C1	ZINC000179198682	337168134	/nfs/dbraw/zinc/16/81/34/337168134.db2.gz	ZFYCOFZAFTXBIU-QGZVFWFLSA-N	1	0	323.387	2.543	10	30		DFEERO
C[NH+]=C(NCCc1ccsc1)N(C)Cc1csc(C)n1	ZINC000261842512	337611505	/nfs/dbraw/zinc/61/15/05/337611505.db2.gz	WMAPDKLNHSDAOS-UHFFFAOYSA-N	1	0	308.476	2.763	10	30		DFEERO
C[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC1CCCCC1	ZINC000262429919	337617687	/nfs/dbraw/zinc/61/76/87/337617687.db2.gz	DRMGOSBMUPSXAB-NSHDSACASA-N	1	0	315.870	2.933	10	30		DFEERO
C=C(Br)COc1c(CC[NH3+])cccc1OCC	ZINC000037721831	182920078	/nfs/dbraw/zinc/92/00/78/182920078.db2.gz	CECKCKVHXNKDPZ-UHFFFAOYSA-N	1	0	300.196	2.874	10	30		DFEERO
CC[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC#N)CC#N	ZINC000043020157	183328438	/nfs/dbraw/zinc/32/84/38/183328438.db2.gz	CKLWKHNSHXCWMZ-KGLIPLIRSA-N	1	0	321.222	2.577	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccc(C#N)cc2)C1	ZINC000616611115	399489076	/nfs/dbraw/zinc/48/90/76/399489076.db2.gz	ANFSKPLLXWHJRX-INIZCTEOSA-N	1	0	315.417	2.872	10	30		DFEERO
CCCCCCCCOC[C@H](O)C[NH2+]C[C@H]1CCCOC1	ZINC000103374094	256575332	/nfs/dbraw/zinc/57/53/32/256575332.db2.gz	PCDIQTWIQDNYTQ-IAGOWNOFSA-N	1	0	301.471	2.741	10	30		DFEERO
CC(C)(C)OC(=O)N1C[C@H](c2[nH+]ccc3[nH]ccc32)[C@H](C=O)C1	ZINC000089220761	426283665	/nfs/dbraw/zinc/28/36/65/426283665.db2.gz	FQFVAIHJKVMBEF-AAEUAGOBSA-N	1	0	315.373	2.712	10	30		DFEERO
CC1(C)CN(c2ccc(Br)cc2C#N)CC[C@H]1[NH3+]	ZINC000261556610	273584770	/nfs/dbraw/zinc/58/47/70/273584770.db2.gz	CAMFXPSXEIFAHN-CYBMUJFWSA-N	1	0	308.223	2.884	10	30		DFEERO
CC1(C)CN(c2ccc(C#N)cc2Br)CC[C@@H]1[NH3+]	ZINC000261578964	273585107	/nfs/dbraw/zinc/58/51/07/273585107.db2.gz	PFVUWCMJJRKXCR-ZDUSSCGKSA-N	1	0	308.223	2.884	10	30		DFEERO
CC[NH+]=C(NCCC1CCOCC1)N1CCSC(C)(C)C1	ZINC000261827410	337611220	/nfs/dbraw/zinc/61/12/20/337611220.db2.gz	IVERIDJTNLUOKN-UHFFFAOYSA-N	1	0	313.511	2.596	10	30		DFEERO
CCNC(N[C@@H]1C[C@H]1c1ccc(Br)s1)=[NH+]CC	ZINC000262337794	337616999	/nfs/dbraw/zinc/61/69/99/337616999.db2.gz	GKMZASTVUUUPIF-RKDXNWHRSA-N	1	0	316.268	2.942	10	30		DFEERO
CC[NH+]=C(NCC(C)(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1	ZINC000261982565	337613677	/nfs/dbraw/zinc/61/36/77/337613677.db2.gz	PFAIFMMSPMCLKD-OAHLLOKOSA-N	1	0	319.497	2.923	10	30		DFEERO
N/C(CC[N@H+](Cc1ccc(Br)cc1)C1CC1)=N/O	ZINC000042531550	183282270	/nfs/dbraw/zinc/28/22/70/183282270.db2.gz	SQTFEYAPOUQOMV-UHFFFAOYSA-N	1	0	312.211	2.550	10	30		DFEERO
N#CCCN([C@H](C[NH3+])c1ccc(Br)cc1)C1CC1	ZINC000042955416	183321275	/nfs/dbraw/zinc/32/12/75/183321275.db2.gz	KTRSDUGBCRDCHH-CQSZACIVSA-N	1	0	308.223	2.827	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C[C@H](C)C#N	ZINC000042955203	183321958	/nfs/dbraw/zinc/32/19/58/183321958.db2.gz	HCOCNCWDJOQSGI-JTNHKYCSSA-N	1	0	310.239	2.929	10	30		DFEERO
N#CCCN([C@H](C[NH3+])c1ccccc1Br)C1CC1	ZINC000043093406	183337006	/nfs/dbraw/zinc/33/70/06/183337006.db2.gz	GPUZSYSBECRXGI-CQSZACIVSA-N	1	0	308.223	2.827	10	30		DFEERO
COc1cc(C[NH3+])cc(Br)c1OCCCCC#N	ZINC000049578343	183743834	/nfs/dbraw/zinc/74/38/34/183743834.db2.gz	XWESRTBDOXHGSW-UHFFFAOYSA-N	1	0	313.195	2.989	10	30		DFEERO
C[C@H]1CCN(c2ccc(C#N)cc2Br)[C@H](C[NH3+])C1	ZINC000261548426	279728353	/nfs/dbraw/zinc/72/83/53/279728353.db2.gz	ALIDNVHFMBHBKN-JQWIXIFHSA-N	1	0	308.223	2.884	10	30		DFEERO
C=C(C)CNC(=[NH2+])NCc1c(F)cc(Br)cc1F	ZINC000187145646	331503407	/nfs/dbraw/zinc/50/34/07/331503407.db2.gz	XETQAQMVWVODGD-UHFFFAOYSA-N	1	0	318.165	2.708	10	30		DFEERO
CC(C)[NH+]1CCC(NC(=O)C[C@H](C)N2CCCCC2=O)CC1	ZINC000329943570	336098013	/nfs/dbraw/zinc/09/80/13/336098013.db2.gz	WJEXFFQAZKCSNA-AWEZNQCLSA-N	1	0	309.454	2.607	10	30		DFEERO
C[C@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)[NH+]1CCCCCC1	ZINC000330081639	336112091	/nfs/dbraw/zinc/11/20/91/336112091.db2.gz	AHVWVPHVIDYIHE-SECBINFHSA-N	1	0	319.331	2.545	10	30		DFEERO
N#CC1(c2nc(CC34CCC[NH+]3CCC4)no2)CCCCC1	ZINC000333630258	336207521	/nfs/dbraw/zinc/20/75/21/336207521.db2.gz	AUQCHWUIJAKFPT-UHFFFAOYSA-N	1	0	300.406	2.966	10	30		DFEERO
[NH3+][C@H](CCC#Cc1ccc([N+](=O)[O-])cc1)c1ccccc1CO	ZINC000584641282	337380080	/nfs/dbraw/zinc/38/00/80/337380080.db2.gz	CVJMLSUBOLUWOS-GOSISDBHSA-N	1	0	310.353	2.919	10	30		DFEERO
C/[NH+]=C(/NCc1cn2ccsc2n1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261761454	337609986	/nfs/dbraw/zinc/60/99/86/337609986.db2.gz	OHQHQPZIHVIHGM-STQMWFEESA-N	1	0	317.462	2.593	10	30		DFEERO
C=CC[NH2+]Cc1cc(Cl)ccc1OCC(=O)NC(C)(C)C	ZINC000020873492	182250894	/nfs/dbraw/zinc/25/08/94/182250894.db2.gz	HGYYHRHDJAQTTO-UHFFFAOYSA-N	1	0	310.825	2.909	10	30		DFEERO
CC[N@@H+](Cc1ccc(Br)cc1)C[C@H](C)/C(N)=N/O	ZINC000042445032	183270916	/nfs/dbraw/zinc/27/09/16/183270916.db2.gz	RWPGVDAXUJWOPG-JTQLQIEISA-N	1	0	314.227	2.654	10	30		DFEERO
CC[C@H]([NH3+])[C@H](c1cccc(Br)c1)N(CC#N)CC#N	ZINC000043020155	183329047	/nfs/dbraw/zinc/32/90/47/183329047.db2.gz	CKLWKHNSHXCWMZ-KBPBESRZSA-N	1	0	321.222	2.577	10	30		DFEERO
N#Cc1ccccc1CN1Cc2ccnn2C[C@H](OCC2CC2)C1	ZINC000247654414	257118514	/nfs/dbraw/zinc/11/85/14/257118514.db2.gz	ONGBSZYSHZFZGP-LJQANCHMSA-N	1	0	322.412	2.566	10	30		DFEERO
CCCCCCC[C@H](O)c1ccc(CCC([NH3+])(CO)CO)cc1	ZINC000044307651	425856029	/nfs/dbraw/zinc/85/60/29/425856029.db2.gz	FPRPJRRMSPRIRR-SFHVURJKSA-N	1	0	323.477	2.695	10	30		DFEERO
O=C(C[NH+]=C(Nc1ccccc1)N1CCCCC1)N1CCCC1	ZINC000263231054	427441627	/nfs/dbraw/zinc/44/16/27/427441627.db2.gz	IDUHQCYXADZKRZ-UHFFFAOYSA-N	1	0	314.433	2.563	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NC[C@H]1Cc2ccccc2O1	ZINC000122018411	334370629	/nfs/dbraw/zinc/37/06/29/334370629.db2.gz	SWHODUXZMNBFQN-OAHLLOKOSA-N	1	0	311.385	2.563	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N[C@H](C)CC	ZINC000171603145	337088340	/nfs/dbraw/zinc/08/83/40/337088340.db2.gz	KEAMDDQZWUUTTN-LLVKDONJSA-N	1	0	309.385	2.546	10	30		DFEERO
C#CC(C)(C)[NH2+]CC(=O)Nc1ccc(C(=O)c2ccccc2)cc1	ZINC000584590892	337373465	/nfs/dbraw/zinc/37/34/65/337373465.db2.gz	NEZKCTXNJYSOTL-UHFFFAOYSA-N	1	0	320.392	2.858	10	30		DFEERO
C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261719112	337609112	/nfs/dbraw/zinc/60/91/12/337609112.db2.gz	KPPAGSFCQOQTEM-NNXHMXCWSA-N	1	0	317.477	2.641	10	30		DFEERO
CCc1cnc(CNC(=[NH+]C)N(C)Cc2csc(C)n2)s1	ZINC000261752200	337609773	/nfs/dbraw/zinc/60/97/73/337609773.db2.gz	NNFUDAOPTKVPAT-UHFFFAOYSA-N	1	0	323.491	2.678	10	30		DFEERO
[NH2+]=C(NCCc1cccs1)N[C@@H]1COc2cccc(Cl)c21	ZINC000262314915	337616880	/nfs/dbraw/zinc/61/68/80/337616880.db2.gz	UBJNPBSBZHBSLP-GFCCVEGCSA-N	1	0	321.833	2.982	10	30		DFEERO
