smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1c[nH]c(C2CC[NH+](Cc3ccccc3)CC2)[nH+]1	ZINC000085395447	179049344	/nfs/dbraw/zinc/04/93/44/179049344.db2.gz	BRIUUZOXFFENMX-UHFFFAOYSA-N	2	2	255.365	3.098	40	0		CGABLP
Cc1cc(CC2CC[NH+](Cc3cscn3)CC2)cc[nH+]1	ZINC000257201855	190010764	/nfs/dbraw/zinc/01/07/64/190010764.db2.gz	AJHYEQDZZYKXRX-UHFFFAOYSA-N	2	2	287.432	3.301	40	0		CGABLP
Clc1ccc(C[NH2+]C[C@H]2CCCC[NH2+]2)cc1Cl	ZINC000072203657	176341484	/nfs/dbraw/zinc/34/14/84/176341484.db2.gz	BRYNZNMTVPHSCC-LLVKDONJSA-N	2	2	273.207	3.225	40	0		CGABLP
COc1ccc2ccccc2c1[C@@H](C[NH3+])[NH+]1CCCCC1	ZINC000032055278	274141723	/nfs/dbraw/zinc/14/17/23/274141723.db2.gz	KXFYSDUDMGNQDA-MRXNPFEDSA-N	2	2	284.403	3.334	40	0		CGABLP
CC1CC[NH+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1	ZINC000095532277	185005321	/nfs/dbraw/zinc/00/53/21/185005321.db2.gz	ZGXAPCFMMRTKNV-AWEZNQCLSA-N	2	2	286.341	3.437	40	0		CGABLP
CCCCC[NH+]1CC2(C1)CC[N@H+](Cc1ccccc1)C2	ZINC000096070803	185086335	/nfs/dbraw/zinc/08/63/35/185086335.db2.gz	GZCCXOXXBGTCCG-UHFFFAOYSA-N	2	2	272.436	3.385	40	0		CGABLP
CCCCC[NH+]1CC2(C1)CC[N@@H+](Cc1ccccc1)C2	ZINC000096070803	185086336	/nfs/dbraw/zinc/08/63/36/185086336.db2.gz	GZCCXOXXBGTCCG-UHFFFAOYSA-N	2	2	272.436	3.385	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257245998	190019349	/nfs/dbraw/zinc/01/93/49/190019349.db2.gz	ISAFHLLNQZGDKX-KRWDZBQOSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257245998	190019350	/nfs/dbraw/zinc/01/93/50/190019350.db2.gz	ISAFHLLNQZGDKX-KRWDZBQOSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@@H+]2CC2CCOCC2)cc[nH+]1	ZINC000257311690	190032085	/nfs/dbraw/zinc/03/20/85/190032085.db2.gz	UKQAARSVVGOQES-SFHVURJKSA-N	2	2	288.435	3.214	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@H+]2CC2CCOCC2)cc[nH+]1	ZINC000257311690	190032086	/nfs/dbraw/zinc/03/20/86/190032086.db2.gz	UKQAARSVVGOQES-SFHVURJKSA-N	2	2	288.435	3.214	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H]2[NH2+]CCCC[C@H]21	ZINC000257322356	393135972	/nfs/dbraw/zinc/13/59/72/393135972.db2.gz	WFRDYUQAELFEHN-ZWOQHNGQSA-N	2	2	270.420	3.306	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@H+]1CC[C@H]2[NH2+]CCCC[C@H]21	ZINC000257322356	393135977	/nfs/dbraw/zinc/13/59/77/393135977.db2.gz	WFRDYUQAELFEHN-ZWOQHNGQSA-N	2	2	270.420	3.306	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000022168421	287359397	/nfs/dbraw/zinc/35/93/97/287359397.db2.gz	AZSNIQWQHVUQLA-RISCZKNCSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000022168421	287359398	/nfs/dbraw/zinc/35/93/98/287359398.db2.gz	AZSNIQWQHVUQLA-RISCZKNCSA-N	2	2	252.789	3.072	40	0		CGABLP
Cc1ccc(-c2[nH+]c3ccc(C)cn3c2CC[NH3+])cc1	ZINC000002526959	368460455	/nfs/dbraw/zinc/46/04/55/368460455.db2.gz	DQOCYACSYBACPH-UHFFFAOYSA-N	2	2	265.360	3.119	40	0		CGABLP
c1cn2c(cccc2C2CC[NH+](Cc3cccnc3)CC2)[nH+]1	ZINC000257295261	190028812	/nfs/dbraw/zinc/02/88/12/190028812.db2.gz	QXQBQBKTIVZCJP-UHFFFAOYSA-N	2	2	292.386	3.109	40	0		CGABLP
CC(C)[N@@H+]1CCC[C@@H](c2cccc(-c3c[nH+]cn3C)n2)C1	ZINC000257326008	190034426	/nfs/dbraw/zinc/03/44/26/190034426.db2.gz	WVJOIDWDZSEMHB-CQSZACIVSA-N	2	2	284.407	3.070	40	0		CGABLP
CC(C)[N@H+]1CCC[C@@H](c2cccc(-c3c[nH+]cn3C)n2)C1	ZINC000257326008	190034427	/nfs/dbraw/zinc/03/44/27/190034427.db2.gz	WVJOIDWDZSEMHB-CQSZACIVSA-N	2	2	284.407	3.070	40	0		CGABLP
C[NH+](C)CCC[NH2+]Cc1cccc(Cl)c1Cl	ZINC000058099904	175607526	/nfs/dbraw/zinc/60/75/26/175607526.db2.gz	JFODRFPGPGYQIT-UHFFFAOYSA-N	2	2	261.196	3.035	40	0		CGABLP
[NH3+]CCNc1cc[nH+]c2c(Oc3ccccc3)cccc12	ZINC000222683946	534636850	/nfs/dbraw/zinc/63/68/50/534636850.db2.gz	HMVPADZGRZNYCV-UHFFFAOYSA-N	2	2	279.343	3.398	40	0		CGABLP
c1ccc(CC[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000062718672	345239919	/nfs/dbraw/zinc/23/99/19/345239919.db2.gz	HWJAIUTUKQABMS-UHFFFAOYSA-N	2	2	279.387	3.328	40	0		CGABLP
Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000072378706	369816987	/nfs/dbraw/zinc/81/69/87/369816987.db2.gz	KAXRFDOJEKOYQR-MRXNPFEDSA-N	2	2	297.406	3.050	40	0		CGABLP
Cc1[nH+]ccn1-c1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1	ZINC000072378706	369816992	/nfs/dbraw/zinc/81/69/92/369816992.db2.gz	KAXRFDOJEKOYQR-MRXNPFEDSA-N	2	2	297.406	3.050	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccncc2)cc[nH+]1	ZINC000257265140	190022945	/nfs/dbraw/zinc/02/29/45/190022945.db2.gz	LXLSJXBAZDDBFJ-GOSISDBHSA-N	2	2	281.403	3.382	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccncc2)cc[nH+]1	ZINC000257265140	190022946	/nfs/dbraw/zinc/02/29/46/190022946.db2.gz	LXLSJXBAZDDBFJ-GOSISDBHSA-N	2	2	281.403	3.382	40	0		CGABLP
[NH3+]C[C@@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1	ZINC000039789200	174173575	/nfs/dbraw/zinc/17/35/75/174173575.db2.gz	SAHMBTSGZRHQJZ-IBGZPJMESA-N	2	2	296.414	3.361	40	0		CGABLP
Cc1ccc(C[C@H]2CCC[N@H+](Cc3cncs3)C2)c[nH+]1	ZINC000257219857	190014219	/nfs/dbraw/zinc/01/42/19/190014219.db2.gz	DIMMPKKAKVQICF-OAHLLOKOSA-N	2	2	287.432	3.301	40	0		CGABLP
Cc1ccc(C[C@H]2CCC[N@@H+](Cc3cncs3)C2)c[nH+]1	ZINC000257219857	190014220	/nfs/dbraw/zinc/01/42/20/190014220.db2.gz	DIMMPKKAKVQICF-OAHLLOKOSA-N	2	2	287.432	3.301	40	0		CGABLP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000096184674	392246573	/nfs/dbraw/zinc/24/65/73/392246573.db2.gz	VLWWFIYDAHQFPC-IRXDYDNUSA-N	2	2	297.402	3.145	40	0		CGABLP
Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000096184674	392246579	/nfs/dbraw/zinc/24/65/79/392246579.db2.gz	VLWWFIYDAHQFPC-IRXDYDNUSA-N	2	2	297.402	3.145	40	0		CGABLP
C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268574	370209551	/nfs/dbraw/zinc/20/95/51/370209551.db2.gz	XCLAKTGLPULDCJ-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268574	370209555	/nfs/dbraw/zinc/20/95/55/370209555.db2.gz	XCLAKTGLPULDCJ-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268574	370209560	/nfs/dbraw/zinc/20/95/60/370209560.db2.gz	XCLAKTGLPULDCJ-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268574	370209563	/nfs/dbraw/zinc/20/95/63/370209563.db2.gz	XCLAKTGLPULDCJ-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@@H+](C3CCCCC3)C2)[nH+]1	ZINC000257234001	190016887	/nfs/dbraw/zinc/01/68/87/190016887.db2.gz	GRQWRQPQMGQIPS-AWEZNQCLSA-N	2	2	261.413	3.241	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@H+](C3CCCCC3)C2)[nH+]1	ZINC000257234001	190016888	/nfs/dbraw/zinc/01/68/88/190016888.db2.gz	GRQWRQPQMGQIPS-AWEZNQCLSA-N	2	2	261.413	3.241	40	0		CGABLP
