smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC[C@H](C)C2)cc1	ZINC000036067898	821068150	/nfs/dbraw/zinc/06/81/50/821068150.db2.gz	CVJOIVRFZKWWKH-REWPJTCUSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000036067898	821068155	/nfs/dbraw/zinc/06/81/55/821068155.db2.gz	CVJOIVRFZKWWKH-REWPJTCUSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000036067898	821068163	/nfs/dbraw/zinc/06/81/63/821068163.db2.gz	CVJOIVRFZKWWKH-REWPJTCUSA-N	2	1	385.596	4.303	40	0		GIABMP
c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000022931252	570379389	/nfs/dbraw/zinc/37/93/89/570379389.db2.gz	JRYSXBLVKOMTKC-RPBOFIJWSA-N	2	1	377.576	4.120	40	0		GIABMP
C[C@H](CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)[NH+]1CCCC1	ZINC000019455582	570987335	/nfs/dbraw/zinc/98/73/35/570987335.db2.gz	YOESDUGDVDPCJE-SJHORNLWSA-N	2	1	397.607	4.120	40	0		GIABMP
CCn1nc(C)c(C[N@@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)c1C	ZINC000019713049	818603220	/nfs/dbraw/zinc/60/32/20/818603220.db2.gz	ZKMLCHIYVYGSQC-YFNKSVMNSA-N	2	1	380.580	4.238	40	0		GIABMP
CCn1nc(C)c(C[N@H+]2[C@H](Cc3ccccc3)C[C@@H]3[NH2+]CCCCC[C@H]32)c1C	ZINC000019713049	818603223	/nfs/dbraw/zinc/60/32/23/818603223.db2.gz	ZKMLCHIYVYGSQC-YFNKSVMNSA-N	2	1	380.580	4.238	40	0		GIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC[C@H](C)C2)cc1	ZINC000036067897	821068072	/nfs/dbraw/zinc/06/80/72/821068072.db2.gz	CVJOIVRFZKWWKH-NZQKXSOJSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000036067897	821068077	/nfs/dbraw/zinc/06/80/77/821068077.db2.gz	CVJOIVRFZKWWKH-NZQKXSOJSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000036067897	821068084	/nfs/dbraw/zinc/06/80/84/821068084.db2.gz	CVJOIVRFZKWWKH-NZQKXSOJSA-N	2	1	385.596	4.303	40	0		GIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1	ZINC000044932535	205091309	/nfs/dbraw/zinc/09/13/09/205091309.db2.gz	XQSUPVGLHXSFOJ-UHFFFAOYSA-N	2	1	388.515	4.097	40	0		GIABMP
CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)c(C)n1	ZINC000072374966	205337239	/nfs/dbraw/zinc/33/72/39/205337239.db2.gz	YFASPTDDFOSOMR-LJQANCHMSA-N	2	1	390.535	4.433	40	0		GIABMP
CCn1cc(C[N@H+]2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)c(C)n1	ZINC000072374966	205337242	/nfs/dbraw/zinc/33/72/42/205337242.db2.gz	YFASPTDDFOSOMR-LJQANCHMSA-N	2	1	390.535	4.433	40	0		GIABMP
COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@H+](Cc4cn(C)nc4C)C3)c2)cc1	ZINC000257334420	206181835	/nfs/dbraw/zinc/18/18/35/206181835.db2.gz	YFUJNHOMALXAQE-GOSISDBHSA-N	2	1	391.519	4.174	40	0		GIABMP
COc1ccc(Nc2cc(C)[nH+]c([C@@H]3CC[N@@H+](Cc4cn(C)nc4C)C3)c2)cc1	ZINC000257334420	206181840	/nfs/dbraw/zinc/18/18/40/206181840.db2.gz	YFUJNHOMALXAQE-GOSISDBHSA-N	2	1	391.519	4.174	40	0		GIABMP
CC[N@H+]1CCC[C@@H]1CN(Cc1cccnc1)CC(C)(C)C[NH+]1CCC(C)CC1	ZINC000022931866	570379924	/nfs/dbraw/zinc/37/99/24/570379924.db2.gz	YWZJIGGEJJWWQJ-HSZRJFAPSA-N	2	1	386.628	4.126	40	0		GIABMP
