smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216366	257125429	/nfs/dbraw/zinc/12/54/29/257125429.db2.gz	APAFRMFNRHLTQB-QGZVFWFLSA-N	2	0	302.466	2.818	40	0		DFABRP
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCCN2C3)[NH2+]C1	ZINC000004081270	425617630	/nfs/dbraw/zinc/61/76/30/425617630.db2.gz	YUKCLPPRYNXRAF-JWLCQNFESA-N	2	0	317.521	2.761	40	0		DFABRP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096047992	426390769	/nfs/dbraw/zinc/39/07/69/426390769.db2.gz	FRPSPZADSIBYBL-GOSISDBHSA-N	2	0	315.461	2.547	40	0		DFABRP
CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3sccc3C)C2)C1	ZINC000096220210	426409696	/nfs/dbraw/zinc/40/96/96/426409696.db2.gz	OZGPMADUMVFMDR-NVXWUHKLSA-N	2	0	308.491	2.847	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2)CC1	ZINC000100177596	426481538	/nfs/dbraw/zinc/48/15/38/426481538.db2.gz	OBOLWGRFFHJTPT-KSZLIROESA-N	2	0	317.477	2.529	40	0		DFABRP
CC(C)C[C@H](C[NH3+])CC(=O)O[C@@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000585141559	398435777	/nfs/dbraw/zinc/43/57/77/398435777.db2.gz	XHIWYSCXPHQACJ-ZWKOTPCHSA-N	2	0	318.461	2.815	40	0		DFABRP
CCCC[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216528	257125050	/nfs/dbraw/zinc/12/50/50/257125050.db2.gz	WOKQHUKPOCBTBK-KRWDZBQOSA-N	2	0	302.466	2.770	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccoc1)CC2	ZINC000096051747	426392202	/nfs/dbraw/zinc/39/22/02/426392202.db2.gz	RAIIRDXJPXZERH-KRWDZBQOSA-N	2	0	306.450	2.991	40	0		DFABRP
COc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)cc1	ZINC000096056661	426392437	/nfs/dbraw/zinc/39/24/37/426392437.db2.gz	BQKXQHBZUPUKRP-QRQLOZEOSA-N	2	0	318.461	2.625	40	0		DFABRP
CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](CCc3ccccc3)C2)C1	ZINC000096215510	426408495	/nfs/dbraw/zinc/40/84/95/426408495.db2.gz	MYNAXDYPBHQZMW-RTBURBONSA-N	2	0	302.462	2.519	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000096208141	426408519	/nfs/dbraw/zinc/40/85/19/426408519.db2.gz	SUEYMKVBDXJKTH-QGZVFWFLSA-N	2	0	318.461	2.628	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1	ZINC000100177591	426481404	/nfs/dbraw/zinc/48/14/04/426481404.db2.gz	NWVYPSHAWJEVKR-RYQLBKOJSA-N	2	0	317.477	2.672	40	0		DFABRP
CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H](C)C1	ZINC000195548895	426539483	/nfs/dbraw/zinc/53/94/83/426539483.db2.gz	KZYVQLMELLATGB-JKSUJKDBSA-N	2	0	314.477	2.826	40	0		DFABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](CCc1ccccc1)CC2	ZINC000248157212	426983878	/nfs/dbraw/zinc/98/38/78/426983878.db2.gz	VYTMQAYAGONZKG-SFHVURJKSA-N	2	0	302.462	2.519	40	0		DFABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](C1CCCC1)CC2	ZINC000585104326	398433254	/nfs/dbraw/zinc/43/32/54/398433254.db2.gz	YZJMZXXSJLUBGR-QGZVFWFLSA-N	2	0	306.494	2.999	40	0		DFABRP
c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1	ZINC000072216271	257124674	/nfs/dbraw/zinc/12/46/74/257124674.db2.gz	POFLDLVBJKEMKI-LJQANCHMSA-N	2	0	322.456	2.828	40	0		DFABRP
CCC[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216600	257125020	/nfs/dbraw/zinc/12/50/20/257125020.db2.gz	FKONYWIWMBVIEX-QGZVFWFLSA-N	2	0	302.466	2.770	40	0		DFABRP
c1cc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cs1	ZINC000096047945	426390982	/nfs/dbraw/zinc/39/09/82/426390982.db2.gz	JERWLJAJCUKIEK-MRXNPFEDSA-N	2	0	306.475	2.967	40	0		DFABRP
C(CCCCC[NH+]1CCOCC1)CCCC[NH+]1CCOCC1	ZINC000004411110	181107553	/nfs/dbraw/zinc/10/75/53/181107553.db2.gz	URFLRHXRNHMJAF-UHFFFAOYSA-N	2	0	312.498	2.772	40	0		DFABRP
C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1	ZINC000194473797	201234776	/nfs/dbraw/zinc/23/47/76/201234776.db2.gz	MZDGCHDZQJLKNX-IRXDYDNUSA-N	2	0	302.462	2.881	40	0		DFABRP
C[C@@H]1c2ccsc2CC[N@H+]1CC(C)(C)CN1CC[NH+](C)CC1	ZINC000019498346	182126013	/nfs/dbraw/zinc/12/60/13/182126013.db2.gz	JSFNGVKTERVXQG-OAHLLOKOSA-N	2	0	321.534	2.941	40	0		DFABRP
CC(C)C[N@@H+]1CCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216526	257124926	/nfs/dbraw/zinc/12/49/26/257124926.db2.gz	BZBXJFATXIPELZ-KRWDZBQOSA-N	2	0	302.466	2.626	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)C1CCC(NC(=O)[C@H](C)[NH3+])CC1	ZINC000079415576	185170737	/nfs/dbraw/zinc/17/07/37/185170737.db2.gz	NWVYPSHAWJEVKR-ZLPCBKJTSA-N	2	0	317.477	2.672	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1	ZINC000079415777	185170986	/nfs/dbraw/zinc/17/09/86/185170986.db2.gz	MAXBEYWPSYQWFY-BZSNNMDCSA-N	2	0	317.477	2.529	40	0		DFABRP
CCn1cc(C[N@@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1	ZINC000257336651	203058002	/nfs/dbraw/zinc/05/80/02/203058002.db2.gz	YPJPCZIKSDEOJZ-OAHLLOKOSA-N	2	0	313.449	2.946	40	0		DFABRP
CC[NH+](CC)CCOc1cccc(NC(=O)C[NH+](CC)CC)c1	ZINC000001587108	425583279	/nfs/dbraw/zinc/58/32/79/425583279.db2.gz	IWHHBTGPNKZAEP-UHFFFAOYSA-N	2	0	321.465	2.688	40	0		DFABRP
c1csc(C[N@H+]2CCc3ncc(C[NH+]4CCCC4)n3CC2)c1	ZINC000096196850	426405926	/nfs/dbraw/zinc/40/59/26/426405926.db2.gz	AMUSTGVYZHQETJ-UHFFFAOYSA-N	2	0	316.474	2.599	40	0		DFABRP
C[N@H+](Cc1ccco1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048029	426391161	/nfs/dbraw/zinc/39/11/61/426391161.db2.gz	PHTMCZPSZQSKRD-INIZCTEOSA-N	2	0	304.434	2.745	40	0		DFABRP
Cc1cc(C)cc(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1	ZINC000096205887	426408559	/nfs/dbraw/zinc/40/85/59/426408559.db2.gz	WVINCFDCOYQECU-RTBURBONSA-N	2	0	302.462	2.989	40	0		DFABRP
CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3n2C)[C@@H](C)C1	ZINC000195548898	426538349	/nfs/dbraw/zinc/53/83/49/426538349.db2.gz	KZYVQLMELLATGB-HOTGVXAUSA-N	2	0	314.477	2.826	40	0		DFABRP
CCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12	ZINC000195559945	426538403	/nfs/dbraw/zinc/53/84/03/426538403.db2.gz	QFTVYFGYGIYQGL-YZGWKJHDSA-N	2	0	324.472	2.903	40	0		DFABRP
C[C@H]1[C@H](CC[NH+](C)C)COCC[N@@H+]1Cc1ccc(F)c(F)c1	ZINC000248132911	426985042	/nfs/dbraw/zinc/98/50/42/426985042.db2.gz	QWNWSYRBYBGUSZ-DZGCQCFKSA-N	2	0	312.404	2.753	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415581	185170628	/nfs/dbraw/zinc/17/06/28/185170628.db2.gz	GXQYMQSOVDRBTG-JQHSSLGASA-N	2	0	317.477	2.672	40	0		DFABRP
COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000004325887	181097910	/nfs/dbraw/zinc/09/79/10/181097910.db2.gz	ASIXXJPWMHNLIN-YCPHGPKFSA-N	2	0	306.450	2.565	40	0		DFABRP
CC(C)C[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216585	257125300	/nfs/dbraw/zinc/12/53/00/257125300.db2.gz	VQFVALZGIJGCHU-QGZVFWFLSA-N	2	0	302.466	2.626	40	0		DFABRP
CC1CC[NH+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)CC1	ZINC000030946684	425833405	/nfs/dbraw/zinc/83/34/05/425833405.db2.gz	QOZGOPIZFZNIDH-UHFFFAOYSA-N	2	0	317.477	2.600	40	0		DFABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCCCN1C(=O)[C@H](C)[NH3+]	ZINC000079415559	426191284	/nfs/dbraw/zinc/19/12/84/426191284.db2.gz	YRJOIHDDZZOEJZ-FUHWJXTLSA-N	2	0	317.477	2.625	40	0		DFABRP
C[N@H+](Cc1ccncc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048091	426390759	/nfs/dbraw/zinc/39/07/59/426390759.db2.gz	FPHIRMCLRVTPBN-SFHVURJKSA-N	2	0	315.461	2.547	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096207847	426407175	/nfs/dbraw/zinc/40/71/75/426407175.db2.gz	JOHYMYOTMYCZCZ-HNNXBMFYSA-N	2	0	308.491	2.989	40	0		DFABRP
CN(C[C@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000248165047	341374161	/nfs/dbraw/zinc/37/41/61/341374161.db2.gz	ZJCBWPZEZZIFBU-UXHICEINSA-N	2	0	315.505	2.782	40	0		DFABRP
C[N@@H+]1C[C@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000585102683	398432132	/nfs/dbraw/zinc/43/21/32/398432132.db2.gz	ATVYODXKUIESDE-QGZVFWFLSA-N	2	0	318.461	2.850	40	0		DFABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)cc1)CC2	ZINC000585104257	398433393	/nfs/dbraw/zinc/43/33/93/398433393.db2.gz	XLGAYQSJRYXWMR-INIZCTEOSA-N	2	0	306.425	2.616	40	0		DFABRP
Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]1	ZINC000072386145	191145359	/nfs/dbraw/zinc/14/53/59/191145359.db2.gz	LMGLPKAVJKZJPY-MRXNPFEDSA-N	2	0	303.450	2.672	40	0		DFABRP
COc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC	ZINC000004325885	181097736	/nfs/dbraw/zinc/09/77/36/181097736.db2.gz	ASIXXJPWMHNLIN-FMKPAKJESA-N	2	0	306.450	2.565	40	0		DFABRP
Cc1cc(N(C)C)cc([C@@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1	ZINC000257299438	203023423	/nfs/dbraw/zinc/02/34/23/203023423.db2.gz	RQBZMHALXGKVHQ-CYBMUJFWSA-N	2	0	302.447	2.902	40	0		DFABRP
Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@H]([NH3+])c1ccccc1	ZINC000072224760	257123464	/nfs/dbraw/zinc/12/34/64/257123464.db2.gz	FDXROKGVPQOLSY-HXUWFJFHSA-N	2	0	324.472	2.969	40	0		DFABRP
c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2N2CC[NH2+]CC2)cc1	ZINC000072216331	257125084	/nfs/dbraw/zinc/12/50/84/257125084.db2.gz	AAWWVCMRDLGASW-LJQANCHMSA-N	2	0	322.456	2.828	40	0		DFABRP
CCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216540	257125108	/nfs/dbraw/zinc/12/51/08/257125108.db2.gz	ARDCAJDZZRFHDR-QGZVFWFLSA-N	2	0	302.466	2.770	40	0		DFABRP
CCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216601	257125197	/nfs/dbraw/zinc/12/51/97/257125197.db2.gz	FKONYWIWMBVIEX-KRWDZBQOSA-N	2	0	302.466	2.770	40	0		DFABRP
CC(C)[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216602	257125459	/nfs/dbraw/zinc/12/54/59/257125459.db2.gz	VGBDJSYSOXRUHZ-QGZVFWFLSA-N	2	0	302.466	2.769	40	0		DFABRP
c1csc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)c1	ZINC000096056232	426392104	/nfs/dbraw/zinc/39/21/04/426392104.db2.gz	AXBADEOAZKYHTK-BHYGNILZSA-N	2	0	306.475	2.681	40	0		DFABRP
c1cc(C[N@@H+]2CC[C@]3(C2)C[C@@H]([NH+]2CCCC2)CCO3)cs1	ZINC000096217204	426408202	/nfs/dbraw/zinc/40/82/02/426408202.db2.gz	XWYAQYSNFXUOLD-DLBZAZTESA-N	2	0	306.475	2.967	40	0		DFABRP
CCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195559949	426538192	/nfs/dbraw/zinc/53/81/92/426538192.db2.gz	QFTVYFGYGIYQGL-YSIASYRMSA-N	2	0	324.472	2.903	40	0		DFABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](CCc1ccccc1)CC2	ZINC000248157207	426983195	/nfs/dbraw/zinc/98/31/95/426983195.db2.gz	VYTMQAYAGONZKG-GOSISDBHSA-N	2	0	302.462	2.519	40	0		DFABRP
c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(N3CC[NH2+]CC3)nc2)cc1	ZINC000072216272	257124992	/nfs/dbraw/zinc/12/49/92/257124992.db2.gz	POFLDLVBJKEMKI-IBGZPJMESA-N	2	0	322.456	2.828	40	0		DFABRP
Cc1cc(N2CC[NH+](CC(C)C)CC2)cc([C@@H]2CCC[NH2+]2)n1	ZINC000019698257	425789568	/nfs/dbraw/zinc/78/95/68/425789568.db2.gz	GWOZUDNYYIAUMY-KRWDZBQOSA-N	2	0	302.466	2.593	40	0		DFABRP
c1cc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cs1	ZINC000096047944	426390648	/nfs/dbraw/zinc/39/06/48/426390648.db2.gz	JERWLJAJCUKIEK-INIZCTEOSA-N	2	0	306.475	2.967	40	0		DFABRP
CCn1nccc1C[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195559948	426539224	/nfs/dbraw/zinc/53/92/24/426539224.db2.gz	QFTVYFGYGIYQGL-HOJAQTOUSA-N	2	0	324.472	2.903	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](NC(=O)[C@H](C)[NH3+])CC1	ZINC000248000347	426971063	/nfs/dbraw/zinc/97/10/63/426971063.db2.gz	NWVYPSHAWJEVKR-SZMVWBNQSA-N	2	0	317.477	2.672	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1	ZINC000079415772	276020302	/nfs/dbraw/zinc/02/03/02/276020302.db2.gz	MAXBEYWPSYQWFY-SQNIBIBYSA-N	2	0	317.477	2.529	40	0		DFABRP
C[NH+](C)Cc1ccc(C(=O)NCC(C)(C)[NH+]2CCCCC2)cc1	ZINC000019657465	182135241	/nfs/dbraw/zinc/13/52/41/182135241.db2.gz	QGAFOGSJNKCVEY-UHFFFAOYSA-N	2	0	317.477	2.743	40	0		DFABRP
C[NH+](C)CCN1CC[NH+](CC2(c3ccc(Cl)cc3)CC2)CC1	ZINC000019582862	182132497	/nfs/dbraw/zinc/13/24/97/182132497.db2.gz	IEKLDGWQEAETGD-UHFFFAOYSA-N	2	0	321.896	2.551	40	0		DFABRP
CCCC[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216367	257124953	/nfs/dbraw/zinc/12/49/53/257124953.db2.gz	APAFRMFNRHLTQB-KRWDZBQOSA-N	2	0	302.466	2.818	40	0		DFABRP
[NH3+][C@H](CCC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001608375	425583796	/nfs/dbraw/zinc/58/37/96/425583796.db2.gz	JCHQLSDKMKCVTK-IAGOWNOFSA-N	2	0	310.397	2.577	40	0		DFABRP
COc1ccccc1C[NH+]1CCC2(CC1)C[C@H]([NH+](C)C)CCO2	ZINC000108536707	426018868	/nfs/dbraw/zinc/01/88/68/426018868.db2.gz	ZPJDJOMUDDTDHO-QGZVFWFLSA-N	2	0	318.461	2.770	40	0		DFABRP
c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cccnc2)CC3)c1	ZINC000096046514	426391475	/nfs/dbraw/zinc/39/14/75/426391475.db2.gz	LWGJFEQDTMDJGT-UHFFFAOYSA-N	2	0	322.456	2.965	40	0		DFABRP
