smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@@H](C)C3)cc2)cc1	ZINC000020456344	558370035	/nfs/dbraw/zinc/37/00/35/558370035.db2.gz	QVZOHYHVJDUFOT-LJQANCHMSA-N	2	1	402.542	4.343	40	0		HIABMP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@@H](C)C3)cc2)cc1	ZINC000020456344	558370036	/nfs/dbraw/zinc/37/00/36/558370036.db2.gz	QVZOHYHVJDUFOT-LJQANCHMSA-N	2	1	402.542	4.343	40	0		HIABMP
CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@@H]1CCC[N@@H+](Cc2ccco2)C1	ZINC000026441115	568549481	/nfs/dbraw/zinc/54/94/81/568549481.db2.gz	MUMLWARRVKLVNK-GOSISDBHSA-N	2	1	403.596	4.020	40	0		HIABMP
CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1	ZINC000257339097	568815821	/nfs/dbraw/zinc/81/58/21/568815821.db2.gz	ZAESWWJHYDFUCC-LJQANCHMSA-N	2	1	410.537	4.463	40	0		HIABMP
CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1	ZINC000257339097	568815824	/nfs/dbraw/zinc/81/58/24/568815824.db2.gz	ZAESWWJHYDFUCC-LJQANCHMSA-N	2	1	410.537	4.463	40	0		HIABMP
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CC[NH+](Cc2cccs2)CC1	ZINC000248123152	569316393	/nfs/dbraw/zinc/31/63/93/569316393.db2.gz	KUURAXLUFALKFQ-UTKZUKDTSA-N	2	1	401.551	4.058	40	0		HIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000009062659	569342122	/nfs/dbraw/zinc/34/21/22/569342122.db2.gz	KDTLMNCNCGCWME-QFIPXVFZSA-N	2	1	406.014	4.323	40	0		HIABMP
Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)[nH+]1	ZINC000072372662	558960366	/nfs/dbraw/zinc/96/03/66/558960366.db2.gz	FTJDIAXKQNSNPX-QFIPXVFZSA-N	2	1	422.577	4.243	40	0		HIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C1	ZINC000224785157	568596850	/nfs/dbraw/zinc/59/68/50/568596850.db2.gz	GHEBSXMFKMMUAS-OAQYLSRUSA-N	2	1	405.586	4.444	40	0		HIABMP
O[C@@H]1CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@H]1C[NH2+]Cc1ccccc1	ZINC000004429923	557554766	/nfs/dbraw/zinc/55/47/66/557554766.db2.gz	ZUWKRYJSHNVYBR-GCMFRYMLSA-N	2	1	415.581	4.264	40	0		HIABMP
O[C@@H]1CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@@H]1C[NH2+]Cc1ccccc1	ZINC000004429922	557554838	/nfs/dbraw/zinc/55/48/38/557554838.db2.gz	ZUWKRYJSHNVYBR-FJNHTJRESA-N	2	1	415.581	4.264	40	0		HIABMP
CC1(C)CC([N@H+]2CC[C@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1	ZINC000004442305	560859123	/nfs/dbraw/zinc/85/91/23/560859123.db2.gz	NEOJLOAKLIOQTH-KCWPFWIISA-N	2	1	420.597	4.388	40	0		HIABMP
O[C@H]1CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@H]1C[NH2+]Cc1ccccc1	ZINC000004429925	557554846	/nfs/dbraw/zinc/55/48/46/557554846.db2.gz	ZUWKRYJSHNVYBR-WUSYTRHVSA-N	2	1	415.581	4.264	40	0		HIABMP
O=C(NCCC[NH+]1CCCCCC1)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1	ZINC000013668697	558560508	/nfs/dbraw/zinc/56/05/08/558560508.db2.gz	HAVWUIDDCBGWKR-UHFFFAOYSA-N	2	1	405.586	4.241	40	0		HIABMP
CC(=O)N1CCC([N@@H+]2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1	ZINC000257334435	568814277	/nfs/dbraw/zinc/81/42/77/568814277.db2.gz	YFWBDKRYXRFRMP-LJQANCHMSA-N	2	1	410.537	4.463	40	0		HIABMP
CC(=O)N1CCC([N@H+]2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1	ZINC000257334435	568814278	/nfs/dbraw/zinc/81/42/78/568814278.db2.gz	YFWBDKRYXRFRMP-LJQANCHMSA-N	2	1	410.537	4.463	40	0		HIABMP
CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3ccc(Cl)c(C(F)(F)F)c3)O2)C1	ZINC000306131595	568893854	/nfs/dbraw/zinc/89/38/54/568893854.db2.gz	KJKFRCMFOHXFQC-VQIMIIECSA-N	2	1	420.903	4.107	40	0		HIABMP
C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1	ZINC000009062754	569342229	/nfs/dbraw/zinc/34/22/29/569342229.db2.gz	MHHPONAMEGBQCH-ROUUACIJSA-N	2	1	424.004	4.175	40	0		HIABMP
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1ccccc1-c1ccccc1F)C2	ZINC000019707114	569428912	/nfs/dbraw/zinc/42/89/12/569428912.db2.gz	VKHIQYYCYDLXEG-QFIPXVFZSA-N	2	1	417.532	4.307	40	0		HIABMP
CNc1nc([C@@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccccc1-c1ccccc1F)C2	ZINC000019707114	569428913	/nfs/dbraw/zinc/42/89/13/569428913.db2.gz	VKHIQYYCYDLXEG-QFIPXVFZSA-N	2	1	417.532	4.307	40	0		HIABMP
CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@@H+]2Cc2cccc(-c3cccc(OC)c3)c2)n1	ZINC000019760517	569429635	/nfs/dbraw/zinc/42/96/35/569429635.db2.gz	XOLGIOYGXZHANL-HSZRJFAPSA-N	2	1	417.557	4.250	40	0		HIABMP