COc1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cccc(OC)c2)CC3)cc1	ZINC000096046638	571097412	/nfs/dbraw/zinc/09/74/12/571097412.db2.gz	OUNOCWUNWNMWLO-UHFFFAOYSA-N	2	1	380.532	4.192	40	0		GIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@H+](Cc1ccc(F)cc1)C1CCCC1	ZINC000257311782	206177957	/nfs/dbraw/zinc/17/79/57/206177957.db2.gz	UKZLAASMCJCZPE-WXFUMESZSA-N	2	1	382.523	4.252	40	0		GIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@@H+](Cc1ccc(F)cc1)C1CCCC1	ZINC000257311782	206177961	/nfs/dbraw/zinc/17/79/61/206177961.db2.gz	UKZLAASMCJCZPE-WXFUMESZSA-N	2	1	382.523	4.252	40	0		GIABMP
Cc1ccc(C[NH+]2CCC[C@]3(C[N@H+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127074	206197381	/nfs/dbraw/zinc/19/73/81/206197381.db2.gz	FOAUYCFPLGNUPU-XMMPIXPASA-N	2	1	393.575	4.008	40	0		GIABMP
Cc1ccc(C[N@H+]2CCC[C@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127074	206197386	/nfs/dbraw/zinc/19/73/86/206197386.db2.gz	FOAUYCFPLGNUPU-XMMPIXPASA-N	2	1	393.575	4.008	40	0		GIABMP
Cc1ccc(C[N@@H+]2CCC[C@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127074	206197392	/nfs/dbraw/zinc/19/73/92/206197392.db2.gz	FOAUYCFPLGNUPU-XMMPIXPASA-N	2	1	393.575	4.008	40	0		GIABMP
c1csc(C[N@H+]2Cc3ccccc3C3(CCN(CC[NH+]4CCCC4)CC3)C2)c1	ZINC000096242487	570223093	/nfs/dbraw/zinc/22/30/93/570223093.db2.gz	ORHMNXXQWVLLNS-UHFFFAOYSA-N	2	1	395.616	4.193	40	0		GIABMP
CC1(C)CC([N@H+](Cc2ccncc2)Cc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1	ZINC000013992724	570869039	/nfs/dbraw/zinc/86/90/39/570869039.db2.gz	SSBHWBUDJKSOJD-UHFFFAOYSA-N	2	1	379.548	4.328	40	0		GIABMP
CC1(C)CC([N@@H+](Cc2ccncc2)Cc2ccc3c(c2)CCO3)CC(C)(C)[NH2+]1	ZINC000013992724	570869042	/nfs/dbraw/zinc/86/90/42/570869042.db2.gz	SSBHWBUDJKSOJD-UHFFFAOYSA-N	2	1	379.548	4.328	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cccc4cccnc43)n(C)n2)CC1	ZINC000257303747	570906351	/nfs/dbraw/zinc/90/63/51/570906351.db2.gz	SINFODVGMMVUPA-WGSAOQKQSA-N	2	1	391.563	4.094	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cccc4cccnc43)n(C)n2)CC1	ZINC000257303747	570906354	/nfs/dbraw/zinc/90/63/54/570906354.db2.gz	SINFODVGMMVUPA-WGSAOQKQSA-N	2	1	391.563	4.094	40	0		GIABMP
COc1cc2c(cc1OC)[C@H](CC1=CC[N@H+]3CCC4=C(C=CCC4)[C@@H]3C1)[NH2+]CC2	ZINC000004972681	204098184	/nfs/dbraw/zinc/09/81/84/204098184.db2.gz	VNXARYBCEIRABX-GOTSBHOMSA-N	2	1	392.543	4.332	40	0		GIABMP
CCN(Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@H]1C[NH2+]C2(C1)CCCCC2	ZINC000257243790	206167000	/nfs/dbraw/zinc/16/70/00/206167000.db2.gz	IIOBHAVQSSOHIW-JOCHJYFZSA-N	2	1	396.579	4.135	40	0		GIABMP
c1csc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)c1	ZINC000096242460	570222818	/nfs/dbraw/zinc/22/28/18/570222818.db2.gz	NTDHPZLZWXWLHG-UHFFFAOYSA-N	2	1	382.573	4.277	40	0		GIABMP
C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)C[C@H](C)O3)Cc1ccccc1O2	ZINC000019498211	570990889	/nfs/dbraw/zinc/99/08/89/570990889.db2.gz	GIRFKBVNBPRRRG-SIPIWMQHSA-N	2	1	392.543	4.305	40	0		GIABMP
CCN(Cc1ccc(OC)c(Cn2cc[nH+]c2C)c1)[C@@H]1C[NH2+]C2(C1)CCCCC2	ZINC000257243791	206166482	/nfs/dbraw/zinc/16/64/82/206166482.db2.gz	IIOBHAVQSSOHIW-QFIPXVFZSA-N	2	1	396.579	4.135	40	0		GIABMP