Cc1cc(N2CC[NH2+]CC2)c2cc(Cl)cc(Cl)c2[nH+]1	ZINC000032500254	274708437	/nfs/dbraw/zinc/70/84/37/274708437.db2.gz	UXRAKEJKYLOXBC-UHFFFAOYSA-N	2	2	296.201	3.260	40	0		CGABLP
CC[NH+](CC)[C@@H](C[NH3+])c1ccccc1C(F)(F)F	ZINC000022214825	279145304	/nfs/dbraw/zinc/14/53/04/279145304.db2.gz	CIMXURRRDNKBPD-LBPRGKRZSA-N	2	2	260.303	3.047	40	0		CGABLP
c1ccc(-c2ccc(OCC[N@@H+]3CCC[NH2+]CC3)cc2)cc1	ZINC000041486717	369188391	/nfs/dbraw/zinc/18/83/91/369188391.db2.gz	AIVHSJQHDBZKQF-UHFFFAOYSA-N	2	2	296.414	3.028	40	0		CGABLP
c1ccc(-c2ccc(OCC[N@H+]3CCC[NH2+]CC3)cc2)cc1	ZINC000041486717	369188398	/nfs/dbraw/zinc/18/83/98/369188398.db2.gz	AIVHSJQHDBZKQF-UHFFFAOYSA-N	2	2	296.414	3.028	40	0		CGABLP
C[NH2+][C@@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079438031	369968644	/nfs/dbraw/zinc/96/86/44/369968644.db2.gz	GBXVGBWCLZSMGO-IAGOWNOFSA-N	2	2	258.409	3.182	40	0		CGABLP
C[NH2+][C@@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079438031	369968650	/nfs/dbraw/zinc/96/86/50/369968650.db2.gz	GBXVGBWCLZSMGO-IAGOWNOFSA-N	2	2	258.409	3.182	40	0		CGABLP
Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cncs3)C2)c[nH+]1	ZINC000257219856	190013738	/nfs/dbraw/zinc/01/37/38/190013738.db2.gz	DIMMPKKAKVQICF-HNNXBMFYSA-N	2	2	287.432	3.301	40	0		CGABLP
Cc1ccc(C[C@@H]2CCC[N@@H+](Cc3cncs3)C2)c[nH+]1	ZINC000257219856	190013739	/nfs/dbraw/zinc/01/37/39/190013739.db2.gz	DIMMPKKAKVQICF-HNNXBMFYSA-N	2	2	287.432	3.301	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc(C)s3)C2)[nH+]1	ZINC000257288958	190027724	/nfs/dbraw/zinc/02/77/24/190027724.db2.gz	PWKPWUJUQXHBHR-ZDUSSCGKSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc(C)s3)C2)[nH+]1	ZINC000257288958	190027725	/nfs/dbraw/zinc/02/77/25/190027725.db2.gz	PWKPWUJUQXHBHR-ZDUSSCGKSA-N	2	2	275.421	3.088	40	0		CGABLP
CC(C)n1c2c(n3cc(-c4ccc(F)cc4)[nH+]c31)C[NH2+]CC2	ZINC000306125305	392635656	/nfs/dbraw/zinc/63/56/56/392635656.db2.gz	CMDDHCIBVVXPNA-UHFFFAOYSA-N	2	2	298.365	3.169	40	0		CGABLP
Cc1cc(NCCCCCC[NH3+])nc(-c2ccccc2)[nH+]1	ZINC000008731082	170351178	/nfs/dbraw/zinc/35/11/78/170351178.db2.gz	KMYNTNSYGAEUKE-UHFFFAOYSA-N	2	2	284.407	3.383	40	0		CGABLP
Cc1cc(C2CC[NH+](Cc3cccnc3)CC2)cc[nH+]1	ZINC000072366676	176382005	/nfs/dbraw/zinc/38/20/05/176382005.db2.gz	HZNUEXDYRMSQPZ-UHFFFAOYSA-N	2	2	267.376	3.165	40	0		CGABLP
CC(C)c1[nH+]c2ccccc2n1C[C@@H]1CCC[NH2+]C1	ZINC000057865705	369548759	/nfs/dbraw/zinc/54/87/59/369548759.db2.gz	LAGSQRQTNCLSRH-CYBMUJFWSA-N	2	2	257.381	3.159	40	0		CGABLP
Fc1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000062718644	369630170	/nfs/dbraw/zinc/63/01/70/369630170.db2.gz	ONAQIDSYPURAQG-UHFFFAOYSA-N	2	2	283.350	3.424	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257293208	190028556	/nfs/dbraw/zinc/02/85/56/190028556.db2.gz	QOOCJXAJCUQIQV-ZDUSSCGKSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257293208	190028557	/nfs/dbraw/zinc/02/85/57/190028557.db2.gz	QOOCJXAJCUQIQV-ZDUSSCGKSA-N	2	2	280.375	3.189	40	0		CGABLP
c1cn2c(cccc2[C@@H]2CCC[N@H+]2Cc2cccnc2)[nH+]1	ZINC000257332415	190035863	/nfs/dbraw/zinc/03/58/63/190035863.db2.gz	XXGIMBMTOMHWAF-HNNXBMFYSA-N	2	2	278.359	3.066	40	0		CGABLP
c1cn2c(cccc2[C@@H]2CCC[N@@H+]2Cc2cccnc2)[nH+]1	ZINC000257332415	190035864	/nfs/dbraw/zinc/03/58/64/190035864.db2.gz	XXGIMBMTOMHWAF-HNNXBMFYSA-N	2	2	278.359	3.066	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1	ZINC000367704557	527533939	/nfs/dbraw/zinc/53/39/39/527533939.db2.gz	OXLUPQOMIPTFBA-VMEIHUARSA-N	2	2	281.403	3.313	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1	ZINC000367704557	527533947	/nfs/dbraw/zinc/53/39/47/527533947.db2.gz	OXLUPQOMIPTFBA-VMEIHUARSA-N	2	2	281.403	3.313	40	0		CGABLP
CC(C)C[NH2+][C@@H]1CC[N@H+](C)Cc2ccc(Cl)cc21	ZINC000096510458	392257363	/nfs/dbraw/zinc/25/73/63/392257363.db2.gz	QPJSORAIVDIMSQ-OAHLLOKOSA-N	2	2	266.816	3.462	40	0		CGABLP
CC(C)C[NH2+][C@@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21	ZINC000096510458	392257369	/nfs/dbraw/zinc/25/73/69/392257369.db2.gz	QPJSORAIVDIMSQ-OAHLLOKOSA-N	2	2	266.816	3.462	40	0		CGABLP
C[NH2+]CCCNc1cc(C)[nH+]c2c(OC)ccc(Cl)c12	ZINC000222691991	529971524	/nfs/dbraw/zinc/97/15/24/529971524.db2.gz	HBCJSIVZSCVGMW-UHFFFAOYSA-N	2	2	293.798	3.227	40	0		CGABLP
CC[NH+](CC)[C@H](C[NH3+])c1ccc(Cl)c(Cl)c1	ZINC000019262326	368746776	/nfs/dbraw/zinc/74/67/76/368746776.db2.gz	AMLOLOJKDZELSU-GFCCVEGCSA-N	2	2	261.196	3.335	40	0		CGABLP
COc1ccccc1C[NH2+][C@H]1CCC[NH2+][C@H]1c1ccccc1	ZINC000022441784	171387656	/nfs/dbraw/zinc/38/76/56/171387656.db2.gz	DTQNEFOKTXXQKV-HKUYNNGSSA-N	2	2	296.414	3.278	40	0	in-vivo	CGABLP
c1cn(-c2cncc([C@H]3CCC[N@@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378713	176385594	/nfs/dbraw/zinc/38/55/94/176385594.db2.gz	DLQYQLDRWJURFP-MRXNPFEDSA-N	2	2	297.406	3.132	40	0		CGABLP
c1cn(-c2cncc([C@H]3CCC[N@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378713	176385595	/nfs/dbraw/zinc/38/55/95/176385595.db2.gz	DLQYQLDRWJURFP-MRXNPFEDSA-N	2	2	297.406	3.132	40	0		CGABLP
C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1	ZINC000040671679	344965270	/nfs/dbraw/zinc/96/52/70/344965270.db2.gz	NCYDEWLHSTYCSD-LLVKDONJSA-N	2	2	273.207	3.177	40	0		CGABLP
C[N@H+]1CCC[C@@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1	ZINC000040671679	344965274	/nfs/dbraw/zinc/96/52/74/344965274.db2.gz	NCYDEWLHSTYCSD-LLVKDONJSA-N	2	2	273.207	3.177	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@@H+](C3CCCCC3)C2)[nH+]1	ZINC000257234002	190017160	/nfs/dbraw/zinc/01/71/60/190017160.db2.gz	GRQWRQPQMGQIPS-CQSZACIVSA-N	2	2	261.413	3.241	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@H+](C3CCCCC3)C2)[nH+]1	ZINC000257234002	190017161	/nfs/dbraw/zinc/01/71/61/190017161.db2.gz	GRQWRQPQMGQIPS-CQSZACIVSA-N	2	2	261.413	3.241	40	0		CGABLP
C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1	ZINC000072341602	176371462	/nfs/dbraw/zinc/37/14/62/176371462.db2.gz	MGDXGLUHKKGPKT-HKUYNNGSSA-N	2	2	298.405	3.403	40	0		CGABLP