CNc1cc(C[NH2+]C)nc([C@H]2CCC[N@H+]2Cc2cccc(-c3cccc(OC)c3)c2)n1	ZINC000019760517	569429636	/nfs/dbraw/zinc/42/96/36/569429636.db2.gz	XOLGIOYGXZHANL-HSZRJFAPSA-N	2	1	417.557	4.250	40	0		HIABMP
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2cccs2)C1	ZINC000004237322	291263535	/nfs/dbraw/zinc/26/35/35/291263535.db2.gz	GXCPVRRQLCSKLW-AZUAARDMSA-N	2	1	419.594	4.258	40	0	biogenic,in-vitro	HIABMP
COC(=O)[C@@H]([NH3+])CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000006482468	557704660	/nfs/dbraw/zinc/70/46/60/557704660.db2.gz	ISIRXSKPVUCIGF-DEOSSOPVSA-N	2	1	402.538	4.239	40	0		HIABMP
C[N@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2	ZINC000096220897	559102020	/nfs/dbraw/zinc/10/20/20/559102020.db2.gz	TZGLNCZXRXSJNU-IBGZPJMESA-N	2	1	403.929	4.130	40	0		HIABMP
C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2	ZINC000096220897	559102022	/nfs/dbraw/zinc/10/20/22/559102022.db2.gz	TZGLNCZXRXSJNU-IBGZPJMESA-N	2	1	403.929	4.130	40	0		HIABMP
CC(C)n1c(SCC[NH+]2CCCC2)nnc1[C@H]1CCC[N@@H+](Cc2ccco2)C1	ZINC000026441119	568549559	/nfs/dbraw/zinc/54/95/59/568549559.db2.gz	MUMLWARRVKLVNK-SFHVURJKSA-N	2	1	403.596	4.020	40	0		HIABMP
C[C@H](NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2cc(Cl)ccc2o1	ZINC000019458512	558892618	/nfs/dbraw/zinc/89/26/18/558892618.db2.gz	QQNDVAGKVIJBJJ-HNNXBMFYSA-N	2	1	403.954	4.070	40	0		HIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@H+](CCc1ccccc1)Cc1ccccc1	ZINC000585261331	559108809	/nfs/dbraw/zinc/10/88/09/559108809.db2.gz	NWZQTNMDFMMOIP-ZONZVBGPSA-N	2	1	400.566	4.413	40	0		HIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@@H+](CCc1ccccc1)Cc1ccccc1	ZINC000585261331	559108810	/nfs/dbraw/zinc/10/88/10/559108810.db2.gz	NWZQTNMDFMMOIP-ZONZVBGPSA-N	2	1	400.566	4.413	40	0		HIABMP
C[NH+](C)Cc1cccc([C@H]2CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1	ZINC000257304436	568805873	/nfs/dbraw/zinc/80/58/73/568805873.db2.gz	SLQQCYRLGIENPO-RUZDIDTESA-N	2	1	402.542	4.454	40	0		HIABMP
C[C@@H](NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458504	558892593	/nfs/dbraw/zinc/89/25/93/558892593.db2.gz	ZSTLIDHLKKPAHT-HZPDHXFCSA-N	2	1	403.954	4.070	40	0		HIABMP
C[C@@H](NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458504	558892595	/nfs/dbraw/zinc/89/25/95/558892595.db2.gz	ZSTLIDHLKKPAHT-HZPDHXFCSA-N	2	1	403.954	4.070	40	0		HIABMP
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000224848866	568600233	/nfs/dbraw/zinc/60/02/33/568600233.db2.gz	SGJQANMPZQCKQP-XMMPIXPASA-N	2	1	423.576	4.340	40	0		HIABMP
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccccc3Cl)CC2)C1	ZINC000009062624	569342147	/nfs/dbraw/zinc/34/21/47/569342147.db2.gz	NLPHLKRYGNMNDE-KDURUIRLSA-N	2	1	406.014	4.036	40	0		HIABMP
C[C@@H]1CCCC[NH+]1CCCc1nnc(CCC[N@@H+]2CCCC[C@H]2C)n1-n1cccc1	ZINC000260574221	560869319	/nfs/dbraw/zinc/86/93/19/560869319.db2.gz	QQDMIBARJXEJJS-FGZHOGPDSA-N	2	1	412.626	4.005	40	0		HIABMP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225586151	568654908	/nfs/dbraw/zinc/65/49/08/568654908.db2.gz	WPSYYBMFLNTWOA-OAQYLSRUSA-N	2	1	424.004	4.462	40	0		HIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225586151	568654910	/nfs/dbraw/zinc/65/49/10/568654910.db2.gz	WPSYYBMFLNTWOA-OAQYLSRUSA-N	2	1	424.004	4.462	40	0		HIABMP
COc1ccc(CC[NH+]2CCC(c3cc(Nc4ncccn4)cc(C)[nH+]3)CC2)cc1	ZINC000257290750	568801687	/nfs/dbraw/zinc/80/16/87/568801687.db2.gz	QEDWDBZSOPWPSY-UHFFFAOYSA-N	2	1	403.530	4.354	40	0		HIABMP
Cc1ccc(C[N@@H+]2CCC[C@]3(CN(Cc4cccnc4)CC34C[NH+](C(C)C)C4)CC2)o1	ZINC000306126121	568888834	/nfs/dbraw/zinc/88/88/34/568888834.db2.gz	DNMDTXIKQSJFHO-RUZDIDTESA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[NH+]2CCC[C@]3(C[N@@H+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126121	568888835	/nfs/dbraw/zinc/88/88/35/568888835.db2.gz	DNMDTXIKQSJFHO-RUZDIDTESA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[NH+]2CCC[C@]3(C[N@H+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126121	568888836	/nfs/dbraw/zinc/88/88/36/568888836.db2.gz	DNMDTXIKQSJFHO-RUZDIDTESA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[N@H+]2CCC[C@]3(C[NH+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126121	568888837	/nfs/dbraw/zinc/88/88/37/568888837.db2.gz	DNMDTXIKQSJFHO-RUZDIDTESA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[N@@H+]2CCC[C@]3(C[NH+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126121	568888838	/nfs/dbraw/zinc/88/88/38/568888838.db2.gz	DNMDTXIKQSJFHO-RUZDIDTESA-N	2	1	422.617	4.182	40	0		HIABMP