COc1cc(C)c(C[N@@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C	ZINC000019566941	571008261	/nfs/dbraw/zinc/00/82/61/571008261.db2.gz	OCPJBNNQDBDBKP-JOCHJYFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[N@H+]2CCCC[C@@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C	ZINC000019566941	571008263	/nfs/dbraw/zinc/00/82/63/571008263.db2.gz	OCPJBNNQDBDBKP-JOCHJYFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C	ZINC000019566941	571008265	/nfs/dbraw/zinc/00/82/65/571008265.db2.gz	OCPJBNNQDBDBKP-JOCHJYFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[NH+]2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C	ZINC000019566941	571008268	/nfs/dbraw/zinc/00/82/68/571008268.db2.gz	OCPJBNNQDBDBKP-JOCHJYFZSA-N	2	1	394.563	4.126	40	0		GIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000030869280	570500251	/nfs/dbraw/zinc/50/02/51/570500251.db2.gz	DSOVHIKGYNZYAF-HSZRJFAPSA-N	2	1	385.596	4.303	40	0		GIABMP
Cc1c(C[NH+]2CCC(O)(Cn3cc[nH+]c3C(C)C)CC2)c2ccc(C)cc2n1C	ZINC000019221436	570963356	/nfs/dbraw/zinc/96/33/56/570963356.db2.gz	AYYFPULJPXZELJ-UHFFFAOYSA-N	2	1	394.563	4.142	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cccc4cccnc43)n(C)n2)CC1	ZINC000100687702	205610180	/nfs/dbraw/zinc/61/01/80/205610180.db2.gz	SINFODVGMMVUPA-KDURUIRLSA-N	2	1	391.563	4.094	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cccc4cccnc43)n(C)n2)CC1	ZINC000100687702	205610185	/nfs/dbraw/zinc/61/01/85/205610185.db2.gz	SINFODVGMMVUPA-KDURUIRLSA-N	2	1	391.563	4.094	40	0		GIABMP
CC[N@H+]1CCC[C@H]1CN(Cc1cccnc1)CC(C)(C)C[NH+]1CCC(C)CC1	ZINC000022931868	570379934	/nfs/dbraw/zinc/37/99/34/570379934.db2.gz	YWZJIGGEJJWWQJ-QHCPKHFHSA-N	2	1	386.628	4.126	40	0		GIABMP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000004769653	570729926	/nfs/dbraw/zinc/72/99/26/570729926.db2.gz	OBUCWJVKGWIGLC-UMEGOILYSA-N	2	1	396.575	4.482	40	0		GIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000030869284	207378181	/nfs/dbraw/zinc/37/81/81/207378181.db2.gz	DSOVHIKGYNZYAF-QHCPKHFHSA-N	2	1	385.596	4.303	40	0		GIABMP
Cc1c(C[N@@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cnn1C	ZINC000072374948	208007480	/nfs/dbraw/zinc/00/74/80/208007480.db2.gz	JIVPRNKSQXRSCK-IBGZPJMESA-N	2	1	390.535	4.259	40	0		GIABMP
Cc1c(C[N@H+]2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cnn1C	ZINC000072374948	208007486	/nfs/dbraw/zinc/00/74/86/208007486.db2.gz	JIVPRNKSQXRSCK-IBGZPJMESA-N	2	1	390.535	4.259	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@H+](C)Cc3cccc(OC(C)C)c3)n(C)n2)CC1	ZINC000100687671	208379357	/nfs/dbraw/zinc/37/93/57/208379357.db2.gz	IGGUFZXFNYXCNZ-TYKWCNGQSA-N	2	1	398.595	4.333	40	0		GIABMP
C[NH2+]C[C@H]1CC[C@H](c2cc(C[N@@H+](C)Cc3cccc(OC(C)C)c3)n(C)n2)CC1	ZINC000100687671	208379364	/nfs/dbraw/zinc/37/93/64/208379364.db2.gz	IGGUFZXFNYXCNZ-TYKWCNGQSA-N	2	1	398.595	4.333	40	0		GIABMP
Cc1ccc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127073	209098094	/nfs/dbraw/zinc/09/80/94/209098094.db2.gz	FOAUYCFPLGNUPU-DEOSSOPVSA-N	2	1	393.575	4.008	40	0		GIABMP
Cc1ccc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127073	209098098	/nfs/dbraw/zinc/09/80/98/209098098.db2.gz	FOAUYCFPLGNUPU-DEOSSOPVSA-N	2	1	393.575	4.008	40	0		GIABMP
Cc1ccc(C[N@@H+]2CCC[C@@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)o1	ZINC000306127073	209098101	/nfs/dbraw/zinc/09/81/01/209098101.db2.gz	FOAUYCFPLGNUPU-DEOSSOPVSA-N	2	1	393.575	4.008	40	0		GIABMP
