smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000057774436	195360265	/nfs/dbraw/zinc/36/02/65/195360265.db2.gz	HNDFKJNTUOKCBK-BWKNWUBXSA-N	2	0	452.574	3.955	40	0		JHABRP
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@@H](C)N5)cc4)cc3)cc2)N1	ZINC000001687836	553982929	/nfs/dbraw/zinc/98/29/29/553982929.db2.gz	WKZMKLCYEASVOS-QZTJIDSGSA-N	2	0	480.572	3.668	40	0		JHABRP
COc1ccc([C@H]2CN(CC(=O)NC(c3ccccc3)c3ccccc3)[C@@H]3CC[NH2+]C[C@@H]32)cc1	ZINC000257298519	570137874	/nfs/dbraw/zinc/13/78/74/570137874.db2.gz	RMBJJNMVMFSOBU-ZONZVBGPSA-N	2	0	455.602	3.978	40	0		JHABRP
C[N@H+](Cc1ccc(F)cc1)C[C@]1(O)CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257269249	570129410	/nfs/dbraw/zinc/12/94/10/570129410.db2.gz	MPFCJPKURYKDCI-HHHXNRCGSA-N	2	0	453.602	3.523	40	0		JHABRP
C[C@@H]([NH2+]C[C@H](O)COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000036007013	569747652	/nfs/dbraw/zinc/74/76/52/569747652.db2.gz	GMVQSYNITLQCBC-CEWHCAETSA-N	2	0	464.606	3.868	40	0		JHABRP
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(OC[C@H](O)C[NH2+][C@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000102708022	569816855	/nfs/dbraw/zinc/81/68/55/569816855.db2.gz	GMVQSYNITLQCBC-SAZLYLDSSA-N	2	0	464.606	3.868	40	0		JHABRP
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3ccc4[nH]ccc4c3)CCO2)CC1	ZINC000257322552	570145299	/nfs/dbraw/zinc/14/52/99/570145299.db2.gz	WGKLDMJEQPBVOB-MHZLTWQESA-N	2	0	497.039	3.635	40	0		JHABRP
CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000057774433	195360162	/nfs/dbraw/zinc/36/01/62/195360162.db2.gz	HNDFKJNTUOKCBK-SQJMNOBHSA-N	2	0	452.574	3.955	40	0		JHABRP
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2c(C)ccc(C)c2[nH]c1=O	ZINC000006193080	520620314	/nfs/dbraw/zinc/62/03/14/520620314.db2.gz	RWWRXZULIDENLO-UHFFFAOYSA-N	2	0	473.731	3.895	40	0		JHABRP
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000009075855	554886958	/nfs/dbraw/zinc/88/69/58/554886958.db2.gz	GMVQSYNITLQCBC-USXZWKKNSA-N	2	0	464.606	3.868	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCCN3)cc2)cc1	ZINC000000538108	193858236	/nfs/dbraw/zinc/85/82/36/193858236.db2.gz	GNXXAEZDXSNKMT-UHFFFAOYSA-N	2	0	480.572	3.671	40	0		JHABRP
CC(=O)Nc1ccc(C[NH+]2CCC([C@H]3C[C@@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000057774438	195360327	/nfs/dbraw/zinc/36/03/27/195360327.db2.gz	HNDFKJNTUOKCBK-PXDATVDWSA-N	2	0	452.574	3.955	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1Cl	ZINC000001698490	553983193	/nfs/dbraw/zinc/98/31/93/553983193.db2.gz	NCAYAGIIEDOYCS-UHFFFAOYSA-N	2	0	486.963	3.544	40	0		JHABRP