C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1	ZINC000072341602	176371463	/nfs/dbraw/zinc/37/14/63/176371463.db2.gz	MGDXGLUHKKGPKT-HKUYNNGSSA-N	2	2	298.405	3.403	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C)n1	ZINC000072379097	176385486	/nfs/dbraw/zinc/38/54/86/176385486.db2.gz	ADGHBWSYUQICKE-AWEZNQCLSA-N	2	2	270.380	3.157	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C)n1	ZINC000072379097	176385488	/nfs/dbraw/zinc/38/54/88/176385488.db2.gz	ADGHBWSYUQICKE-AWEZNQCLSA-N	2	2	270.380	3.157	40	0		CGABLP
c1ccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)cc1	ZINC000062718631	369630191	/nfs/dbraw/zinc/63/01/91/369630191.db2.gz	HMOCBYANUIPIEA-UHFFFAOYSA-N	2	2	265.360	3.285	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3sccc3C)C2)[nH+]1	ZINC000257199778	190010606	/nfs/dbraw/zinc/01/06/06/190010606.db2.gz	AAUCCQACEDNEHL-CYBMUJFWSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3sccc3C)C2)[nH+]1	ZINC000257199778	190010607	/nfs/dbraw/zinc/01/06/07/190010607.db2.gz	AAUCCQACEDNEHL-CYBMUJFWSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257298618	190029120	/nfs/dbraw/zinc/02/91/20/190029120.db2.gz	RMNFMXJPZLENLZ-INIZCTEOSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257298618	190029121	/nfs/dbraw/zinc/02/91/21/190029121.db2.gz	RMNFMXJPZLENLZ-INIZCTEOSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257323932	190034369	/nfs/dbraw/zinc/03/43/69/190034369.db2.gz	WMLWIFSFKIESML-MRXNPFEDSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257323932	190034370	/nfs/dbraw/zinc/03/43/70/190034370.db2.gz	WMLWIFSFKIESML-MRXNPFEDSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1cc(NCC[NH3+])c2ccc(Cl)c(Cl)c2[nH+]1	ZINC000222688981	230398365	/nfs/dbraw/zinc/39/83/65/230398365.db2.gz	NFJMYVMORFBRCI-UHFFFAOYSA-N	2	2	270.163	3.221	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1ccnc([C@@H]2CCC[N@H+](C)C2)c1	ZINC000257293099	190028377	/nfs/dbraw/zinc/02/83/77/190028377.db2.gz	QOCNTJMKSXSVGV-CQSZACIVSA-N	2	2	284.407	3.200	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1ccnc([C@@H]2CCC[N@@H+](C)C2)c1	ZINC000257293099	190028378	/nfs/dbraw/zinc/02/83/78/190028378.db2.gz	QOCNTJMKSXSVGV-CQSZACIVSA-N	2	2	284.407	3.200	40	0		CGABLP
Cc1ccc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000096184673	370206563	/nfs/dbraw/zinc/20/65/63/370206563.db2.gz	VLWWFIYDAHQFPC-SJORKVTESA-N	2	2	297.402	3.145	40	0		CGABLP
Cc1ccc(C[N@H+]2CC[C@H]3[C@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000096184673	370206572	/nfs/dbraw/zinc/20/65/72/370206572.db2.gz	VLWWFIYDAHQFPC-SJORKVTESA-N	2	2	297.402	3.145	40	0		CGABLP
[NH3+]CCCNc1cc[nH+]c2cc(Cl)cc(Cl)c12	ZINC000222680862	376240916	/nfs/dbraw/zinc/24/09/16/376240916.db2.gz	XNZKVFYJLATSEW-UHFFFAOYSA-N	2	2	270.163	3.302	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257330722	377795210	/nfs/dbraw/zinc/79/52/10/377795210.db2.gz	XPPWJNYWVFTHQZ-CYBMUJFWSA-N	2	2	261.394	3.159	40	0		CGABLP
C[NH+](C)CCC[NH2+]Cc1ccccc1OCc1ccccc1	ZINC000008373915	170333240	/nfs/dbraw/zinc/33/32/40/170333240.db2.gz	RVGKYFRQXLPKSB-UHFFFAOYSA-N	2	2	298.430	3.307	40	0		CGABLP
C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccccc2F)o1	ZINC000008373884	170333366	/nfs/dbraw/zinc/33/33/66/170333366.db2.gz	TTYUUQFSDGYPRH-UHFFFAOYSA-N	2	2	276.355	3.127	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000072355681	176374718	/nfs/dbraw/zinc/37/47/18/176374718.db2.gz	IHTGEFZCTQGWLD-HNNXBMFYSA-N	2	2	298.434	3.418	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+](C(C)C)C2)n1	ZINC000072355681	176374720	/nfs/dbraw/zinc/37/47/20/176374720.db2.gz	IHTGEFZCTQGWLD-HNNXBMFYSA-N	2	2	298.434	3.418	40	0		CGABLP
CCc1[nH]c(C[N@@H+]2CCC[C@H]2c2ccnc(NC)c2)c(C)[nH+]1	ZINC000257243932	190018203	/nfs/dbraw/zinc/01/82/03/190018203.db2.gz	IJDUMFIOLABSPW-HNNXBMFYSA-N	2	2	299.422	3.054	40	0		CGABLP
CCc1[nH]c(C[N@H+]2CCC[C@H]2c2ccnc(NC)c2)c(C)[nH+]1	ZINC000257243932	190018204	/nfs/dbraw/zinc/01/82/04/190018204.db2.gz	IJDUMFIOLABSPW-HNNXBMFYSA-N	2	2	299.422	3.054	40	0		CGABLP
CC[NH+](CC)[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424727	391980105	/nfs/dbraw/zinc/98/01/05/391980105.db2.gz	FCCCJDOXKLNBGS-GFCCVEGCSA-N	2	2	261.196	3.335	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2cncs2)cc[nH+]1	ZINC000257217354	190014044	/nfs/dbraw/zinc/01/40/44/190014044.db2.gz	CYPDQJUZGJJDOM-HNNXBMFYSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2cncs2)cc[nH+]1	ZINC000257217354	190014045	/nfs/dbraw/zinc/01/40/45/190014045.db2.gz	CYPDQJUZGJJDOM-HNNXBMFYSA-N	2	2	287.432	3.444	40	0		CGABLP
CC(C)[N@@H+]1CCC[C@H](c2cccc(-c3c[nH+]cn3C)n2)C1	ZINC000257326007	190034064	/nfs/dbraw/zinc/03/40/64/190034064.db2.gz	WVJOIDWDZSEMHB-AWEZNQCLSA-N	2	2	284.407	3.070	40	0		CGABLP
CC(C)[N@H+]1CCC[C@H](c2cccc(-c3c[nH+]cn3C)n2)C1	ZINC000257326007	190034065	/nfs/dbraw/zinc/03/40/65/190034065.db2.gz	WVJOIDWDZSEMHB-AWEZNQCLSA-N	2	2	284.407	3.070	40	0		CGABLP
CC(C)n1c2cc(Cl)ccc2[nH+]c1CCC[NH3+]	ZINC000040417430	273574215	/nfs/dbraw/zinc/57/42/15/273574215.db2.gz	NYYCKDBMRGGCAZ-UHFFFAOYSA-N	2	2	251.761	3.162	40	0		CGABLP
CCOc1ccccc1C[N@@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1	ZINC000257265322	190023427	/nfs/dbraw/zinc/02/34/27/190023427.db2.gz	LYEVDSRERUVALA-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
CCOc1ccccc1C[N@H+]1CC[C@@H](c2[nH]cc(C)[nH+]2)C1	ZINC000257265322	190023428	/nfs/dbraw/zinc/02/34/28/190023428.db2.gz	LYEVDSRERUVALA-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
Cc1c(C[N@@H+]2CCC[C@H]2CCc2cc[nH+]c(C)c2)cnn1C	ZINC000257331245	190035508	/nfs/dbraw/zinc/03/55/08/190035508.db2.gz	XRYPGPNFIASCJR-SFHVURJKSA-N	2	2	298.434	3.029	40	0		CGABLP
Cc1c(C[N@H+]2CCC[C@H]2CCc2cc[nH+]c(C)c2)cnn1C	ZINC000257331245	190035509	/nfs/dbraw/zinc/03/55/09/190035509.db2.gz	XRYPGPNFIASCJR-SFHVURJKSA-N	2	2	298.434	3.029	40	0		CGABLP
CCC[C@H]([NH3+])C[N@H+](Cc1ccco1)C1CCCC1	ZINC000096523973	392257707	/nfs/dbraw/zinc/25/77/07/392257707.db2.gz	MTZAMMGGESGAKY-ZDUSSCGKSA-N	2	2	250.386	3.152	40	0		CGABLP