COc1ccc(Nc2cc(C)[nH+]c([C@H]3CC[N@H+](Cc4cn(C)nc4C)C3)c2)cc1	ZINC000257334421	209078529	/nfs/dbraw/zinc/07/85/29/209078529.db2.gz	YFUJNHOMALXAQE-SFHVURJKSA-N	2	1	391.519	4.174	40	0		GIABMP
COc1ccc(Nc2cc(C)[nH+]c([C@H]3CC[N@@H+](Cc4cn(C)nc4C)C3)c2)cc1	ZINC000257334421	209078533	/nfs/dbraw/zinc/07/85/33/209078533.db2.gz	YFUJNHOMALXAQE-SFHVURJKSA-N	2	1	391.519	4.174	40	0		GIABMP
Cc1nn(C(C)C)c(C)c1C[N@H+]1Cc2cc(C)ccc2OC2(CC[NH+](C)CC2)C1	ZINC000072394192	222250394	/nfs/dbraw/zinc/25/03/94/222250394.db2.gz	OSGJFDYOSGUJFD-UHFFFAOYSA-N	2	1	396.579	4.248	40	0		GIABMP
Cc1ccc(C[NH+]2CCC3(CC2)C[N@H+](CCN2CCCC2)Cc2ccccc23)o1	ZINC000096242598	208292771	/nfs/dbraw/zinc/29/27/71/208292771.db2.gz	QGLLWWROKYKATL-UHFFFAOYSA-N	2	1	393.575	4.033	40	0		GIABMP
Cc1ccc(C[NH+]2CCC3(CC2)C[N@@H+](CCN2CCCC2)Cc2ccccc23)o1	ZINC000096242598	208292774	/nfs/dbraw/zinc/29/27/74/208292774.db2.gz	QGLLWWROKYKATL-UHFFFAOYSA-N	2	1	393.575	4.033	40	0		GIABMP
c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCCCC3)[C@@H](c3ccccc3)C2)cc1	ZINC000022931249	570379369	/nfs/dbraw/zinc/37/93/69/570379369.db2.gz	JRYSXBLVKOMTKC-JWQCQUIFSA-N	2	1	377.576	4.120	40	0		GIABMP
Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccnn2[C@@H]2CCCCO2)c1	ZINC000043277724	570626193	/nfs/dbraw/zinc/62/61/93/570626193.db2.gz	ONTDABFQABDONL-QFIPXVFZSA-N	2	1	397.498	4.010	40	0		GIABMP
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2cc(C)ccn2)o1	ZINC000043277756	570626408	/nfs/dbraw/zinc/62/64/08/570626408.db2.gz	ZKGMHQVVXRJKSP-UHFFFAOYSA-N	2	1	389.503	4.371	40	0		GIABMP
COc1cccc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)c1	ZINC000019583957	207139076	/nfs/dbraw/zinc/13/90/76/207139076.db2.gz	ZMUMJMNTASKXCO-UHFFFAOYSA-N	2	1	380.532	4.333	40	0		GIABMP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC	ZINC000004769654	570729918	/nfs/dbraw/zinc/72/99/18/570729918.db2.gz	OBUCWJVKGWIGLC-OHUGHZGNSA-N	2	1	396.575	4.482	40	0		GIABMP
COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccsc1)CC2	ZINC000585102929	570930941	/nfs/dbraw/zinc/93/09/41/570930941.db2.gz	JCNNIIRSHQPHQT-LJQANCHMSA-N	2	1	376.591	4.170	40	0		GIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC[C@@H](C)C2)cc1	ZINC000020494288	207198929	/nfs/dbraw/zinc/19/89/29/207198929.db2.gz	CVJOIVRFZKWWKH-NFBKMPQASA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000020494288	207198934	/nfs/dbraw/zinc/19/89/34/207198934.db2.gz	CVJOIVRFZKWWKH-NFBKMPQASA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000020494288	207198938	/nfs/dbraw/zinc/19/89/38/207198938.db2.gz	CVJOIVRFZKWWKH-NFBKMPQASA-N	2	1	385.596	4.303	40	0		GIABMP
CC1=C[C@@H](C[NH2+]C2CC[NH+](C)CC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccnc2[nH]1	ZINC000072320814	560077319	/nfs/dbraw/zinc/07/73/19/560077319.db2.gz	KCWGKCAEYJRNSQ-ZJOUEHCJSA-N	2	1	395.595	4.039	40	0	biogenic,in-vitro	GIABMP
c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCCCC3)[C@H](c3ccccc3)C2)cc1	ZINC000022586525	570348364	/nfs/dbraw/zinc/34/83/64/570348364.db2.gz	JRYSXBLVKOMTKC-LOSJGSFVSA-N	2	1	377.576	4.120	40	0		GIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc2)C1	ZINC000260522599	570775957	/nfs/dbraw/zinc/77/59/57/570775957.db2.gz	VMTVBAIHIXKTBC-HKBOAZHASA-N	2	1	385.596	4.016	40	0		GIABMP
Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1	ZINC000019659065	210278104	/nfs/dbraw/zinc/27/81/04/210278104.db2.gz	QNGWKNYKJHDECJ-NRFANRHFSA-N	2	1	377.536	4.215	40	0		GIABMP
Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@H](Cn2cc[nH+]c2C)C1	ZINC000019659065	210278108	/nfs/dbraw/zinc/27/81/08/210278108.db2.gz	QNGWKNYKJHDECJ-NRFANRHFSA-N	2	1	377.536	4.215	40	0		GIABMP
Cc1ccc(C[N@H+](CCCn2ccnc2)Cc2ccc(-n3cc[nH+]c3C)cc2)o1	ZINC000036740269	570568631	/nfs/dbraw/zinc/56/86/31/570568631.db2.gz	HJUIRUHXLMNJPN-UHFFFAOYSA-N	2	1	389.503	4.371	40	0		GIABMP
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2ccc(-n3cc[nH+]c3C)cc2)o1	ZINC000036740269	570568632	/nfs/dbraw/zinc/56/86/32/570568632.db2.gz	HJUIRUHXLMNJPN-UHFFFAOYSA-N	2	1	389.503	4.371	40	0		GIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc2)C1	ZINC000260523240	570775746	/nfs/dbraw/zinc/77/57/46/570775746.db2.gz	VMTVBAIHIXKTBC-NJDAHSKKSA-N	2	1	385.596	4.016	40	0		GIABMP
CC(C)c1ncc(C[N@@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1	ZINC000019454128	210250254	/nfs/dbraw/zinc/25/02/54/210250254.db2.gz	MDDMBSVIYUAJQG-UHFFFAOYSA-N	2	1	394.563	4.238	40	0		GIABMP
CC(C)c1ncc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cn1	ZINC000019454128	210250258	/nfs/dbraw/zinc/25/02/58/210250258.db2.gz	MDDMBSVIYUAJQG-UHFFFAOYSA-N	2	1	394.563	4.238	40	0		GIABMP
COc1ccccc1C[N@H+]1Cc2ccccc2OC2(CCC([NH+](C)C)CC2)C1	ZINC000019584038	210269919	/nfs/dbraw/zinc/26/99/19/210269919.db2.gz	WJEFGPUNLCEXPF-UHFFFAOYSA-N	2	1	380.532	4.333	40	0		GIABMP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)cc1	ZINC000030753719	570494700	/nfs/dbraw/zinc/49/47/00/570494700.db2.gz	AMXDKLPQBVSLAJ-UHFFFAOYSA-N	2	1	388.515	4.097	40	0		GIABMP
CC1CC[NH+](Cc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)CC1	ZINC000020458090	210337830	/nfs/dbraw/zinc/33/78/30/210337830.db2.gz	JWIKFEIUDQZYGS-OYRHEFFESA-N	2	1	385.596	4.016	40	0		GIABMP
C[C@@H](CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)[NH+]1CCCC1	ZINC000019455580	210250386	/nfs/dbraw/zinc/25/03/86/210250386.db2.gz	YOESDUGDVDPCJE-ITAIVJFTSA-N	2	1	397.607	4.120	40	0		GIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+]2CCC[C@@H](C)C2)cc1	ZINC000020494290	210342158	/nfs/dbraw/zinc/34/21/58/210342158.db2.gz	CVJOIVRFZKWWKH-OFNKIYASSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000020494290	210342163	/nfs/dbraw/zinc/34/21/63/210342163.db2.gz	CVJOIVRFZKWWKH-OFNKIYASSA-N	2	1	385.596	4.303	40	0		GIABMP
CC[C@H]1CCCC[NH+]1CCCNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000020494290	210342165	/nfs/dbraw/zinc/34/21/65/210342165.db2.gz	CVJOIVRFZKWWKH-OFNKIYASSA-N	2	1	385.596	4.303	40	0		GIABMP
CC1CC[NH+](CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1	ZINC000012293152	570633759	/nfs/dbraw/zinc/63/37/59/570633759.db2.gz	POTVOMVIGMPPLG-RIKCKFAHSA-N	2	1	388.571	4.398	40	0		GIABMP
c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCCC3)[C@H](c3ccccc3)C2)cc1	ZINC000022586521	570348190	/nfs/dbraw/zinc/34/81/90/570348190.db2.gz	JRYSXBLVKOMTKC-DQEYMECFSA-N	2	1	377.576	4.120	40	0		GIABMP
Fc1cccc(C[N@H+](CCCn2ccnc2)Cc2ccnn2[C@H]2CCCCO2)c1	ZINC000043277725	570626289	/nfs/dbraw/zinc/62/62/89/570626289.db2.gz	ONTDABFQABDONL-JOCHJYFZSA-N	2	1	397.498	4.010	40	0		GIABMP