C[NH+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)N[C@@H]1CCC[C@@H]1C#N	ZINC000262407161	337617328	/nfs/dbraw/zinc/61/73/28/337617328.db2.gz	OSGIAWUTIXXDAK-BAESOJJISA-N	1	0	318.371	2.678	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NCc1nc(C)c(C)s1	ZINC000262473262	337618529	/nfs/dbraw/zinc/61/85/29/337618529.db2.gz	ZHPYSAXEAQWOAF-UHFFFAOYSA-N	1	0	304.419	2.833	10	30		DFEERO
CC[NH+]1CCC(Oc2ncc(-c3ccc(C#N)cc3)cn2)CC1	ZINC000090459520	185297750	/nfs/dbraw/zinc/29/77/50/185297750.db2.gz	NZHVJPBBHJIWKI-UHFFFAOYSA-N	1	0	308.385	2.878	10	30		DFEERO
C=CCSc1nc2ccccc2n1CN1CC[NH+](C)CC1	ZINC000022878529	398421608	/nfs/dbraw/zinc/42/16/08/398421608.db2.gz	QQSVOKDZDFSKOQ-UHFFFAOYSA-N	1	0	302.447	2.519	10	30		DFEERO
C#CCCOc1c(Br)cc(C[C@@H](C)[NH3+])cc1OC	ZINC000037724841	190665179	/nfs/dbraw/zinc/66/51/79/190665179.db2.gz	MLSAMJCRKULKCN-SNVBAGLBSA-N	1	0	312.207	2.750	10	30		DFEERO
N#Cc1cccc(-c2cn(-c3ccnc4[nH]ccc43)nc2N)c1	ZINC000113132909	398738588	/nfs/dbraw/zinc/73/85/88/398738588.db2.gz	RBVJHYPTGOIANP-UHFFFAOYSA-N	1	0	300.325	2.869	10	30		DFEERO
COC[C@H](c1ccc(C#N)cc1)N(C)CC(=O)OC(C)(C)C	ZINC000113562445	398739726	/nfs/dbraw/zinc/73/97/26/398739726.db2.gz	WQUMKKZGTBTZHO-OAHLLOKOSA-N	1	0	304.390	2.519	10	30		DFEERO
CCCCCCCC[C@@H]([NH3+])Cc1ccccc1S(N)(=O)=O	ZINC000100298421	193797984	/nfs/dbraw/zinc/79/79/84/193797984.db2.gz	DCXVNYCHZVBTAT-OAHLLOKOSA-N	1	0	312.479	2.954	10	30		DFEERO
CC[N@@H+](Cc1cccc(Br)c1)C[C@H](C)/C(N)=N/O	ZINC000042444987	183270878	/nfs/dbraw/zinc/27/08/78/183270878.db2.gz	GXZPRAHKBFOXBW-JTQLQIEISA-N	1	0	314.227	2.654	10	30		DFEERO
CCCCCCC[C@@H](O)c1ccc(CCC([NH3+])(CO)CO)cc1	ZINC000044307654	425856042	/nfs/dbraw/zinc/85/60/42/425856042.db2.gz	FPRPJRRMSPRIRR-GOSISDBHSA-N	1	0	323.477	2.695	10	30		DFEERO
N#Cc1cnc(Nc2cc(NC3CCCCC3)c(N)c[nH+]2)cn1	ZINC000098178652	426480306	/nfs/dbraw/zinc/48/03/06/426480306.db2.gz	KEVSIAPRHSSKNM-UHFFFAOYSA-N	1	0	309.377	2.814	10	30		DFEERO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCc2cccc3[nH]ccc32)C1	ZINC000328686668	334748846	/nfs/dbraw/zinc/74/88/46/334748846.db2.gz	YLMSXDFMVHWMDY-LSDHHAIUSA-N	1	0	314.433	2.697	10	30		DFEERO
COc1ccc(CNC(=O)C2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000329160791	335947184	/nfs/dbraw/zinc/94/71/84/335947184.db2.gz	DXGSHTLSUYWCMP-MRXNPFEDSA-N	1	0	318.417	2.653	10	30		DFEERO
C[C@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1=O	ZINC000329990630	336103507	/nfs/dbraw/zinc/10/35/07/336103507.db2.gz	JDWPNTFCKWINLI-CQSZACIVSA-N	1	0	321.465	2.608	10	30		DFEERO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@H]2CCN(C3CC3)C2=O)C1	ZINC000330158369	336119123	/nfs/dbraw/zinc/11/91/23/336119123.db2.gz	QALMPFSVAMWBJO-LZWOXQAQSA-N	1	0	321.465	2.607	10	30		DFEERO
C#CC[N@@H+](C)[C@@H](CC=C)Cc1cc(OC)c(OC)c(OC)c1	ZINC000584594884	337374004	/nfs/dbraw/zinc/37/40/04/337374004.db2.gz	AIZCYGKYAAZOSX-HNNXBMFYSA-N	1	0	303.402	2.765	10	30		DFEERO
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H]([NH+]4CCC4)CC3)c2c1	ZINC000584639923	337379766	/nfs/dbraw/zinc/37/97/66/337379766.db2.gz	NBRSGUHQFSLZAB-GASCZTMLSA-N	1	0	307.401	2.930	10	30		DFEERO
C[NH+]=C(N[C@@H]1CC1(C)C)N1CCC(Oc2ccccc2)CC1	ZINC000261693004	337608729	/nfs/dbraw/zinc/60/87/29/337608729.db2.gz	IOVDTVLSNCWBPU-MRXNPFEDSA-N	1	0	301.434	2.904	10	30		DFEERO
COc1ccc([C@H]2C[C@H](NC(=[NH2+])NCC3CCC3)C2)cc1F	ZINC000261781636	337610318	/nfs/dbraw/zinc/61/03/18/337610318.db2.gz	TZTKVOYEXRVWNX-HDJSIYSDSA-N	1	0	305.397	2.785	10	30		DFEERO
C=C(Cl)CNC(N[C@H]1CCc2cn(C(C)C)nc2C1)=[NH+]CC	ZINC000261958968	337613221	/nfs/dbraw/zinc/61/32/21/337613221.db2.gz	JOUATSSREYPGDH-AWEZNQCLSA-N	1	0	323.872	2.629	10	30		DFEERO
C[NH+]=C(NCC1(O)CCC1)N[C@H](C)c1cc2ccccc2o1	ZINC000262760244	337621015	/nfs/dbraw/zinc/62/10/15/337621015.db2.gz	CXRYUPBABGHQMO-GFCCVEGCSA-N	1	0	301.390	2.574	10	30		DFEERO
C[NH+]=C(NC[C@@H]1CCC[C@@H]1O)N[C@@H](C)c1cc2ccccc2o1	ZINC000262816006	337621675	/nfs/dbraw/zinc/62/16/75/337621675.db2.gz	WQFONKSVFGHVJB-QEJZJMRPSA-N	1	0	315.417	2.820	10	30		DFEERO
COc1ccc(CNC(=[NH2+])N[C@H]2CCC23CCCC3)cc1OC	ZINC000263227869	337625591	/nfs/dbraw/zinc/62/55/91/337625591.db2.gz	BATAOAIENGCFMQ-INIZCTEOSA-N	1	0	317.433	2.831	10	30		DFEERO
CC(C)[NH2+]C[C@@H](O)COc1ccc(C#Cc2ccccc2)cc1	ZINC000169318918	197740997	/nfs/dbraw/zinc/74/09/97/197740997.db2.gz	XYZZUBMMEMUATF-LJQANCHMSA-N	1	0	309.409	2.824	10	30		DFEERO
Cc1ccc(Br)cc1CNC(=[NH2+])NCC1CCC1	ZINC000190089460	334943374	/nfs/dbraw/zinc/94/33/74/334943374.db2.gz	RZXDOGUOVOCWOF-UHFFFAOYSA-N	1	0	310.239	2.962	10	30		DFEERO
CC(C)[N@H+](CC/C(N)=N/O)Cc1ccc(Br)cc1	ZINC000042529113	183281074	/nfs/dbraw/zinc/28/10/74/183281074.db2.gz	MGASAMTWFLJGCF-UHFFFAOYSA-N	1	0	314.227	2.796	10	30		DFEERO
CC(C)[N@H+](CC/C(N)=N/O)Cc1cccc(Br)c1	ZINC000042529056	183281133	/nfs/dbraw/zinc/28/11/33/183281133.db2.gz	JBEBLFNAIPPJKQ-UHFFFAOYSA-N	1	0	314.227	2.796	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C[C@H](C)C#N	ZINC000043021695	183329509	/nfs/dbraw/zinc/32/95/09/183329509.db2.gz	FSAWZWPFBBUDQI-JTNHKYCSSA-N	1	0	310.239	2.929	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@@H](c2ccccc2C#N)C1	ZINC000616626064	399491659	/nfs/dbraw/zinc/49/16/59/399491659.db2.gz	QERNVOIXFDOMTO-OAHLLOKOSA-N	1	0	315.417	2.872	10	30		DFEERO
CCCc1cc(N2CC[NH2+]CC2)n2c3ccccc3nc2c1C#N	ZINC000005799380	134473242	/nfs/dbraw/zinc/47/32/42/134473242.db2.gz	BISYAZDWWPTGNX-UHFFFAOYSA-N	1	0	319.412	2.721	10	30		DFEERO
NC(=[NH2+])NC(O)=Cn1c(-c2ccccc2)ccc1-c1ccccc1	ZINC000014962105	425775439	/nfs/dbraw/zinc/77/54/39/425775439.db2.gz	WVLDNAVUCUAGDP-UHFFFAOYSA-N	1	0	318.380	2.622	10	30	in-vivo	DFEERO
C[NH+]=C(NCc1nccn1CC(C)C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000156032002	332460326	/nfs/dbraw/zinc/46/03/26/332460326.db2.gz	PNGQAAREXWCXTP-HOTGVXAUSA-N	1	0	317.481	2.737	10	30		DFEERO
C[NH+]=C(NCC1(CCOC)CCC1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000156083895	332461681	/nfs/dbraw/zinc/46/16/81/332461681.db2.gz	SOHGCYYFEXZZTE-IYBDPMFKSA-N	1	0	307.482	2.891	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NCc1sc(C)nc1C	ZINC000122284238	334377493	/nfs/dbraw/zinc/37/74/93/334377493.db2.gz	ACOCQILSPUHSCI-UHFFFAOYSA-N	1	0	304.419	2.833	10	30		DFEERO
C[NH+](C)[C@@H]1CC[C@H](NC(=O)c2cnc([C@H]3CCCO3)s2)C1	ZINC000328985607	334771448	/nfs/dbraw/zinc/77/14/48/334771448.db2.gz	GQSMRYXPJMFIFM-QJPTWQEYSA-N	1	0	309.435	2.782	10	30		DFEERO
C[C@@H](CC(=O)NCC[NH+]1CCCCCC1)N1CCCCC1=O	ZINC000329946802	336098311	/nfs/dbraw/zinc/09/83/11/336098311.db2.gz	GQARVDCMAWEWCD-HNNXBMFYSA-N	1	0	309.454	2.610	10	30		DFEERO
C[NH+]=C(NCc1cccn1C)N1CC[C@H](Cc2ccccc2)C1	ZINC000262812404	337621639	/nfs/dbraw/zinc/62/16/39/337621639.db2.gz	VMHJVJREXIKERV-QGZVFWFLSA-N	1	0	310.445	2.665	10	30		DFEERO