Cc1cc(N2CC[NH+](C3CCCC3)CC2)cc([C@H]2CC[NH2+]C2)[nH+]1	ZINC000019739113	398408498	/nfs/dbraw/zinc/40/84/98/398408498.db2.gz	YNNCCJVAGHJRSL-INIZCTEOSA-N	3	0	314.477	2.532	40	0		DFABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)cc1)CC2	ZINC000585104258	398433501	/nfs/dbraw/zinc/43/35/01/398433501.db2.gz	XLGAYQSJRYXWMR-MRXNPFEDSA-N	2	0	306.425	2.616	40	0		DFABRP
CC(C)C[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216365	257124834	/nfs/dbraw/zinc/12/48/34/257124834.db2.gz	AKAQEGNNAAFLKC-KRWDZBQOSA-N	2	0	302.466	2.674	40	0		DFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)o1	ZINC000096056235	426393631	/nfs/dbraw/zinc/39/36/31/426393631.db2.gz	KUHLOBNREZYWCG-RYQLBKOJSA-N	2	0	304.434	2.521	40	0		DFABRP
C[NH+](C)CCOc1cc(C[NH2+][C@H]2CCCc3occc32)ccn1	ZINC000193059133	427658386	/nfs/dbraw/zinc/65/83/86/427658386.db2.gz	QVIXMBRBCHEIJC-INIZCTEOSA-N	2	0	315.417	2.782	40	0		DFABRP
CCn1cc(C[N@@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)c(C)n1	ZINC000257336650	203058486	/nfs/dbraw/zinc/05/84/86/203058486.db2.gz	YPJPCZIKSDEOJZ-HNNXBMFYSA-N	2	0	313.449	2.946	40	0		DFABRP
Cc1ccccc1CCC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1	ZINC000084695232	542514212	/nfs/dbraw/zinc/51/42/12/542514212.db2.gz	PINOKWHZEUKOJE-HXUWFJFHSA-N	2	0	315.505	2.639	40	0		DFABRP
Cc1ccccc1CCC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1	ZINC000084695233	542514281	/nfs/dbraw/zinc/51/42/81/542514281.db2.gz	PINOKWHZEUKOJE-FQEVSTJZSA-N	2	0	315.505	2.639	40	0		DFABRP
CC(C)[NH+]1CCN(c2ccc([C@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072225620	257123336	/nfs/dbraw/zinc/12/33/36/257123336.db2.gz	OMUKJWDRROLVLC-LJQANCHMSA-N	2	0	310.445	2.660	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccccn1)CC2	ZINC000096051761	426393499	/nfs/dbraw/zinc/39/34/99/426393499.db2.gz	FVPBGHZGZPHIDJ-SFHVURJKSA-N	2	0	317.477	2.793	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](CCc1ccccc1)CC2	ZINC000096207513	426408153	/nfs/dbraw/zinc/40/81/53/426408153.db2.gz	IUWBHPGGRNFKEC-GOSISDBHSA-N	2	0	302.462	2.662	40	0		DFABRP
CCOC(=O)[C@@H](CN)[C@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351589	426557620	/nfs/dbraw/zinc/55/76/20/426557620.db2.gz	ZVWBFUVUIJMJET-QGWWYQLQSA-N	2	0	322.493	2.805	40	0		DFABRP
Cc1cc(CN2CC[C@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1	ZINC000257207241	427309119	/nfs/dbraw/zinc/30/91/19/427309119.db2.gz	BGZHPGIDMBUCCH-AWEZNQCLSA-N	2	0	300.406	2.742	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](C(F)(F)F)C2)CC1	ZINC000192715934	427594650	/nfs/dbraw/zinc/59/46/50/427594650.db2.gz	MUJXBVUKLMAMGM-HNNXBMFYSA-N	2	0	321.431	2.677	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](C(F)(F)F)C2)CC1	ZINC000192715947	427595520	/nfs/dbraw/zinc/59/55/20/427595520.db2.gz	MUJXBVUKLMAMGM-OAHLLOKOSA-N	2	0	321.431	2.677	40	0		DFABRP
CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@@H+]2CC2CCCCC2)n1	ZINC000019760533	398408531	/nfs/dbraw/zinc/40/85/31/398408531.db2.gz	BHJLRXXQKALMJV-MRXNPFEDSA-N	2	0	317.481	2.955	40	0		DFABRP
CC[NH+](CC)CCC[NH2+][C@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O	ZINC000585289693	398439671	/nfs/dbraw/zinc/43/96/71/398439671.db2.gz	VEXCRVXQDZVBQY-IPMKNSEASA-N	2	0	320.477	2.669	40	0		DFABRP
C[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1	ZINC000194300399	186278832	/nfs/dbraw/zinc/27/88/32/186278832.db2.gz	KTWRFSTVIAVJGX-KRWDZBQOSA-N	2	0	324.472	2.727	40	0		DFABRP
CCCc1n(C)cc[n+]1CCCCC[n+]1ccn(C)c1CCC	ZINC000585151859	543460593	/nfs/dbraw/zinc/46/05/93/543460593.db2.gz	KSSMIALDMUYJPS-UHFFFAOYSA-N	2	0	318.509	2.714	40	0		DFABRP
Cc1nc(C[NH+]2CC[C@H]3CO[C@H](C[N@@H+](C)C(C)C)[C@H]3C2)cs1	ZINC000107202312	425986479	/nfs/dbraw/zinc/98/64/79/425986479.db2.gz	SBUFHSUMCABGFK-BHYGNILZSA-N	2	0	323.506	2.629	40	0		DFABRP
CC(C)(C)[NH2+][C@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096074128	426396183	/nfs/dbraw/zinc/39/61/83/426396183.db2.gz	CSJOOBLGTBPQOD-MRXNPFEDSA-N	2	0	303.450	2.593	40	0		DFABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C(C)C)CC2	ZINC000585104277	398433234	/nfs/dbraw/zinc/43/32/34/398433234.db2.gz	XYNCVKPGGVYKCN-INIZCTEOSA-N	2	0	306.450	2.848	40	0		DFABRP
[NH3+]CCCC[NH+]1CCN(c2ccc(Cl)c(Cl)c2)CC1	ZINC000138766812	398880302	/nfs/dbraw/zinc/88/03/02/398880302.db2.gz	RKFLCDRQGFRNHE-UHFFFAOYSA-N	2	0	302.249	2.854	40	0		DFABRP
Cc1cc(N(C)C)cc([C@H]2CC[N@H+](CC3CCOCC3)C2)[nH+]1	ZINC000072386146	426015048	/nfs/dbraw/zinc/01/50/48/426015048.db2.gz	LMGLPKAVJKZJPY-INIZCTEOSA-N	2	0	303.450	2.672	40	0		DFABRP
c1nc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3CNc2cc[nH+]cc2)c[nH]1	ZINC000096081940	426396612	/nfs/dbraw/zinc/39/66/12/426396612.db2.gz	ABARKGWVVMXLEA-HDMKZQKVSA-N	2	0	311.433	2.765	40	0		DFABRP
c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)nc1	ZINC000096046513	426391518	/nfs/dbraw/zinc/39/15/18/426391518.db2.gz	HNKZRFNNBHGZBN-UHFFFAOYSA-N	2	0	322.456	2.965	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](CCc1ccccc1)CC2	ZINC000096207514	426407437	/nfs/dbraw/zinc/40/74/37/426407437.db2.gz	IUWBHPGGRNFKEC-SFHVURJKSA-N	2	0	302.462	2.662	40	0		DFABRP
C[C@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccc(F)cc1	ZINC000195572807	426539464	/nfs/dbraw/zinc/53/94/64/426539464.db2.gz	WWUKWJXTYSWKRU-QGZVFWFLSA-N	2	0	319.468	2.643	40	0		DFABRP
CCOC(=O)[C@@H](CN)[C@@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351690	426556896	/nfs/dbraw/zinc/55/68/96/426556896.db2.gz	ZVWBFUVUIJMJET-QXGSTGNESA-N	2	0	322.493	2.805	40	0		DFABRP
CN(C[C@@H]1CC[N@H+](C)C1)C[C@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000248165048	341374179	/nfs/dbraw/zinc/37/41/79/341374179.db2.gz	ZJCBWPZEZZIFBU-WOJBJXKFSA-N	2	0	315.505	2.782	40	0		DFABRP
CC[NH+](CC)C[C@H]1CO[C@@H]2C[N@H+](Cc3sccc3C)C[C@H]12	ZINC000306135039	528185397	/nfs/dbraw/zinc/18/53/97/528185397.db2.gz	OFNQDRYHUCBMQQ-ARFHVFGLSA-N	2	0	308.491	2.845	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)NC1CCC([N@H+](C)Cc2ccccc2)CC1	ZINC000079415770	185170612	/nfs/dbraw/zinc/17/06/12/185170612.db2.gz	OBOLWGRFFHJTPT-ABHNRTSZSA-N	2	0	317.477	2.529	40	0		DFABRP