CCOC(=O)c1sc2sc(C(=O)OCC)c(C[NH2+]CCCOC)c2c1C[NH2+]CCCOC	ZINC000013563242	555498110	/nfs/dbraw/zinc/49/81/10/555498110.db2.gz	BQVWBGYOOCIUBS-UHFFFAOYSA-N	2	0	486.656	3.568	40	0		JHABRP
C[NH+](C)CCNC(=O)c1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1	ZINC000257329369	570147357	/nfs/dbraw/zinc/14/73/57/570147357.db2.gz	XJRZUTBERIYRQF-RUZDIDTESA-N	2	0	475.637	3.764	40	0		JHABRP
OCC[NH2+]CCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1	ZINC000019366087	527553889	/nfs/dbraw/zinc/55/38/89/527553889.db2.gz	QQSBRRVYKYFYQA-UHFFFAOYSA-N	2	0	480.600	3.898	40	0		JHABRP
C[C@@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@H](C)N5)cc4)cc3)cc2)N1	ZINC000017315282	556256981	/nfs/dbraw/zinc/25/69/81/556256981.db2.gz	WKZMKLCYEASVOS-HDICACEKSA-N	2	0	480.572	3.668	40	0		JHABRP
C[N@H+](Cc1ccc(F)cc1)C[C@@]1(O)CCN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1	ZINC000257269250	570129417	/nfs/dbraw/zinc/12/94/17/570129417.db2.gz	MPFCJPKURYKDCI-MHZLTWQESA-N	2	0	453.602	3.523	40	0		JHABRP
CSc1cc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)ccc1C(=O)Nc1ccc(C2=[NH+]CCN2)cc1	ZINC000001698491	525933750	/nfs/dbraw/zinc/93/37/50/525933750.db2.gz	IDDODVNWHPPDDC-UHFFFAOYSA-N	2	0	498.612	3.613	40	0		JHABRP
C[C@H]1C[NH+]=C(c2ccc(NC(=O)c3ccc(C(=O)Nc4ccc(C5=[NH+]C[C@H](C)N5)cc4)cc3)cc2)N1	ZINC000001687833	553982984	/nfs/dbraw/zinc/98/29/84/553982984.db2.gz	WKZMKLCYEASVOS-ROUUACIJSA-N	2	0	480.572	3.668	40	0		JHABRP
COc1cc(C[N@H+](C)C[C@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCC[NH+](C)C	ZINC000257234010	570118320	/nfs/dbraw/zinc/11/83/20/570118320.db2.gz	GRSAHDFRCSULTH-IBGZPJMESA-N	2	0	494.558	3.887	40	0		JHABRP
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3ccc4[nH]ccc4c3)CCO2)CC1	ZINC000257322551	570145236	/nfs/dbraw/zinc/14/52/36/570145236.db2.gz	WGKLDMJEQPBVOB-HHHXNRCGSA-N	2	0	497.039	3.635	40	0		JHABRP
Cc1cc(C2=[NH+]CCN2)ccc1NC(=O)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2C)cc1	ZINC000001692399	194131699	/nfs/dbraw/zinc/13/16/99/194131699.db2.gz	RDEOEKYEJMBYSF-UHFFFAOYSA-N	2	0	480.572	3.508	40	0		JHABRP
C[C@@H]([NH2+]C[C@@H](O)COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000102708024	569816907	/nfs/dbraw/zinc/81/69/07/569816907.db2.gz	GMVQSYNITLQCBC-QMWXCIFZSA-N	2	0	464.606	3.868	40	0		JHABRP