C[NH+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCC[C@@H]1C(F)(F)F	ZINC000262839873	337621895	/nfs/dbraw/zinc/62/18/95/337621895.db2.gz	UFIDJIQURXFZJM-AVGNSLFASA-N	1	0	321.387	2.699	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NCc1ccc2c(c1)COC2	ZINC000263261031	337626065	/nfs/dbraw/zinc/62/60/65/337626065.db2.gz	MKBVYJMUQTYDKM-UHFFFAOYSA-N	1	0	311.385	2.790	10	30		DFEERO
CN(C)c1ccc(/C=[N+](/O)[C@H]2SC(=S)N(C)C2(C)C)cc1	ZINC000141011107	398893031	/nfs/dbraw/zinc/89/30/31/398893031.db2.gz	JXZYHWMJTGCCPM-ZDUSSCGKSA-N	1	0	324.495	2.641	10	30		DFEERO
CCN(C[C@@H](C)C#N)[C@@H](C[NH3+])c1ccccc1Br	ZINC000043093237	183335588	/nfs/dbraw/zinc/33/55/88/183335588.db2.gz	RTBQLNVLBGPOPV-FZMZJTMJSA-N	1	0	310.239	2.930	10	30		DFEERO
COc1ccc(C(=O)/C=C\[n+]2ccc(N3CCCC3)cc2)cc1	ZINC000033374009	425842145	/nfs/dbraw/zinc/84/21/45/425842145.db2.gz	SPPKSMFAIKTBNO-GDNBJRDFSA-N	1	0	309.389	2.937	10	30		DFEERO
C[NH+]1CCC(C)(CNC(=O)c2cccc3c2OCC(=O)N3)CC1	ZINC000329359072	335967983	/nfs/dbraw/zinc/96/79/83/335967983.db2.gz	XJSPUOAEZFWNJE-UHFFFAOYSA-N	1	0	317.389	2.704	10	30		DFEERO
CC1(C)CC(NC(=O)NCCC2CCOCC2)CC(C)(C)[NH2+]1	ZINC000329694557	336052539	/nfs/dbraw/zinc/05/25/39/336052539.db2.gz	CRYCGZJXCVXZNQ-UHFFFAOYSA-N	1	0	311.470	2.616	10	30		DFEERO
C[C@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1=O	ZINC000329949340	336098636	/nfs/dbraw/zinc/09/86/36/336098636.db2.gz	ZWDOZWISONEKQU-HUUCEWRRSA-N	1	0	309.454	2.608	10	30		DFEERO
C[NH+]=C(NCc1sc(C)nc1C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261725498	337609236	/nfs/dbraw/zinc/60/92/36/337609236.db2.gz	LDAADNSBLQHLRR-KBPBESRZSA-N	1	0	306.479	2.957	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@@H](OC)C12CCC2	ZINC000263160244	337624901	/nfs/dbraw/zinc/62/49/01/337624901.db2.gz	QNKZWGANMHVFGJ-LSDHHAIUSA-N	1	0	303.406	2.517	10	30		DFEERO
CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC(=O)NC2(C)C)CC1	ZINC000328733417	334754275	/nfs/dbraw/zinc/75/42/75/334754275.db2.gz	HTTRRPLAOVMHOZ-CYBMUJFWSA-N	1	0	324.469	2.650	10	30		DFEERO
O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCCc2c(O)cccc21	ZINC000330108372	336114127	/nfs/dbraw/zinc/11/41/27/336114127.db2.gz	NOTAWXOMVOZJHC-WBMJQRKESA-N	1	0	315.417	2.510	10	30		DFEERO
C[NH+](C)C[C@@H](O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F	ZINC000584602267	337371019	/nfs/dbraw/zinc/37/10/19/337371019.db2.gz	LSUAQOJEEKKGRB-YFKPBYRVSA-N	1	0	321.183	2.767	10	30		DFEERO
C[NH+]=C(NCc1cccn1C)N1CC[C@](C)(c2ccccc2)C1	ZINC000261738296	337609398	/nfs/dbraw/zinc/60/93/98/337609398.db2.gz	KJHRSTURGOPPOM-IBGZPJMESA-N	1	0	310.445	2.764	10	30		DFEERO
C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N(C)Cc1ccon1	ZINC000261858477	337611773	/nfs/dbraw/zinc/61/17/73/337611773.db2.gz	ZABAKFDGZPWOQK-UHFFFAOYSA-N	1	0	321.450	2.770	10	30		DFEERO
CC[C@]1(C)CCN(C(NCCc2c[nH]c3ncccc23)=[NH+]C)C1	ZINC000261862297	337611801	/nfs/dbraw/zinc/61/18/01/337611801.db2.gz	ZMBQFCRXXMWFLL-GOSISDBHSA-N	1	0	313.449	2.803	10	30		DFEERO
[NH2+]=C(NCc1cc(Cl)sc1Cl)N1CCSCC1	ZINC000262017039	337614207	/nfs/dbraw/zinc/61/42/07/337614207.db2.gz	WLPKIVWLDQDLLY-UHFFFAOYSA-N	1	0	310.275	2.918	10	30		DFEERO
C[NH+]=C(NCc1ccccn1)N[C@@H]1C[C@@H]1c1c(F)cccc1F	ZINC000262429125	337617672	/nfs/dbraw/zinc/61/76/72/337617672.db2.gz	IQYIJGKOFWOCHF-SWLSCSKDSA-N	1	0	316.355	2.581	10	30		DFEERO
[NH2+]=C(NCc1nnc2ccccn21)Nc1cccc2c1CCCC2	ZINC000262502051	337618722	/nfs/dbraw/zinc/61/87/22/337618722.db2.gz	YPQKDNYOBOCQQS-UHFFFAOYSA-N	1	0	320.400	2.535	10	30		DFEERO
C=CCNC(=O)Nc1ccc(NC(=O)CCCCCC[NH3+])cc1	ZINC000262617551	337619854	/nfs/dbraw/zinc/61/98/54/337619854.db2.gz	MCWTWCIGJNINHR-UHFFFAOYSA-N	1	0	318.421	2.842	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@H](OC)C12CCC2	ZINC000263160241	337624938	/nfs/dbraw/zinc/62/49/38/337624938.db2.gz	QNKZWGANMHVFGJ-HUUCEWRRSA-N	1	0	303.406	2.517	10	30		DFEERO
C=C(Br)COc1ccc(OC)cc1C[C@H](C)[NH3+]	ZINC000037722494	190665031	/nfs/dbraw/zinc/66/50/31/190665031.db2.gz	KKPNYIWYCSZNGT-JTQLQIEISA-N	1	0	300.196	2.872	10	30		DFEERO
CCCCCCCCCC[C@H](O)C[N@H+](C[C@@H](C)O)C[C@H](C)O	ZINC000143345585	398901513	/nfs/dbraw/zinc/90/15/13/398901513.db2.gz	LFPZGOJEBFIUNK-KSZLIROESA-N	1	0	317.514	2.942	10	30		DFEERO
CC[C@H](C/C(N)=N/O)[N@H+](C)Cc1cc(Br)cs1	ZINC000042399481	183264673	/nfs/dbraw/zinc/26/46/73/183264673.db2.gz	YJLMQEABQYNPMS-SECBINFHSA-N	1	0	320.256	2.858	10	30		DFEERO
CC[C@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC#N)CC#N	ZINC000043020151	183328470	/nfs/dbraw/zinc/32/84/70/183328470.db2.gz	CKLWKHNSHXCWMZ-UONOGXRCSA-N	1	0	321.222	2.577	10	30		DFEERO
CCN(C[C@@H](C)C#N)[C@@H](C[NH3+])c1cccc(Br)c1	ZINC000043021663	183329484	/nfs/dbraw/zinc/32/94/84/183329484.db2.gz	ZWXRFINCUCGGTC-FZMZJTMJSA-N	1	0	310.239	2.930	10	30		DFEERO
N#Cc1cccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC000503719542	257208683	/nfs/dbraw/zinc/20/86/83/257208683.db2.gz	NFRRUPNZXLMRLU-PMACEKPBSA-N	1	0	318.424	2.802	10	30		DFEERO
C[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC1CCCCC1	ZINC000263249557	427447622	/nfs/dbraw/zinc/44/76/22/427447622.db2.gz	OIJHXXDADQBEQJ-UHFFFAOYSA-N	1	0	321.396	2.690	10	30		DFEERO
C[C@@H]1CCN(c2ccc(C#N)cc2Br)[C@@H](C[NH3+])C1	ZINC000235349236	277757767	/nfs/dbraw/zinc/75/77/67/277757767.db2.gz	ALIDNVHFMBHBKN-ZYHUDNBSSA-N	1	0	308.223	2.884	10	30		DFEERO
CC[NH+]=C(NCc1c(C)noc1C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000156095299	332461305	/nfs/dbraw/zinc/46/13/05/332461305.db2.gz	IUMNFRWIBDVRIH-GASCZTMLSA-N	1	0	304.438	2.879	10	30		DFEERO
COc1ccc(OC)c(NC(=[NH2+])N[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1	ZINC000123741400	334735331	/nfs/dbraw/zinc/73/53/31/334735331.db2.gz	RRELLWSWWMUCKU-FHLIZLRMSA-N	1	0	323.396	2.769	10	30		DFEERO
O=C(NC1CC1)[C@H](O)C1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1	ZINC000329796504	336082901	/nfs/dbraw/zinc/08/29/01/336082901.db2.gz	GZHOAVMKMLVDKW-RCCFBDPRSA-N	1	0	314.429	2.734	10	30		DFEERO
N#C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)C[C@]12c1ccccc1NC2=O	ZINC000333711598	336208685	/nfs/dbraw/zinc/20/86/85/336208685.db2.gz	PYARFLYHJRHZIL-IYLMUMIBSA-N	1	0	321.424	2.912	10	30		DFEERO
C=CC[NH+](CC=C)[C@@H]1C[C@@H](OCc2ccc(OC)cc2)C[C@H]1O	ZINC000584603375	337371147	/nfs/dbraw/zinc/37/11/47/337371147.db2.gz	RMCMXHNMOXLSHF-GUDVDZBRSA-N	1	0	317.429	2.778	10	30		DFEERO
C[NH+]=C(NCc1nnc(C(C)C)s1)NCc1sccc1C	ZINC000261674984	337608401	/nfs/dbraw/zinc/60/84/01/337608401.db2.gz	CMUHNNDYBAWZPG-UHFFFAOYSA-N	1	0	323.491	2.897	10	30		DFEERO
C[C@@H]1C[NH+]=C(NCCc2c[nH]c3cc(Cl)cc(Cl)c23)N1	ZINC000262635765	337620052	/nfs/dbraw/zinc/62/00/52/337620052.db2.gz	GVEPAPBKONFYLW-MRVPVSSYSA-N	1	0	311.216	2.955	10	30		DFEERO