CCC[C@H]([NH3+])C[N@@H+](Cc1ccco1)C1CCCC1	ZINC000096523973	392257710	/nfs/dbraw/zinc/25/77/10/392257710.db2.gz	MTZAMMGGESGAKY-ZDUSSCGKSA-N	2	2	250.386	3.152	40	0		CGABLP
C[N@H+](Cc1nc2cc(Cl)ccc2s1)C1CC[NH2+]CC1	ZINC000096510473	392257871	/nfs/dbraw/zinc/25/78/71/392257871.db2.gz	KBCFKSYDVXZGIT-UHFFFAOYSA-N	2	2	295.839	3.134	40	0		CGABLP
C[N@@H+](Cc1nc2cc(Cl)ccc2s1)C1CC[NH2+]CC1	ZINC000096510473	392257872	/nfs/dbraw/zinc/25/78/72/392257872.db2.gz	KBCFKSYDVXZGIT-UHFFFAOYSA-N	2	2	295.839	3.134	40	0		CGABLP
[NH3+]CCCNc1cc[nH+]c2c(Cl)c(Cl)ccc12	ZINC000222680341	327935058	/nfs/dbraw/zinc/93/50/58/327935058.db2.gz	RSRIVRLRMIXELB-UHFFFAOYSA-N	2	2	270.163	3.302	40	0		CGABLP
CC[NH+](CC)[C@H](C[NH3+])c1c(OC)ccc2ccccc21	ZINC000032048926	368923785	/nfs/dbraw/zinc/92/37/85/368923785.db2.gz	JPFBOHIEDJVHJK-OAHLLOKOSA-N	2	2	272.392	3.190	40	0		CGABLP
CC[NH+](CC)CCC[NH2+]Cc1cc(C2CC2)nn1C(C)C	ZINC000256053221	190004483	/nfs/dbraw/zinc/00/44/83/190004483.db2.gz	QNXZOTMOLCJVIH-UHFFFAOYSA-N	2	2	292.471	3.163	40	0		CGABLP
c1cn2c(cccc2C2CC[NH+](Cc3cscn3)CC2)[nH+]1	ZINC000257240170	275072992	/nfs/dbraw/zinc/07/29/92/275072992.db2.gz	HSJUOMSHPRULTQ-UHFFFAOYSA-N	2	2	298.415	3.170	40	0		CGABLP
Cc1cc(NCC[NH3+])c2cc(Cl)cc(Cl)c2[nH+]1	ZINC000222689241	230398328	/nfs/dbraw/zinc/39/83/28/230398328.db2.gz	BPUCAWUDWNVESZ-UHFFFAOYSA-N	2	2	270.163	3.221	40	0		CGABLP
c1cc([C@H]2CCC[NH2+]C2)cc(NC2CCCCC2)[nH+]1	ZINC000257313678	190031715	/nfs/dbraw/zinc/03/17/15/190031715.db2.gz	UTPKMLVDJUKYGZ-AWEZNQCLSA-N	2	2	259.397	3.293	40	0		CGABLP
Cc1cc(CC2CC[NH+](Cc3cccnc3)CC2)cc[nH+]1	ZINC000257328156	190035212	/nfs/dbraw/zinc/03/52/12/190035212.db2.gz	XEKPNKDCJOKSFF-UHFFFAOYSA-N	2	2	281.403	3.240	40	0		CGABLP
C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1	ZINC000040671678	344964860	/nfs/dbraw/zinc/96/48/60/344964860.db2.gz	NCYDEWLHSTYCSD-NSHDSACASA-N	2	2	273.207	3.177	40	0		CGABLP
C[N@H+]1CCC[C@H]([NH2+]Cc2ccc(Cl)c(Cl)c2)C1	ZINC000040671678	344964861	/nfs/dbraw/zinc/96/48/61/344964861.db2.gz	NCYDEWLHSTYCSD-NSHDSACASA-N	2	2	273.207	3.177	40	0		CGABLP
Cc1c(C[N@@H+]2CCC[C@@H]2CCc2cc[nH+]c(C)c2)cnn1C	ZINC000257331244	190035388	/nfs/dbraw/zinc/03/53/88/190035388.db2.gz	XRYPGPNFIASCJR-GOSISDBHSA-N	2	2	298.434	3.029	40	0		CGABLP
Cc1c(C[N@H+]2CCC[C@@H]2CCc2cc[nH+]c(C)c2)cnn1C	ZINC000257331244	190035389	/nfs/dbraw/zinc/03/53/89/190035389.db2.gz	XRYPGPNFIASCJR-GOSISDBHSA-N	2	2	298.434	3.029	40	0		CGABLP
COc1cccc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1	ZINC000257331531	190035825	/nfs/dbraw/zinc/03/58/25/190035825.db2.gz	XTGSHSGLMCFGEM-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
COc1cccc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)c1	ZINC000257331531	190035826	/nfs/dbraw/zinc/03/58/26/190035826.db2.gz	XTGSHSGLMCFGEM-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C)n1	ZINC000072379098	176385878	/nfs/dbraw/zinc/38/58/78/176385878.db2.gz	ADGHBWSYUQICKE-CQSZACIVSA-N	2	2	270.380	3.157	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C)n1	ZINC000072379098	176385879	/nfs/dbraw/zinc/38/58/79/176385879.db2.gz	ADGHBWSYUQICKE-CQSZACIVSA-N	2	2	270.380	3.157	40	0		CGABLP
c1ccc2c(C[N@@H+]3CC[C@@H]4[NH2+]CCCCC[C@H]43)ccnc2c1	ZINC000019712175	344890756	/nfs/dbraw/zinc/89/07/56/344890756.db2.gz	UGEPAGORHOYCLF-RBUKOAKNSA-N	2	2	295.430	3.341	40	0		CGABLP
c1ccc2c(C[N@H+]3CC[C@@H]4[NH2+]CCCCC[C@H]43)ccnc2c1	ZINC000019712175	344890761	/nfs/dbraw/zinc/89/07/61/344890761.db2.gz	UGEPAGORHOYCLF-RBUKOAKNSA-N	2	2	295.430	3.341	40	0		CGABLP
c1cn(-c2nccnc2[C@@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1	ZINC000072359233	369816694	/nfs/dbraw/zinc/81/66/94/369816694.db2.gz	USXZTTZJBNDFKN-HNNXBMFYSA-N	2	2	297.406	3.132	40	0		CGABLP
c1cn(-c2nccnc2[C@@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1	ZINC000072359233	369816701	/nfs/dbraw/zinc/81/67/01/369816701.db2.gz	USXZTTZJBNDFKN-HNNXBMFYSA-N	2	2	297.406	3.132	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000022172214	287359429	/nfs/dbraw/zinc/35/94/29/287359429.db2.gz	XRGUJSFMOCLWLG-RISCZKNCSA-N	2	2	286.341	3.437	40	0		CGABLP
C[C@@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000022172214	287359431	/nfs/dbraw/zinc/35/94/31/287359431.db2.gz	XRGUJSFMOCLWLG-RISCZKNCSA-N	2	2	286.341	3.437	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000108349974	345937590	/nfs/dbraw/zinc/93/75/90/345937590.db2.gz	XRGUJSFMOCLWLG-SMDDNHRTSA-N	2	2	286.341	3.437	40	0		CGABLP
C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000108349974	345937594	/nfs/dbraw/zinc/93/75/94/345937594.db2.gz	XRGUJSFMOCLWLG-SMDDNHRTSA-N	2	2	286.341	3.437	40	0		CGABLP
c1cc(C[N@@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)co1	ZINC000096216629	370208887	/nfs/dbraw/zinc/20/88/87/370208887.db2.gz	ZXEMTJHLKFXPOH-SFHVURJKSA-N	2	2	297.402	3.167	40	0		CGABLP
c1cc(C[N@H+]2CC[C@]3(C2)CCCN(c2cccc[nH+]2)C3)co1	ZINC000096216629	370208892	/nfs/dbraw/zinc/20/88/92/370208892.db2.gz	ZXEMTJHLKFXPOH-SFHVURJKSA-N	2	2	297.402	3.167	40	0		CGABLP
Cc1cc(F)c(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1	ZINC000334566872	374867415	/nfs/dbraw/zinc/86/74/15/374867415.db2.gz	QYNRAAYMAMISIJ-LLVKDONJSA-N	2	2	293.773	3.089	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2nccs2)cc[nH+]1	ZINC000257210170	190012519	/nfs/dbraw/zinc/01/25/19/190012519.db2.gz	BTNKOXOIYHYUDG-HNNXBMFYSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2nccs2)cc[nH+]1	ZINC000257210170	190012520	/nfs/dbraw/zinc/01/25/20/190012520.db2.gz	BTNKOXOIYHYUDG-HNNXBMFYSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH+]1	ZINC000585181422	346725697	/nfs/dbraw/zinc/72/56/97/346725697.db2.gz	DQXCGGHHHOBFNX-HNNXBMFYSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH+]1	ZINC000585181422	346725699	/nfs/dbraw/zinc/72/56/99/346725699.db2.gz	DQXCGGHHHOBFNX-HNNXBMFYSA-N	2	2	280.375	3.189	40	0		CGABLP