COc1cc(C[N@H+](C)C[C@@H](O)Cn2c3ccccc3nc2C(F)(F)F)ccc1OCCC[NH+](C)C	ZINC000257234011	570118248	/nfs/dbraw/zinc/11/82/48/570118248.db2.gz	GRSAHDFRCSULTH-LJQANCHMSA-N	2	0	494.558	3.887	40	0		JHABRP
C[N@@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1cccc(CN3CCOCC3)c1)[C@@H]2O	ZINC000257235302	570118725	/nfs/dbraw/zinc/11/87/25/570118725.db2.gz	GXGHCGXDHARVRL-SXEGYFPYSA-N	2	0	463.666	3.974	40	0		JHABRP
O=C(Nc1ccc(NC(=O)Nc2cccc(C3=[NH+]CCN3)c2)cc1)Nc1cccc(C2=[NH+]CCN2)c1	ZINC000001687830	553982925	/nfs/dbraw/zinc/98/29/25/553982925.db2.gz	RWTMAFSCWWTMJI-UHFFFAOYSA-N	2	0	482.548	3.674	40	0		JHABRP
COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000023469504	556073457	/nfs/dbraw/zinc/07/34/57/556073457.db2.gz	FFJNLNBLKJYVOY-AWEZNQCLSA-N	2	0	457.796	3.750	40	0		JHABRP
COc1ccc(C[N@H+](C)C[C@@]2(O)CCN(Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1	ZINC000257324598	570145836	/nfs/dbraw/zinc/14/58/36/570145836.db2.gz	WPJWWOWPOUTAGQ-NDEPHWFRSA-N	2	0	467.654	3.629	40	0		JHABRP
Cc1ccccc1[C@@H]1C[NH+](CC(=O)N(C)C[C@@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1c1csnn1	ZINC000057774158	195359811	/nfs/dbraw/zinc/35/98/11/195359811.db2.gz	ODUTYYZIAAVEMR-ACIOBRDBSA-N	2	0	455.672	3.608	40	0		JHABRP
CCOc1ccc2[nH]c(=O)c(CN(CC[NH+](CC)CC)C(=S)NCCC[NH+](CC)CC)cc2c1	ZINC000006193084	554517047	/nfs/dbraw/zinc/51/70/47/554517047.db2.gz	GIKJIPAXPPNEAO-UHFFFAOYSA-N	2	0	489.730	3.677	40	0		JHABRP
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1	ZINC000257301781	570138874	/nfs/dbraw/zinc/13/88/74/570138874.db2.gz	RZWUKDPYYVGSOC-NSOVKSMOSA-N	2	0	457.618	3.989	40	0		JHABRP
C[NH+](C)CCNC(=O)c1cccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1	ZINC000257309069	570141007	/nfs/dbraw/zinc/14/10/07/570141007.db2.gz	TZKDGFLUESRCAQ-RUZDIDTESA-N	2	0	475.637	3.764	40	0		JHABRP
CN1CCN(C(=O)C[C@]2(COc3ccc(Cl)cc3)CN(Cc3cccc(Cl)c3)CCO2)CC1	ZINC000257341253	570150735	/nfs/dbraw/zinc/15/07/35/570150735.db2.gz	ZJNXILZQPGDMDA-RUZDIDTESA-N	2	0	492.447	3.808	40	0		JHABRP
CC(=O)Nc1ccc(C[NH+]2CCC([C@@H]3C[C@H](C(=O)Nc4ccc(F)cc4)C[N@H+]3C)CC2)cc1	ZINC000057774430	195360205	/nfs/dbraw/zinc/36/02/05/195360205.db2.gz	HNDFKJNTUOKCBK-OFVILXPXSA-N	2	0	452.574	3.955	40	0		JHABRP
C[NH+](C)CCNC(=O)c1cccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)c1	ZINC000257309070	570140968	/nfs/dbraw/zinc/14/09/68/570140968.db2.gz	TZKDGFLUESRCAQ-VWLOTQADSA-N	2	0	475.637	3.764	40	0		JHABRP