C=CCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccnc1	ZINC000225407995	398348473	/nfs/dbraw/zinc/34/84/73/398348473.db2.gz	OCRVTUZANJVVTM-LBPRGKRZSA-N	1	0	308.452	2.527	10	30		DFEERO
CCCCCCCCCC[C@H](O)C[NH+](C[C@@H](C)O)C[C@@H](C)O	ZINC000143345187	398902071	/nfs/dbraw/zinc/90/20/71/398902071.db2.gz	LFPZGOJEBFIUNK-KURKYZTESA-N	1	0	317.514	2.942	10	30		DFEERO
N/C(CC[N@H+](Cc1ccc(Br)s1)C1CC1)=N/O	ZINC000042531435	183281768	/nfs/dbraw/zinc/28/17/68/183281768.db2.gz	MFAWTCUMVVOQHV-UHFFFAOYSA-N	1	0	318.240	2.612	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1cccc(Br)c1)N(C)C[C@@H](C)C#N	ZINC000043021697	183330077	/nfs/dbraw/zinc/33/00/77/183330077.db2.gz	FSAWZWPFBBUDQI-MISXGVKJSA-N	1	0	310.239	2.929	10	30		DFEERO
C[NH2+][C@H](C)c1ccc(N(CC#N)CC#N)c(Br)c1	ZINC000061694151	184183522	/nfs/dbraw/zinc/18/35/22/184183522.db2.gz	WGVWLRGOLJESET-SNVBAGLBSA-N	1	0	307.195	2.583	10	30		DFEERO
CN(C)C(=[NH+]Cc1c(F)cc(Br)cc1F)N(C)C	ZINC000187145838	331503193	/nfs/dbraw/zinc/50/31/93/331503193.db2.gz	RANLVLKEGXHWAZ-UHFFFAOYSA-N	1	0	320.181	2.707	10	30		DFEERO
O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ncoc1[C@@H]1CCCO1	ZINC000329903667	336093788	/nfs/dbraw/zinc/09/37/88/336093788.db2.gz	IMZVHDQIVBCUFJ-KBPBESRZSA-N	1	0	319.405	2.848	10	30		DFEERO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1	ZINC000333618986	336207397	/nfs/dbraw/zinc/20/73/97/336207397.db2.gz	IEDDNVLXCKALKG-AIANPOQGSA-N	1	0	302.422	2.539	10	30		DFEERO
C=C(Br)CNC(NC[C@@H]1CCc2ccccc21)=[NH+]C	ZINC000174059007	337139009	/nfs/dbraw/zinc/13/90/09/337139009.db2.gz	ORVDFVRIMHMHGI-ZDUSSCGKSA-N	1	0	322.250	2.790	10	30		DFEERO
C#CC[N@@H+](C)[C@H](CC=C)Cc1cc(OC)c(OC)c(OC)c1	ZINC000584594887	337373944	/nfs/dbraw/zinc/37/39/44/337373944.db2.gz	AIZCYGKYAAZOSX-OAHLLOKOSA-N	1	0	303.402	2.765	10	30		DFEERO
CN1C(=O)C[C@@H](CNC(=[NH2+])Nc2ccccc2)[C@@H]1c1ccccc1	ZINC000262436673	337618080	/nfs/dbraw/zinc/61/80/80/337618080.db2.gz	XLTYAESRMDALFP-YJBOKZPZSA-N	1	0	322.412	2.633	10	30		DFEERO
C[NH+]=C(NCC1(O)CCC1)N[C@@H](C)c1cc2ccccc2o1	ZINC000262760247	337621002	/nfs/dbraw/zinc/62/10/02/337621002.db2.gz	CXRYUPBABGHQMO-LBPRGKRZSA-N	1	0	301.390	2.574	10	30		DFEERO
CC[NH+]=C(NCc1csc2ccccc12)NC[C@H]1CCOC1	ZINC000262832259	337621742	/nfs/dbraw/zinc/62/17/42/337621742.db2.gz	RSTZCKOSRAIMPQ-CYBMUJFWSA-N	1	0	317.458	2.993	10	30		DFEERO
[NH2+]=C(NCC1(CO)CC(c2ccccc2)C1)Nc1ccccc1	ZINC000262853282	337622010	/nfs/dbraw/zinc/62/20/10/337622010.db2.gz	SPWRVKVJHCJONY-UHFFFAOYSA-N	1	0	309.413	2.970	10	30		DFEERO
N#Cc1csc(-c2nc(CC34CCC[NH+]3CCC4)no2)c1	ZINC000333850289	269979847	/nfs/dbraw/zinc/97/98/47/269979847.db2.gz	NILSRIRMFMAOPI-UHFFFAOYSA-N	1	0	300.387	2.841	10	30		DFEERO
CCCCCCCC[C@H]([NH3+])Cc1ccccc1S(N)(=O)=O	ZINC000100298417	426482193	/nfs/dbraw/zinc/48/21/93/426482193.db2.gz	DCXVNYCHZVBTAT-HNNXBMFYSA-N	1	0	312.479	2.954	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC(C)(C)C	ZINC000263262576	427449216	/nfs/dbraw/zinc/44/92/16/427449216.db2.gz	TXGAKTDYQKYBFW-UHFFFAOYSA-N	1	0	309.385	2.546	10	30		DFEERO
CC[NH+]=C(NCc1ccc(C)c(F)c1)N1CC[C@]2(CCOC2)C1	ZINC000158074699	332556781	/nfs/dbraw/zinc/55/67/81/332556781.db2.gz	JPKPMXPSSUOUKI-SFHVURJKSA-N	1	0	319.424	2.712	10	30		DFEERO
COCC1(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)CC1	ZINC000329436271	335976125	/nfs/dbraw/zinc/97/61/25/335976125.db2.gz	LWKHGTOFDYNDFK-UHFFFAOYSA-N	1	0	319.405	2.569	10	30		DFEERO
COc1c(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)c(C)nn1C	ZINC000329684877	336044469	/nfs/dbraw/zinc/04/44/69/336044469.db2.gz	YGSZBNRDXAQBQA-HNNXBMFYSA-N	1	0	320.437	2.601	10	30		DFEERO
C[NH+]=C(NCCc1cccs1)N(C)Cc1csc(C)n1	ZINC000261784653	337610419	/nfs/dbraw/zinc/61/04/19/337610419.db2.gz	QKCSIMHQBXPYCG-UHFFFAOYSA-N	1	0	308.476	2.763	10	30		DFEERO
[NH2+]=C(Nc1cccc(OC(F)(F)F)c1)N[C@H]1C[C@@H]1C(F)F	ZINC000262827686	337621791	/nfs/dbraw/zinc/62/17/91/337621791.db2.gz	QSPIVXDJHGRGOU-IUCAKERBSA-N	1	0	309.238	2.965	10	30		DFEERO
C=C(Br)COc1ccc(OC)cc1C[C@@H](C)[NH3+]	ZINC000037722495	190665304	/nfs/dbraw/zinc/66/53/04/190665304.db2.gz	KKPNYIWYCSZNGT-SNVBAGLBSA-N	1	0	300.196	2.872	10	30		DFEERO
C#CC[C@H]([NH3+])c1nc2cccc(C)c2c(=O)n1-c1ccccc1	ZINC000113649540	398740847	/nfs/dbraw/zinc/74/08/47/398740847.db2.gz	CKMVNSMILBEBSA-HNNXBMFYSA-N	1	0	303.365	2.717	10	30		DFEERO
CC(=NO)[C@@H]1C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)C1(C)C	ZINC000606445788	399072042	/nfs/dbraw/zinc/07/20/42/399072042.db2.gz	LIXAEYWZSVAANR-KBPBESRZSA-N	1	0	311.470	2.735	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1ccccc1Br)N(C)C[C@H](C)C#N	ZINC000043093271	183336642	/nfs/dbraw/zinc/33/66/42/183336642.db2.gz	VIYTYJDOKQTWJW-JTNHKYCSSA-N	1	0	310.239	2.929	10	30		DFEERO
N#Cc1ccc(N2C[C@@]3(CC2=O)CCCC[N@@H+]3CC2CC2)cc1	ZINC000063527417	184284929	/nfs/dbraw/zinc/28/49/29/184284929.db2.gz	DUJHZQRUAVNMOA-IBGZPJMESA-N	1	0	309.413	2.930	10	30		DFEERO
CCC[NH+]1CCC(NC(=O)C[C@@H](C)N2CCCCC2=O)CC1	ZINC000329913381	336094811	/nfs/dbraw/zinc/09/48/11/336094811.db2.gz	BSFZJZBPIRAELF-CQSZACIVSA-N	1	0	309.454	2.608	10	30		DFEERO
C[C@@H](C(=O)NCc1nc(C(F)(F)F)n[nH]1)[NH+]1CCCCCC1	ZINC000330081640	336112063	/nfs/dbraw/zinc/11/20/63/336112063.db2.gz	AHVWVPHVIDYIHE-VIFPVBQESA-N	1	0	319.331	2.545	10	30		DFEERO
CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CCN(C3CC3)C2=O)C1	ZINC000330158371	336119147	/nfs/dbraw/zinc/11/91/47/336119147.db2.gz	QALMPFSVAMWBJO-SQWLQELKSA-N	1	0	321.465	2.607	10	30		DFEERO
CC[NH+]=C(NCCc1cc(F)cc2c1OCOC2)NC(C)(C)C	ZINC000103895892	336383146	/nfs/dbraw/zinc/38/31/46/336383146.db2.gz	HIAFFYJUOHMBLQ-UHFFFAOYSA-N	1	0	323.412	2.588	10	30		DFEERO
COc1ccccc1N1CC[NH+](C2CCC(=NO)CC2)CC1	ZINC000584601495	337370894	/nfs/dbraw/zinc/37/08/94/337370894.db2.gz	XUUQYQDZTRLQDC-UHFFFAOYSA-N	1	0	303.406	2.590	10	30		DFEERO
CC[NH+]=C(NC[C@](C)(O)c1ccco1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261629127	337606856	/nfs/dbraw/zinc/60/68/56/337606856.db2.gz	CGMBQECDPHALQQ-DAYGRLMNSA-N	1	0	319.449	2.575	10	30		DFEERO
CC[NH+]=C(NCC1CCC1)N[C@@H]1CCc2cn(C(C)C)nc2C1	ZINC000261978173	337613631	/nfs/dbraw/zinc/61/36/31/337613631.db2.gz	OESUXLMUAKRQSO-MRXNPFEDSA-N	1	0	317.481	2.677	10	30		DFEERO
COc1ccccc1[C@]1(C)C[C@@H]1NC(=[NH2+])N1CCC[C@@H](C)C1	ZINC000262537913	337619121	/nfs/dbraw/zinc/61/91/21/337619121.db2.gz	QNMOBOJDHLZJCX-SKDZVZGDSA-N	1	0	301.434	2.772	10	30		DFEERO
C[NH+]=C(NCc1nc(C(C)C)c(C)s1)N1CC[C@H](COC)C1	ZINC000262801357	337621472	/nfs/dbraw/zinc/62/14/72/337621472.db2.gz	QWMRDHMYRCDGBW-ZDUSSCGKSA-N	1	0	324.494	2.619	10	30		DFEERO
N#CCN1CC2(CC[NH+](C3CCOCC3)CC2)c2ccccc21	ZINC000096078847	283053166	/nfs/dbraw/zinc/05/31/66/283053166.db2.gz	VQCWNIPQTNIANL-UHFFFAOYSA-N	1	0	311.429	2.543	10	30		DFEERO