Clc1cccc2c(N3CC[C@]4(CC[NH2+]C4)C3)cc[nH+]c12	ZINC000334990119	375055871	/nfs/dbraw/zinc/05/58/71/375055871.db2.gz	MVBAZIPMJANDLZ-INIZCTEOSA-N	2	2	287.794	3.078	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257245999	190019108	/nfs/dbraw/zinc/01/91/08/190019108.db2.gz	ISAFHLLNQZGDKX-QGZVFWFLSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257245999	190019109	/nfs/dbraw/zinc/01/91/09/190019109.db2.gz	ISAFHLLNQZGDKX-QGZVFWFLSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)[nH+]1	ZINC000257288957	190027518	/nfs/dbraw/zinc/02/75/18/190027518.db2.gz	PWKPWUJUQXHBHR-CYBMUJFWSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc(C)s3)C2)[nH+]1	ZINC000257288957	190027519	/nfs/dbraw/zinc/02/75/19/190027519.db2.gz	PWKPWUJUQXHBHR-CYBMUJFWSA-N	2	2	275.421	3.088	40	0		CGABLP
CCn1c2ccc(Cl)cc2[nH+]c1CCCCC[NH3+]	ZINC000037440342	173210124	/nfs/dbraw/zinc/21/01/24/173210124.db2.gz	UIQOFVHCTLZFCE-UHFFFAOYSA-N	2	2	265.788	3.381	40	0		CGABLP
CC(C)[N@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1	ZINC000042428487	369221522	/nfs/dbraw/zinc/22/15/22/369221522.db2.gz	AONVJFRTVHDRLR-UHFFFAOYSA-N	2	2	261.196	3.163	40	0		CGABLP
CC(C)[N@@H+](CC[NH3+])Cc1ccc(Cl)c(Cl)c1	ZINC000042428487	369221525	/nfs/dbraw/zinc/22/15/25/369221525.db2.gz	AONVJFRTVHDRLR-UHFFFAOYSA-N	2	2	261.196	3.163	40	0		CGABLP
CC(C)c1[nH+]c2ccccc2n1C[C@H]1CCC[NH2+]C1	ZINC000057865707	369547906	/nfs/dbraw/zinc/54/79/06/369547906.db2.gz	LAGSQRQTNCLSRH-ZDUSSCGKSA-N	2	2	257.381	3.159	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+]2C(C)C)n1	ZINC000072355676	369817176	/nfs/dbraw/zinc/81/71/76/369817176.db2.gz	QXYZSGSPJSLMSF-HNNXBMFYSA-N	2	2	284.407	3.375	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+]2C(C)C)n1	ZINC000072355676	369817183	/nfs/dbraw/zinc/81/71/83/369817183.db2.gz	QXYZSGSPJSLMSF-HNNXBMFYSA-N	2	2	284.407	3.375	40	0		CGABLP
[NH3+]C1(C[N@@H+]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1	ZINC000242750476	256698188	/nfs/dbraw/zinc/69/81/88/256698188.db2.gz	ZOFPTYINVTXSPG-GJZGRUSLSA-N	2	2	250.430	3.160	40	0		CGABLP
[NH3+]C1(C[N@H+]2CC[C@@H]3CCCC[C@H]3C2)CCCCC1	ZINC000242750476	256698189	/nfs/dbraw/zinc/69/81/89/256698189.db2.gz	ZOFPTYINVTXSPG-GJZGRUSLSA-N	2	2	250.430	3.160	40	0		CGABLP
CC(C)C[N@@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1	ZINC000096215270	392246945	/nfs/dbraw/zinc/24/69/45/392246945.db2.gz	PRZFXCNAKBRMPP-KRWDZBQOSA-N	2	2	273.424	3.030	40	0		CGABLP
CC(C)C[N@H+]1CCC[C@]2(CCN(c3cccc[nH+]3)C2)C1	ZINC000096215270	392246947	/nfs/dbraw/zinc/24/69/47/392246947.db2.gz	PRZFXCNAKBRMPP-KRWDZBQOSA-N	2	2	273.424	3.030	40	0		CGABLP
CC1CC[NH+]([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)CC1	ZINC000095532278	276199352	/nfs/dbraw/zinc/19/93/52/276199352.db2.gz	ZGXAPCFMMRTKNV-CQSZACIVSA-N	2	2	286.341	3.437	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2nccs2)cc[nH+]1	ZINC000257210171	190012398	/nfs/dbraw/zinc/01/23/98/190012398.db2.gz	BTNKOXOIYHYUDG-OAHLLOKOSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@H+]2Cc2nccs2)cc[nH+]1	ZINC000257210171	190012399	/nfs/dbraw/zinc/01/23/99/190012399.db2.gz	BTNKOXOIYHYUDG-OAHLLOKOSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257293207	190028599	/nfs/dbraw/zinc/02/85/99/190028599.db2.gz	QOOCJXAJCUQIQV-CYBMUJFWSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3c[nH]c4ccccc34)C2)[nH+]1	ZINC000257293207	190028600	/nfs/dbraw/zinc/02/86/00/190028600.db2.gz	QOOCJXAJCUQIQV-CYBMUJFWSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1cccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1	ZINC000005066048	170063007	/nfs/dbraw/zinc/06/30/07/170063007.db2.gz	YEMUBAQBXKWJSW-UHFFFAOYSA-N	2	2	295.430	3.144	40	0		CGABLP
CCOc1c(Cl)cc(Cl)cc1C[NH2+]CCC[NH2+]C	ZINC000008253416	170327047	/nfs/dbraw/zinc/32/70/47/170327047.db2.gz	YYIXNRMDSGPHAM-UHFFFAOYSA-N	2	2	291.222	3.091	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1	ZINC000257200966	190010633	/nfs/dbraw/zinc/01/06/33/190010633.db2.gz	AFNZXEDPAGBDKG-CQSZACIVSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1	ZINC000257200966	190010634	/nfs/dbraw/zinc/01/06/34/190010634.db2.gz	AFNZXEDPAGBDKG-CQSZACIVSA-N	2	2	280.375	3.189	40	0		CGABLP
CC(C)[NH2+][C@@H]1CC[N@H+](C)Cc2ccc(Cl)cc21	ZINC000096510454	392257478	/nfs/dbraw/zinc/25/74/78/392257478.db2.gz	MTNYLGNORUWNLE-CQSZACIVSA-N	2	2	252.789	3.215	40	0		CGABLP
CC(C)[NH2+][C@@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21	ZINC000096510454	392257482	/nfs/dbraw/zinc/25/74/82/392257482.db2.gz	MTNYLGNORUWNLE-CQSZACIVSA-N	2	2	252.789	3.215	40	0		CGABLP
CCC[C@@H]([NH3+])C[N@H+](Cc1ccco1)C1CCCC1	ZINC000096523974	392257811	/nfs/dbraw/zinc/25/78/11/392257811.db2.gz	MTZAMMGGESGAKY-CYBMUJFWSA-N	2	2	250.386	3.152	40	0		CGABLP
CCC[C@@H]([NH3+])C[N@@H+](Cc1ccco1)C1CCCC1	ZINC000096523974	392257815	/nfs/dbraw/zinc/25/78/15/392257815.db2.gz	MTZAMMGGESGAKY-CYBMUJFWSA-N	2	2	250.386	3.152	40	0		CGABLP
Cc1cc(N(C)C)cc([C@H]2CCC[N@@H+]2Cc2ccncc2)[nH+]1	ZINC000072363804	176378247	/nfs/dbraw/zinc/37/82/47/176378247.db2.gz	WTKRAFHBSYCESU-GOSISDBHSA-N	2	2	296.418	3.188	40	0		CGABLP
Cc1cc(N(C)C)cc([C@H]2CCC[N@H+]2Cc2ccncc2)[nH+]1	ZINC000072363804	176378250	/nfs/dbraw/zinc/37/82/50/176378250.db2.gz	WTKRAFHBSYCESU-GOSISDBHSA-N	2	2	296.418	3.188	40	0		CGABLP
C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000023480220	275393437	/nfs/dbraw/zinc/39/34/37/275393437.db2.gz	QHYOXODERCRGTD-TVFCKZIOSA-N	2	2	276.468	3.230	40	0		CGABLP
C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@H]2CCCC[C@@H]2C1	ZINC000023480220	275393438	/nfs/dbraw/zinc/39/34/38/275393438.db2.gz	QHYOXODERCRGTD-TVFCKZIOSA-N	2	2	276.468	3.230	40	0		CGABLP
Cc1ccc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)o1	ZINC000096049297	185072327	/nfs/dbraw/zinc/07/23/27/185072327.db2.gz	FGZMUAVSNPCWAA-UHFFFAOYSA-N	2	2	288.435	3.428	40	0		CGABLP
Cc1ccc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)o1	ZINC000096049297	185072328	/nfs/dbraw/zinc/07/23/28/185072328.db2.gz	FGZMUAVSNPCWAA-UHFFFAOYSA-N	2	2	288.435	3.428	40	0		CGABLP
[NH3+]C[C@@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1	ZINC000095532266	370201647	/nfs/dbraw/zinc/20/16/47/370201647.db2.gz	XHNASWXECKUESZ-ZDUSSCGKSA-N	2	2	272.314	3.191	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@H+](Cc3sccc3C)C2)[nH+]1	ZINC000257199779	190010870	/nfs/dbraw/zinc/01/08/70/190010870.db2.gz	AAUCCQACEDNEHL-ZDUSSCGKSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@@H+](Cc3sccc3C)C2)[nH+]1	ZINC000257199779	190010871	/nfs/dbraw/zinc/01/08/71/190010871.db2.gz	AAUCCQACEDNEHL-ZDUSSCGKSA-N	2	2	275.421	3.088	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257323931	190034274	/nfs/dbraw/zinc/03/42/74/190034274.db2.gz	WMLWIFSFKIESML-INIZCTEOSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257323931	190034275	/nfs/dbraw/zinc/03/42/75/190034275.db2.gz	WMLWIFSFKIESML-INIZCTEOSA-N	2	2	269.392	3.140	40	0		CGABLP