COc1cc(CNCC[NH2+]C[C@H](C)O)cc(Br)c1OCc1ccccc1Cl	ZINC000023469515	556073627	/nfs/dbraw/zinc/07/36/27/556073627.db2.gz	FKRZEXLZYYMERF-AWEZNQCLSA-N	2	0	457.796	3.750	40	0		JHABRP
[NH3+]CCCN(CCCCN(CCC[NH3+])C(=O)OCc1ccccc1)C(=O)OCc1ccccc1	ZINC000005834418	194407638	/nfs/dbraw/zinc/40/76/38/194407638.db2.gz	UPZFNXVELQDDDA-UHFFFAOYSA-N	2	0	470.614	3.742	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)Nc1cccc(NC(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	ZINC000001687829	553982892	/nfs/dbraw/zinc/98/28/92/553982892.db2.gz	ICLREFSFDNXPGI-UHFFFAOYSA-N	2	0	482.548	3.674	40	0		JHABRP
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1	ZINC000257301782	570138920	/nfs/dbraw/zinc/13/89/20/570138920.db2.gz	RZWUKDPYYVGSOC-VSGBNLITSA-N	2	0	457.618	3.989	40	0		JHABRP
NC(=[NH2+])c1ccc(OCCCOc2ccc(C(N)=[NH2+])cc2Br)c(Br)c1	ZINC000001665651	194130789	/nfs/dbraw/zinc/13/07/89/194130789.db2.gz	GMJFVGRUYJHMCO-UHFFFAOYSA-N	2	0	470.165	3.628	40	0	in-man	JHABRP
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)cc(C)c2[nH]c1=O	ZINC000006193082	520620378	/nfs/dbraw/zinc/62/03/78/520620378.db2.gz	NQVPAWIJWWWIJR-UHFFFAOYSA-N	2	0	473.731	3.895	40	0		JHABRP
CC[NH+](CC)CCCNC(=S)N(CC[NH+](CC)CC)Cc1cc2cc(C)c(C)cc2[nH]c1=O	ZINC000006193081	520620690	/nfs/dbraw/zinc/62/06/90/520620690.db2.gz	VUPFXRIFVXNANV-UHFFFAOYSA-N	2	0	473.731	3.895	40	0		JHABRP
COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccccc1Cl	ZINC000023469513	556073546	/nfs/dbraw/zinc/07/35/46/556073546.db2.gz	FKRZEXLZYYMERF-CQSZACIVSA-N	2	0	457.796	3.750	40	0		JHABRP
COc1ccc(CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1	ZINC000257301783	570139018	/nfs/dbraw/zinc/13/90/18/570139018.db2.gz	RZWUKDPYYVGSOC-WUFINQPMSA-N	2	0	457.618	3.989	40	0		JHABRP
COc1ccc(C[N@H+](C)C[C@]2(O)CCN(Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)cc1	ZINC000257324597	570145799	/nfs/dbraw/zinc/14/57/99/570145799.db2.gz	WPJWWOWPOUTAGQ-MUUNZHRXSA-N	2	0	467.654	3.629	40	0		JHABRP
C[NH+](C)CCNC(=O)c1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](CCOCc3ccccc3)C2)cc1	ZINC000257329370	570147362	/nfs/dbraw/zinc/14/73/62/570147362.db2.gz	XJRZUTBERIYRQF-VWLOTQADSA-N	2	0	475.637	3.764	40	0		JHABRP
O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2ccc(F)cc2)N1	ZINC000257231398	570117387	/nfs/dbraw/zinc/11/73/87/570117387.db2.gz	GGNLCSULHCSRFZ-RPLLCQBOSA-N	2	0	451.586	3.939	40	0		JHABRP