COc1ccc(COc2ccc(/C=[N+](/C)O)cc2OC)cc1	ZINC000138576543	398879139	/nfs/dbraw/zinc/87/91/39/398879139.db2.gz	KUKYHWMXENURRQ-WQRHYEAKSA-N	1	0	302.350	2.733	10	30		DFEERO
C=CC[N@@H+](C[C@H](C)O)C[C@H]1CC(c2ccc(Cl)cc2)=NO1	ZINC000104985257	425966999	/nfs/dbraw/zinc/96/69/99/425966999.db2.gz	ZGJVNCWXLWTILY-SWLSCSKDSA-N	1	0	308.809	2.702	10	30		DFEERO
CC1(C)CN(c2cccc(Br)c2C#N)CC[C@H]1[NH3+]	ZINC000261555924	273585397	/nfs/dbraw/zinc/58/53/97/273585397.db2.gz	BSNQWBCNMCDMHC-CYBMUJFWSA-N	1	0	308.223	2.884	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])NC[C@@H]1Cc2ccccc2O1	ZINC000122018193	334370758	/nfs/dbraw/zinc/37/07/58/334370758.db2.gz	SWHODUXZMNBFQN-HNNXBMFYSA-N	1	0	311.385	2.563	10	30		DFEERO
O=C(NC1CC1)[C@H](O)C1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1	ZINC000329796500	336082931	/nfs/dbraw/zinc/08/29/31/336082931.db2.gz	GZHOAVMKMLVDKW-KZNAEPCWSA-N	1	0	314.429	2.734	10	30		DFEERO
CC(C)(C)OC(=O)NCC[NH2+]C[C@@H]1CCc2cc(C#N)ccc21	ZINC000584645332	337380323	/nfs/dbraw/zinc/38/03/23/337380323.db2.gz	FMMACDSDHUOUIZ-HNNXBMFYSA-N	1	0	315.417	2.702	10	30		DFEERO
COc1ccc([C@H]2C[C@H](NC(=[NH2+])Nc3ccccn3)C2)cc1F	ZINC000261612598	337607783	/nfs/dbraw/zinc/60/77/83/337607783.db2.gz	CHJRIENUHGKZSP-JOCQHMNTSA-N	1	0	314.364	2.902	10	30		DFEERO
Cc1cc(CNC(=[NH2+])Nc2ccc(OC(C)C)cc2)nc(C)n1	ZINC000261880772	337612021	/nfs/dbraw/zinc/61/20/21/337612021.db2.gz	QVYFTHZNSOSSHY-UHFFFAOYSA-N	1	0	313.405	2.807	10	30		DFEERO
C[NH+]=C(NCc1nccc2ccccc21)N(C)Cc1cccn1C	ZINC000262004532	337614183	/nfs/dbraw/zinc/61/41/83/337614183.db2.gz	VFRBMCSNBNJDEW-UHFFFAOYSA-N	1	0	321.428	2.781	10	30		DFEERO
C[NH+]=C(NCc1ccccn1)N[C@@H]1C[C@H]1c1c(F)cccc1F	ZINC000262429120	337617712	/nfs/dbraw/zinc/61/77/12/337617712.db2.gz	IQYIJGKOFWOCHF-IUODEOHRSA-N	1	0	316.355	2.581	10	30		DFEERO
COc1cccc(CCNC(=[NH2+])Nc2cccc3c2CCCC3)n1	ZINC000262730889	337620963	/nfs/dbraw/zinc/62/09/63/337620963.db2.gz	CYAVUCNCMDURDN-UHFFFAOYSA-N	1	0	324.428	2.938	10	30		DFEERO
CC[NH+]=C(NCC1CCC1)NC[C@H]1CCOc2ccccc21	ZINC000262792641	337621237	/nfs/dbraw/zinc/62/12/37/337621237.db2.gz	OMIYCUBDHFEGLP-OAHLLOKOSA-N	1	0	301.434	2.908	10	30		DFEERO
[NH2+]=C(NCc1ncc(C(F)(F)F)cn1)NC1CCCCCC1	ZINC000263129582	337624644	/nfs/dbraw/zinc/62/46/44/337624644.db2.gz	MXRUMBGCAAZZOV-UHFFFAOYSA-N	1	0	315.343	2.623	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@H]1C[C@H](OC)C12CCC2	ZINC000263160238	337624888	/nfs/dbraw/zinc/62/48/88/337624888.db2.gz	QNKZWGANMHVFGJ-GJZGRUSLSA-N	1	0	303.406	2.517	10	30		DFEERO
Cc1cc(NC(NC(C)(C)C)=[NH+]CCO)c2ccccc2n1	ZINC000005419563	181241529	/nfs/dbraw/zinc/24/15/29/181241529.db2.gz	UNQUVONLVUVHLK-UHFFFAOYSA-N	1	0	300.406	2.692	10	30		DFEERO
Cc1ccc([NH+]=CN(C)C)cc1S(=O)(=O)N1CCCCCC1	ZINC000606347805	399056387	/nfs/dbraw/zinc/05/63/87/399056387.db2.gz	QCZSVUGDWWVGKK-UHFFFAOYSA-N	1	0	323.462	2.781	10	30		DFEERO
CCN(C[C@H](C)C#N)[C@@H](C[NH3+])c1ccc(Br)cc1	ZINC000042955151	183322421	/nfs/dbraw/zinc/32/24/21/183322421.db2.gz	IOSDEJYTJHXQCV-RISCZKNCSA-N	1	0	310.239	2.930	10	30		DFEERO
NC(=[NH2+])NN=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000007929867	425656351	/nfs/dbraw/zinc/65/63/51/425656351.db2.gz	VQJXPYNQEGIFED-FRKPEAEDSA-N	1	0	307.151	2.526	10	30		DFEERO
N#Cc1ccc(CNC(=[NH2+])N[C@H]2CCOc3ccccc32)s1	ZINC000263161686	268051537	/nfs/dbraw/zinc/05/15/37/268051537.db2.gz	QRXFNJRCNIBZSK-AWEZNQCLSA-N	1	0	312.398	2.548	10	30		DFEERO
CC(C)(C)OC(=O)N1C[C@H](C=O)[C@H](c2[nH+]ccc3[nH]ccc32)C1	ZINC000089220752	426283541	/nfs/dbraw/zinc/28/35/41/426283541.db2.gz	FQFVAIHJKVMBEF-DGCLKSJQSA-N	1	0	315.373	2.712	10	30		DFEERO
CC[C@@H](C)c1ccc(NC(=[NH2+])NCC(=O)N2CCCC2)cc1	ZINC000263274854	427452322	/nfs/dbraw/zinc/45/23/22/427452322.db2.gz	YCCZHZUDZAVJAH-CYBMUJFWSA-N	1	0	302.422	2.549	10	30		DFEERO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1	ZINC000333618985	336207382	/nfs/dbraw/zinc/20/73/82/336207382.db2.gz	IEDDNVLXCKALKG-AESZEHBQSA-N	1	0	302.422	2.539	10	30		DFEERO
CCc1cnc(CNC(=[NH+]C)N2C[C@@H]3CCCC[C@H]3C2)s1	ZINC000261630504	337606805	/nfs/dbraw/zinc/60/68/05/337606805.db2.gz	CJHYSJWUUJVUFC-STQMWFEESA-N	1	0	306.479	2.903	10	30		DFEERO
C[NH+]=C(N[C@@H]1C[C@](C)(OC)C1(C)C)N(C)Cc1csc(C)n1	ZINC000261702488	337608851	/nfs/dbraw/zinc/60/88/51/337608851.db2.gz	JHMTWVVWYUYHJN-CJNGLKHVSA-N	1	0	324.494	2.662	10	30		DFEERO
COC(=O)c1cc(CNC(=[NH2+])Nc2cccc(C)c2)oc1C	ZINC000262022960	337614406	/nfs/dbraw/zinc/61/44/06/337614406.db2.gz	YLMZQOGOSTZGRB-UHFFFAOYSA-N	1	0	301.346	2.610	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1C[C@@](C)(OC)C1(C)C	ZINC000262429653	337617709	/nfs/dbraw/zinc/61/77/09/337617709.db2.gz	SDZAJIVANMMWEG-RHSMWYFYSA-N	1	0	305.422	2.763	10	30		DFEERO
COc1cccc(C(F)(F)CNC(=[NH2+])Nc2cccc(C)c2)n1	ZINC000262679520	337620477	/nfs/dbraw/zinc/62/04/77/337620477.db2.gz	VMNBJCDLFLRXHE-UHFFFAOYSA-N	1	0	320.343	2.917	10	30		DFEERO
CCNC(=[NH2+])Nc1cc(Br)ccc1Br	ZINC000052091719	398832667	/nfs/dbraw/zinc/83/26/67/398832667.db2.gz	UXWZSCLLYOGEIG-UHFFFAOYSA-N	1	0	321.016	2.767	10	30		DFEERO
CC[C@H]([NH3+])[C@@H](c1ccc(Br)cc1)N(CC#N)CC#N	ZINC000042952536	183320937	/nfs/dbraw/zinc/32/09/37/183320937.db2.gz	CMWZKQBWYRFTFA-UONOGXRCSA-N	1	0	321.222	2.577	10	30		DFEERO
CC[C@@H]([NH3+])[C@@H](c1cccc(Br)c1)N(CC#N)CC#N	ZINC000043020153	183328673	/nfs/dbraw/zinc/32/86/73/183328673.db2.gz	CKLWKHNSHXCWMZ-ZIAGYGMSSA-N	1	0	321.222	2.577	10	30		DFEERO
N#Cc1cccc(C[NH+]2CCC([C@H](O)c3ccccn3)CC2)c1	ZINC000065288610	184323171	/nfs/dbraw/zinc/32/31/71/184323171.db2.gz	BADJWZMGTYZDLV-IBGZPJMESA-N	1	0	307.397	2.899	10	30		DFEERO
C=C[C@H]1C[N@H+]2CC[C@H]1C[C@H]2[C@@H](O)c1ccnc2ccc(O)cc21	ZINC000014684843	425774098	/nfs/dbraw/zinc/77/40/98/425774098.db2.gz	VJFMSYZSFUWQPZ-OYUDYFSCSA-N	1	0	310.397	2.870	10	30		DFEERO
Cc1c(C(=O)N[C@@H]2CC[C@@H]([NH+](C)C)C2)nnn1CC1CCCC1	ZINC000329906349	336094158	/nfs/dbraw/zinc/09/41/58/336094158.db2.gz	SDOKRCGFLQVQDV-HUUCEWRRSA-N	1	0	319.453	2.564	10	30		DFEERO
CC(C)[NH+]1CCC(NC(=O)C[C@@H](C)N2CCCCC2=O)CC1	ZINC000329943571	336098022	/nfs/dbraw/zinc/09/80/22/336098022.db2.gz	WJEXFFQAZKCSNA-CQSZACIVSA-N	1	0	309.454	2.607	10	30		DFEERO
C=CCN(CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1[NH3+]	ZINC000584614407	337372615	/nfs/dbraw/zinc/37/26/15/337372615.db2.gz	HVYLUHTUNZIPNA-GUDVDZBRSA-N	1	0	316.445	2.744	10	30		DFEERO
[NH2+]=C(NCC1(C(F)F)CC1)Nc1ccc2c(c1)OCCCO2	ZINC000262444968	337618186	/nfs/dbraw/zinc/61/81/86/337618186.db2.gz	IMTUQGIAYVRLKP-UHFFFAOYSA-N	1	0	311.332	2.620	10	30		DFEERO
[NH2+]=C(N[C@H]1C[C@H]1c1c(F)cccc1Cl)N1CCSCC1	ZINC000262551892	337619184	/nfs/dbraw/zinc/61/91/84/337619184.db2.gz	YOVUPFPBVZXKGA-SKDRFNHKSA-N	1	0	313.829	2.699	10	30		DFEERO