COC(=O)[C@H]([NH3+])CCCC[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1	ZINC000005084774	557634590	/nfs/dbraw/zinc/63/45/90/557634590.db2.gz	ISIRXSKPVUCIGF-XMMPIXPASA-N	2	1	402.538	4.239	40	0		HIABMP
O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000225902171	568684778	/nfs/dbraw/zinc/68/47/78/568684778.db2.gz	MHFXNEGLOUUYSD-IBGZPJMESA-N	2	1	422.960	4.329	40	0		HIABMP
O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000225902171	568684781	/nfs/dbraw/zinc/68/47/81/568684781.db2.gz	MHFXNEGLOUUYSD-IBGZPJMESA-N	2	1	422.960	4.329	40	0		HIABMP
CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1	ZINC000257334434	568814457	/nfs/dbraw/zinc/81/44/57/568814457.db2.gz	YFWBDKRYXRFRMP-IBGZPJMESA-N	2	1	410.537	4.463	40	0		HIABMP
CC(=O)N1CCC([N@H+]2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)[nH+]3)C2)CC1	ZINC000257334434	568814460	/nfs/dbraw/zinc/81/44/60/568814460.db2.gz	YFWBDKRYXRFRMP-IBGZPJMESA-N	2	1	410.537	4.463	40	0		HIABMP
CC1(C)CC([N@H+]2CC[C@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1	ZINC000004263174	569322517	/nfs/dbraw/zinc/32/25/17/569322517.db2.gz	NEOJLOAKLIOQTH-HOFKKMOUSA-N	2	1	420.597	4.388	40	0		HIABMP
CC1CC[NH+](CCCNC(=O)c2ccc(C[N@H+]3CCc4ccccc4C3)cc2)CC1	ZINC000022913989	558520827	/nfs/dbraw/zinc/52/08/27/558520827.db2.gz	RJRCDDMWEKYHGS-UHFFFAOYSA-N	2	1	405.586	4.097	40	0		HIABMP
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000038831108	558816553	/nfs/dbraw/zinc/81/65/53/558816553.db2.gz	QQVXPKRKWQNYEF-XMMPIXPASA-N	2	1	423.576	4.340	40	0		HIABMP
Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1	ZINC000038831782	558817097	/nfs/dbraw/zinc/81/70/97/558817097.db2.gz	OWEKFQLRNPGHSR-UHFFFAOYSA-N	2	1	402.542	4.156	40	0		HIABMP
C[NH+](C)Cc1cccc([C@@H]2CCC[N@H+]2Cc2cccc(OCc3ccccn3)c2)n1	ZINC000257304437	568805824	/nfs/dbraw/zinc/80/58/24/568805824.db2.gz	SLQQCYRLGIENPO-VWLOTQADSA-N	2	1	402.542	4.454	40	0		HIABMP
CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@@H+]2Cc2cccc(-c3cccc(OC)c3)c2)n1	ZINC000019760514	569429689	/nfs/dbraw/zinc/42/96/89/569429689.db2.gz	XOLGIOYGXZHANL-QHCPKHFHSA-N	2	1	417.557	4.250	40	0		HIABMP
CNc1cc(C[NH2+]C)nc([C@@H]2CCC[N@H+]2Cc2cccc(-c3cccc(OC)c3)c2)n1	ZINC000019760514	569429690	/nfs/dbraw/zinc/42/96/90/569429690.db2.gz	XOLGIOYGXZHANL-QHCPKHFHSA-N	2	1	417.557	4.250	40	0		HIABMP
C[C@H](NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458509	558892626	/nfs/dbraw/zinc/89/26/26/558892626.db2.gz	ZSTLIDHLKKPAHT-HOTGVXAUSA-N	2	1	403.954	4.070	40	0		HIABMP
C[C@H](NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458509	558892628	/nfs/dbraw/zinc/89/26/28/558892628.db2.gz	ZSTLIDHLKKPAHT-HOTGVXAUSA-N	2	1	403.954	4.070	40	0		HIABMP
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccccc3C[NH+]3CCCC3)cc2)C1	ZINC000224785204	568596866	/nfs/dbraw/zinc/59/68/66/568596866.db2.gz	GHEBSXMFKMMUAS-NRFANRHFSA-N	2	1	405.586	4.444	40	0		HIABMP
CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3cc(OC(F)(F)F)ccc3C2)[nH+]1	ZINC000328963426	568970008	/nfs/dbraw/zinc/97/00/08/568970008.db2.gz	BNJWYMFBUXDXIL-UHFFFAOYSA-N	2	1	423.483	4.035	40	0		HIABMP
O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000009062757	569342263	/nfs/dbraw/zinc/34/22/63/569342263.db2.gz	AZILQMWPZCWANY-UHFFFAOYSA-N	2	1	409.977	4.073	40	0		HIABMP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[NH+]3CCC(C)CC3)cc2)cc1	ZINC000020462161	558373495	/nfs/dbraw/zinc/37/34/95/558373495.db2.gz	WZMGBPFKOSVJOE-UHFFFAOYSA-N	2	1	402.542	4.343	40	0		HIABMP
CNc1cc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710162	558971869	/nfs/dbraw/zinc/97/18/69/558971869.db2.gz	AAAOKDPGGCXBEH-UHFFFAOYSA-N	2	1	401.558	4.284	40	0		HIABMP
CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710162	558971871	/nfs/dbraw/zinc/97/18/71/558971871.db2.gz	AAAOKDPGGCXBEH-UHFFFAOYSA-N	2	1	401.558	4.284	40	0		HIABMP