CC[NH+](CC)CCCNC(=S)N(CCC[NH+](CC)CC)Cc1cc2ccc(OC)cc2[nH]c1=O	ZINC000006193054	520619878	/nfs/dbraw/zinc/61/98/78/520619878.db2.gz	UXEXJERCAKXEDN-UHFFFAOYSA-N	2	0	489.730	3.677	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(Cl)c(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	ZINC000001694053	553983298	/nfs/dbraw/zinc/98/32/98/553983298.db2.gz	JLZYNCFEAOBCAX-UHFFFAOYSA-N	2	0	486.963	3.544	40	0		JHABRP
Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+]2CCCC2)C3)no1	ZINC000049171954	524924048	/nfs/dbraw/zinc/92/40/48/524924048.db2.gz	UQLQGWBKZKUBBQ-ZEQRLZLVSA-N	2	0	463.626	3.800	40	0	biogenic,in-vitro	JHABRP
O=C(Nc1cccc(NC(=O)Nc2cccc(C3=[NH+]CCN3)c2)c1)Nc1cccc(C2=[NH+]CCN2)c1	ZINC000001687831	553982964	/nfs/dbraw/zinc/98/29/64/553982964.db2.gz	ODPUIEUXEPOPIJ-UHFFFAOYSA-N	2	0	482.548	3.674	40	0		JHABRP
O=C(Nc1cccc(C2=[NH+]CCCN2)c1)c1ccc(C(=O)Nc2cccc(C3=[NH+]CCCN3)c2)cc1	ZINC000001687843	553982969	/nfs/dbraw/zinc/98/29/69/553982969.db2.gz	JKIPUAXRKVBEKV-UHFFFAOYSA-N	2	0	480.572	3.671	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCCN2)cc1)c1ccc(NC(=O)c2ccc(C3=[NH+]CCCN3)cc2)cc1	ZINC000001694624	553983165	/nfs/dbraw/zinc/98/31/65/553983165.db2.gz	ZYTXAYPACXQHQJ-UHFFFAOYSA-N	2	0	480.572	3.671	40	0		JHABRP
CN1CC[NH+]=C1c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(C4=[NH+]CCN4C)cc3)cc2)cc1	ZINC000001694045	523931050	/nfs/dbraw/zinc/93/10/50/523931050.db2.gz	LQNZJDKQXRYRHB-UHFFFAOYSA-N	2	0	480.572	3.575	40	0		JHABRP
O=C(Nc1cccc(C2=[NH+]CCN2)c1)c1ccc(C(=O)Nc2cccc(C3=[NH+]CCN3)c2)c(Cl)c1	ZINC000001670605	194131086	/nfs/dbraw/zinc/13/10/86/194131086.db2.gz	NAECRWNFCKTVNC-UHFFFAOYSA-N	2	0	486.963	3.544	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1ccc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c(Cl)c1	ZINC000000538110	553711109	/nfs/dbraw/zinc/71/11/09/553711109.db2.gz	UJQGBYRKCZQJJS-UHFFFAOYSA-N	2	0	486.963	3.544	40	0		JHABRP
Cc1ccccc1[C@@H]1C[NH+](CC(=O)N(C)C[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1c1csnn1	ZINC000057774162	195359862	/nfs/dbraw/zinc/35/98/62/195359862.db2.gz	ODUTYYZIAAVEMR-AKIFATBCSA-N	2	0	455.672	3.608	40	0		JHABRP
O=C(Nc1ccc(NC(=O)Nc2ccc(C3=[NH+]CCN3)cc2)cc1)Nc1ccc(C2=[NH+]CCN2)cc1	ZINC000001687828	553982907	/nfs/dbraw/zinc/98/29/07/553982907.db2.gz	WQMAMSCWVYBLPC-UHFFFAOYSA-N	2	0	482.548	3.674	40	0		JHABRP
O=C1CCC[C@]2(C[N@@H+](Cc3ccccc3OCC[NH+]3CCCC3)C[C@H]2c2cccc(F)c2)N1	ZINC000257211551	570111597	/nfs/dbraw/zinc/11/15/97/570111597.db2.gz	BZICTRQZKJFNLT-RPLLCQBOSA-N	2	0	451.586	3.939	40	0		JHABRP