CCCCOC[C@@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000195215933	201359724	/nfs/dbraw/zinc/35/97/24/201359724.db2.gz	VPEAKMUWRBWQLP-YJBOKZPZSA-N	2	0	317.433	2.701	40	0		DFABRP
Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@@H]([NH3+])c1ccccc1	ZINC000072223716	257123776	/nfs/dbraw/zinc/12/37/76/257123776.db2.gz	QJYYGVHULMUGLE-FQEVSTJZSA-N	2	0	324.472	2.969	40	0		DFABRP
C1CC[C@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@@H]2CCCCN2C3)[NH2+]C1	ZINC000063818480	425901153	/nfs/dbraw/zinc/90/11/53/425901153.db2.gz	YUKCLPPRYNXRAF-FFDFYAMSSA-N	2	0	317.521	2.761	40	0		DFABRP
[NH3+][C@@H](CCCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001608378	425583563	/nfs/dbraw/zinc/58/35/63/425583563.db2.gz	JITNRAXEOGIKMS-ROUUACIJSA-N	2	0	324.424	2.967	40	0		DFABRP
Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]([NH+]3CCCC3)CO2)CC1	ZINC000096158642	426403778	/nfs/dbraw/zinc/40/37/78/426403778.db2.gz	LPFCAONRULEGJT-MRXNPFEDSA-N	2	0	319.449	2.511	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc(C)s1)CC2	ZINC000096207846	426407865	/nfs/dbraw/zinc/40/78/65/426407865.db2.gz	JOHYMYOTMYCZCZ-OAHLLOKOSA-N	2	0	308.491	2.989	40	0		DFABRP
C[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)c1ccc(F)cc1	ZINC000195572803	426538422	/nfs/dbraw/zinc/53/84/22/426538422.db2.gz	WWUKWJXTYSWKRU-KRWDZBQOSA-N	2	0	319.468	2.643	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3C[C@@H]2C)CC1	ZINC000192746476	427603213	/nfs/dbraw/zinc/60/32/13/427603213.db2.gz	MPQBBHLRDZVZOG-SFHVURJKSA-N	2	0	315.505	2.849	40	0		DFABRP
C[N@@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1	ZINC000096079600	277209013	/nfs/dbraw/zinc/20/90/13/277209013.db2.gz	RFPPKERHGFBWFU-UHFFFAOYSA-N	2	0	300.446	2.645	40	0		DFABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](Cc1ccco1)CC2	ZINC000585102681	398431920	/nfs/dbraw/zinc/43/19/20/398431920.db2.gz	ATVYODXKUIESDE-KRWDZBQOSA-N	2	0	318.461	2.850	40	0		DFABRP
COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585103977	398432358	/nfs/dbraw/zinc/43/23/58/398432358.db2.gz	VBAFNZYHHBYUOS-HNNXBMFYSA-N	2	0	308.491	2.847	40	0		DFABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1O	ZINC000585288847	398439329	/nfs/dbraw/zinc/43/93/29/398439329.db2.gz	KFLQVWGBZZDUPU-QXAKKESOSA-N	2	0	320.477	2.587	40	0		DFABRP
CC(C)C[C@H](C[NH3+])CC(=O)OCC[N@H+](C)Cc1ccccc1	ZINC000585141231	398435957	/nfs/dbraw/zinc/43/59/57/398435957.db2.gz	RRXAHPNSQKCLKH-KRWDZBQOSA-N	2	0	306.450	2.673	40	0		DFABRP
CCCCOC[C@H](O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1	ZINC000195215924	201359167	/nfs/dbraw/zinc/35/91/67/201359167.db2.gz	VPEAKMUWRBWQLP-MAUKXSAKSA-N	2	0	317.433	2.701	40	0		DFABRP
CC(C)C[N@@H+]1CCCC[C@@H]1c1cccnc1N1CC[NH2+]CC1	ZINC000072216364	257125607	/nfs/dbraw/zinc/12/56/07/257125607.db2.gz	AKAQEGNNAAFLKC-QGZVFWFLSA-N	2	0	302.466	2.674	40	0		DFABRP
C[C@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C1	ZINC000030946689	425833202	/nfs/dbraw/zinc/83/32/02/425833202.db2.gz	ZFKLZPWDISNZDG-INIZCTEOSA-N	2	0	317.477	2.600	40	0		DFABRP
Fc1cccc(C[NH+]2CCC3(CC[N@@H+]([C@@H]4CCOC4)C3)CC2)c1	ZINC000107190972	425985613	/nfs/dbraw/zinc/98/56/13/425985613.db2.gz	PMMWUCMUDDRCDZ-GOSISDBHSA-N	2	0	318.436	2.903	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccncc1)CC2	ZINC000096051762	426392598	/nfs/dbraw/zinc/39/25/98/426392598.db2.gz	UZMWVFRNMJCXGL-GOSISDBHSA-N	2	0	317.477	2.793	40	0		DFABRP
c1cc(C[N@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)cs1	ZINC000096056234	426393399	/nfs/dbraw/zinc/39/33/99/426393399.db2.gz	WCIQUZNDORSWNH-YESZJQIVSA-N	2	0	306.475	2.681	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccoc1)CC2	ZINC000096051746	426393432	/nfs/dbraw/zinc/39/34/32/426393432.db2.gz	RAIIRDXJPXZERH-QGZVFWFLSA-N	2	0	306.450	2.991	40	0		DFABRP
C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCc3occc32)ccn1	ZINC000193059120	276792555	/nfs/dbraw/zinc/79/25/55/276792555.db2.gz	QVIXMBRBCHEIJC-MRXNPFEDSA-N	2	0	315.417	2.782	40	0		DFABRP
Cc1ccsc1C[N@@H+]1C[C@H]2OC[C@H](C[NH+]3CCCC3)[C@H]2C1	ZINC000306134415	534472161	/nfs/dbraw/zinc/47/21/61/534472161.db2.gz	NMSFEKJVYLGGBE-ARFHVFGLSA-N	2	0	306.475	2.599	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415595	185170587	/nfs/dbraw/zinc/17/05/87/185170587.db2.gz	GXQYMQSOVDRBTG-SZMVWBNQSA-N	2	0	317.477	2.672	40	0		DFABRP
CCOC(=O)c1c(C)c(C[NH2+]C(C)C)n(C[NH2+]C(C)C)c1C	ZINC000001679627	180886909	/nfs/dbraw/zinc/88/69/09/180886909.db2.gz	FVQPUCICYPQZED-UHFFFAOYSA-N	2	0	309.454	2.735	40	0		DFABRP
CCCCOC[C@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1	ZINC000195215945	201360291	/nfs/dbraw/zinc/36/02/91/201360291.db2.gz	VPEAKMUWRBWQLP-CRAIPNDOSA-N	2	0	317.433	2.701	40	0		DFABRP
c1ccc2c(c1)NC1(CC[NH+](CC3CC3)CC1)N1CCC[NH+]=C21	ZINC000019375112	182120637	/nfs/dbraw/zinc/12/06/37/182120637.db2.gz	PTZYLMYIUNBTGS-UHFFFAOYSA-N	2	0	310.445	2.767	40	0		DFABRP
Cc1cc(N2CC[NH+](C(C)C)CC2)ncc1[C@H]([NH3+])c1ccccc1	ZINC000072223715	257123257	/nfs/dbraw/zinc/12/32/57/257123257.db2.gz	QJYYGVHULMUGLE-HXUWFJFHSA-N	2	0	324.472	2.969	40	0		DFABRP
CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH3+]	ZINC000079415564	426191689	/nfs/dbraw/zinc/19/16/89/426191689.db2.gz	YRJOIHDDZZOEJZ-WMZOPIPTSA-N	2	0	317.477	2.625	40	0		DFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3CO[C@H](C[NH+]4CCCC4)[C@H]3C2)s1	ZINC000096056236	426392962	/nfs/dbraw/zinc/39/29/62/426392962.db2.gz	BBPOAKGPXYBNCD-RYQLBKOJSA-N	2	0	320.502	2.989	40	0		DFABRP
Cc1nc2c(n1C(C)C)C[NH2+]CC21CC[NH+](CC(C)C)CC1	ZINC000306123737	231083178	/nfs/dbraw/zinc/08/31/78/231083178.db2.gz	AUZAQQVIIHUTSL-UHFFFAOYSA-N	2	0	304.482	2.865	40	0		DFABRP
Cc1cc([C@@H]([NH3+])c2ccccc2)cnc1N1CC[NH+](C(C)C)CC1	ZINC000072222674	257123089	/nfs/dbraw/zinc/12/30/89/257123089.db2.gz	IHQMZQAKPSDBGL-IBGZPJMESA-N	2	0	324.472	2.969	40	0		DFABRP
CC[NH+]1CCN(c2cc(C)c([C@@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072223638	257123311	/nfs/dbraw/zinc/12/33/11/257123311.db2.gz	TYJHXZSQYDFZBY-IBGZPJMESA-N	2	0	310.445	2.580	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1	ZINC000079415784	426191899	/nfs/dbraw/zinc/19/18/99/426191899.db2.gz	MAXBEYWPSYQWFY-KURKYZTESA-N	2	0	317.477	2.529	40	0		DFABRP