O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1	ZINC000225902153	568684828	/nfs/dbraw/zinc/68/48/28/568684828.db2.gz	MHFXNEGLOUUYSD-LJQANCHMSA-N	2	1	422.960	4.329	40	0		HIABMP
O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1	ZINC000225902153	568684831	/nfs/dbraw/zinc/68/48/31/568684831.db2.gz	MHFXNEGLOUUYSD-LJQANCHMSA-N	2	1	422.960	4.329	40	0		HIABMP
COc1ccc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130152	568892576	/nfs/dbraw/zinc/89/25/76/568892576.db2.gz	IXPRRPJJIFOPOB-SANMLTNESA-N	2	1	419.613	4.115	40	0		HIABMP
COc1ccc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130152	568892577	/nfs/dbraw/zinc/89/25/77/568892577.db2.gz	IXPRRPJJIFOPOB-SANMLTNESA-N	3	1	419.613	4.115	40	0		HIABMP
COc1ccc(C[NH+]2CCC[C@@]3(C[N@@H+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130152	568892578	/nfs/dbraw/zinc/89/25/78/568892578.db2.gz	IXPRRPJJIFOPOB-SANMLTNESA-N	3	1	419.613	4.115	40	0		HIABMP
CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@H+](Cc1ccccc1-c1ccccc1F)C2	ZINC000019707115	569428941	/nfs/dbraw/zinc/42/89/41/569428941.db2.gz	VKHIQYYCYDLXEG-JOCHJYFZSA-N	2	1	417.532	4.307	40	0		HIABMP
CNc1nc([C@H]2CCC[NH2+]2)nc2c1CC[N@@H+](Cc1ccccc1-c1ccccc1F)C2	ZINC000019707115	569428942	/nfs/dbraw/zinc/42/89/42/569428942.db2.gz	VKHIQYYCYDLXEG-JOCHJYFZSA-N	2	1	417.532	4.307	40	0		HIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C1	ZINC000038831705	558816884	/nfs/dbraw/zinc/81/68/84/558816884.db2.gz	CCVHVQCGKBVPPQ-OAQYLSRUSA-N	2	1	405.586	4.444	40	0		HIABMP
Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2cccc(C[NH+]3CCCCC3)c2)cc1	ZINC000038831791	558817066	/nfs/dbraw/zinc/81/70/66/558817066.db2.gz	LNHFFVWFJBRPSI-UHFFFAOYSA-N	2	1	402.542	4.156	40	0		HIABMP
C[C@H]1CCCC[NH+]1CCCc1nnc(CCC[N@@H+]2CCCC[C@@H]2C)n1-n1cccc1	ZINC000260574226	560869342	/nfs/dbraw/zinc/86/93/42/560869342.db2.gz	QQDMIBARJXEJJS-VXKWHMMOSA-N	2	1	412.626	4.005	40	0		HIABMP
O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000224848906	568600254	/nfs/dbraw/zinc/60/02/54/568600254.db2.gz	SGJQANMPZQCKQP-DEOSSOPVSA-N	2	1	423.576	4.340	40	0		HIABMP
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)cc2)C1	ZINC000038831706	558816924	/nfs/dbraw/zinc/81/69/24/558816924.db2.gz	CCVHVQCGKBVPPQ-NRFANRHFSA-N	2	1	405.586	4.444	40	0		HIABMP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225586183	568654815	/nfs/dbraw/zinc/65/48/15/568654815.db2.gz	WPSYYBMFLNTWOA-NRFANRHFSA-N	2	1	424.004	4.462	40	0		HIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225586183	568654818	/nfs/dbraw/zinc/65/48/18/568654818.db2.gz	WPSYYBMFLNTWOA-NRFANRHFSA-N	2	1	424.004	4.462	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)[NH+](C)C1	ZINC000248133692	569316299	/nfs/dbraw/zinc/31/62/99/569316299.db2.gz	NVOOLVRPFINNGN-ZDXQCDESSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@H+](C)C1	ZINC000248133692	569316300	/nfs/dbraw/zinc/31/63/00/569316300.db2.gz	NVOOLVRPFINNGN-ZDXQCDESSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@@H+](C)C1	ZINC000248133692	569316301	/nfs/dbraw/zinc/31/63/01/569316301.db2.gz	NVOOLVRPFINNGN-ZDXQCDESSA-N	2	1	421.585	4.175	40	0		HIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2cccc(Cl)c2)CC1	ZINC000009062658	569342169	/nfs/dbraw/zinc/34/21/69/569342169.db2.gz	KDTLMNCNCGCWME-JOCHJYFZSA-N	2	1	406.014	4.323	40	0		HIABMP
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000038831125	558816520	/nfs/dbraw/zinc/81/65/20/558816520.db2.gz	BOMDWESAZQDNSB-DEOSSOPVSA-N	2	1	423.576	4.340	40	0		HIABMP
COc1ccc(C[N@@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cc1Cc1c(C)n[nH]c1C	ZINC000019658395	558950452	/nfs/dbraw/zinc/95/04/52/558950452.db2.gz	STIYMLAYMIYDHW-NRFANRHFSA-N	2	1	407.562	4.043	40	0		HIABMP
COc1ccc(C[N@H+]2CCC[C@H](Cn3cc[nH+]c3C)C2)cc1Cc1c(C)n[nH]c1C	ZINC000019658395	558950454	/nfs/dbraw/zinc/95/04/54/558950454.db2.gz	STIYMLAYMIYDHW-NRFANRHFSA-N	2	1	407.562	4.043	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)[NH+](C)C1	ZINC000019234970	569345291	/nfs/dbraw/zinc/34/52/91/569345291.db2.gz	NVOOLVRPFINNGN-AKFKNWHVSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@H+](C)C1	ZINC000019234970	569345292	/nfs/dbraw/zinc/34/52/92/569345292.db2.gz	NVOOLVRPFINNGN-AKFKNWHVSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@@H]([C@@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@@H+](C)C1	ZINC000019234970	569345293	/nfs/dbraw/zinc/34/52/93/569345293.db2.gz	NVOOLVRPFINNGN-AKFKNWHVSA-N	2	1	421.585	4.175	40	0		HIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000039757174	558688070	/nfs/dbraw/zinc/68/80/70/558688070.db2.gz	SRJNBRBJAJGIHE-NRFANRHFSA-N	2	1	406.014	4.323	40	0		HIABMP