Cc1c(C[N@@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cnn1C	ZINC000072374947	211105217	/nfs/dbraw/zinc/10/52/17/211105217.db2.gz	JIVPRNKSQXRSCK-LJQANCHMSA-N	2	1	390.535	4.259	40	0		GIABMP
Cc1c(C[N@H+]2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)[nH+]3)C2)cnn1C	ZINC000072374947	211105219	/nfs/dbraw/zinc/10/52/19/211105219.db2.gz	JIVPRNKSQXRSCK-LJQANCHMSA-N	2	1	390.535	4.259	40	0		GIABMP
CCn1c2ccccc2nc1C[N@H+](CCCn1ccnc1)Cc1ccc(F)cc1	ZINC000043277676	570626236	/nfs/dbraw/zinc/62/62/36/570626236.db2.gz	SBXLXGLYRQIWRM-UHFFFAOYSA-N	2	1	391.494	4.484	40	0		GIABMP
C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1cccc(C)c1OC)Cc1ccccc1O2	ZINC000019236019	210233208	/nfs/dbraw/zinc/23/32/08/210233208.db2.gz	YMHFYMMMZBMFDY-UHFFFAOYSA-N	2	1	380.532	4.299	40	0		GIABMP
c1ccc(C[N@H+]2Cc3ccccc3C3(CC[NH+](C4CCOCC4)CC3)C2)cc1	ZINC000096242461	211322624	/nfs/dbraw/zinc/32/26/24/211322624.db2.gz	FYPQOAWWRSUIHA-UHFFFAOYSA-N	2	1	376.544	4.215	40	0		GIABMP
CC1CC[NH+](CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1	ZINC000012293147	570633872	/nfs/dbraw/zinc/63/38/72/570633872.db2.gz	YWWMOTARMYVPMU-VXMMSVGHSA-N	2	1	388.571	4.398	40	0		GIABMP
CC1CC[NH+](CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1	ZINC000012293147	570633877	/nfs/dbraw/zinc/63/38/77/570633877.db2.gz	YWWMOTARMYVPMU-VXMMSVGHSA-N	2	1	388.571	4.398	40	0		GIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCCC[NH+]3C[C@H](C)C[C@H](C)C3)cc2)C1	ZINC000044907699	570641660	/nfs/dbraw/zinc/64/16/60/570641660.db2.gz	VMTVBAIHIXKTBC-NJYVYQBISA-N	2	1	385.596	4.016	40	0		GIABMP
C[C@@H]1CCC[NH+](Cc2ccc(C(=O)NCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1	ZINC000044907699	570641665	/nfs/dbraw/zinc/64/16/65/570641665.db2.gz	VMTVBAIHIXKTBC-NJYVYQBISA-N	2	1	385.596	4.016	40	0		GIABMP
C[C@@H]1CCC[NH+](Cc2ccc(C(=O)NCCC[N@@H+]3C[C@H](C)C[C@H](C)C3)cc2)C1	ZINC000044907699	570641668	/nfs/dbraw/zinc/64/16/68/570641668.db2.gz	VMTVBAIHIXKTBC-NJYVYQBISA-N	2	1	385.596	4.016	40	0		GIABMP
CCn1cc(C[N@@H+]2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)c(C)n1	ZINC000072374965	222243301	/nfs/dbraw/zinc/24/33/01/222243301.db2.gz	YFASPTDDFOSOMR-IBGZPJMESA-N	2	1	390.535	4.433	40	0		GIABMP
CCn1cc(C[N@H+]2CCC[C@H](c3cc(Nc4ccccn4)cc(C)[nH+]3)C2)c(C)n1	ZINC000072374965	222243304	/nfs/dbraw/zinc/24/33/04/222243304.db2.gz	YFASPTDDFOSOMR-IBGZPJMESA-N	2	1	390.535	4.433	40	0		GIABMP
CCn1cc(C[N@H+]2CC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cn1	ZINC000257320289	570780817	/nfs/dbraw/zinc/78/08/17/570780817.db2.gz	VWBPCZQSGKVHJP-IBGZPJMESA-N	2	1	391.519	4.348	40	0		GIABMP
CCn1cc(C[N@@H+]2CC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)[nH+]3)C2)cn1	ZINC000257320289	570780822	/nfs/dbraw/zinc/78/08/22/570780822.db2.gz	VWBPCZQSGKVHJP-IBGZPJMESA-N	2	1	391.519	4.348	40	0		GIABMP
COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccsc1)CC2	ZINC000585102928	570931006	/nfs/dbraw/zinc/93/10/06/570931006.db2.gz	JCNNIIRSHQPHQT-IBGZPJMESA-N	2	1	376.591	4.170	40	0		GIABMP
COc1ccc(C[N@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)cc1	ZINC000019584032	571014654	/nfs/dbraw/zinc/01/46/54/571014654.db2.gz	WDARABSUWMWKDR-UHFFFAOYSA-N	2	1	380.532	4.333	40	0		GIABMP