C[NH+](C)[C@@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21	ZINC000096079169	426396679	/nfs/dbraw/zinc/39/66/79/426396679.db2.gz	YUBOMOXXSPBSLJ-MAUKXSAKSA-N	2	0	300.446	2.816	40	0		DFABRP
CCn1nccc1C[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21	ZINC000195559952	426538780	/nfs/dbraw/zinc/53/87/80/426538780.db2.gz	QFTVYFGYGIYQGL-IHPCNDPISA-N	2	0	324.472	2.903	40	0		DFABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CC1)CC2	ZINC000247899802	426964086	/nfs/dbraw/zinc/96/40/86/426964086.db2.gz	VTMAHEGPRUCXQG-KRWDZBQOSA-N	2	0	318.461	2.850	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415605	185170819	/nfs/dbraw/zinc/17/08/19/185170819.db2.gz	GXQYMQSOVDRBTG-RYQLBKOJSA-N	2	0	317.477	2.672	40	0		DFABRP
CC(C)C[C@H](C[NH3+])CC(=O)O[C@H]1CC[N@H+](Cc2ccccc2)C1	ZINC000585141558	398436017	/nfs/dbraw/zinc/43/60/17/398436017.db2.gz	XHIWYSCXPHQACJ-ROUUACIJSA-N	2	0	318.461	2.815	40	0		DFABRP
CCCC[N@@H+]1CCC[C@@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216587	257125662	/nfs/dbraw/zinc/12/56/62/257125662.db2.gz	RNROYLRIJJUMSG-QGZVFWFLSA-N	2	0	302.466	2.770	40	0		DFABRP
C[NH+](C)[C@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21	ZINC000096079168	426397097	/nfs/dbraw/zinc/39/70/97/426397097.db2.gz	YUBOMOXXSPBSLJ-QAPCUYQASA-N	2	0	300.446	2.816	40	0		DFABRP
CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1ccsc1)CC2	ZINC000096196840	426405658	/nfs/dbraw/zinc/40/56/58/426405658.db2.gz	BMWILIJRVCEGBQ-UHFFFAOYSA-N	2	0	318.490	2.843	40	0		DFABRP
c1csc(C[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047940	426391072	/nfs/dbraw/zinc/39/10/72/426391072.db2.gz	FMYMQDRGLIKZIG-HNNXBMFYSA-N	2	0	306.475	2.967	40	0		DFABRP
c1ccc(CC[NH+]2CCC3(C[C@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096220789	426409826	/nfs/dbraw/zinc/40/98/26/426409826.db2.gz	UECCNYOZUXRVLD-IBGZPJMESA-N	2	0	314.473	2.948	40	0		DFABRP
CCOC(=O)[C@H](CN)[C@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351644	426558260	/nfs/dbraw/zinc/55/82/60/426558260.db2.gz	ZVWBFUVUIJMJET-STEAMIEHSA-N	2	0	322.493	2.805	40	0		DFABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](CC1CC1)CC2	ZINC000247899806	426965255	/nfs/dbraw/zinc/96/52/55/426965255.db2.gz	VTMAHEGPRUCXQG-QGZVFWFLSA-N	2	0	318.461	2.850	40	0		DFABRP
Cc1cccc(O[C@@H]2CCC[C@H]([NH2+]CCCC[NH+](C)C)[C@H]2O)c1	ZINC000585289656	398439192	/nfs/dbraw/zinc/43/91/92/398439192.db2.gz	UDPFPWBPTGSNPN-IPMKNSEASA-N	2	0	320.477	2.587	40	0		DFABRP
CN(c1ccccc1C[NH2+]Cc1cccnc1)C1CC[NH+](C)CC1	ZINC000083877540	192389270	/nfs/dbraw/zinc/38/92/70/192389270.db2.gz	ZHDJEWGMSUFYSM-UHFFFAOYSA-N	2	0	324.472	2.902	40	0		DFABRP
Cc1cc(N(C)C)cc([C@H]2CC[N@H+](Cc3cncs3)C2)[nH+]1	ZINC000257299439	203022186	/nfs/dbraw/zinc/02/21/86/203022186.db2.gz	RQBZMHALXGKVHQ-ZDUSSCGKSA-N	2	0	302.447	2.902	40	0		DFABRP
COc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC	ZINC000020264084	182201271	/nfs/dbraw/zinc/20/12/71/182201271.db2.gz	ASIXXJPWMHNLIN-DZKIICNBSA-N	2	0	306.450	2.565	40	0		DFABRP
CCCC[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216588	257124792	/nfs/dbraw/zinc/12/47/92/257124792.db2.gz	RNROYLRIJJUMSG-KRWDZBQOSA-N	2	0	302.466	2.770	40	0		DFABRP
CCCC[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216527	257125481	/nfs/dbraw/zinc/12/54/81/257125481.db2.gz	WOKQHUKPOCBTBK-QGZVFWFLSA-N	2	0	302.466	2.770	40	0		DFABRP
CC(C)[N@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccc(F)cc3)C[C@@H]2O1	ZINC000096056660	426392143	/nfs/dbraw/zinc/39/21/43/426392143.db2.gz	DTNQTCQGPOCXDI-NXHRZFHOSA-N	2	0	306.425	2.755	40	0		DFABRP
CC(C)[NH+]1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072225621	257123572	/nfs/dbraw/zinc/12/35/72/257123572.db2.gz	OMUKJWDRROLVLC-IBGZPJMESA-N	2	0	310.445	2.660	40	0		DFABRP
Cc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@@H+](C)C(C)C)O[C@H]3C2)s1	ZINC000096056659	426392893	/nfs/dbraw/zinc/39/28/93/426392893.db2.gz	PAEJLJMEZDGOAP-INMHGKMJSA-N	2	0	308.491	2.986	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccncc1)CC2	ZINC000096051763	426393290	/nfs/dbraw/zinc/39/32/90/426393290.db2.gz	UZMWVFRNMJCXGL-SFHVURJKSA-N	2	0	317.477	2.793	40	0		DFABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cc(C)cc(C)c1)C2	ZINC000096217084	426408119	/nfs/dbraw/zinc/40/81/19/426408119.db2.gz	NJJYSBFOOJLQPL-RTBURBONSA-N	2	0	302.462	2.704	40	0		DFABRP
c1ccc(CC[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)cc1	ZINC000096220791	426410015	/nfs/dbraw/zinc/41/00/15/426410015.db2.gz	UECCNYOZUXRVLD-LJQANCHMSA-N	2	0	314.473	2.948	40	0		DFABRP
C[NH+]1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc1O2	ZINC000019588436	277035617	/nfs/dbraw/zinc/03/56/17/277035617.db2.gz	CILYVYARKBHGKC-UHFFFAOYSA-N	2	0	323.440	2.941	40	0		DFABRP
Cc1cc(N2CC[NH+](C3CCCC3)CC2)cc([C@@H]2CC[NH2+]C2)[nH+]1	ZINC000019739112	398408432	/nfs/dbraw/zinc/40/84/32/398408432.db2.gz	YNNCCJVAGHJRSL-MRXNPFEDSA-N	3	0	314.477	2.532	40	0		DFABRP
CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@@H+]2CC2CCCCC2)n1	ZINC000019760531	398408545	/nfs/dbraw/zinc/40/85/45/398408545.db2.gz	BHJLRXXQKALMJV-INIZCTEOSA-N	2	0	317.481	2.955	40	0		DFABRP
C[N@@H+]1C[C@@H](COCC2CC2)C2(C1)CC[NH+](C1CCCC1)CC2	ZINC000585104325	398433240	/nfs/dbraw/zinc/43/32/40/398433240.db2.gz	YZJMZXXSJLUBGR-KRWDZBQOSA-N	2	0	306.494	2.999	40	0		DFABRP
CC(C)(C)[NH2+][C@@H]1COC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096074129	426396907	/nfs/dbraw/zinc/39/69/07/426396907.db2.gz	CSJOOBLGTBPQOD-INIZCTEOSA-N	2	0	303.450	2.593	40	0		DFABRP
C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1	ZINC000194473825	201234178	/nfs/dbraw/zinc/23/41/78/201234178.db2.gz	MZDGCHDZQJLKNX-DLBZAZTESA-N	2	0	302.462	2.881	40	0		DFABRP
CC[NH+]1CCN(c2ccc([C@H]([NH3+])c3ccccc3)c(C)n2)CC1	ZINC000072224682	257123101	/nfs/dbraw/zinc/12/31/01/257123101.db2.gz	BWFUMHYEIBPBJQ-LJQANCHMSA-N	2	0	310.445	2.580	40	0		DFABRP
CC(C)C[N@@H+]1CCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216525	257125574	/nfs/dbraw/zinc/12/55/74/257125574.db2.gz	BZBXJFATXIPELZ-QGZVFWFLSA-N	2	0	302.466	2.626	40	0		DFABRP
CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216543	257125590	/nfs/dbraw/zinc/12/55/90/257125590.db2.gz	PWKWAVOUBYKNBM-KRWDZBQOSA-N	2	0	302.466	2.769	40	0		DFABRP
Cc1cccc(C[NH+]2CC[C@@H]3[C@@H](CO[C@H]3C[N@@H+](C)C(C)C)C2)n1	ZINC000096185260	426405129	/nfs/dbraw/zinc/40/51/29/426405129.db2.gz	AGQIIPAFGUAVFK-QRQLOZEOSA-N	2	0	317.477	2.567	40	0		DFABRP
C(OC[C@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC1)C2)C1CC1	ZINC000096220708	426409289	/nfs/dbraw/zinc/40/92/89/426409289.db2.gz	ARNXPAPBUIQWMN-UYAOXDASSA-N	2	0	318.505	2.999	40	0		DFABRP
Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)c1	ZINC000096218602	256554514	/nfs/dbraw/zinc/55/45/14/256554514.db2.gz	STGIOKDNLZSTJC-RTBURBONSA-N	2	0	302.462	2.989	40	0		DFABRP
CC[NH+]1CCN(c2ccc([C@@H]([NH3+])c3ccccc3)c(C)n2)CC1	ZINC000072224683	257123498	/nfs/dbraw/zinc/12/34/98/257123498.db2.gz	BWFUMHYEIBPBJQ-IBGZPJMESA-N	2	0	310.445	2.580	40	0		DFABRP
CC[NH+]1CCN(c2ncc([C@@H]([NH3+])c3ccccc3)cc2C)CC1	ZINC000072222596	257124411	/nfs/dbraw/zinc/12/44/11/257124411.db2.gz	VJZPWCSVZTWIBZ-SFHVURJKSA-N	2	0	310.445	2.580	40	0		DFABRP
CC[NH+]1CCN(c2ncc([C@H]([NH3+])c3ccccc3)cc2C)CC1	ZINC000072222595	257124572	/nfs/dbraw/zinc/12/45/72/257124572.db2.gz	VJZPWCSVZTWIBZ-GOSISDBHSA-N	2	0	310.445	2.580	40	0		DFABRP
C[C@H](C[NH+](C)C)Sc1nnc(S[C@H](C)C[NH+](C)C)s1	ZINC000001586601	425583850	/nfs/dbraw/zinc/58/38/50/425583850.db2.gz	IUGLVPPXKQVUQL-NXEZZACHSA-N	2	0	320.553	2.623	40	0		DFABRP
OC(C[n+]1ccc2ccccc2c1)C[n+]1ccc2ccccc2c1	ZINC000001666333	425585696	/nfs/dbraw/zinc/58/56/96/425585696.db2.gz	ARGDMLRAZHXTTO-UHFFFAOYSA-N	2	0	316.404	2.629	40	0		DFABRP
CC[NH+]1CCC2(C[C@@H](COC)[N@H+](Cc3csc(C)n3)C2)CC1	ZINC000096240356	426411096	/nfs/dbraw/zinc/41/10/96/426411096.db2.gz	KRJYXRKMYKYXCV-INIZCTEOSA-N	2	0	323.506	2.774	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2c2ccco2)CC1	ZINC000192741854	427599853	/nfs/dbraw/zinc/59/98/53/427599853.db2.gz	CLCFFZZOXWEQEU-KRWDZBQOSA-N	2	0	305.466	2.833	40	0		DFABRP
COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585103980	398432143	/nfs/dbraw/zinc/43/21/43/398432143.db2.gz	VBAFNZYHHBYUOS-OAHLLOKOSA-N	2	0	308.491	2.847	40	0		DFABRP
Cc1ccccc1O[C@@H]1CCC[C@H]([N@@H+](C)CCC[NH+](C)C)[C@H]1O	ZINC000585290074	398439482	/nfs/dbraw/zinc/43/94/82/398439482.db2.gz	RMKCIFQPGFTCQG-QXAKKESOSA-N	2	0	320.477	2.539	40	0		DFABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C(C)C)CC2	ZINC000585104278	398433354	/nfs/dbraw/zinc/43/33/54/398433354.db2.gz	XYNCVKPGGVYKCN-MRXNPFEDSA-N	2	0	306.450	2.848	40	0		DFABRP
C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1	ZINC000194473809	201234294	/nfs/dbraw/zinc/23/42/94/201234294.db2.gz	MZDGCHDZQJLKNX-SJORKVTESA-N	2	0	302.462	2.881	40	0		DFABRP
Cc1nc(N2CC[NH+](C(C)C)CC2)ccc1[C@@H]([NH3+])c1ccccc1	ZINC000072224761	257123119	/nfs/dbraw/zinc/12/31/19/257123119.db2.gz	FDXROKGVPQOLSY-FQEVSTJZSA-N	2	0	324.472	2.969	40	0		DFABRP
CCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216541	257125132	/nfs/dbraw/zinc/12/51/32/257125132.db2.gz	ARDCAJDZZRFHDR-KRWDZBQOSA-N	2	0	302.466	2.770	40	0		DFABRP
CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH+](C)CC2)nc1	ZINC000072216542	257125417	/nfs/dbraw/zinc/12/54/17/257125417.db2.gz	PWKWAVOUBYKNBM-QGZVFWFLSA-N	2	0	302.466	2.769	40	0		DFABRP
Cc1noc(C)c1C[NH+]1CCC2(C[C@H]([NH+]3CCCC3)CO2)CC1	ZINC000096158641	426403717	/nfs/dbraw/zinc/40/37/17/426403717.db2.gz	LPFCAONRULEGJT-INIZCTEOSA-N	2	0	319.449	2.511	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccc(F)c1)CC2	ZINC000096216161	426407446	/nfs/dbraw/zinc/40/74/46/426407446.db2.gz	UJJPBFMOPWSQCC-QGZVFWFLSA-N	2	0	306.425	2.758	40	0		DFABRP
C[NH+](C)Cc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1	ZINC000193950123	276771811	/nfs/dbraw/zinc/77/18/11/276771811.db2.gz	FZEAMWRSKSGLEX-KZNAEPCWSA-N	2	0	300.446	2.795	40	0		DFABRP
COC(=O)[C@H](CCCC[NH2+][Si](C)(C)C)[NH2+][Si](C)(C)C	ZINC000195807547	563678549	/nfs/dbraw/zinc/67/85/49/563678549.db2.gz	XNNSMELHXVUNMU-LBPRGKRZSA-N	2	0	304.583	2.547	40	0		DFABRP
COCC[N@H+](C)CCCC1CC[NH+](C[Si](C)(C)C)CC1	ZINC000195547728	399183577	/nfs/dbraw/zinc/18/35/77/399183577.db2.gz	PBNSSDWVYKGACD-UHFFFAOYSA-N	2	0	300.563	2.934	40	0		DFABRP
CC1CCC([NH+]2CCC([N@H+](C)CCC3OCCO3)CC2)CC1	ZINC000195565931	399186348	/nfs/dbraw/zinc/18/63/48/399186348.db2.gz	FRBQRUSAARURCQ-UHFFFAOYSA-N	2	0	310.482	2.724	40	0		DFABRP
C[NH2+]CCC1CC[NH+](Cc2cc(OC)c(OC)c(OC)c2)CC1	ZINC000015424024	182001973	/nfs/dbraw/zinc/00/19/73/182001973.db2.gz	WIBLZIMBDFCVRG-UHFFFAOYSA-N	2	0	322.449	2.534	40	0		DFABRP
C1CC[C@@H]([C@@]23C[C@@H](C[C@H]4CCC[NH2+][C@H]42)[C@H]2CCCCN2C3)[NH2+]C1	ZINC000004081890	425616985	/nfs/dbraw/zinc/61/69/85/425616985.db2.gz	YUKCLPPRYNXRAF-CPPNMTBBSA-N	2	0	317.521	2.761	40	0		DFABRP
CN(C[C@@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000012188685	425721481	/nfs/dbraw/zinc/72/14/81/425721481.db2.gz	ZJCBWPZEZZIFBU-VQTJNVASSA-N	2	0	315.505	2.782	40	0		DFABRP
CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1	ZINC000079415791	426191632	/nfs/dbraw/zinc/19/16/32/426191632.db2.gz	MAXBEYWPSYQWFY-KSZLIROESA-N	2	0	317.477	2.529	40	0		DFABRP
Cc1cccc(C[NH+]2CC[C@H]3CO[C@H](C[N@@H+](C)C(C)C)[C@H]3C2)n1	ZINC000096185408	426404128	/nfs/dbraw/zinc/40/41/28/426404128.db2.gz	XLKJSTJRXHYYTC-YTQUADARSA-N	2	0	317.477	2.567	40	0		DFABRP
c1csc(C[NH+]2CCC3(C[C@@H]([NH+]4CCCC4)CO3)CC2)c1	ZINC000096047941	426390245	/nfs/dbraw/zinc/39/02/45/426390245.db2.gz	FMYMQDRGLIKZIG-OAHLLOKOSA-N	2	0	306.475	2.967	40	0		DFABRP
C[N@H+](Cc1ccccn1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048064	426391451	/nfs/dbraw/zinc/39/14/51/426391451.db2.gz	VBBMFXBSAVLGRX-GOSISDBHSA-N	2	0	315.461	2.547	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1cccc(F)c1)CC2	ZINC000096216162	426408104	/nfs/dbraw/zinc/40/81/04/426408104.db2.gz	UJJPBFMOPWSQCC-KRWDZBQOSA-N	2	0	306.425	2.758	40	0		DFABRP
C(OC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CC[NH+](C1CCC1)C2)C1CC1	ZINC000096219359	426409844	/nfs/dbraw/zinc/40/98/44/426409844.db2.gz	ARNXPAPBUIQWMN-AZUAARDMSA-N	2	0	318.505	2.999	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccco1)CC2	ZINC000096240295	426410648	/nfs/dbraw/zinc/41/06/48/426410648.db2.gz	MBECSYASAYUEAR-MRXNPFEDSA-N	2	0	306.450	2.991	40	0		DFABRP