O=C(NCc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000038831124	558816537	/nfs/dbraw/zinc/81/65/37/558816537.db2.gz	BOMDWESAZQDNSB-XMMPIXPASA-N	2	1	423.576	4.340	40	0		HIABMP
C[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc2cc(Cl)ccc2o1	ZINC000019458510	558892612	/nfs/dbraw/zinc/89/26/12/558892612.db2.gz	QQNDVAGKVIJBJJ-OAHLLOKOSA-N	2	1	403.954	4.070	40	0		HIABMP
CC(C)c1nc(NCC[NH+](C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)[nH+]1	ZINC000329065339	568975281	/nfs/dbraw/zinc/97/52/81/568975281.db2.gz	XQIMXBVMEGFUEN-UHFFFAOYSA-N	2	1	423.483	4.035	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)[NH+](C)C1	ZINC000248133686	569316427	/nfs/dbraw/zinc/31/64/27/569316427.db2.gz	NVOOLVRPFINNGN-WMTXJRDZSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@H+](C)C1	ZINC000248133686	569316428	/nfs/dbraw/zinc/31/64/28/569316428.db2.gz	NVOOLVRPFINNGN-WMTXJRDZSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@@H+](C)C1	ZINC000248133686	569316429	/nfs/dbraw/zinc/31/64/29/569316429.db2.gz	NVOOLVRPFINNGN-WMTXJRDZSA-N	2	1	421.585	4.175	40	0		HIABMP
CCOc1cc(C[NH2+]CCC[NH2+]C)cc(Br)c1OCc1ccccc1	ZINC000008254046	557778316	/nfs/dbraw/zinc/77/83/16/557778316.db2.gz	IHYXHIBIPRJEEV-UHFFFAOYSA-N	2	1	407.352	4.126	40	0		HIABMP
CC[C@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039765994	558685836	/nfs/dbraw/zinc/68/58/36/558685836.db2.gz	IGEXRNWKHLYJRX-IBGZPJMESA-N	2	1	424.004	4.462	40	0		HIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039765994	558685840	/nfs/dbraw/zinc/68/58/40/558685840.db2.gz	IGEXRNWKHLYJRX-IBGZPJMESA-N	2	1	424.004	4.462	40	0		HIABMP
C[N@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2	ZINC000096220895	559102029	/nfs/dbraw/zinc/10/20/29/559102029.db2.gz	TZGLNCZXRXSJNU-LJQANCHMSA-N	2	1	403.929	4.130	40	0		HIABMP
C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CC[NH+](Cc1ccc(Cl)c(F)c1)CC2	ZINC000096220895	559102031	/nfs/dbraw/zinc/10/20/31/559102031.db2.gz	TZGLNCZXRXSJNU-LJQANCHMSA-N	2	1	403.929	4.130	40	0		HIABMP
COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]2CCCO2)cc1OC	ZINC000013994219	560831642	/nfs/dbraw/zinc/83/16/42/560831642.db2.gz	NISYBYUUGVRKHY-HSZRJFAPSA-N	2	1	421.541	4.379	40	0		HIABMP
COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@H]2CCCO2)cc1OC	ZINC000013994219	560831644	/nfs/dbraw/zinc/83/16/44/560831644.db2.gz	NISYBYUUGVRKHY-HSZRJFAPSA-N	2	1	421.541	4.379	40	0		HIABMP
C[C@@H]1CCCC[NH+]1CCCc1nnc(CCC[N@@H+]2CCCC[C@@H]2C)n1-n1cccc1	ZINC000225152772	568618196	/nfs/dbraw/zinc/61/81/96/568618196.db2.gz	QQDMIBARJXEJJS-SZPZYZBQSA-N	2	1	412.626	4.005	40	0		HIABMP
C[C@@H]1CCCC[N@H+]1CCCc1nnc(CCC[NH+]2CCCC[C@@H]2C)n1-n1cccc1	ZINC000225152772	568618197	/nfs/dbraw/zinc/61/81/97/568618197.db2.gz	QQDMIBARJXEJJS-SZPZYZBQSA-N	2	1	412.626	4.005	40	0		HIABMP
C[C@@H]1CCCC[N@@H+]1CCCc1nnc(CCC[NH+]2CCCC[C@@H]2C)n1-n1cccc1	ZINC000225152772	568618198	/nfs/dbraw/zinc/61/81/98/568618198.db2.gz	QQDMIBARJXEJJS-SZPZYZBQSA-N	2	1	412.626	4.005	40	0		HIABMP
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1	ZINC000009062679	569342180	/nfs/dbraw/zinc/34/21/80/569342180.db2.gz	VSVDEHCWNNGKBR-KDURUIRLSA-N	2	1	406.014	4.036	40	0		HIABMP
Cc1ccc(C[N@@H+]2CCC[C@@]3(CN(Cc4cccnc4)CC34C[NH+](C(C)C)C4)CC2)o1	ZINC000306126122	568888813	/nfs/dbraw/zinc/88/88/13/568888813.db2.gz	DNMDTXIKQSJFHO-VWLOTQADSA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[NH+]2CCC[C@@]3(C[N@@H+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126122	568888814	/nfs/dbraw/zinc/88/88/14/568888814.db2.gz	DNMDTXIKQSJFHO-VWLOTQADSA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[NH+]2CCC[C@@]3(C[N@H+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126122	568888815	/nfs/dbraw/zinc/88/88/15/568888815.db2.gz	DNMDTXIKQSJFHO-VWLOTQADSA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[N@H+]2CCC[C@@]3(C[NH+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126122	568888816	/nfs/dbraw/zinc/88/88/16/568888816.db2.gz	DNMDTXIKQSJFHO-VWLOTQADSA-N	2	1	422.617	4.182	40	0		HIABMP