CNc1cc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759814	818605161	/nfs/dbraw/zinc/60/51/61/818605161.db2.gz	TZJWMVIPVWSXTI-JOCHJYFZSA-N	2	1	387.531	4.242	40	0		GIABMP
CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759814	818605167	/nfs/dbraw/zinc/60/51/67/818605167.db2.gz	TZJWMVIPVWSXTI-JOCHJYFZSA-N	2	1	387.531	4.242	40	0		GIABMP
CC[NH+](CC)CCCNc1nc(Nc2ccc3[nH+]c(C)cc(N)c3c2)cc(C)[nH+]1	ZINC000001608586	212250671	/nfs/dbraw/zinc/25/06/71/212250671.db2.gz	INFISQOPSVAWSA-UHFFFAOYSA-N	3	1	393.539	4.111	40	0		GIABMP
C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1	ZINC000044907702	570641593	/nfs/dbraw/zinc/64/15/93/570641593.db2.gz	VMTVBAIHIXKTBC-PCCBWWKXSA-N	2	1	385.596	4.016	40	0		GIABMP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1	ZINC000044907702	570641596	/nfs/dbraw/zinc/64/15/96/570641596.db2.gz	VMTVBAIHIXKTBC-PCCBWWKXSA-N	2	1	385.596	4.016	40	0		GIABMP
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)c2ccc(C[NH+]3CCC[C@H](C)C3)cc2)C1	ZINC000044907702	570641598	/nfs/dbraw/zinc/64/15/98/570641598.db2.gz	VMTVBAIHIXKTBC-PCCBWWKXSA-N	2	1	385.596	4.016	40	0		GIABMP
COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccsc1)CC2	ZINC000247822160	570716186	/nfs/dbraw/zinc/71/61/86/570716186.db2.gz	DJJMFNATTPEOFW-SFHVURJKSA-N	2	1	376.591	4.170	40	0		GIABMP
Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(Cn2cc[nH+]c2C)CC1	ZINC000019715473	571037271	/nfs/dbraw/zinc/03/72/71/571037271.db2.gz	NUIWJHBZUTVZTC-UHFFFAOYSA-N	2	1	381.499	4.045	40	0		GIABMP
CC(C)(C[N@H+]1C[C@@H](c2ccccc2)[C@@H]2NC(=O)CCCC[C@H]21)C[NH+]1CCCCC1	ZINC000019712647	818602396	/nfs/dbraw/zinc/60/23/96/818602396.db2.gz	AYILMSQHKQEMKP-ZDXQCDESSA-N	2	1	397.607	4.025	40	0		GIABMP
CNc1cc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759812	818605046	/nfs/dbraw/zinc/60/50/46/818605046.db2.gz	TZJWMVIPVWSXTI-QFIPXVFZSA-N	2	1	387.531	4.242	40	0		GIABMP
CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759812	818605052	/nfs/dbraw/zinc/60/50/52/818605052.db2.gz	TZJWMVIPVWSXTI-QFIPXVFZSA-N	2	1	387.531	4.242	40	0		GIABMP
COc1cc2c(cc1OC)[C@@H](CC1=CC[N@H+]3CCC4=C(C=CCC4)[C@@H]3C1)[NH2+]CC2	ZINC000004972682	570420348	/nfs/dbraw/zinc/42/03/48/570420348.db2.gz	VNXARYBCEIRABX-PKTZIBPZSA-N	2	1	392.543	4.332	40	0		GIABMP
CCn1c2ccccc2nc1C[N@H+](CCCn1ccnc1)Cc1cccc(F)c1	ZINC000043277706	570626175	/nfs/dbraw/zinc/62/61/75/570626175.db2.gz	FGJZEVOPDWNLDD-UHFFFAOYSA-N	2	1	391.494	4.484	40	0		GIABMP
Cc1ccc(C[N@@H+](CCCn2ccnc2)Cc2cccn2-c2cc[nH+]cc2)o1	ZINC000043277759	570626316	/nfs/dbraw/zinc/62/63/16/570626316.db2.gz	NIFZQGSHQBWSBY-UHFFFAOYSA-N	3	1	375.476	4.063	40	0		GIABMP
C[NH2+]C1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)C[C@@H](C)O3)Cc1ccccc1O2	ZINC000019498212	570990863	/nfs/dbraw/zinc/99/08/63/570990863.db2.gz	GIRFKBVNBPRRRG-KJIJUEMSSA-N	2	1	392.543	4.305	40	0		GIABMP
O=C(c1ccc(C[NH+]2CCCCCC2)cc1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000038850804	570587805	/nfs/dbraw/zinc/58/78/05/570587805.db2.gz	DNBSAGYGHYPMTH-UHFFFAOYSA-N	2	1	391.559	4.021	40	0		GIABMP
COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](Cc1ccsc1)CC2	ZINC000247822157	570716133	/nfs/dbraw/zinc/71/61/33/570716133.db2.gz	DJJMFNATTPEOFW-GOSISDBHSA-N	2	1	376.591	4.170	40	0		GIABMP