C[NH+]=C(NCc1ccco1)N[C@@H]1C[C@@]1(C)c1ccccc1OC	ZINC000262685277	337620469	/nfs/dbraw/zinc/62/04/69/337620469.db2.gz	UVUOOLABHIHZGY-AEFFLSMTSA-N	1	0	313.401	2.683	10	30		DFEERO
C=C(Br)COc1ccc(C[C@H](C)[NH3+])cc1OC	ZINC000037727014	190665185	/nfs/dbraw/zinc/66/51/85/190665185.db2.gz	NMDRUVSNRJJHQW-JTQLQIEISA-N	1	0	300.196	2.872	10	30		DFEERO
CC[NH+](CC)CCCCNC1=CC(=O)C(=O)c2ccccc21	ZINC000140748464	398891972	/nfs/dbraw/zinc/89/19/72/398891972.db2.gz	KCNOZVWMCIYCLV-UHFFFAOYSA-N	1	0	300.402	2.505	10	30		DFEERO
O=C1C[N+](=O)C(c2ccccc2F)c2cc(Cl)ccc2N1	ZINC000038653878	183005934	/nfs/dbraw/zinc/00/59/34/183005934.db2.gz	ZGTHEZQZYSLZDD-UHFFFAOYSA-N	1	0	304.708	2.779	10	30		DFEERO
CC[C@@H](C/C(N)=N/O)[N@H+](C)Cc1cc(Br)cs1	ZINC000042399477	183264271	/nfs/dbraw/zinc/26/42/71/183264271.db2.gz	YJLMQEABQYNPMS-VIFPVBQESA-N	1	0	320.256	2.858	10	30		DFEERO
N#CCCN([C@@H](C[NH3+])c1ccc(Br)cc1)C1CC1	ZINC000042955420	183322443	/nfs/dbraw/zinc/32/24/43/183322443.db2.gz	KTRSDUGBCRDCHH-AWEZNQCLSA-N	1	0	308.223	2.827	10	30		DFEERO
CC(C)(C)OC(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C#N)C1	ZINC000616612631	399489026	/nfs/dbraw/zinc/48/90/26/399489026.db2.gz	QERNVOIXFDOMTO-HNNXBMFYSA-N	1	0	315.417	2.872	10	30		DFEERO
N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1	ZINC000503719543	257208780	/nfs/dbraw/zinc/20/87/80/257208780.db2.gz	NFRRUPNZXLMRLU-WOJBJXKFSA-N	1	0	318.424	2.802	10	30		DFEERO
CC(C)[NH+]1CCN(c2ncc(-c3ccc(C#N)cc3)cn2)CC1	ZINC000034806359	425842651	/nfs/dbraw/zinc/84/26/51/425842651.db2.gz	VMYMHTZYJNQFRF-UHFFFAOYSA-N	1	0	307.401	2.546	10	30		DFEERO
CC(C)(C)OC(=O)N1C[C@@H](C=O)[C@H](c2[nH+]ccc3[nH]ccc32)C1	ZINC000089220755	426283322	/nfs/dbraw/zinc/28/33/22/426283322.db2.gz	FQFVAIHJKVMBEF-WCQYABFASA-N	1	0	315.373	2.712	10	30		DFEERO
Cc1c[nH+]c(C2CCC2)n1CCNC(=O)c1ccc(C#N)cc1	ZINC000575555787	430084865	/nfs/dbraw/zinc/08/48/65/430084865.db2.gz	SBGIBBDTNAYBPT-UHFFFAOYSA-N	1	0	308.385	2.761	10	30		DFEERO
CC[NH+]1CCC(CCNC(=O)c2ncoc2[C@H]2CCCO2)CC1	ZINC000329677365	336037509	/nfs/dbraw/zinc/03/75/09/336037509.db2.gz	VCYAAAAFWLQLDP-CQSZACIVSA-N	1	0	321.421	2.953	10	30		DFEERO
Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1	ZINC000333618987	336207392	/nfs/dbraw/zinc/20/73/92/336207392.db2.gz	IEDDNVLXCKALKG-IVSAIRAKSA-N	1	0	302.422	2.539	10	30		DFEERO
[NH2+]=C(NCCc1cccs1)N[C@H]1COc2cccc(Cl)c21	ZINC000262314920	337616859	/nfs/dbraw/zinc/61/68/59/337616859.db2.gz	UBJNPBSBZHBSLP-LBPRGKRZSA-N	1	0	321.833	2.982	10	30		DFEERO
COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])N1CCCCCC1	ZINC000262572852	337619434	/nfs/dbraw/zinc/61/94/34/337619434.db2.gz	ZKSIUKNNOHBBTP-SJLPKXTDSA-N	1	0	301.434	2.916	10	30		DFEERO
C#CC[C@H]([NH3+])c1ncc(Br)cc1Br	ZINC000133290647	398860619	/nfs/dbraw/zinc/86/06/19/398860619.db2.gz	BBYWAODWELKLIU-QMMMGPOBSA-N	1	0	303.985	2.630	10	30		DFEERO
C[NH+](C)CCC[C@@](O)(c1ccccc1)c1ccc(C#N)cc1CO	ZINC000022000113	182302825	/nfs/dbraw/zinc/30/28/25/182302825.db2.gz	GSZABHHMLOJLEK-HXUWFJFHSA-N	1	0	324.424	2.628	10	30		DFEERO
C=C(Br)COc1cc2c(cc1C[NH2+]CC)OCO2	ZINC000042874480	183316092	/nfs/dbraw/zinc/31/60/92/183316092.db2.gz	SPVBCFFWHYVWRR-UHFFFAOYSA-N	1	0	314.179	2.812	10	30		DFEERO
CCN(C[C@@H](C)C#N)[C@@H](C[NH3+])c1ccc(Br)cc1	ZINC000042955148	183322149	/nfs/dbraw/zinc/32/21/49/183322149.db2.gz	IOSDEJYTJHXQCV-FZMZJTMJSA-N	1	0	310.239	2.930	10	30		DFEERO
N#Cc1ccc(N2C[C@]3(CC2=O)CCCC[N@@H+]3CC2CC2)cc1	ZINC000063527416	184285214	/nfs/dbraw/zinc/28/52/14/184285214.db2.gz	DUJHZQRUAVNMOA-LJQANCHMSA-N	1	0	309.413	2.930	10	30		DFEERO
N#Cc1cc(Br)cc2c1n[nH]c2C1CC[NH2+]CC1	ZINC000079034536	426189234	/nfs/dbraw/zinc/18/92/34/426189234.db2.gz	AANIQVYKYPKCSK-UHFFFAOYSA-N	1	0	305.179	2.664	10	30		DFEERO
C=CCOCc1cc([N+](=O)[O-])ccc1OCC[NH+]1CCCC1	ZINC000095635507	426374220	/nfs/dbraw/zinc/37/42/20/426374220.db2.gz	GQBKXZRZSDLTDI-UHFFFAOYSA-N	1	0	306.362	2.772	10	30		DFEERO
C[NH+]=C(NCCc1c(C)noc1C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000156097473	332462596	/nfs/dbraw/zinc/46/25/96/332462596.db2.gz	GKAIYALXOPMUAS-GASCZTMLSA-N	1	0	304.438	2.531	10	30		DFEERO
C[NH+](C)[C@]1(CNC(=O)C[C@H]2CCCCC(=O)N2)CCSC1	ZINC000328639589	334745203	/nfs/dbraw/zinc/74/52/03/334745203.db2.gz	DTQZRTSBXBUGDA-DOMZBBRYSA-N	1	0	313.467	2.669	10	30		DFEERO
C=CC[NH+](CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@H]1O	ZINC000584603376	337371162	/nfs/dbraw/zinc/37/11/62/337371162.db2.gz	RMCMXHNMOXLSHF-IPMKNSEASA-N	1	0	317.429	2.778	10	30		DFEERO
C=CC[NH+](CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@@H]1O	ZINC000584603377	337371203	/nfs/dbraw/zinc/37/12/03/337371203.db2.gz	RMCMXHNMOXLSHF-OTWHNJEPSA-N	1	0	317.429	2.778	10	30		DFEERO
C[NH+]=C(NCc1cn2ccccc2n1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261630445	337606846	/nfs/dbraw/zinc/60/68/46/337606846.db2.gz	CIBRDHQPBVRTOF-GJZGRUSLSA-N	1	0	311.433	2.532	10	30		DFEERO
C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261616503	337607913	/nfs/dbraw/zinc/60/79/13/337607913.db2.gz	ATWXPLNFLRCRBM-OWCLPIDISA-N	1	0	318.465	2.580	10	30		DFEERO
CC[NH+]=C(NCC1CCC1)N[C@H]1CCc2cn(C(C)C)nc2C1	ZINC000261978167	337613574	/nfs/dbraw/zinc/61/35/74/337613574.db2.gz	OESUXLMUAKRQSO-INIZCTEOSA-N	1	0	317.481	2.677	10	30		DFEERO
COCc1ccccc1NC(=[NH2+])N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C	ZINC000263170637	337625012	/nfs/dbraw/zinc/62/50/12/337625012.db2.gz	RISANHNHDDYCJE-DFBGVHRSSA-N	1	0	305.422	2.619	10	30		DFEERO
C[C@@H](CC[N@H+](CCCC#N)Cc1ccccc1)OS(C)(=O)=O	ZINC000034533333	398548576	/nfs/dbraw/zinc/54/85/76/398548576.db2.gz	UISVMMLMWIMNNG-HNNXBMFYSA-N	1	0	324.446	2.547	10	30		DFEERO
C[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N(C)C[C@@H](C)C#N	ZINC000042955206	183322419	/nfs/dbraw/zinc/32/24/19/183322419.db2.gz	HCOCNCWDJOQSGI-MISXGVKJSA-N	1	0	310.239	2.929	10	30		DFEERO
CC[C@@H]([NH3+])[C@@H](c1ccccc1Br)N(CC#N)CC#N	ZINC000043090976	183336096	/nfs/dbraw/zinc/33/60/96/183336096.db2.gz	VGWPJDVUPOQCRF-ZIAGYGMSSA-N	1	0	321.222	2.577	10	30		DFEERO
CC(C)C[C@@](O)(C(=O)CCC#CC[NH+](C)C)c1ccccc1	ZINC000013825171	425762906	/nfs/dbraw/zinc/76/29/06/425762906.db2.gz	RPANYBHEWYYJOE-IBGZPJMESA-N	1	0	301.430	2.835	10	30		DFEERO
C[C@H](CC(=O)NC1CC([NH+]2CCCCC2)C1)N1CCCCC1=O	ZINC000328742785	334750992	/nfs/dbraw/zinc/75/09/92/334750992.db2.gz	JSCONXCZARWBKM-QQFBHYJXSA-N	1	0	321.465	2.751	10	30		DFEERO
C[C@@H](CC(=O)NCC1CC[NH+](C2CC2)CC1)N1CCCCC1=O	ZINC000328748380	334751505	/nfs/dbraw/zinc/75/15/05/334751505.db2.gz	LZVNZSUMEKSVPI-AWEZNQCLSA-N	1	0	321.465	2.608	10	30		DFEERO
C[C@@H](CC(=O)NC1CC[NH+](CC2CC2)CC1)N1CCCCC1=O	ZINC000329990629	336103568	/nfs/dbraw/zinc/10/35/68/336103568.db2.gz	JDWPNTFCKWINLI-AWEZNQCLSA-N	1	0	321.465	2.608	10	30		DFEERO