Cc1ccc(C[N@@H+]2CCC[C@@]3(C[NH+](Cc4cccnc4)CC34CN(C(C)C)C4)CC2)o1	ZINC000306126122	568888817	/nfs/dbraw/zinc/88/88/17/568888817.db2.gz	DNMDTXIKQSJFHO-VWLOTQADSA-N	2	1	422.617	4.182	40	0		HIABMP
CNc1cc(C[N@H+](C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759973	569348794	/nfs/dbraw/zinc/34/87/94/569348794.db2.gz	XLIAVDMXXBIPNF-JOCHJYFZSA-N	2	1	405.521	4.381	40	0		HIABMP
CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@H]2CCC[NH2+]2)n1	ZINC000019759973	569348795	/nfs/dbraw/zinc/34/87/95/569348795.db2.gz	XLIAVDMXXBIPNF-JOCHJYFZSA-N	2	1	405.521	4.381	40	0		HIABMP
C[N@@H+](Cc1ccc2c(c1)OCCO2)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000019590891	558940887	/nfs/dbraw/zinc/94/08/87/558940887.db2.gz	WVSPESVJYJEQLO-UHFFFAOYSA-N	2	1	408.542	4.095	40	0		HIABMP
C[NH+](Cc1ccc2c(c1)OCCO2)C1CCC2(CC1)C[N@H+](C)Cc1ccccc1O2	ZINC000019590891	558940889	/nfs/dbraw/zinc/94/08/89/558940889.db2.gz	WVSPESVJYJEQLO-UHFFFAOYSA-N	2	1	408.542	4.095	40	0		HIABMP
C[NH+](Cc1ccc2c(c1)OCCO2)C1CCC2(CC1)C[N@@H+](C)Cc1ccccc1O2	ZINC000019590891	558940891	/nfs/dbraw/zinc/94/08/91/558940891.db2.gz	WVSPESVJYJEQLO-UHFFFAOYSA-N	2	1	408.542	4.095	40	0		HIABMP
COc1ccc(C[N@@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cc1Cc1c(C)n[nH]c1C	ZINC000019658393	558950426	/nfs/dbraw/zinc/95/04/26/558950426.db2.gz	STIYMLAYMIYDHW-OAQYLSRUSA-N	2	1	407.562	4.043	40	0		HIABMP
COc1ccc(C[N@H+]2CCC[C@@H](Cn3cc[nH+]c3C)C2)cc1Cc1c(C)n[nH]c1C	ZINC000019658393	558950430	/nfs/dbraw/zinc/95/04/30/558950430.db2.gz	STIYMLAYMIYDHW-OAQYLSRUSA-N	2	1	407.562	4.043	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(C)c3)C2)[NH+](C)C1	ZINC000019234972	569345341	/nfs/dbraw/zinc/34/53/41/569345341.db2.gz	NVOOLVRPFINNGN-CQOQZXRMSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@H+](C)C1	ZINC000019234972	569345342	/nfs/dbraw/zinc/34/53/42/569345342.db2.gz	NVOOLVRPFINNGN-CQOQZXRMSA-N	2	1	421.585	4.175	40	0		HIABMP
COc1ccccc1NC(=O)[C@@H]1C[C@H]([C@@H]2CCC[NH+](Cc3cccc(C)c3)C2)[N@@H+](C)C1	ZINC000019234972	569345343	/nfs/dbraw/zinc/34/53/43/569345343.db2.gz	NVOOLVRPFINNGN-CQOQZXRMSA-N	2	1	421.585	4.175	40	0		HIABMP
C[NH+](C)Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccccc2)C1	ZINC000004237323	291263563	/nfs/dbraw/zinc/26/35/63/291263563.db2.gz	AMBGVWFHGMEKGZ-JTHBVZDNSA-N	2	1	413.565	4.196	40	0	biogenic,in-vitro	HIABMP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[N@H+]3CCC[C@H](C)C3)cc2)cc1	ZINC000020456345	558370039	/nfs/dbraw/zinc/37/00/39/558370039.db2.gz	QVZOHYHVJDUFOT-IBGZPJMESA-N	2	1	402.542	4.343	40	0		HIABMP
Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)cc1	ZINC000020456345	558370040	/nfs/dbraw/zinc/37/00/40/558370040.db2.gz	QVZOHYHVJDUFOT-IBGZPJMESA-N	2	1	402.542	4.343	40	0		HIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@H+](CCc1ccccc1)Cc1cccs1	ZINC000585263546	559112033	/nfs/dbraw/zinc/11/20/33/559112033.db2.gz	CUCAVLXDUWADBA-UBFVSLLYSA-N	2	1	406.595	4.475	40	0		HIABMP
O[C@@H]1[C@H]([NH2+]Cc2ccccc2)CC[C@H]1[N@@H+](CCc1ccccc1)Cc1cccs1	ZINC000585263546	559112035	/nfs/dbraw/zinc/11/20/35/559112035.db2.gz	CUCAVLXDUWADBA-UBFVSLLYSA-N	2	1	406.595	4.475	40	0		HIABMP
C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@H]1C1CC[NH+](Cc2cccs2)CC1	ZINC000248123156	569316315	/nfs/dbraw/zinc/31/63/15/569316315.db2.gz	KUURAXLUFALKFQ-UWJYYQICSA-N	2	1	401.551	4.058	40	0		HIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccccc2Cl)CC1	ZINC000039757173	558688051	/nfs/dbraw/zinc/68/80/51/558688051.db2.gz	SRJNBRBJAJGIHE-OAQYLSRUSA-N	2	1	406.014	4.323	40	0		HIABMP
CC(C)(C)[NH+]1CC2(c3ccccc3)C[NH+](C(C)(C)C)CC(c3ccccc3)(C1)C2O	ZINC000020507184	568619799	/nfs/dbraw/zinc/61/97/99/568619799.db2.gz	DRMMDDIKOPEIKF-UHFFFAOYSA-N	2	1	406.614	4.452	40	0		HIABMP
