smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1C[C@H]([NH2+]Cc2cccc3c2OCO3)CCC[C@@H](C(=O)N2CC[NH+](C)CC2)CC1=O	ZINC000225406244	291322415	/nfs/dbraw/zinc/32/24/15/291322415.db2.gz	ZPAOLZRGOZXFQI-IEBWSBKVSA-N	2	1	430.549	1.296	40	0	biogenic,in-vitro	IDABMP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](C[C@@H]3CCOC3)C[C@H]2C1=O	ZINC000019526394	556784550	/nfs/dbraw/zinc/78/45/50/556784550.db2.gz	QSWFTKBHJKEMNY-WXVUKLJWSA-N	2	1	428.577	1.832	40	0		IDABMP
C[N@@H+]1CCCN([C@H]2CC[NH+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257286177	568705085	/nfs/dbraw/zinc/70/50/85/568705085.db2.gz	PKPCNSVGHBQDFG-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257286177	568705087	/nfs/dbraw/zinc/70/50/87/568705087.db2.gz	PKPCNSVGHBQDFG-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257286177	568705090	/nfs/dbraw/zinc/70/50/90/568705090.db2.gz	PKPCNSVGHBQDFG-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccc(C(C)(C)C)cc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257286177	568705093	/nfs/dbraw/zinc/70/50/93/568705093.db2.gz	PKPCNSVGHBQDFG-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
O=C(C[N@@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000019292032	556731815	/nfs/dbraw/zinc/73/18/15/556731815.db2.gz	YAGQAUIBQFIUHU-IBGZPJMESA-N	2	1	427.593	1.846	40	0		IDABMP
O=C(C[N@H+]1CC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000019292032	556731818	/nfs/dbraw/zinc/73/18/18/556731818.db2.gz	YAGQAUIBQFIUHU-IBGZPJMESA-N	2	1	427.593	1.846	40	0		IDABMP
O=S(=O)(c1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000585290708	557227991	/nfs/dbraw/zinc/22/79/91/557227991.db2.gz	UMDTYBQBZJYJSO-PKTZIBPZSA-N	2	1	445.585	1.037	40	0		IDABMP
C[NH+](C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C	ZINC000057773636	557265693	/nfs/dbraw/zinc/26/56/93/557265693.db2.gz	ACRIGBFMNDEZDD-VXKWHMMOSA-N	2	1	438.572	1.627	40	0		IDABMP
CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)Cn3cc[nH+]c3CC)CC1)C2=O	ZINC000019700695	569231264	/nfs/dbraw/zinc/23/12/64/569231264.db2.gz	AXBJKIIMMSWJMN-UHFFFAOYSA-N	2	1	444.580	1.481	40	0		IDABMP
COCCNC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CN(C)Cc2ccccc2)nn1	ZINC000008297667	291323283	/nfs/dbraw/zinc/32/32/83/291323283.db2.gz	LMEHBIVBZPVUFM-FCEUIQTBSA-N	2	1	426.565	1.383	40	0	biogenic,in-vitro	IDABMP
Cc1ccc2[nH]c(=O)c(CN(CC[NH+](C)C)C(=S)NCCC[NH+]3CCOCC3)cc2c1	ZINC000006408147	556834533	/nfs/dbraw/zinc/83/45/33/556834533.db2.gz	KPCTZBBQYNNDFV-UHFFFAOYSA-N	2	1	445.633	1.797	40	0		IDABMP