CCC[N@H+](Cc1ccco1)CC1([NH3+])CCCCC1	ZINC000096523882	392257734	/nfs/dbraw/zinc/25/77/34/392257734.db2.gz	OMAVWLWZWJFDHF-UHFFFAOYSA-N	2	2	250.386	3.153	40	0		CGABLP
CCC[N@@H+](Cc1ccco1)CC1([NH3+])CCCCC1	ZINC000096523882	392257737	/nfs/dbraw/zinc/25/77/37/392257737.db2.gz	OMAVWLWZWJFDHF-UHFFFAOYSA-N	2	2	250.386	3.153	40	0		CGABLP
Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1	ZINC000072378705	279169608	/nfs/dbraw/zinc/16/96/08/279169608.db2.gz	KAXRFDOJEKOYQR-INIZCTEOSA-N	2	2	297.406	3.050	40	0		CGABLP
Cc1[nH+]ccn1-c1cncc([C@@H]2CCC[N@H+]2C2CCCC2)n1	ZINC000072378705	279169613	/nfs/dbraw/zinc/16/96/13/279169613.db2.gz	KAXRFDOJEKOYQR-INIZCTEOSA-N	2	2	297.406	3.050	40	0		CGABLP
CC[NH+](CC)CCCNc1ccc2cc[nH+]cc2c1	ZINC000001683219	368431596	/nfs/dbraw/zinc/43/15/96/368431596.db2.gz	XOFAWGMKCAKSHU-UHFFFAOYSA-N	2	2	257.381	3.379	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257272803	190024734	/nfs/dbraw/zinc/02/47/34/190024734.db2.gz	NDYDFUXKOIRVGV-CQSZACIVSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257272803	190024735	/nfs/dbraw/zinc/02/47/35/190024735.db2.gz	NDYDFUXKOIRVGV-CQSZACIVSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1cc(N(C)C)cc([C@@H]2CCC[N@@H+]2Cc2ccncc2)[nH+]1	ZINC000072363803	176378107	/nfs/dbraw/zinc/37/81/07/176378107.db2.gz	WTKRAFHBSYCESU-SFHVURJKSA-N	2	2	296.418	3.188	40	0		CGABLP
Cc1cc(N(C)C)cc([C@@H]2CCC[N@H+]2Cc2ccncc2)[nH+]1	ZINC000072363803	176378109	/nfs/dbraw/zinc/37/81/09/176378109.db2.gz	WTKRAFHBSYCESU-SFHVURJKSA-N	2	2	296.418	3.188	40	0		CGABLP
Clc1ccc([C@H]2[NH2+]CC[NH2+]Cc3ccccc32)cc1	ZINC000019368904	368750351	/nfs/dbraw/zinc/75/03/51/368750351.db2.gz	BIRFBGKBJMZZJI-MRXNPFEDSA-N	2	2	272.779	3.122	40	0		CGABLP
CCc1[nH]c(C[N@@H+]2CCC[C@@H](Cc3cccnc3)C2)c(C)[nH+]1	ZINC000257235122	190017202	/nfs/dbraw/zinc/01/72/02/190017202.db2.gz	GWODMVLEMCRDRM-INIZCTEOSA-N	2	2	298.434	3.130	40	0		CGABLP
CCc1[nH]c(C[N@H+]2CCC[C@@H](Cc3cccnc3)C2)c(C)[nH+]1	ZINC000257235122	190017203	/nfs/dbraw/zinc/01/72/03/190017203.db2.gz	GWODMVLEMCRDRM-INIZCTEOSA-N	2	2	298.434	3.130	40	0		CGABLP
c1cn2c(cccc2[C@H]2CCC[N@H+]2Cc2cccnc2)[nH+]1	ZINC000257332416	190035811	/nfs/dbraw/zinc/03/58/11/190035811.db2.gz	XXGIMBMTOMHWAF-OAHLLOKOSA-N	2	2	278.359	3.066	40	0		CGABLP
c1cn2c(cccc2[C@H]2CCC[N@@H+]2Cc2cccnc2)[nH+]1	ZINC000257332416	190035812	/nfs/dbraw/zinc/03/58/12/190035812.db2.gz	XXGIMBMTOMHWAF-OAHLLOKOSA-N	2	2	278.359	3.066	40	0		CGABLP
CCCC[N@@H+](Cc1ccco1)C[C@@H]1CCCC[NH2+]1	ZINC000096523993	392257849	/nfs/dbraw/zinc/25/78/49/392257849.db2.gz	OSUHAKDLYKKDSX-AWEZNQCLSA-N	2	2	250.386	3.024	40	0		CGABLP
CCCC[N@H+](Cc1ccco1)C[C@@H]1CCCC[NH2+]1	ZINC000096523993	392257852	/nfs/dbraw/zinc/25/78/52/392257852.db2.gz	OSUHAKDLYKKDSX-AWEZNQCLSA-N	2	2	250.386	3.024	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257286627	190027152	/nfs/dbraw/zinc/02/71/52/190027152.db2.gz	PMHJJTNEXQRKNC-QGZVFWFLSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257286627	190027153	/nfs/dbraw/zinc/02/71/53/190027153.db2.gz	PMHJJTNEXQRKNC-QGZVFWFLSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1	ZINC000257337145	190036681	/nfs/dbraw/zinc/03/66/81/190036681.db2.gz	YROUITNGNHPCEV-GFCCVEGCSA-N	2	2	261.394	3.159	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1	ZINC000257337145	190036682	/nfs/dbraw/zinc/03/66/82/190036682.db2.gz	YROUITNGNHPCEV-GFCCVEGCSA-N	2	2	261.394	3.159	40	0		CGABLP
c1cn(-c2cccc([C@@H]3CCC[N@H+]3C3CCCC3)n2)c[nH+]1	ZINC000072355517	176374760	/nfs/dbraw/zinc/37/47/60/176374760.db2.gz	DVEOHQCMAZLYHO-INIZCTEOSA-N	2	2	282.391	3.347	40	0		CGABLP
c1cn(-c2cccc([C@@H]3CCC[N@@H+]3C3CCCC3)n2)c[nH+]1	ZINC000072355517	176374761	/nfs/dbraw/zinc/37/47/61/176374761.db2.gz	DVEOHQCMAZLYHO-INIZCTEOSA-N	2	2	282.391	3.347	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@H+](Cc3ccc4[nH]ccc4c3)C2)[nH+]1	ZINC000585181423	346725911	/nfs/dbraw/zinc/72/59/11/346725911.db2.gz	DQXCGGHHHOBFNX-OAHLLOKOSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)[nH+]1	ZINC000585181423	346725914	/nfs/dbraw/zinc/72/59/14/346725914.db2.gz	DQXCGGHHHOBFNX-OAHLLOKOSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1	ZINC000257266614	190023457	/nfs/dbraw/zinc/02/34/57/190023457.db2.gz	MDSGOVNPTILQDC-ZDUSSCGKSA-N	2	2	291.345	3.376	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1	ZINC000257266614	190023458	/nfs/dbraw/zinc/02/34/58/190023458.db2.gz	MDSGOVNPTILQDC-ZDUSSCGKSA-N	2	2	291.345	3.376	40	0		CGABLP
[NH3+]C[C@H](c1ccc(OCc2ccccc2)cc1)[NH+]1CCCC1	ZINC000039789199	174173734	/nfs/dbraw/zinc/17/37/34/174173734.db2.gz	SAHMBTSGZRHQJZ-LJQANCHMSA-N	2	2	296.414	3.361	40	0		CGABLP
C[NH+](C)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1	ZINC000071711603	369808260	/nfs/dbraw/zinc/80/82/60/369808260.db2.gz	MNZZYCKLGBUZEF-UHFFFAOYSA-N	2	2	295.430	3.075	40	0		CGABLP
COc1cccc2c1[nH+]cc(C)c2N1CCC([NH+](C)C)CC1	ZINC000302632144	373910966	/nfs/dbraw/zinc/91/09/66/373910966.db2.gz	JLYAEMKSHZUSEE-UHFFFAOYSA-N	2	2	299.418	3.082	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1ccnc([C@H]2CCC[N@H+](C)C2)c1	ZINC000257293098	190028822	/nfs/dbraw/zinc/02/88/22/190028822.db2.gz	QOCNTJMKSXSVGV-AWEZNQCLSA-N	2	2	284.407	3.200	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1ccnc([C@H]2CCC[N@@H+](C)C2)c1	ZINC000257293098	190028823	/nfs/dbraw/zinc/02/88/23/190028823.db2.gz	QOCNTJMKSXSVGV-AWEZNQCLSA-N	2	2	284.407	3.200	40	0		CGABLP
[NH3+]C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1	ZINC000095098744	370176411	/nfs/dbraw/zinc/17/64/11/370176411.db2.gz	LLMTVCXUFHAIAK-CYBMUJFWSA-N	2	2	288.313	3.071	40	0		CGABLP