COc1ccc(CCNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2cccc(C[NH2+]Cc3ccccc3)c2)cc1	ZINC000257301780	570138954	/nfs/dbraw/zinc/13/89/54/570138954.db2.gz	RZWUKDPYYVGSOC-IZLXSDGUSA-N	2	0	457.618	3.989	40	0		JHABRP
O=C(CCCCCCCC(=O)Nc1cccc(C2=[NH+]CCN2)c1)Nc1cccc(C2=[NH+]CCN2)c1	ZINC000004721211	526421680	/nfs/dbraw/zinc/42/16/80/526421680.db2.gz	HDXWIEHPNIEVPE-UHFFFAOYSA-N	2	0	474.609	3.694	40	0		JHABRP
COc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1	ZINC000023469503	556073420	/nfs/dbraw/zinc/07/34/20/556073420.db2.gz	FFJNLNBLKJYVOY-CQSZACIVSA-N	2	0	457.796	3.750	40	0		JHABRP
Cc1cc(C(=O)N(C)C)nc(C2(C)CC[NH+](Cc3ccccc3OCC[NH+]3CCCC3)CC2)n1	ZINC000257282199	570133289	/nfs/dbraw/zinc/13/32/89/570133289.db2.gz	OSVDVNUTMPFYSD-UHFFFAOYSA-N	2	0	465.642	3.515	40	0		JHABRP
O=C(Nc1ccc(C2=[NH+]CCN2)cc1)c1cc(Cl)cc(C(=O)Nc2ccc(C3=[NH+]CCN3)cc2)c1	ZINC000001670606	194131126	/nfs/dbraw/zinc/13/11/26/194131126.db2.gz	QZEMARSKUQKHRY-UHFFFAOYSA-N	2	0	486.963	3.544	40	0		JHABRP
C[N@@H+]1[C@@H](c2ccccc2)C[C@]2(C)[C@H]1CCC[C@@H]([NH2+]Cc1ccc(OCCN3CCOCC3)cc1)[C@@H]2O	ZINC000257326955	570146657	/nfs/dbraw/zinc/14/66/57/570146657.db2.gz	WZGCYAKNAAUQAY-PZXNIVHWSA-N	2	0	493.692	3.852	40	0		JHABRP
C[C@H]([NH2+]C[C@@H](O)COc1ccc(OC[C@H](O)C[NH2+][C@@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000009075854	554886944	/nfs/dbraw/zinc/88/69/44/554886944.db2.gz	GMVQSYNITLQCBC-CNXCYTMISA-N	2	0	464.606	3.868	40	0		JHABRP
C[C@@H]([NH2+]C[C@H](O)COc1ccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccc2)cc1)c1ccccc1	ZINC000102708026	569816721	/nfs/dbraw/zinc/81/67/21/569816721.db2.gz	GMVQSYNITLQCBC-PWGHIRGTSA-N	2	0	464.606	3.868	40	0		JHABRP
CN1CCN(C(=O)C[C@@]2(COc3ccc(Cl)cc3)CN(Cc3cccc(Cl)c3)CCO2)CC1	ZINC000257341254	570150694	/nfs/dbraw/zinc/15/06/94/570150694.db2.gz	ZJNXILZQPGDMDA-VWLOTQADSA-N	2	0	492.447	3.808	40	0		JHABRP
NC(=[NH2+])c1ccc(OCCCCCCOc2ccc(C(N)=[NH2+])cc2I)cc1	ZINC000001667022	194130884	/nfs/dbraw/zinc/13/08/84/194130884.db2.gz	DXAJHYNCKDFWAU-UHFFFAOYSA-N	2	0	480.350	3.878	40	0		JHABRP
CNC(=[NH2+])c1ccc(NC(=O)/C=C\c2ccc(C(=O)Nc3ccc(C(=[NH2+])NC)cc3)cc2)cc1	ZINC000004758225	194395164	/nfs/dbraw/zinc/39/51/64/194395164.db2.gz	HQFBLIRTRNJVCH-BNCCVWRVSA-N	2	0	454.534	3.680	40	0		JHABRP
Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)[NH2+][C@H](C(=O)NCC[NH+](C)C)C2	ZINC000049171805	526538866	/nfs/dbraw/zinc/53/88/66/526538866.db2.gz	KPMKVGIORQRTTI-GOTSBHOMSA-N	2	0	451.615	3.574	40	0	biogenic,in-vitro	JHABRP