COc1cc(C[N@H+]2CCC[C@H]3OC[C@@H](NC(C)=O)[C@](C)(O)C[C@H]32)ccc1OCC[NH+](C)C	ZINC000257227102	556708614	/nfs/dbraw/zinc/70/86/14/556708614.db2.gz	FNQMZSSHBFVZLW-FAYOUJPWSA-N	2	1	449.592	1.645	40	0		IDABMP
CN(C)c1cc(N2CC[C@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1	ZINC000257310667	556718483	/nfs/dbraw/zinc/71/84/83/556718483.db2.gz	UGAQYVHUZKMQAI-QHCPKHFHSA-N	2	1	428.581	1.556	40	0		IDABMP
CN1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](CC(C)(C)CN2CC[NH+](C)CC2)CC=CC3)CC1	ZINC000023093266	557063126	/nfs/dbraw/zinc/06/31/26/557063126.db2.gz	UBXDXFKSRVHODZ-RCZVLFRGSA-N	2	1	431.669	1.835	40	0		IDABMP
C[NH+](C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@@H]1C[NH+](C)C	ZINC000057773628	557265440	/nfs/dbraw/zinc/26/54/40/557265440.db2.gz	ACRIGBFMNDEZDD-FCHUYYIVSA-N	2	1	438.572	1.627	40	0		IDABMP
Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@@](O)(CN4CC[NH+](C)CC4)C3)cc2)n1	ZINC000585271353	568618108	/nfs/dbraw/zinc/61/81/08/568618108.db2.gz	WVPMLTWIHMUXQR-XMMPIXPASA-N	2	1	427.593	1.763	40	0		IDABMP
Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CC[C@@](O)(CN4CC[NH+](C)CC4)C3)cc2)n1	ZINC000585271353	568618110	/nfs/dbraw/zinc/61/81/10/568618110.db2.gz	WVPMLTWIHMUXQR-XMMPIXPASA-N	2	1	427.593	1.763	40	0		IDABMP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@@H]3CCC[N@@H+](C)C3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257277215	568700689	/nfs/dbraw/zinc/70/06/89/568700689.db2.gz	NWXNCKHJLZEZIC-DJOPODEESA-N	2	1	442.648	1.933	40	0		IDABMP
C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@H+](Cc2ccc(N4CCOCC4)nc2)CC=CC3)CC1	ZINC000019589778	556824548	/nfs/dbraw/zinc/82/45/48/556824548.db2.gz	SMFMGXBDJLBPMF-RCZVLFRGSA-N	2	1	439.604	1.993	40	0		IDABMP
C[NH+]1CCN(C(=O)[C@]23CCC[C@H]2[N@@H+](Cc2ccc(N4CCOCC4)nc2)CC=CC3)CC1	ZINC000019589778	556824550	/nfs/dbraw/zinc/82/45/50/556824550.db2.gz	SMFMGXBDJLBPMF-RCZVLFRGSA-N	2	1	439.604	1.993	40	0		IDABMP
CC(=O)N1CCN(C[C@]2(O)CC[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)CC1	ZINC000585271786	557216389	/nfs/dbraw/zinc/21/63/89/557216389.db2.gz	HRNMUYXEMYLIHO-RUZDIDTESA-N	2	1	444.620	1.652	40	0		IDABMP
COc1cc(C[N@H+]2C[C@H](O)[C@@H](N3CCOCC3)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585272001	557216815	/nfs/dbraw/zinc/21/68/15/557216815.db2.gz	IFRXWIFEQHFGOE-VXKWHMMOSA-N	2	1	433.593	1.683	40	0		IDABMP
Cc1[nH+]ccn1CCC1CC[NH+](C[C@]2(O)CN(S(=O)(=O)c3ccccc3)C[C@H]2O)CC1	ZINC000585290751	557228012	/nfs/dbraw/zinc/22/80/12/557228012.db2.gz	DRCXDXDUUQNECO-YADHBBJMSA-N	2	1	448.589	1.090	40	0		IDABMP
Cc1ccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c2c1	ZINC000006409555	556834921	/nfs/dbraw/zinc/83/49/21/556834921.db2.gz	IFNZADPHWXZAEI-UHFFFAOYSA-N	2	1	445.633	1.797	40	0		IDABMP