C=CCN(CC=C)[C@@H]1C[C@H](OCc2ccc(OC)cc2)C[C@@H]1[NH3+]	ZINC000584614403	337372629	/nfs/dbraw/zinc/37/26/29/337372629.db2.gz	HVYLUHTUNZIPNA-CEXWTWQISA-N	1	0	316.445	2.744	10	30		DFEERO
C[NH+]=C(NCc1nc(C)c(C)s1)N(C)Cc1csc(C)n1	ZINC000261851778	337611722	/nfs/dbraw/zinc/61/17/22/337611722.db2.gz	XLIANKROFMLEBW-UHFFFAOYSA-N	1	0	323.491	2.732	10	30		DFEERO
CN(C(=[NH2+])NCc1cc(Oc2ccc(F)cc2)ccn1)C1CC1	ZINC000262256211	337616148	/nfs/dbraw/zinc/61/61/48/337616148.db2.gz	QIBUFUSAYAADRI-UHFFFAOYSA-N	1	0	314.364	2.922	10	30		DFEERO
[NH2+]=C(N[C@@H]1C[C@@H]1c1c(F)cccc1Cl)N1CCSCC1	ZINC000262551891	337619187	/nfs/dbraw/zinc/61/91/87/337619187.db2.gz	YOVUPFPBVZXKGA-JOYOIKCWSA-N	1	0	313.829	2.699	10	30		DFEERO
C[C@@H](CNC(=[NH2+])N[C@@H]1CCOc2ccccc21)C(F)(F)F	ZINC000262560268	337619387	/nfs/dbraw/zinc/61/93/87/337619387.db2.gz	WBLZLWQNLMRSAO-GXSJLCMTSA-N	1	0	301.312	2.613	10	30		DFEERO
C[NH+]=C(NCc1csc2ccccc12)NC[C@H]1CCOC1	ZINC000262850703	337621960	/nfs/dbraw/zinc/62/19/60/337621960.db2.gz	WUFRJCFKJDCNMC-GFCCVEGCSA-N	1	0	303.431	2.603	10	30		DFEERO
[NH2+]=C(NCc1cc(Oc2ccc(F)cc2)ccn1)NC1CC1	ZINC000263164551	337625033	/nfs/dbraw/zinc/62/50/33/337625033.db2.gz	PPYPFQUXXQDJEW-UHFFFAOYSA-N	1	0	300.337	2.580	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)NC1CCCC1	ZINC000263274847	337626066	/nfs/dbraw/zinc/62/60/66/337626066.db2.gz	YBLCAEGPTYGKSZ-UHFFFAOYSA-N	1	0	321.396	2.690	10	30		DFEERO
COc1ccccc1/C=[N+](\O)[C@H]1N(C)C(=S)SC1(C)C	ZINC000142936272	398900255	/nfs/dbraw/zinc/90/02/55/398900255.db2.gz	OCOKOWAPTMOWAW-DZZSIBQASA-N	1	0	311.452	2.584	10	30		DFEERO
CC[N@@H+](Cc1ccc(Br)cc1)C[C@@H](C)/C(N)=N/O	ZINC000042445030	183271002	/nfs/dbraw/zinc/27/10/02/183271002.db2.gz	RWPGVDAXUJWOPG-SNVBAGLBSA-N	1	0	314.227	2.654	10	30		DFEERO
N#Cc1ncccc1COc1c(Br)cccc1C[NH3+]	ZINC000061656642	184181356	/nfs/dbraw/zinc/18/13/56/184181356.db2.gz	NIDCZGARBLZJFH-UHFFFAOYSA-N	1	0	318.174	2.753	10	30		DFEERO
N#C[C@@H]1CCCN1C(=O)[C@@H]([NH3+])Cc1ccc(-c2ccccc2)cc1	ZINC000014947610	425776460	/nfs/dbraw/zinc/77/64/60/425776460.db2.gz	JFHXVIXBGWKRGK-OALUTQOASA-N	1	0	319.408	2.738	10	30	in-vitro	DFEERO
NC(=[NH2+])NN=Cc1ccc(-c2ccc(Br)cc2)o1	ZINC000036511910	425846126	/nfs/dbraw/zinc/84/61/26/425846126.db2.gz	VQJXPYNQEGIFED-APSNUPSMSA-N	1	0	307.151	2.526	10	30		DFEERO
CC[NH+]=C(NCc1cc(F)cc2c1OCOC2)N[C@@H](C)C(C)C	ZINC000263276408	427452485	/nfs/dbraw/zinc/45/24/85/427452485.db2.gz	YLJXYIGTGHIUQA-LBPRGKRZSA-N	1	0	323.412	2.792	10	30		DFEERO
C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCc2cccc3[nH]ccc32)C1	ZINC000328686667	334748935	/nfs/dbraw/zinc/74/89/35/334748935.db2.gz	YLMSXDFMVHWMDY-HUUCEWRRSA-N	1	0	314.433	2.697	10	30		DFEERO
C[C@H](CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)N1CCCCC1=O	ZINC000329933648	336097041	/nfs/dbraw/zinc/09/70/41/336097041.db2.gz	QDTKIIUDCILYDJ-OWCLPIDISA-N	1	0	323.481	2.854	10	30		DFEERO
C=C(Br)CNC(NC[C@H]1CCc2ccccc21)=[NH+]C	ZINC000174059020	337139074	/nfs/dbraw/zinc/13/90/74/337139074.db2.gz	ORVDFVRIMHMHGI-CYBMUJFWSA-N	1	0	322.250	2.790	10	30		DFEERO
CC[C@@H](CC[NH+](CC)CC)NC1=CC(=O)C(=O)c2ccccc21	ZINC000584614533	337372647	/nfs/dbraw/zinc/37/26/47/337372647.db2.gz	BHBNAVVHQCXGSD-AWEZNQCLSA-N	1	0	314.429	2.893	10	30		DFEERO
N#Cc1ccc2ncnc(N[C@H]3CC[C@H]([NH+]4CCC4)CC3)c2c1	ZINC000584639925	337379807	/nfs/dbraw/zinc/37/98/07/337379807.db2.gz	NBRSGUHQFSLZAB-SHTZXODSSA-N	1	0	307.401	2.930	10	30		DFEERO
[NH2+]=C(NCc1cc(Cl)sc1Cl)NC[C@H]1CCCO1	ZINC000261970747	337613474	/nfs/dbraw/zinc/61/34/74/337613474.db2.gz	DAZBTYMTHGMJEG-MRVPVSSYSA-N	1	0	308.234	2.638	10	30		DFEERO
C[NH+]=C(NC[C@@H](O)c1ccc(Cl)s1)NC1CCCCC1	ZINC000262429918	337617668	/nfs/dbraw/zinc/61/76/68/337617668.db2.gz	DRMGOSBMUPSXAB-LLVKDONJSA-N	1	0	315.870	2.933	10	30		DFEERO
[NH2+]=C(Nc1ccccn1)N[C@H]1C[C@@H]1c1ccccc1OC(F)F	ZINC000262691064	337620496	/nfs/dbraw/zinc/62/04/96/337620496.db2.gz	CHWGSKZGDABXBO-NEPJUHHUSA-N	1	0	318.327	2.966	10	30		DFEERO
CCc1cccc(CC)c1NC(=[NH2+])NCc1nnc2ccccn21	ZINC000263240297	337625728	/nfs/dbraw/zinc/62/57/28/337625728.db2.gz	KXSXDKPKZJGABD-UHFFFAOYSA-N	1	0	322.416	2.781	10	30		DFEERO
C[NH+](C)CCNc1oc(COc2ccccc2Cl)nc1C#N	ZINC000006637692	181363795	/nfs/dbraw/zinc/36/37/95/181363795.db2.gz	YUGFFQQWLVJCBX-UHFFFAOYSA-N	1	0	320.780	2.752	10	30		DFEERO
CCCCCCCC(=O)c1ccc(CCC([NH3+])(CO)CO)cc1	ZINC000043328051	183355148	/nfs/dbraw/zinc/35/51/48/183355148.db2.gz	RYYJCPQBMBOQBN-UHFFFAOYSA-N	1	0	321.461	2.845	10	30		DFEERO
C=C(Br)CNC(=[NH+]CC)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000156081122	332461688	/nfs/dbraw/zinc/46/16/88/332461688.db2.gz	BNFUGWPRISLJML-BETUJISGSA-N	1	0	314.271	2.983	10	30		DFEERO
O=C(Nc1cnn(C(F)F)c1)[C@@H]1CCC[N@@H+]1C1CCOCC1	ZINC000329763012	336078960	/nfs/dbraw/zinc/07/89/60/336078960.db2.gz	TZRUPAOZZZQTKU-LBPRGKRZSA-N	1	0	314.336	2.510	10	30		DFEERO
C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C[C@H](C)N1CCCCC1=O	ZINC000329933649	336097013	/nfs/dbraw/zinc/09/70/13/336097013.db2.gz	QDTKIIUDCILYDJ-PMPSAXMXSA-N	1	0	323.481	2.854	10	30		DFEERO
C=CCN(CC=C)[C@@H]1C[C@@H](OCc2ccc(OC)cc2)C[C@H]1[NH3+]	ZINC000584614408	337372660	/nfs/dbraw/zinc/37/26/60/337372660.db2.gz	HVYLUHTUNZIPNA-IPMKNSEASA-N	1	0	316.445	2.744	10	30		DFEERO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261808478	337610973	/nfs/dbraw/zinc/61/09/73/337610973.db2.gz	SKSAJXMNRHGNRY-VIQHNZTISA-N	1	0	319.493	2.887	10	30		DFEERO
CC[NH+]=C(NCCC1CCOCC1)N1CCS[C@@H](CC)C1	ZINC000261985162	337613741	/nfs/dbraw/zinc/61/37/41/337613741.db2.gz	RWIFECMMCYCQRI-HNNXBMFYSA-N	1	0	313.511	2.596	10	30		DFEERO
C[NH+]=C(NC[C@@H]1CC1(C)C)N[C@@H]1CCc2cn(C(C)C)nc2C1	ZINC000261988690	337613749	/nfs/dbraw/zinc/61/37/49/337613749.db2.gz	QSWMWTKAEQGOBB-LSDHHAIUSA-N	1	0	317.481	2.532	10	30		DFEERO
COc1ccccc1[C@@]1(C)C[C@H]1NC(=[NH2+])NC1CCCCC1	ZINC000262515173	337618911	/nfs/dbraw/zinc/61/89/11/337618911.db2.gz	FXUUNAGVELRTKI-SJLPKXTDSA-N	1	0	301.434	2.962	10	30		DFEERO
C#CC[C@H]([NH3+])c1cc(Cl)ccc1I	ZINC000236304974	398361847	/nfs/dbraw/zinc/36/18/47/398361847.db2.gz	UTFRAUCDAVUOTM-JTQLQIEISA-N	1	0	305.546	2.968	10	30		DFEERO
C[C@H](CC[N@H+](CCCC#N)Cc1ccccc1)OS(C)(=O)=O	ZINC000034533334	398548848	/nfs/dbraw/zinc/54/88/48/398548848.db2.gz	UISVMMLMWIMNNG-OAHLLOKOSA-N	1	0	324.446	2.547	10	30		DFEERO
CC[NH+](CC)CCN[C@H](C#N)c1ccc(Br)cc1	ZINC000037941011	182940510	/nfs/dbraw/zinc/94/05/10/182940510.db2.gz	MTNDSVNMXPTKBJ-CQSZACIVSA-N	1	0	310.239	2.945	10	30		DFEERO
CC[C@@H](C/C(N)=N/O)[N@H+](C)Cc1csc(Br)c1	ZINC000042362430	183259256	/nfs/dbraw/zinc/25/92/56/183259256.db2.gz	PJWCACHDVQVNTH-VIFPVBQESA-N	1	0	320.256	2.858	10	30		DFEERO