Cn1cc2c(n1)C1(CC[NH+](Cc3ccccc3)CC1)C[N@@H+](Cc1cccs1)C2	ZINC000306130488	570939382	/nfs/dbraw/zinc/93/93/82/570939382.db2.gz	JHUDNUOKRZIEGT-UHFFFAOYSA-N	2	1	392.572	4.031	40	0		GIABMP
Cn1cc2c(n1)C1(CC[NH+](Cc3ccccc3)CC1)C[N@H+](Cc1cccs1)C2	ZINC000306130488	570939383	/nfs/dbraw/zinc/93/93/83/570939383.db2.gz	JHUDNUOKRZIEGT-UHFFFAOYSA-N	2	1	392.572	4.031	40	0		GIABMP
Cc1nn(-c2ccccc2C)c(C)c1C[N@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1	ZINC000019659063	571025023	/nfs/dbraw/zinc/02/50/23/571025023.db2.gz	QNGWKNYKJHDECJ-OAQYLSRUSA-N	2	1	377.536	4.215	40	0		GIABMP
Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+]1CCC[C@@H](Cn2cc[nH+]c2C)C1	ZINC000019659063	571025024	/nfs/dbraw/zinc/02/50/24/571025024.db2.gz	QNGWKNYKJHDECJ-OAQYLSRUSA-N	2	1	377.536	4.215	40	0		GIABMP
Cc1noc(C)c1COc1ccc(C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)cc1	ZINC000019715497	571037191	/nfs/dbraw/zinc/03/71/91/571037191.db2.gz	IEWKAJUUZMXHCN-UHFFFAOYSA-N	2	1	394.519	4.288	40	0		GIABMP
CCn1cc(C[N@H+]2CC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cn1	ZINC000257320290	570780840	/nfs/dbraw/zinc/78/08/40/570780840.db2.gz	VWBPCZQSGKVHJP-LJQANCHMSA-N	2	1	391.519	4.348	40	0		GIABMP
CCn1cc(C[N@@H+]2CC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)[nH+]3)C2)cn1	ZINC000257320290	570780843	/nfs/dbraw/zinc/78/08/43/570780843.db2.gz	VWBPCZQSGKVHJP-LJQANCHMSA-N	2	1	391.519	4.348	40	0		GIABMP
CC(C)c1ncc(C[N@@H+](C)C2CCC3(CC2)C[NH+](C)Cc2ccccc2O3)cn1	ZINC000019453910	570986825	/nfs/dbraw/zinc/98/68/25/570986825.db2.gz	AHGPZNTZGLNDGD-UHFFFAOYSA-N	2	1	394.563	4.238	40	0		GIABMP
CC(C)c1ncc(C[NH+](C)C2CCC3(CC2)C[N@H+](C)Cc2ccccc2O3)cn1	ZINC000019453910	570986828	/nfs/dbraw/zinc/98/68/28/570986828.db2.gz	AHGPZNTZGLNDGD-UHFFFAOYSA-N	2	1	394.563	4.238	40	0		GIABMP
CC(C)c1ncc(C[NH+](C)C2CCC3(CC2)C[N@@H+](C)Cc2ccccc2O3)cn1	ZINC000019453910	570986830	/nfs/dbraw/zinc/98/68/30/570986830.db2.gz	AHGPZNTZGLNDGD-UHFFFAOYSA-N	2	1	394.563	4.238	40	0		GIABMP
COc1cc(C)c(C[N@@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C	ZINC000019566944	571008297	/nfs/dbraw/zinc/00/82/97/571008297.db2.gz	OCPJBNNQDBDBKP-QFIPXVFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[N@H+]2CCCC[C@H]2c2ncc3c(n2)CC[NH+](C)C3)c(C)c1C	ZINC000019566944	571008299	/nfs/dbraw/zinc/00/82/99/571008299.db2.gz	OCPJBNNQDBDBKP-QFIPXVFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)c(C)c1C	ZINC000019566944	571008301	/nfs/dbraw/zinc/00/83/01/571008301.db2.gz	OCPJBNNQDBDBKP-QFIPXVFZSA-N	2	1	394.563	4.126	40	0		GIABMP
COc1cc(C)c(C[NH+]2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C	ZINC000019566944	571008303	/nfs/dbraw/zinc/00/83/03/571008303.db2.gz	OCPJBNNQDBDBKP-QFIPXVFZSA-N	2	1	394.563	4.126	40	0		GIABMP
C[N@@H+]1CCc2nc(C3CC[NH+](Cc4cccc(Cl)c4Cl)CC3)ncc2C1	ZINC000019590719	571018746	/nfs/dbraw/zinc/01/87/46/571018746.db2.gz	ODSPOJSZPXADPW-UHFFFAOYSA-N	2	1	391.346	4.151	40	0		GIABMP
C[N@H+]1CCc2nc(C3CC[NH+](Cc4cccc(Cl)c4Cl)CC3)ncc2C1	ZINC000019590719	571018747	/nfs/dbraw/zinc/01/87/47/571018747.db2.gz	ODSPOJSZPXADPW-UHFFFAOYSA-N	2	1	391.346	4.151	40	0		GIABMP