C[NH+]1CCC(C(=O)N2CC[C@H](Oc3ccccc3)[C@@H](CC(=O)N3CC[NH+](C)CC3)C2)CC1	ZINC000257258717	568692670	/nfs/dbraw/zinc/69/26/70/568692670.db2.gz	KVFCLPJMOZBPRY-GMAHTHKFSA-N	2	1	442.604	1.788	40	0		IDABMP
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)[N@@H+]3C)CC1	ZINC000022922794	556341307	/nfs/dbraw/zinc/34/13/07/556341307.db2.gz	NYCKATYKMNRHMG-XJUOHMSHSA-N	2	1	445.583	1.189	40	0	biogenic,in-vitro	IDABMP
C[NH+]1CCC(N2CC[C@@H]3[C@H]2C(=O)NC[C@H](CCC(=O)NCc2ccc(F)cc2)[N@H+]3C)CC1	ZINC000022922794	556341314	/nfs/dbraw/zinc/34/13/14/556341314.db2.gz	NYCKATYKMNRHMG-XJUOHMSHSA-N	2	1	445.583	1.189	40	0	biogenic,in-vitro	IDABMP
CCC[NH+]1CCC2(CC1)NC(=O)N([C@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	ZINC000019700744	556860210	/nfs/dbraw/zinc/86/02/10/556860210.db2.gz	ISXDEAFMORCNRO-KRWDZBQOSA-N	2	1	430.553	1.404	40	0		IDABMP
CC(=O)N1CCN(C[C@@]2(O)CC[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C2)CC1	ZINC000585271799	557216185	/nfs/dbraw/zinc/21/61/85/557216185.db2.gz	HRNMUYXEMYLIHO-VWLOTQADSA-N	2	1	444.620	1.652	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585270629	568617247	/nfs/dbraw/zinc/61/72/47/568617247.db2.gz	AKBZUBILDSJUIO-HSZRJFAPSA-N	2	1	429.565	1.807	40	0		IDABMP
C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1	ZINC000585272982	568618164	/nfs/dbraw/zinc/61/81/64/568618164.db2.gz	OAUZMTGNNUMPKY-XMMPIXPASA-N	3	1	426.561	1.866	40	0		IDABMP
CN(C)C(=O)c1cccc(NC(=O)NCc2cccc(N3C(=[NH2+])NC(=[NH2+])NC3(C)C)c2)c1	ZINC000001728479	555711231	/nfs/dbraw/zinc/71/12/31/555711231.db2.gz	QPGACLTYXVACQF-UHFFFAOYSA-N	2	1	436.520	1.896	40	0		IDABMP
CC[NH+](CC)CCN1c2ccccc2C(=O)N[C@@]2(C)C[N@@H+](C[C@H]3CCOC3)C[C@H]2C1=O	ZINC000019526395	556784499	/nfs/dbraw/zinc/78/44/99/556784499.db2.gz	QSWFTKBHJKEMNY-WWEVIYMKSA-N	2	1	428.577	1.832	40	0		IDABMP
C[NH+](C)CCN1CCN(C(=O)C[N@@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000019582850	556820326	/nfs/dbraw/zinc/82/03/26/556820326.db2.gz	CPSSCVQXICBBPE-UXHICEINSA-N	2	1	446.596	1.566	40	0		IDABMP
C[NH+](C)CCN1CCN(C(=O)C[N@H+]2C[C@H](c3csnn3)[C@@H](c3ccc(F)cc3)C2)CC1	ZINC000019582850	556820329	/nfs/dbraw/zinc/82/03/29/556820329.db2.gz	CPSSCVQXICBBPE-UXHICEINSA-N	2	1	446.596	1.566	40	0		IDABMP
CCC[NH+]1CCC2(CC1)NC(=O)N([C@@H]1CCN(C(=O)Cn3cc[nH+]c3C(C)C)C1)C2=O	ZINC000019700743	556860260	/nfs/dbraw/zinc/86/02/60/556860260.db2.gz	ISXDEAFMORCNRO-QGZVFWFLSA-N	2	1	430.553	1.404	40	0		IDABMP
CCC[NH+]1CCC2(CC1)NC(=O)N(CC1CCN(C(=O)CCn3cc[nH+]c3C)CC1)C2=O	ZINC000019700666	569231165	/nfs/dbraw/zinc/23/11/65/569231165.db2.gz	MLQKUZPAYRSDGQ-UHFFFAOYSA-N	2	1	444.580	1.617	40	0		IDABMP