CCOC(=O)[C@H](CN)[C@@]1([NH+]2CCCC2)C[C@@H]2CC[C@@]1(C)C2(C)C	ZINC000216351737	426557935	/nfs/dbraw/zinc/55/79/35/426557935.db2.gz	ZVWBFUVUIJMJET-LNMJFAINSA-N	2	0	322.493	2.805	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2Cc3ccccc3C[C@H]2C)CC1	ZINC000192746459	427602351	/nfs/dbraw/zinc/60/23/51/427602351.db2.gz	MPQBBHLRDZVZOG-GOSISDBHSA-N	2	0	315.505	2.849	40	0		DFABRP
Cc1cccc(O[C@@H]2CCC[C@H]([N@@H+](C)CCC[NH+](C)C)[C@H]2O)c1	ZINC000585290019	398439405	/nfs/dbraw/zinc/43/94/05/398439405.db2.gz	ZCENKBIMRRAVQA-IPMKNSEASA-N	2	0	320.477	2.539	40	0		DFABRP
C[C@@H]1CCC[N@H+](Cc2ccc(C(=O)NCCC[NH+](C)C)cc2)C1	ZINC000030946687	182602344	/nfs/dbraw/zinc/60/23/44/182602344.db2.gz	ZFKLZPWDISNZDG-MRXNPFEDSA-N	2	0	317.477	2.600	40	0		DFABRP
CCCC[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216307	257125116	/nfs/dbraw/zinc/12/51/16/257125116.db2.gz	NEDLFJVZSIFYRZ-KRWDZBQOSA-N	2	0	302.466	2.818	40	0		DFABRP
[NH3+][C@@H](CCC[C@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001608374	425583711	/nfs/dbraw/zinc/58/37/11/425583711.db2.gz	JCHQLSDKMKCVTK-IRXDYDNUSA-N	2	0	310.397	2.577	40	0		DFABRP
Cc1cc(N2CC[NH+](CC(C)C)CC2)cc([C@H]2CCC[NH2+]2)n1	ZINC000019698258	425789921	/nfs/dbraw/zinc/78/99/21/425789921.db2.gz	GWOZUDNYYIAUMY-QGZVFWFLSA-N	2	0	302.466	2.593	40	0		DFABRP
Cn1cccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccn1)CC2	ZINC000096157554	426401239	/nfs/dbraw/zinc/40/12/39/426401239.db2.gz	MBTIVEPUZXIEBE-UHFFFAOYSA-N	2	0	324.472	2.908	40	0		DFABRP
CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](Cc1cccs1)CC2	ZINC000096196839	426405999	/nfs/dbraw/zinc/40/59/99/426405999.db2.gz	YXBCQVVMGJNXBJ-UHFFFAOYSA-N	2	0	318.490	2.843	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C)CC[NH+](Cc1ccc(OC)cc1)CC2	ZINC000096208142	426407559	/nfs/dbraw/zinc/40/75/59/426407559.db2.gz	SUEYMKVBDXJKTH-KRWDZBQOSA-N	2	0	318.461	2.628	40	0		DFABRP
CC(C)(C)Nc1nc(NCCC2CC[NH2+]CC2)cc(C2CC2)[nH+]1	ZINC000328963437	427019181	/nfs/dbraw/zinc/01/91/81/427019181.db2.gz	BNPZIQMVGRNOFE-UHFFFAOYSA-N	2	0	317.481	3.366	40	0		DFABRP
CNc1cccc(CC[C@H]2CCCC[N@@H+]2Cc2cnccn2)n1	ZINC000257256418	427325239	/nfs/dbraw/zinc/32/52/39/427325239.db2.gz	KLKFCNYAAXUOSM-QGZVFWFLSA-N	2	0	311.433	2.901	40	0		DFABRP
C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1	ZINC000195571580	323284352	/nfs/dbraw/zinc/28/43/52/323284352.db2.gz	STQRGHGRXRYHLJ-WOJBJXKFSA-N	2	0	315.505	2.940	40	0		DFABRP
CC(C)N(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404525	185169627	/nfs/dbraw/zinc/16/96/27/185169627.db2.gz	YIQASBBKTYHADB-FUHWJXTLSA-N	2	0	317.477	2.625	40	0		DFABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCC1)CC2	ZINC000585102680	398431983	/nfs/dbraw/zinc/43/19/83/398431983.db2.gz	ASEYJEHJWZKKHG-MRXNPFEDSA-N	2	0	318.461	2.993	40	0		DFABRP
Cc1cc([C@H]([NH3+])c2ccccc2)cnc1N1CC[NH+](C(C)C)CC1	ZINC000072222673	257123722	/nfs/dbraw/zinc/12/37/22/257123722.db2.gz	IHQMZQAKPSDBGL-LJQANCHMSA-N	2	0	324.472	2.969	40	0		DFABRP
c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2N2CC[NH2+]CC2)cc1	ZINC000072216332	257124980	/nfs/dbraw/zinc/12/49/80/257124980.db2.gz	AAWWVCMRDLGASW-IBGZPJMESA-N	2	0	322.456	2.828	40	0		DFABRP
CC(C)C[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216304	257125095	/nfs/dbraw/zinc/12/50/95/257125095.db2.gz	VEVQOOWIVHKYOP-QGZVFWFLSA-N	2	0	302.466	2.674	40	0		DFABRP
CC(C)C[N@@H+]1CCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216586	257125511	/nfs/dbraw/zinc/12/55/11/257125511.db2.gz	VQFVALZGIJGCHU-KRWDZBQOSA-N	2	0	302.466	2.626	40	0		DFABRP
CN1[C@H](C[NH+]2CCCC2)C[C@@H]2C[N@H+](Cc3cccs3)CC[C@@H]21	ZINC000096185583	426405109	/nfs/dbraw/zinc/40/51/09/426405109.db2.gz	UWLYFQSSFJALSZ-RYRKJORJSA-N	2	0	319.518	2.739	40	0		DFABRP
COC[C@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccccn1)CC2	ZINC000096051760	426392313	/nfs/dbraw/zinc/39/23/13/426392313.db2.gz	FVPBGHZGZPHIDJ-GOSISDBHSA-N	2	0	317.477	2.793	40	0		DFABRP
CN(C[C@H]1CC[N@H+](C)C1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1	ZINC000012188688	425721826	/nfs/dbraw/zinc/72/18/26/425721826.db2.gz	ZJCBWPZEZZIFBU-PMACEKPBSA-N	2	0	315.505	2.782	40	0		DFABRP
Cc1ccc(C)c(C[N@H+]2CC[C@]3(C2)C[C@@H]([NH+](C)C)CCO3)c1	ZINC000096110904	426398599	/nfs/dbraw/zinc/39/85/99/426398599.db2.gz	STGIOKDNLZSTJC-RBUKOAKNSA-N	2	0	302.462	2.989	40	0		DFABRP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C[C@@H](C[NH+](C)C)N3C)C2)s1	ZINC000096185549	426404103	/nfs/dbraw/zinc/40/41/03/426404103.db2.gz	GVTJXXQWPRMGAI-VYDXJSESSA-N	2	0	307.507	2.513	40	0		DFABRP
C[N@H+](Cc1ccncc1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048090	426391515	/nfs/dbraw/zinc/39/15/15/426391515.db2.gz	FPHIRMCLRVTPBN-GOSISDBHSA-N	2	0	315.461	2.547	40	0		DFABRP
c1cc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)cs1	ZINC000096207925	426408456	/nfs/dbraw/zinc/40/84/56/426408456.db2.gz	XWYAQYSNFXUOLD-IAGOWNOFSA-N	2	0	306.475	2.967	40	0		DFABRP
c1csc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+]2CCCC2)CCO3)c1	ZINC000096206889	426407093	/nfs/dbraw/zinc/40/70/93/426407093.db2.gz	VMTNBMPNDXIXFD-NVXWUHKLSA-N	2	0	306.475	2.967	40	0		DFABRP
CC(C)[N@H+](Cc1ccccc1)[C@@H]1CCCC[C@H]1NC(=O)[C@H](C)[NH3+]	ZINC000079415601	185170706	/nfs/dbraw/zinc/17/07/06/185170706.db2.gz	GXQYMQSOVDRBTG-CGTJXYLNSA-N	2	0	317.477	2.672	40	0		DFABRP
CCCCOC[C@@H](O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1	ZINC000195215955	201359881	/nfs/dbraw/zinc/35/98/81/201359881.db2.gz	VPEAKMUWRBWQLP-QAPCUYQASA-N	2	0	317.433	2.701	40	0		DFABRP
CC(C)(C)n1cc[n+](CCCC[n+]2ccn(C(C)(C)C)c2)c1	ZINC000606422273	399066557	/nfs/dbraw/zinc/06/65/57/399066557.db2.gz	BEUHTWSAXMXJNN-UHFFFAOYSA-N	2	0	304.482	2.855	40	0		DFABRP
CC(C)[N@@H+]1CCCC[C@H]1c1cccnc1N1CC[NH+](C)CC1	ZINC000072216603	257125186	/nfs/dbraw/zinc/12/51/86/257125186.db2.gz	VGBDJSYSOXRUHZ-KRWDZBQOSA-N	2	0	302.466	2.769	40	0		DFABRP
[NH3+]CCCNc1ccc(Cc2ccc(NCCC[NH3+])cc2)cc1	ZINC000207267473	542869052	/nfs/dbraw/zinc/86/90/52/542869052.db2.gz	IRQFDAFCKFAZMZ-UHFFFAOYSA-N	2	0	312.461	2.799	40	0		DFABRP