CCCCCCCOc1ccc(CCC([NH3+])(CO)CO)cc1	ZINC000042764775	183305889	/nfs/dbraw/zinc/30/58/89/183305889.db2.gz	KKWWOQPHXWAZME-UHFFFAOYSA-N	1	0	309.450	2.651	10	30		DFEERO
N#CCCN([C@@H](C[NH3+])c1ccccc1Br)C1CC1	ZINC000043093408	183336807	/nfs/dbraw/zinc/33/68/07/183336807.db2.gz	GPUZSYSBECRXGI-AWEZNQCLSA-N	1	0	308.223	2.827	10	30		DFEERO
C[NH2+][C@@H](C)c1ccc(N(CC#N)CC#N)c(Br)c1	ZINC000061694150	184183414	/nfs/dbraw/zinc/18/34/14/184183414.db2.gz	WGVWLRGOLJESET-JTQLQIEISA-N	1	0	307.195	2.583	10	30		DFEERO
C#CCCOc1c(Br)cccc1C[NH2+]CCOC	ZINC000062733779	184251446	/nfs/dbraw/zinc/25/14/46/184251446.db2.gz	YYQOMUAXCYFATP-UHFFFAOYSA-N	1	0	312.207	2.587	10	30		DFEERO
N#Cc1cccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC000247651304	257118535	/nfs/dbraw/zinc/11/85/35/257118535.db2.gz	NFRRUPNZXLMRLU-VQTJNVASSA-N	1	0	318.424	2.802	10	30		DFEERO
C[NH+](C)[C@H]1CC[C@@H](NC(=O)Cc2ccc3c(c2)NC(=O)C3)C1	ZINC000328827090	334762007	/nfs/dbraw/zinc/76/20/07/334762007.db2.gz	QKGIRCHEUDRUPE-KGLIPLIRSA-N	1	0	301.390	2.812	10	30		DFEERO
COc1cnc(NC(=O)N[C@H](C)C[NH+]2CCCCCC2)s1	ZINC000329260728	335957149	/nfs/dbraw/zinc/95/71/49/335957149.db2.gz	YZFXQIVQBWHMJA-LLVKDONJSA-N	1	0	312.439	2.742	10	30		DFEERO
C[C@@H](CC(=O)NCC[N@@H+]1CCCC[C@H]1C)N1CCCCC1=O	ZINC000329949339	336098736	/nfs/dbraw/zinc/09/87/36/336098736.db2.gz	ZWDOZWISONEKQU-CABCVRRESA-N	1	0	309.454	2.608	10	30		DFEERO
C[NH+]=C(NC[C@@H]1CCCCO1)N1CC=C(c2ccccc2)CC1	ZINC000114080837	336401152	/nfs/dbraw/zinc/40/11/52/336401152.db2.gz	BCHWIFQCPAYEFC-SFHVURJKSA-N	1	0	313.445	2.920	10	30		DFEERO
C[NH+]=C(NCc1nc(C)c(C)s1)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261731950	337609307	/nfs/dbraw/zinc/60/93/07/337609307.db2.gz	LQPJOWHPMHRSDS-OKILXGFUSA-N	1	0	306.479	2.957	10	30		DFEERO
C[NH+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCC[C@H](C(F)(F)F)C1	ZINC000261771495	337610091	/nfs/dbraw/zinc/61/00/91/337610091.db2.gz	PFYMTDQTDMNLOU-AGIUHOORSA-N	1	0	321.387	2.557	10	30		DFEERO
CCc1ccc(NC(=[NH2+])NCc2ncc(C(F)(F)F)cn2)cc1	ZINC000263078880	337624061	/nfs/dbraw/zinc/62/40/61/337624061.db2.gz	HLYUGNQDECRMEZ-UHFFFAOYSA-N	1	0	323.322	2.985	10	30		DFEERO
CC[N@H+](CC/C(N)=N/O)Cc1ccc(F)c(Br)c1	ZINC000042452703	183271666	/nfs/dbraw/zinc/27/16/66/183271666.db2.gz	RQDGJHRVTUZUKS-UHFFFAOYSA-N	1	0	318.190	2.547	10	30		DFEERO
CC(C)C[C@](O)(C(=O)CCC#CC[NH+](C)C)c1ccccc1	ZINC000013825173	425761778	/nfs/dbraw/zinc/76/17/78/425761778.db2.gz	RPANYBHEWYYJOE-LJQANCHMSA-N	1	0	301.430	2.835	10	30		DFEERO
C#CCNC(=O)[C@@H]1Cc2cn(C)c3cccc(c23)[C@H](CC(C)C)[NH2+]1	ZINC000049171515	425878772	/nfs/dbraw/zinc/87/87/72/425878772.db2.gz	YICXQQNCOUVWGJ-IRXDYDNUSA-N	1	0	323.440	2.529	10	30		DFEERO
C[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2-c2nccs2)CC[N@@H+]1C	ZINC000329734135	336075213	/nfs/dbraw/zinc/07/52/13/336075213.db2.gz	RFKJVVDTDGVDAM-UWVGGRQHSA-N	1	0	305.407	2.852	10	30		DFEERO
CCc1nn(C)cc1NC(=O)N[C@H](C)C[NH+]1CCCCCC1	ZINC000330122943	336115692	/nfs/dbraw/zinc/11/56/92/336115692.db2.gz	BYZANOHJBALSGQ-CYBMUJFWSA-N	1	0	307.442	2.573	10	30		DFEERO
C[NH+]=C(NCC1(CCO)CCCC1)N1C[C@@H]2CCCC[C@H]2C1	ZINC000261654759	337607457	/nfs/dbraw/zinc/60/74/57/337607457.db2.gz	FKIWBGXULXYWTD-HOTGVXAUSA-N	1	0	307.482	2.627	10	30		DFEERO
C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)N1C[C@@H]2CCCC[C@@H]2C1	ZINC000261808470	337610949	/nfs/dbraw/zinc/61/09/49/337610949.db2.gz	SKSAJXMNRHGNRY-NNXHMXCWSA-N	1	0	319.493	2.887	10	30		DFEERO
C[NH+]=C(NCc1ccco1)N[C@@H]1COc2cccc(Cl)c21	ZINC000262298910	337616661	/nfs/dbraw/zinc/61/66/61/337616661.db2.gz	PPRQUBXBRZHEGL-GFCCVEGCSA-N	1	0	305.765	2.732	10	30		DFEERO
COc1ccccc1[C@]1(C)C[C@H]1NC(=[NH2+])N1CCC[C@H](C)C1	ZINC000262537915	337619119	/nfs/dbraw/zinc/61/91/19/337619119.db2.gz	QNMOBOJDHLZJCX-XCRHUMRWSA-N	1	0	301.434	2.772	10	30		DFEERO
C[NH+]=C(NCCC1CCOCC1)N[C@@H]1CCC[C@H](SC)C1	ZINC000262790783	337621247	/nfs/dbraw/zinc/62/12/47/337621247.db2.gz	NUARPNVQIJPVLQ-CABCVRRESA-N	1	0	313.511	2.642	10	30		DFEERO
CCCN1C(=S)SC(C)(C)[C@@H]1/[N+](O)=C/c1cccnc1	ZINC000225404269	398348436	/nfs/dbraw/zinc/34/84/36/398348436.db2.gz	QVDFZVRHAJDBAV-LBPRGKRZSA-N	1	0	310.468	2.751	10	30		DFEERO
C/[N+](O)=C/c1ccc(O)c(Cc2c(F)cccc2Cl)c1O	ZINC000052533793	398845022	/nfs/dbraw/zinc/84/50/22/398845022.db2.gz	GWNIQACQNPIUGH-UHFFFAOYSA-O	1	0	310.732	2.932	10	30		DFEERO
C=CCNC(=O)[C@H](C)[NH2+]CCc1ccc(Cl)cc1Cl	ZINC000020315893	182205872	/nfs/dbraw/zinc/20/58/72/182205872.db2.gz	QPYHSVNFIWGFCC-JTQLQIEISA-N	1	0	301.217	2.816	10	30		DFEERO
CC[N@@H+](Cc1cccc(Br)c1)C[C@@H](C)/C(N)=N/O	ZINC000042444985	183271068	/nfs/dbraw/zinc/27/10/68/183271068.db2.gz	GXZPRAHKBFOXBW-SNVBAGLBSA-N	1	0	314.227	2.654	10	30		DFEERO
CC[C@H](C/C(N)=N/O)[N@H+](C)Cc1csc(Br)c1	ZINC000042362435	183259237	/nfs/dbraw/zinc/25/92/37/183259237.db2.gz	PJWCACHDVQVNTH-SECBINFHSA-N	1	0	320.256	2.858	10	30		DFEERO
CC[C@H]([NH3+])[C@H](c1ccc(Br)cc1)N(CC#N)CC#N	ZINC000042952542	183320304	/nfs/dbraw/zinc/32/03/04/183320304.db2.gz	CMWZKQBWYRFTFA-KBPBESRZSA-N	1	0	321.222	2.577	10	30		DFEERO
Cc1c[nH+]c(C)n1C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1	ZINC000575556921	430085065	/nfs/dbraw/zinc/08/50/65/430085065.db2.gz	DVNVGVQCKPCRJN-MRXNPFEDSA-N	1	0	308.385	2.534	10	30		DFEERO
COc1c(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)c(C)nn1C	ZINC000329684879	336044463	/nfs/dbraw/zinc/04/44/63/336044463.db2.gz	YGSZBNRDXAQBQA-OAHLLOKOSA-N	1	0	320.437	2.601	10	30		DFEERO
O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1ncoc1[C@H]1CCCO1	ZINC000329903668	336093943	/nfs/dbraw/zinc/09/39/43/336093943.db2.gz	IMZVHDQIVBCUFJ-UONOGXRCSA-N	1	0	319.405	2.848	10	30		DFEERO
CC(C)[N@@H+]1CCC[C@H](CNC(=O)C[C@H](C)N2CCCCC2=O)C1	ZINC000329943856	336098053	/nfs/dbraw/zinc/09/80/53/336098053.db2.gz	WKWXALFDGYYVQZ-JKSUJKDBSA-N	1	0	323.481	2.854	10	30		DFEERO
C=CCN(CC=C)[C@@H]1C[C@@H](OCc2ccc(OC)cc2)C[C@@H]1[NH3+]	ZINC000584614405	337372623	/nfs/dbraw/zinc/37/26/23/337372623.db2.gz	HVYLUHTUNZIPNA-GBESFXJTSA-N	1	0	316.445	2.744	10	30		DFEERO
C[NH+]=C(NCC(F)F)N1CC=C(c2cccc(OC)c2)CC1	ZINC000261869857	337611837	/nfs/dbraw/zinc/61/18/37/337611837.db2.gz	ZOOFQOWEMLIQBU-UHFFFAOYSA-N	1	0	309.360	2.625	10	30		DFEERO
[NH2+]=C(NCCc1c[nH]c2ccc(Br)cc12)NC1CC1	ZINC000262163590	337615697	/nfs/dbraw/zinc/61/56/97/337615697.db2.gz	BKEZHBCUNAKWLV-UHFFFAOYSA-N	1	0	321.222	2.540	10	30		DFEERO
CC[NH+]=C(NC[C@H](O)c1ccc(Cl)s1)NC(C)(C)C	ZINC000262800370	337621336	/nfs/dbraw/zinc/62/13/36/337621336.db2.gz	QXPDONTXJVMART-VIFPVBQESA-N	1	0	303.859	2.789	10	30		DFEERO
COc1ccc(NC(=[NH2+])N[C@@H]2C[C@@H]3OCCC[C@@H]23)cc1Cl	ZINC000262822039	337621642	/nfs/dbraw/zinc/62/16/42/337621642.db2.gz	PVSQFGLEJMJJDH-SUHUHFCYSA-N	1	0	309.797	2.643	10	30		DFEERO