Cc1[nH+]ccn1CC(=O)NC[C@]1(c2ccccc2)CC[C@@H](O)[C@H]([NH+]2CCOCC2)CC1	ZINC000257208027	556701937	/nfs/dbraw/zinc/70/19/37/556701937.db2.gz	BKIKQMPUTVSHLM-CQOQZXRMSA-N	2	1	426.561	1.881	40	0		IDABMP
O=C(C[N@@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000019292031	556731749	/nfs/dbraw/zinc/73/17/49/556731749.db2.gz	YAGQAUIBQFIUHU-LJQANCHMSA-N	2	1	427.593	1.846	40	0		IDABMP
O=C(C[N@H+]1CC[C@@H](c2cc(=O)n3c(n2)CCCCC3)C1)N1CC[NH+](C2CCCC2)CC1	ZINC000019292031	556731754	/nfs/dbraw/zinc/73/17/54/556731754.db2.gz	YAGQAUIBQFIUHU-LJQANCHMSA-N	2	1	427.593	1.846	40	0		IDABMP
C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1	ZINC000585270647	568617036	/nfs/dbraw/zinc/61/70/36/568617036.db2.gz	OAKHALHNVQMWBG-XMMPIXPASA-N	2	1	430.593	1.262	40	0		IDABMP
C[NH+]1CCN(C[C@]2(O)CC[N@@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1	ZINC000585270647	568617042	/nfs/dbraw/zinc/61/70/42/568617042.db2.gz	OAKHALHNVQMWBG-XMMPIXPASA-N	2	1	430.593	1.262	40	0		IDABMP
COc1cc(C[N@H+]2CC[C@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000585270970	568617718	/nfs/dbraw/zinc/61/77/18/568617718.db2.gz	CRWAQDXJVDLIGS-DEOSSOPVSA-N	2	1	448.608	1.127	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@]2(O)CCCN(c3ncccn3)C2)ccc1OCC[NH+](C)C	ZINC000585271989	557216198	/nfs/dbraw/zinc/21/61/98/557216198.db2.gz	HXHGPOYEEZGKRT-HSZRJFAPSA-N	2	1	429.565	1.889	40	0		IDABMP
C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@]1(O)CCN(c2ccccn2)C1	ZINC000585272981	568618076	/nfs/dbraw/zinc/61/80/76/568618076.db2.gz	OAUZMTGNNUMPKY-DEOSSOPVSA-N	3	1	426.561	1.866	40	0		IDABMP
CN(C(=O)c1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O	ZINC000257292140	568707538	/nfs/dbraw/zinc/70/75/38/568707538.db2.gz	QKEMSICBZGERNJ-DNVJHFABSA-N	2	1	431.577	1.847	40	0		IDABMP
CN1Cc2ccccc2OC/C=C\[C@H]2CN(CC[C@H]2CC(=O)N2CC[NH+](C)CC2)C(=O)C1	ZINC000253394161	569208539	/nfs/dbraw/zinc/20/85/39/569208539.db2.gz	AMTSOTWOSGAOHR-HJIDZEHQSA-N	2	1	440.588	1.696	40	0		IDABMP
COCCNC(=S)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCN(c2ccc(F)cc2)CC1	ZINC000008635651	291323641	/nfs/dbraw/zinc/32/36/41/291323641.db2.gz	PVKMWOKJRARHSN-CNNODRBYSA-N	2	1	449.640	1.769	40	0	biogenic,in-vitro	IDABMP
Cc1ccc([C@@H]2C[N@@H+](CC(=O)N3CCN(CC[NH+](C)C)CC3)C[C@H]2c2csnn2)cc1	ZINC000019211994	556709748	/nfs/dbraw/zinc/70/97/48/556709748.db2.gz	KJTFAYBYPBOCSG-LEWJYISDSA-N	2	1	442.633	1.735	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585271495	557213517	/nfs/dbraw/zinc/21/35/17/557213517.db2.gz	FUPLBKPDKFKCEE-QHCPKHFHSA-N	2	1	429.565	1.889	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@@]2(O)CCCN(c3ncccn3)C2)ccc1OCC[NH+](C)C	ZINC000585271990	557216294	/nfs/dbraw/zinc/21/62/94/557216294.db2.gz	HXHGPOYEEZGKRT-QHCPKHFHSA-N	2	1	429.565	1.889	40	0		IDABMP