C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)cc1)C2	ZINC000096268548	370208361	/nfs/dbraw/zinc/20/83/61/370208361.db2.gz	HAIFWKXAQYYLJL-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(Cl)cc1)C2	ZINC000096268548	370208366	/nfs/dbraw/zinc/20/83/66/370208366.db2.gz	HAIFWKXAQYYLJL-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1)C2	ZINC000096268548	370208371	/nfs/dbraw/zinc/20/83/71/370208371.db2.gz	HAIFWKXAQYYLJL-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1)C2	ZINC000096268548	370208375	/nfs/dbraw/zinc/20/83/75/370208375.db2.gz	HAIFWKXAQYYLJL-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
CCc1[nH]c(C[N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)c(C)[nH+]1	ZINC000257243933	190018531	/nfs/dbraw/zinc/01/85/31/190018531.db2.gz	IJDUMFIOLABSPW-OAHLLOKOSA-N	2	2	299.422	3.054	40	0		CGABLP
CCc1[nH]c(C[N@H+]2CCC[C@@H]2c2ccnc(NC)c2)c(C)[nH+]1	ZINC000257243933	190018532	/nfs/dbraw/zinc/01/85/32/190018532.db2.gz	IJDUMFIOLABSPW-OAHLLOKOSA-N	2	2	299.422	3.054	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1	ZINC000257328694	190034513	/nfs/dbraw/zinc/03/45/13/190034513.db2.gz	XGSQBABSSZEUOF-CYBMUJFWSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1cn(C)c([C@@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1	ZINC000257328694	190034514	/nfs/dbraw/zinc/03/45/14/190034514.db2.gz	XGSQBABSSZEUOF-CYBMUJFWSA-N	2	2	275.421	3.170	40	0		CGABLP
CCCC[N@@H+](Cc1ccco1)C[C@H]1CCCC[NH2+]1	ZINC000096523994	392257904	/nfs/dbraw/zinc/25/79/04/392257904.db2.gz	OSUHAKDLYKKDSX-CQSZACIVSA-N	2	2	250.386	3.024	40	0		CGABLP
CCCC[N@H+](Cc1ccco1)C[C@H]1CCCC[NH2+]1	ZINC000096523994	392257906	/nfs/dbraw/zinc/25/79/06/392257906.db2.gz	OSUHAKDLYKKDSX-CQSZACIVSA-N	2	2	250.386	3.024	40	0		CGABLP
C[NH+](C)CCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1	ZINC000008373880	170333483	/nfs/dbraw/zinc/33/34/83/170333483.db2.gz	YRZMPGXMTSSCJK-UHFFFAOYSA-N	2	2	276.355	3.127	40	0		CGABLP
c1cn(CC[NH2+]C(c2ccccc2)c2ccccc2)c[nH+]1	ZINC000022115176	171352815	/nfs/dbraw/zinc/35/28/15/171352815.db2.gz	ZDLDHDBQYBBTEJ-UHFFFAOYSA-N	2	2	277.371	3.262	40	0		CGABLP
C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1	ZINC000072341603	176371683	/nfs/dbraw/zinc/37/16/83/176371683.db2.gz	MGDXGLUHKKGPKT-PKOBYXMFSA-N	2	2	298.405	3.403	40	0		CGABLP
C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@H](c2ccccc2)C1	ZINC000072341603	176371685	/nfs/dbraw/zinc/37/16/85/176371685.db2.gz	MGDXGLUHKKGPKT-PKOBYXMFSA-N	2	2	298.405	3.403	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)n1	ZINC000072355680	176375114	/nfs/dbraw/zinc/37/51/14/176375114.db2.gz	IHTGEFZCTQGWLD-OAHLLOKOSA-N	2	2	298.434	3.418	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@@H]2CCC[N@H+](C(C)C)C2)n1	ZINC000072355680	176375115	/nfs/dbraw/zinc/37/51/15/176375115.db2.gz	IHTGEFZCTQGWLD-OAHLLOKOSA-N	2	2	298.434	3.418	40	0		CGABLP
CCC(C)(C)c1ccc(OCC[N@@H+]2CCC[NH2+]CC2)cc1	ZINC000064875884	369662424	/nfs/dbraw/zinc/66/24/24/369662424.db2.gz	FNWORSALWJSQMG-UHFFFAOYSA-N	2	2	290.451	3.048	40	0		CGABLP
CCC(C)(C)c1ccc(OCC[N@H+]2CCC[NH2+]CC2)cc1	ZINC000064875884	369662428	/nfs/dbraw/zinc/66/24/28/369662428.db2.gz	FNWORSALWJSQMG-UHFFFAOYSA-N	2	2	290.451	3.048	40	0		CGABLP
Cc1cc(N2CC[NH2+]CC2)c2ccc(Cl)c(Cl)c2[nH+]1	ZINC000068136525	392163166	/nfs/dbraw/zinc/16/31/66/392163166.db2.gz	XVYMLQDVNZSALM-UHFFFAOYSA-N	2	2	296.201	3.260	40	0		CGABLP
CC[NH+](CC)[C@@H](C[NH3+])c1c(OC)ccc2ccccc21	ZINC000032048925	276113020	/nfs/dbraw/zinc/11/30/20/276113020.db2.gz	JPFBOHIEDJVHJK-HNNXBMFYSA-N	2	2	272.392	3.190	40	0		CGABLP
CC[NH+](CC)CCCNc1[nH+]ccc2c(OC)cccc21	ZINC000001873631	528114598	/nfs/dbraw/zinc/11/45/98/528114598.db2.gz	UGLCNNNMYULQOR-UHFFFAOYSA-N	2	2	287.407	3.387	40	0		CGABLP
Cc1cc(CC2CC[NH+](Cc3ccccn3)CC2)cc[nH+]1	ZINC000257199752	190010970	/nfs/dbraw/zinc/01/09/70/190010970.db2.gz	AAROFQYNWRTYRZ-UHFFFAOYSA-N	2	2	281.403	3.240	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccccn2)cc[nH+]1	ZINC000257204189	190011303	/nfs/dbraw/zinc/01/13/03/190011303.db2.gz	ATLCTGFJFXGTOW-SFHVURJKSA-N	2	2	281.403	3.382	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccccn2)cc[nH+]1	ZINC000257204189	190011304	/nfs/dbraw/zinc/01/13/04/190011304.db2.gz	ATLCTGFJFXGTOW-SFHVURJKSA-N	2	2	281.403	3.382	40	0		CGABLP
CC[NH+](CC)[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1	ZINC000037424725	391980744	/nfs/dbraw/zinc/98/07/44/391980744.db2.gz	FCCCJDOXKLNBGS-LBPRGKRZSA-N	2	2	261.196	3.335	40	0		CGABLP
CC(C)C[NH2+][C@H]1CC[N@H+](C)Cc2ccc(Cl)cc21	ZINC000096510459	392257760	/nfs/dbraw/zinc/25/77/60/392257760.db2.gz	QPJSORAIVDIMSQ-HNNXBMFYSA-N	2	2	266.816	3.462	40	0		CGABLP
CC(C)C[NH2+][C@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21	ZINC000096510459	392257762	/nfs/dbraw/zinc/25/77/62/392257762.db2.gz	QPJSORAIVDIMSQ-HNNXBMFYSA-N	2	2	266.816	3.462	40	0		CGABLP
c1cc(C[N@@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)co1	ZINC000096216626	370209149	/nfs/dbraw/zinc/20/91/49/370209149.db2.gz	ZXEMTJHLKFXPOH-GOSISDBHSA-N	2	2	297.402	3.167	40	0		CGABLP
c1cc(C[N@H+]2CC[C@@]3(C2)CCCN(c2cccc[nH+]2)C3)co1	ZINC000096216626	370209158	/nfs/dbraw/zinc/20/91/58/370209158.db2.gz	ZXEMTJHLKFXPOH-GOSISDBHSA-N	2	2	297.402	3.167	40	0		CGABLP
Clc1ccc([N+]2=NCC3=C2C2=[N+](C=CC2)C3)cc1	ZINC000096305381	256839554	/nfs/dbraw/zinc/83/95/54/256839554.db2.gz	XHBAOMAYLJWGSY-UHFFFAOYSA-N	2	2	257.724	3.088	40	0		CGABLP
c1cn(-c2cccc([C@H]3CCC[N@H+]3C3CCCC3)n2)c[nH+]1	ZINC000072355518	176374650	/nfs/dbraw/zinc/37/46/50/176374650.db2.gz	DVEOHQCMAZLYHO-MRXNPFEDSA-N	2	2	282.391	3.347	40	0		CGABLP
c1cn(-c2cccc([C@H]3CCC[N@@H+]3C3CCCC3)n2)c[nH+]1	ZINC000072355518	176374651	/nfs/dbraw/zinc/37/46/51/176374651.db2.gz	DVEOHQCMAZLYHO-MRXNPFEDSA-N	2	2	282.391	3.347	40	0		CGABLP
Cc1cc(CC2CC[NH+](CC3CCOCC3)CC2)cc[nH+]1	ZINC000257290137	190027928	/nfs/dbraw/zinc/02/79/28/190027928.db2.gz	QBSQAQPPSIHNHA-UHFFFAOYSA-N	2	2	288.435	3.071	40	0		CGABLP
c1cn2c(cccc2C2CCN(c3cccc[nH+]3)CC2)[nH+]1	ZINC000257204607	377795905	/nfs/dbraw/zinc/79/59/05/377795905.db2.gz	AVMMCRGOWMWBLZ-UHFFFAOYSA-N	2	2	278.359	3.113	40	0		CGABLP
FC(F)(F)CC[NH+]1CCC2(CCC[N@H+]2CC2CC2)CC1	ZINC000096075227	303113013	/nfs/dbraw/zinc/11/30/13/303113013.db2.gz	MXTHSUDIZNJEFW-UHFFFAOYSA-N	2	2	290.373	3.279	40	0		CGABLP