C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1	ZINC000009062755	569342286	/nfs/dbraw/zinc/34/22/86/569342286.db2.gz	MHHPONAMEGBQCH-QZTJIDSGSA-N	2	1	424.004	4.175	40	0		HIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1	ZINC000044932539	527386047	/nfs/dbraw/zinc/38/60/47/527386047.db2.gz	FDKNEXMOKPTBAJ-IBGZPJMESA-N	2	1	402.542	4.343	40	0		HIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1	ZINC000044932539	527386056	/nfs/dbraw/zinc/38/60/56/527386056.db2.gz	FDKNEXMOKPTBAJ-IBGZPJMESA-N	2	1	402.542	4.343	40	0		HIABMP
C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C1	ZINC000038831721	558816914	/nfs/dbraw/zinc/81/69/14/558816914.db2.gz	IDTPRWYIRLBNCO-OAQYLSRUSA-N	2	1	405.586	4.444	40	0		HIABMP
CN(C)c1cc(C[N@H+](C)Cc2ccc(-c3ccccc3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710135	558971919	/nfs/dbraw/zinc/97/19/19/558971919.db2.gz	AVWYOTCVCGBFFD-UHFFFAOYSA-N	2	1	415.585	4.309	40	0		HIABMP
CN(C)c1cc(C[N@@H+](C)Cc2ccc(-c3ccccc3)cc2)nc(C2CC[NH2+]CC2)n1	ZINC000019710135	558971922	/nfs/dbraw/zinc/97/19/22/558971922.db2.gz	AVWYOTCVCGBFFD-UHFFFAOYSA-N	2	1	415.585	4.309	40	0		HIABMP
O[C@H]1[C@H](Oc2cccc(Cl)c2)CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1	ZINC000585290421	559122947	/nfs/dbraw/zinc/12/29/47/559122947.db2.gz	WFURHONGDLIAIP-RBZQAINGSA-N	2	1	414.977	4.255	40	0		HIABMP
COc1cccc(-c2nc3sccn3c2C[NH+]2CCC(Cn3cc[nH+]c3C)CC2)c1	ZINC000019715783	558976963	/nfs/dbraw/zinc/97/69/63/558976963.db2.gz	HCZKGDPBVBCOIJ-UHFFFAOYSA-N	2	1	421.570	4.489	40	0		HIABMP
CC(=O)N1CCC([N@@H+]2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1	ZINC000257339096	568815784	/nfs/dbraw/zinc/81/57/84/568815784.db2.gz	ZAESWWJHYDFUCC-IBGZPJMESA-N	2	1	410.537	4.463	40	0		HIABMP
CC(=O)N1CCC([N@H+]2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)[nH+]3)C2)CC1	ZINC000257339096	568815785	/nfs/dbraw/zinc/81/57/85/568815785.db2.gz	ZAESWWJHYDFUCC-IBGZPJMESA-N	2	1	410.537	4.463	40	0		HIABMP
CC1(C)CC([N@H+]2CC[C@@](O)(c3ccccc3)[C@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1	ZINC000004263175	569322530	/nfs/dbraw/zinc/32/25/30/569322530.db2.gz	NEOJLOAKLIOQTH-WNCULLNHSA-N	2	1	420.597	4.388	40	0		HIABMP
O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1	ZINC000038831109	558816563	/nfs/dbraw/zinc/81/65/63/558816563.db2.gz	QQVXPKRKWQNYEF-DEOSSOPVSA-N	2	1	423.576	4.340	40	0		HIABMP
Cc1cc(Nc2cnccn2)cc([C@H]2CCCN2C(=O)CCC[NH+]2CCCCCC2)[nH+]1	ZINC000072372663	558960348	/nfs/dbraw/zinc/96/03/48/558960348.db2.gz	FTJDIAXKQNSNPX-JOCHJYFZSA-N	2	1	422.577	4.243	40	0		HIABMP
CC1(C)CC([N@H+]2CC[C@@](O)(c3ccccc3)[C@@H](C(=O)c3ccccc3)C2)CC(C)(C)[NH2+]1	ZINC000012139855	569042808	/nfs/dbraw/zinc/04/28/08/569042808.db2.gz	NEOJLOAKLIOQTH-YIXXDRMTSA-N	2	1	420.597	4.388	40	0		HIABMP
CNc1cc(C[N@H+](C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759970	569348800	/nfs/dbraw/zinc/34/88/00/569348800.db2.gz	XLIAVDMXXBIPNF-QFIPXVFZSA-N	2	1	405.521	4.381	40	0		HIABMP
CNc1cc(C[N@@H+](C)Cc2ccc(-c3ccc(F)cc3)cc2)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019759970	569348801	/nfs/dbraw/zinc/34/88/01/569348801.db2.gz	XLIAVDMXXBIPNF-QFIPXVFZSA-N	2	1	405.521	4.381	40	0		HIABMP
CC(C)[N@H+]1CCOC[C@@]2(CC[C@H](C[NH2+]Cc3ccc(-c4ccc(Cl)cc4)o3)O2)C1	ZINC000248146645	568747689	/nfs/dbraw/zinc/74/76/89/568747689.db2.gz	FBJOQKKBNPBUNL-FYYLOGMGSA-N	2	1	418.965	4.348	40	0		HIABMP
O[C@H]1CC[C@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@H]3C[C@@H]2[C@@H]1C[NH2+]Cc1ccccc1	ZINC000004429924	557554780	/nfs/dbraw/zinc/55/47/80/557554780.db2.gz	ZUWKRYJSHNVYBR-FKGHCGTHSA-N	2	1	415.581	4.264	40	0		HIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[NH+]2CCC(C)CC2)cc1	ZINC000020452201	558366328	/nfs/dbraw/zinc/36/63/28/558366328.db2.gz	AUWCXIMWLFNMDF-UHFFFAOYSA-N	2	1	402.542	4.343	40	0		HIABMP
C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NCc3cccc(C[NH+]4CCCC4)c3)cc2)C1	ZINC000038831722	558816862	/nfs/dbraw/zinc/81/68/62/558816862.db2.gz	IDTPRWYIRLBNCO-NRFANRHFSA-N	2	1	405.586	4.444	40	0		HIABMP
C[C@@H](NC(=O)[C@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458507	558892576	/nfs/dbraw/zinc/89/25/76/558892576.db2.gz	ZSTLIDHLKKPAHT-CVEARBPZSA-N	2	1	403.954	4.070	40	0		HIABMP
C[C@@H](NC(=O)[C@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458507	558892577	/nfs/dbraw/zinc/89/25/77/558892577.db2.gz	ZSTLIDHLKKPAHT-CVEARBPZSA-N	2	1	403.954	4.070	40	0		HIABMP