O=C(CCc1ccccc1)N1C[C@@H](O)[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000585291100	557228367	/nfs/dbraw/zinc/22/83/67/557228367.db2.gz	KDSBROYBONYKQP-RSXGOPAZSA-N	2	1	437.584	1.808	40	0		IDABMP
C[NH+](C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C	ZINC000057773635	557265313	/nfs/dbraw/zinc/26/53/13/557265313.db2.gz	ACRIGBFMNDEZDD-YADHBBJMSA-N	2	1	438.572	1.627	40	0		IDABMP
COc1cc(C[N@@H+]2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585270938	568617655	/nfs/dbraw/zinc/61/76/55/568617655.db2.gz	CMOMQDHLFKBRHZ-DNQXCXABSA-N	2	1	449.592	1.240	40	0		IDABMP
COc1cc(C[N@H+]2CC[C@@](O)(CNC(C)=O)[C@H](O)C2)ccc1OCC[NH+]1CCC(C)CC1	ZINC000585270938	568617657	/nfs/dbraw/zinc/61/76/57/568617657.db2.gz	CMOMQDHLFKBRHZ-DNQXCXABSA-N	2	1	449.592	1.240	40	0		IDABMP
[NH3+]CCC(=O)N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCN(c2ccccc2)CC1	ZINC000257285985	556715722	/nfs/dbraw/zinc/71/57/22/556715722.db2.gz	PJRLKTWKJRBCHX-HTDNTCHWSA-N	2	1	442.535	1.362	40	0		IDABMP
COc1ccc(C[N@@H+](C)[C@@H]2[C@@H](O)[C@H](Oc3cccc(F)c3)C[C@H]2NC(=O)C[NH+](C)C)cc1	ZINC000585262274	568616365	/nfs/dbraw/zinc/61/63/65/568616365.db2.gz	QATKRCDRFVKLBC-HTDNTCHWSA-N	2	1	445.535	1.893	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@@]2(O)CCN(c3cc(C)ncn3)C2)ccc1OCC[NH+](C)C	ZINC000585270639	568617339	/nfs/dbraw/zinc/61/73/39/568617339.db2.gz	AKBZUBILDSJUIO-QHCPKHFHSA-N	2	1	429.565	1.807	40	0		IDABMP
Cc1cc(C)n(CCOc2ccc(C[N@H+]3CC[C@](O)(CN4CC[NH+](C)CC4)C3)cc2)n1	ZINC000585271349	568618016	/nfs/dbraw/zinc/61/80/16/568618016.db2.gz	WVPMLTWIHMUXQR-DEOSSOPVSA-N	2	1	427.593	1.763	40	0		IDABMP
Cc1cc(C)n(CCOc2ccc(C[N@@H+]3CC[C@](O)(CN4CC[NH+](C)CC4)C3)cc2)n1	ZINC000585271349	568618020	/nfs/dbraw/zinc/61/80/20/568618020.db2.gz	WVPMLTWIHMUXQR-DEOSSOPVSA-N	2	1	427.593	1.763	40	0		IDABMP
C[NH+]1CCN(C(=O)C[C@H]2CN(C(=O)CC[NH+]3CCCC3)CC[C@@H]2Oc2ccccc2)CC1	ZINC000257326223	568722886	/nfs/dbraw/zinc/72/28/86/568722886.db2.gz	WWJIKHQIDQFVNF-GMAHTHKFSA-N	2	1	442.604	1.933	40	0		IDABMP
CN1CC[NH+](CCCNC(=O)c2nc(-c3ccn(CC[NH+](C)C)c3)n3ccccc23)CC1	ZINC000306140898	568771865	/nfs/dbraw/zinc/77/18/65/568771865.db2.gz	VGJGXJRZHFEYGB-UHFFFAOYSA-N	2	1	437.592	1.732	40	0		IDABMP
CN(C)c1cc(N2CC[C@@](O)(C[N@@H+](C)Cc3ccc(OCC[NH+](C)C)cc3)C2)ncn1	ZINC000257310666	556718435	/nfs/dbraw/zinc/71/84/35/556718435.db2.gz	UGAQYVHUZKMQAI-HSZRJFAPSA-N	2	1	428.581	1.556	40	0		IDABMP