C[C@@H](C[NH+](C)C)Sc1nnc(S[C@@H](C)C[NH+](C)C)s1	ZINC000001586598	425582731	/nfs/dbraw/zinc/58/27/31/425582731.db2.gz	IUGLVPPXKQVUQL-UWVGGRQHSA-N	2	0	320.553	2.623	40	0		DFABRP
C[C@H](C[NH+](C)C)Sc1nnc(S[C@@H](C)C[NH+](C)C)s1	ZINC000001586599	425583457	/nfs/dbraw/zinc/58/34/57/425583457.db2.gz	IUGLVPPXKQVUQL-AOOOYVTPSA-N	2	0	320.553	2.623	40	0		DFABRP
Fc1cccc(C[NH+]2CCC3(CC[N@@H+]([C@H]4CCOC4)C3)CC2)c1	ZINC000107190969	425985440	/nfs/dbraw/zinc/98/54/40/425985440.db2.gz	PMMWUCMUDDRCDZ-SFHVURJKSA-N	2	0	318.436	2.903	40	0		DFABRP
C[C@H]1C[NH+](CCC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1	ZINC000084706182	426243130	/nfs/dbraw/zinc/24/31/30/426243130.db2.gz	VMAKQSFRXXHOQP-IRXDYDNUSA-N	2	0	317.477	2.793	40	0		DFABRP
FC(F)(F)CC[N@@H+]1C[C@H]2CCC[C@@H](C[NH+]3CCOCC3)[C@H]2C1	ZINC000096081885	426396823	/nfs/dbraw/zinc/39/68/23/426396823.db2.gz	VWLBORCRMBSXQK-RRFJBIMHSA-N	2	0	320.399	2.619	40	0		DFABRP
C[N@H+](Cc1ccccn1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048065	426390344	/nfs/dbraw/zinc/39/03/44/426390344.db2.gz	VBBMFXBSAVLGRX-SFHVURJKSA-N	2	0	315.461	2.547	40	0		DFABRP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096047993	426391252	/nfs/dbraw/zinc/39/12/52/426391252.db2.gz	FRPSPZADSIBYBL-SFHVURJKSA-N	2	0	315.461	2.547	40	0		DFABRP
C[N@H+](Cc1ccco1)[C@H]1COC2(C1)CC[NH+](CC1CC1)CC2	ZINC000096048028	426391350	/nfs/dbraw/zinc/39/13/50/426391350.db2.gz	PHTMCZPSZQSKRD-MRXNPFEDSA-N	2	0	304.434	2.745	40	0		DFABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](C1CCC1)CC2	ZINC000585102678	398432628	/nfs/dbraw/zinc/43/26/28/398432628.db2.gz	ASEYJEHJWZKKHG-INIZCTEOSA-N	2	0	318.461	2.993	40	0		DFABRP
C[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccccc1	ZINC000194300415	186278559	/nfs/dbraw/zinc/27/85/59/186278559.db2.gz	KTWRFSTVIAVJGX-QGZVFWFLSA-N	2	0	324.472	2.727	40	0		DFABRP
C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1	ZINC000194473835	201234837	/nfs/dbraw/zinc/23/48/37/201234837.db2.gz	MZDGCHDZQJLKNX-IAGOWNOFSA-N	2	0	302.462	2.881	40	0		DFABRP
CC(C)N(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](C)[NH3+]	ZINC000079404519	426191878	/nfs/dbraw/zinc/19/18/78/426191878.db2.gz	YIQASBBKTYHADB-WMZOPIPTSA-N	2	0	317.477	2.625	40	0		DFABRP
C[C@@H]1C[NH+](CCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H](C)O1	ZINC000084706184	426243240	/nfs/dbraw/zinc/24/32/40/426243240.db2.gz	VMAKQSFRXXHOQP-IAGOWNOFSA-N	2	0	317.477	2.793	40	0		DFABRP
C[NH+](C)[C@@H]1CC2(CC[NH+]([C@@H]3CCOC3)CC2)c2ccccc21	ZINC000096079167	426396902	/nfs/dbraw/zinc/39/69/02/426396902.db2.gz	YUBOMOXXSPBSLJ-CRAIPNDOSA-N	2	0	300.446	2.816	40	0		DFABRP
COC[C@@H]1CC2(C[N@@H+]1C(C)C)CC[NH+](Cc1ccco1)CC2	ZINC000096240296	426411534	/nfs/dbraw/zinc/41/15/34/426411534.db2.gz	MBECSYASAYUEAR-INIZCTEOSA-N	2	0	306.450	2.991	40	0		DFABRP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=S)Nc2ccncc2)C1	ZINC000225732058	426609991	/nfs/dbraw/zinc/60/99/91/426609991.db2.gz	MCQJSASLPMSNIZ-OKILXGFUSA-N	2	0	306.479	2.736	40	0		DFABRP
Cc1cc(CN2CC[C@@H](c3cc(N(C)C)cc(C)[nH+]3)C2)no1	ZINC000257207242	427310392	/nfs/dbraw/zinc/31/03/92/427310392.db2.gz	BGZHPGIDMBUCCH-CQSZACIVSA-N	2	0	300.406	2.742	40	0		DFABRP
COc1ccccc1C[NH+]1CCC2(CC1)C[C@@H]([NH+](C)C)CCO2	ZINC000108536704	274157386	/nfs/dbraw/zinc/15/73/86/274157386.db2.gz	ZPJDJOMUDDTDHO-KRWDZBQOSA-N	2	0	318.461	2.770	40	0		DFABRP
CC(C)C[N@@H+]1CCCC[C@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216305	257125243	/nfs/dbraw/zinc/12/52/43/257125243.db2.gz	VEVQOOWIVHKYOP-KRWDZBQOSA-N	2	0	302.466	2.674	40	0		DFABRP
[NH3+][C@H](CCCC[C@@H]([NH3+])C(=O)c1ccccc1)C(=O)c1ccccc1	ZINC000001608379	425583676	/nfs/dbraw/zinc/58/36/76/425583676.db2.gz	JITNRAXEOGIKMS-QZTJIDSGSA-N	2	0	324.424	2.967	40	0		DFABRP
OC(C[n+]1cccc2ccccc21)C[n+]1cccc2ccccc21	ZINC000001669614	425584662	/nfs/dbraw/zinc/58/46/62/425584662.db2.gz	LQHANIJETBWMBM-UHFFFAOYSA-N	2	0	316.404	2.629	40	0		DFABRP
[NH3+]CCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1	ZINC000038242802	425850928	/nfs/dbraw/zinc/85/09/28/425850928.db2.gz	ZLBICQIZTNCOCN-UHFFFAOYSA-N	2	0	302.249	2.854	40	0		DFABRP
C[C@@H]1C[N@@H+](CCC2CC[NH+](Cc3ccncc3)CC2)C[C@H](C)O1	ZINC000084706180	426243521	/nfs/dbraw/zinc/24/35/21/426243521.db2.gz	VMAKQSFRXXHOQP-CALCHBBNSA-N	2	0	317.477	2.793	40	0		DFABRP
C[NH+](C)[C@H]1CC2(CC[NH+]([C@H]3CCOC3)CC2)c2ccccc21	ZINC000096079170	426396851	/nfs/dbraw/zinc/39/68/51/426396851.db2.gz	YUBOMOXXSPBSLJ-YJBOKZPZSA-N	2	0	300.446	2.816	40	0		DFABRP
CC[NH+]1CCC2(C[C@H](COC)[N@H+](Cc3csc(C)n3)C2)CC1	ZINC000096240355	426411604	/nfs/dbraw/zinc/41/16/04/426411604.db2.gz	KRJYXRKMYKYXCV-MRXNPFEDSA-N	2	0	323.506	2.774	40	0		DFABRP
C(COCCOCC[NH2+]C1CCCCC1)[NH2+]C1CCCCC1	ZINC000005374566	181235975	/nfs/dbraw/zinc/23/59/75/181235975.db2.gz	GJTSFUUXUWRLIU-UHFFFAOYSA-N	2	0	312.498	2.864	40	0		DFABRP
C[C@H]1c2ccsc2CC[N@H+]1CC(C)(C)CN1CC[NH+](C)CC1	ZINC000019498345	182125666	/nfs/dbraw/zinc/12/56/66/182125666.db2.gz	JSFNGVKTERVXQG-HNNXBMFYSA-N	2	0	321.534	2.941	40	0		DFABRP
CC[NH+]1CCN(c2cc(C)c([C@H]([NH3+])c3ccccc3)cn2)CC1	ZINC000072223637	257123443	/nfs/dbraw/zinc/12/34/43/257123443.db2.gz	TYJHXZSQYDFZBY-LJQANCHMSA-N	2	0	310.445	2.580	40	0		DFABRP
CCCC[N@@H+]1CCCC[C@@H]1c1ccc(N2CC[NH2+]CC2)nc1	ZINC000072216306	257125168	/nfs/dbraw/zinc/12/51/68/257125168.db2.gz	NEDLFJVZSIFYRZ-QGZVFWFLSA-N	2	0	302.466	2.818	40	0		DFABRP
COC[C@H]1C[N@H+](C)C[C@@]12CC[NH+](Cc1cc(C)ccc1C)C2	ZINC000096209624	426407412	/nfs/dbraw/zinc/40/74/12/426407412.db2.gz	GGODBWVYBVKKIA-RTBURBONSA-N	2	0	302.462	2.704	40	0		DFABRP
CC[N@@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3sccc3C)C2)C1	ZINC000096220080	426409225	/nfs/dbraw/zinc/40/92/25/426409225.db2.gz	OZGPMADUMVFMDR-DOTOQJQBSA-N	2	0	308.491	2.847	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccco2)CC1	ZINC000192741842	427597760	/nfs/dbraw/zinc/59/77/60/427597760.db2.gz	CLCFFZZOXWEQEU-QGZVFWFLSA-N	2	0	305.466	2.833	40	0		DFABRP
CC(C)[NH+]1CCN(CCC[N@@H+]2CCCc3ccccc3C2)CC1	ZINC000192736862	427598234	/nfs/dbraw/zinc/59/82/34/427598234.db2.gz	DYRSOXIMOIXGEG-UHFFFAOYSA-N	2	0	315.505	2.851	40	0		DFABRP