COc1ccc(C[N@H+]2CCC[C@]3(C[NH+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130151	568892457	/nfs/dbraw/zinc/89/24/57/568892457.db2.gz	IXPRRPJJIFOPOB-AREMUKBSSA-N	2	1	419.613	4.115	40	0		HIABMP
COc1ccc(C[NH+]2CCC[C@]3(C[N@H+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130151	568892460	/nfs/dbraw/zinc/89/24/60/568892460.db2.gz	IXPRRPJJIFOPOB-AREMUKBSSA-N	3	1	419.613	4.115	40	0		HIABMP
COc1ccc(C[NH+]2CCC[C@]3(C[N@@H+](Cc4ccccc4)CC34CN(C)C4)CC2)cc1	ZINC000306130151	568892462	/nfs/dbraw/zinc/89/24/62/568892462.db2.gz	IXPRRPJJIFOPOB-AREMUKBSSA-N	3	1	419.613	4.115	40	0		HIABMP
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)C1	ZINC000009062654	569342187	/nfs/dbraw/zinc/34/21/87/569342187.db2.gz	BUZMHRZCBKJMKN-KDURUIRLSA-N	2	1	406.014	4.036	40	0		HIABMP
CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039765992	558685880	/nfs/dbraw/zinc/68/58/80/558685880.db2.gz	IGEXRNWKHLYJRX-LJQANCHMSA-N	2	1	424.004	4.462	40	0		HIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1	ZINC000039765992	558685882	/nfs/dbraw/zinc/68/58/82/558685882.db2.gz	IGEXRNWKHLYJRX-LJQANCHMSA-N	2	1	424.004	4.462	40	0		HIABMP
CC[C@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039753779	558687222	/nfs/dbraw/zinc/68/72/22/558687222.db2.gz	NLNUCNXHYMQXBH-QFIPXVFZSA-N	2	1	406.014	4.323	40	0		HIABMP
C[C@H](NC(=O)[C@@H]1CCC[N@@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458506	558892649	/nfs/dbraw/zinc/89/26/49/558892649.db2.gz	ZSTLIDHLKKPAHT-JKSUJKDBSA-N	2	1	403.954	4.070	40	0		HIABMP
C[C@H](NC(=O)[C@@H]1CCC[N@H+](C2CC[NH+](C)CC2)C1)c1cc2cc(Cl)ccc2o1	ZINC000019458506	558892651	/nfs/dbraw/zinc/89/26/51/558892651.db2.gz	ZSTLIDHLKKPAHT-JKSUJKDBSA-N	2	1	403.954	4.070	40	0		HIABMP
COc1ccc(C[N@@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]2CCCO2)cc1OC	ZINC000013994216	560831600	/nfs/dbraw/zinc/83/16/00/560831600.db2.gz	NISYBYUUGVRKHY-QHCPKHFHSA-N	2	1	421.541	4.379	40	0		HIABMP
COc1ccc(C[N@H+](Cc2ccc(-n3cc[nH+]c3C)cc2)C[C@@H]2CCCO2)cc1OC	ZINC000013994216	560831602	/nfs/dbraw/zinc/83/16/02/560831602.db2.gz	NISYBYUUGVRKHY-QHCPKHFHSA-N	2	1	421.541	4.379	40	0		HIABMP
Cc1[nH+]ccn1Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cc1	ZINC000224853506	568600383	/nfs/dbraw/zinc/60/03/83/568600383.db2.gz	MRVODMSNFXGTNH-UHFFFAOYSA-N	2	1	402.542	4.156	40	0		HIABMP
O=C(NCCC[NH+]1CCCCCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1	ZINC000225581750	568654038	/nfs/dbraw/zinc/65/40/38/568654038.db2.gz	RMQYVSLLKHLHAQ-UHFFFAOYSA-N	2	1	409.977	4.073	40	0		HIABMP
C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1	ZINC000009062753	569342219	/nfs/dbraw/zinc/34/22/19/569342219.db2.gz	MHHPONAMEGBQCH-HDICACEKSA-N	2	1	424.004	4.175	40	0		HIABMP
C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C2CC[NH+](Cc3c(F)cccc3Cl)CC2)C1	ZINC000009062753	569342220	/nfs/dbraw/zinc/34/22/20/569342220.db2.gz	MHHPONAMEGBQCH-HDICACEKSA-N	2	1	424.004	4.175	40	0		HIABMP
COc1cc(C[NH2+]CCC[NH+](C)C)cc(Br)c1OCc1ccccc1	ZINC000008373827	557784202	/nfs/dbraw/zinc/78/42/02/557784202.db2.gz	SKFYXKCDNCRNOP-UHFFFAOYSA-N	2	1	407.352	4.078	40	0		HIABMP
C[N@H+]1C[C@@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](Cc2cccs2)CC1	ZINC000019587743	558939815	/nfs/dbraw/zinc/93/98/15/558939815.db2.gz	KUURAXLUFALKFQ-LAUBAEHRSA-N	2	1	401.551	4.058	40	0		HIABMP
C[N@H+]1C[C@H](C(=O)Nc2ccc(F)cc2)C[C@@H]1C1CC[NH+](Cc2cccs2)CC1	ZINC000019587745	558939847	/nfs/dbraw/zinc/93/98/47/558939847.db2.gz	KUURAXLUFALKFQ-DYESRHJHSA-N	2	1	401.551	4.058	40	0		HIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1	ZINC000044932541	527385485	/nfs/dbraw/zinc/38/54/85/527385485.db2.gz	FDKNEXMOKPTBAJ-LJQANCHMSA-N	2	1	402.542	4.343	40	0		HIABMP
Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1	ZINC000044932541	527385492	/nfs/dbraw/zinc/38/54/92/527385492.db2.gz	FDKNEXMOKPTBAJ-LJQANCHMSA-N	2	1	402.542	4.343	40	0		HIABMP
CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)cc2)CC1	ZINC000039753778	558687262	/nfs/dbraw/zinc/68/72/62/558687262.db2.gz	NLNUCNXHYMQXBH-JOCHJYFZSA-N	2	1	406.014	4.323	40	0		HIABMP
Cc1cc(Nc2ccccn2)cc(C2CC[NH+](CC(=O)NC3CCCCC3)CC2)[nH+]1	ZINC000257307722	568807001	/nfs/dbraw/zinc/80/70/01/568807001.db2.gz	SZYUXYVBXLGJEU-UHFFFAOYSA-N	2	1	407.562	4.157	40	0		HIABMP