COc1cc(C[N@@H+](C)C[C@]2(O)CCN(c3ncccn3)C2)ccc1OCCC[NH+](C)C	ZINC000585271493	557213430	/nfs/dbraw/zinc/21/34/30/557213430.db2.gz	FUPLBKPDKFKCEE-HSZRJFAPSA-N	2	1	429.565	1.889	40	0		IDABMP
O=C(Cc1ccccc1)N1CC[C@@H](O)[C@](O)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1	ZINC000585285645	557224989	/nfs/dbraw/zinc/22/49/89/557224989.db2.gz	LMTDRSZLSSTORW-RSXGOPAZSA-N	2	1	437.584	1.808	40	0		IDABMP
COc1cc(C[N@H+]2CC[C@@](O)(CN3CCN(C(C)=O)CC3)C2)ccc1OCCC[NH+](C)C	ZINC000585270981	568617530	/nfs/dbraw/zinc/61/75/30/568617530.db2.gz	CRWAQDXJVDLIGS-XMMPIXPASA-N	2	1	448.608	1.127	40	0		IDABMP
CC(=O)N1CCN([C@H]2C[N@@H+](Cc3cccc(OCC[NH+]4CCCCC4)c3)C[C@@H]2O)CC1	ZINC000585271488	557213530	/nfs/dbraw/zinc/21/35/30/557213530.db2.gz	FTYWIZYRNYXFHX-ZEQRLZLVSA-N	2	1	430.593	1.261	40	0		IDABMP
C[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1	ZINC000585270642	568617097	/nfs/dbraw/zinc/61/70/97/568617097.db2.gz	OAKHALHNVQMWBG-DEOSSOPVSA-N	2	1	430.593	1.262	40	0		IDABMP
C[NH+]1CCN(C[C@@]2(O)CC[N@@H+](Cc3ccc(OCCCN4CCCC4=O)cc3)C2)CC1	ZINC000585270642	568617101	/nfs/dbraw/zinc/61/71/01/568617101.db2.gz	OAKHALHNVQMWBG-DEOSSOPVSA-N	2	1	430.593	1.262	40	0		IDABMP
Cc1cccc2cc(CN(CC[NH+](C)C)C(=S)NCCC[NH+]3CCOCC3)c(=O)[nH]c12	ZINC000006443403	556836234	/nfs/dbraw/zinc/83/62/34/556836234.db2.gz	GSDIMENHVIEUJR-UHFFFAOYSA-N	2	1	445.633	1.797	40	0		IDABMP
C[NH+](C)CC(=O)N[C@H](Cc1ccccc1)C(=O)N1Cc2ccccc2OC[C@H]1C[NH+](C)C	ZINC000057773626	557265455	/nfs/dbraw/zinc/26/54/55/557265455.db2.gz	ACRIGBFMNDEZDD-FGZHOGPDSA-N	2	1	438.572	1.627	40	0		IDABMP
C[N@@H+]1CCCN([C@H]2CC[NH+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257332889	556705902	/nfs/dbraw/zinc/70/59/02/556705902.db2.gz	XZFJGBDULBAXAT-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[N@H+]1CCCN([C@H]2CC[NH+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257332889	556705904	/nfs/dbraw/zinc/70/59/04/556705904.db2.gz	XZFJGBDULBAXAT-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[NH+]1CCCN([C@H]2CC[N@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257332889	556705906	/nfs/dbraw/zinc/70/59/06/556705906.db2.gz	XZFJGBDULBAXAT-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
C[NH+]1CCCN([C@H]2CC[N@@H+](Cc3cc(C(C)(C)C)ccc3OCC(N)=O)CC[C@@H]2O)CC1	ZINC000257332889	556705908	/nfs/dbraw/zinc/70/59/08/556705908.db2.gz	XZFJGBDULBAXAT-VXKWHMMOSA-N	2	1	446.636	1.811	40	0		IDABMP
CN1CC[NH+]([C@H]2CC[C@](CNC(=O)[C@H]3CCC[N@@H+](C)C3)(c3ccccc3)CC[C@@H]2O)CC1	ZINC000257277216	568700827	/nfs/dbraw/zinc/70/08/27/568700827.db2.gz	NWXNCKHJLZEZIC-KYFHRZRWSA-N	2	1	442.648	1.933	40	0		IDABMP