FC(F)(F)CC[NH+]1CCC2(CCC[N@@H+]2CC2CC2)CC1	ZINC000096075227	303113011	/nfs/dbraw/zinc/11/30/11/303113011.db2.gz	MXTHSUDIZNJEFW-UHFFFAOYSA-N	2	2	290.373	3.279	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1	ZINC000257328695	190035113	/nfs/dbraw/zinc/03/51/13/190035113.db2.gz	XGSQBABSSZEUOF-ZDUSSCGKSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1	ZINC000257328695	190035114	/nfs/dbraw/zinc/03/51/14/190035114.db2.gz	XGSQBABSSZEUOF-ZDUSSCGKSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@H+](Cc3cccs3)C2)[nH+]1	ZINC000257337146	190036451	/nfs/dbraw/zinc/03/64/51/190036451.db2.gz	YROUITNGNHPCEV-LBPRGKRZSA-N	2	2	261.394	3.159	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@@H+](Cc3cccs3)C2)[nH+]1	ZINC000257337146	190036452	/nfs/dbraw/zinc/03/64/52/190036452.db2.gz	YROUITNGNHPCEV-LBPRGKRZSA-N	2	2	261.394	3.159	40	0		CGABLP
COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1	ZINC000257344964	190037795	/nfs/dbraw/zinc/03/77/95/190037795.db2.gz	ZZKAEHWQAFGZPN-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc(C)[nH+]3)C2)cc1	ZINC000257344964	190037796	/nfs/dbraw/zinc/03/77/96/190037796.db2.gz	ZZKAEHWQAFGZPN-OAHLLOKOSA-N	2	2	285.391	3.106	40	0		CGABLP
C[N@H+](Cc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1	ZINC000072203720	176341928	/nfs/dbraw/zinc/34/19/28/176341928.db2.gz	YFLKGKMZONNVGG-UHFFFAOYSA-N	2	2	273.207	3.177	40	0		CGABLP
C[N@@H+](Cc1cc(Cl)ccc1Cl)C1CC[NH2+]CC1	ZINC000072203720	176341930	/nfs/dbraw/zinc/34/19/30/176341930.db2.gz	YFLKGKMZONNVGG-UHFFFAOYSA-N	2	2	273.207	3.177	40	0		CGABLP
c1cc([C@@H]2CCC[NH2+]C2)cc(NC2CCCCC2)[nH+]1	ZINC000257313679	190031676	/nfs/dbraw/zinc/03/16/76/190031676.db2.gz	UTPKMLVDJUKYGZ-CQSZACIVSA-N	2	2	259.397	3.293	40	0		CGABLP
[NH3+]C1(C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1	ZINC000036810201	391976804	/nfs/dbraw/zinc/97/68/04/391976804.db2.gz	ZOFPTYINVTXSPG-LSDHHAIUSA-N	2	2	250.430	3.160	40	0		CGABLP
[NH3+]C1(C[N@H+]2CC[C@@H]3CCCC[C@@H]3C2)CCCCC1	ZINC000036810201	391976811	/nfs/dbraw/zinc/97/68/11/391976811.db2.gz	ZOFPTYINVTXSPG-LSDHHAIUSA-N	2	2	250.430	3.160	40	0		CGABLP
C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268575	370209014	/nfs/dbraw/zinc/20/90/14/370209014.db2.gz	XCLAKTGLPULDCJ-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268575	370209018	/nfs/dbraw/zinc/20/90/18/370209018.db2.gz	XCLAKTGLPULDCJ-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268575	370209023	/nfs/dbraw/zinc/20/90/23/370209023.db2.gz	XCLAKTGLPULDCJ-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(Cl)cc3)C2)C1	ZINC000096268575	370209026	/nfs/dbraw/zinc/20/90/26/370209026.db2.gz	XCLAKTGLPULDCJ-MRXNPFEDSA-N	2	2	278.827	3.258	40	0		CGABLP
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000306141129	374127905	/nfs/dbraw/zinc/12/79/05/374127905.db2.gz	VLWWFIYDAHQFPC-DLBZAZTESA-N	2	2	297.402	3.145	40	0		CGABLP
Cc1ccc(C[N@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000306141129	374127911	/nfs/dbraw/zinc/12/79/11/374127911.db2.gz	VLWWFIYDAHQFPC-DLBZAZTESA-N	2	2	297.402	3.145	40	0		CGABLP
[NH3+]C[C@@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCCCC1	ZINC000022217483	171376436	/nfs/dbraw/zinc/37/64/36/171376436.db2.gz	LLMTVCXUFHAIAK-ZDUSSCGKSA-N	2	2	288.313	3.071	40	0		CGABLP
C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1	ZINC000072203557	176341441	/nfs/dbraw/zinc/34/14/41/176341441.db2.gz	NXICHINWDCUHHU-NSHDSACASA-N	2	2	273.207	3.177	40	0		CGABLP
C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]C1	ZINC000072203557	176341442	/nfs/dbraw/zinc/34/14/42/176341442.db2.gz	NXICHINWDCUHHU-NSHDSACASA-N	2	2	273.207	3.177	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@@H+]2C(C)C)n1	ZINC000072355677	176375036	/nfs/dbraw/zinc/37/50/36/176375036.db2.gz	QXYZSGSPJSLMSF-OAHLLOKOSA-N	2	2	284.407	3.375	40	0		CGABLP
CCc1[nH+]ccn1-c1cccc([C@H]2CCC[N@H+]2C(C)C)n1	ZINC000072355677	176375037	/nfs/dbraw/zinc/37/50/37/176375037.db2.gz	QXYZSGSPJSLMSF-OAHLLOKOSA-N	2	2	284.407	3.375	40	0		CGABLP
CC(C)[N@H+](C)Cc1cncc2c1CC[NH+](Cc1ccoc1)C2	ZINC000096189464	370207491	/nfs/dbraw/zinc/20/74/91/370207491.db2.gz	FKYSRGDJYXKKSA-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[N@@H+](C)Cc1cncc2c1CC[NH+](Cc1ccoc1)C2	ZINC000096189464	370207493	/nfs/dbraw/zinc/20/74/93/370207493.db2.gz	FKYSRGDJYXKKSA-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[NH+](C)Cc1cncc2c1CC[N@H+](Cc1ccoc1)C2	ZINC000096189464	370207496	/nfs/dbraw/zinc/20/74/96/370207496.db2.gz	FKYSRGDJYXKKSA-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[NH+](C)Cc1cncc2c1CC[N@@H+](Cc1ccoc1)C2	ZINC000096189464	370207499	/nfs/dbraw/zinc/20/74/99/370207499.db2.gz	FKYSRGDJYXKKSA-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
Clc1cccc2c(N3CC[C@@]4(CC[NH2+]C4)C3)cc[nH+]c12	ZINC000334990120	375055853	/nfs/dbraw/zinc/05/58/53/375055853.db2.gz	MVBAZIPMJANDLZ-MRXNPFEDSA-N	2	2	287.794	3.078	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257272802	190024508	/nfs/dbraw/zinc/02/45/08/190024508.db2.gz	NDYDFUXKOIRVGV-AWEZNQCLSA-N	2	2	275.421	3.170	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257272802	190024509	/nfs/dbraw/zinc/02/45/09/190024509.db2.gz	NDYDFUXKOIRVGV-AWEZNQCLSA-N	2	2	275.421	3.170	40	0		CGABLP
CCc1[nH]c(C[N@@H+]2CCC[C@H](Cc3cccnc3)C2)c(C)[nH+]1	ZINC000257235123	190017006	/nfs/dbraw/zinc/01/70/06/190017006.db2.gz	GWODMVLEMCRDRM-MRXNPFEDSA-N	2	2	298.434	3.130	40	0		CGABLP
CCc1[nH]c(C[N@H+]2CCC[C@H](Cc3cccnc3)C2)c(C)[nH+]1	ZINC000257235123	190017007	/nfs/dbraw/zinc/01/70/07/190017007.db2.gz	GWODMVLEMCRDRM-MRXNPFEDSA-N	2	2	298.434	3.130	40	0		CGABLP
CCOc1ccccc1C[N@@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1	ZINC000257265321	190022835	/nfs/dbraw/zinc/02/28/35/190022835.db2.gz	LYEVDSRERUVALA-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
CCOc1ccccc1C[N@H+]1CC[C@H](c2[nH]cc(C)[nH+]2)C1	ZINC000257265321	190022836	/nfs/dbraw/zinc/02/28/36/190022836.db2.gz	LYEVDSRERUVALA-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
Clc1ccc([C@@H]2[NH2+]CC[NH2+]Cc3ccccc32)cc1	ZINC000019364669	368750113	/nfs/dbraw/zinc/75/01/13/368750113.db2.gz	BIRFBGKBJMZZJI-INIZCTEOSA-N	2	2	272.779	3.122	40	0		CGABLP
[NH3+]C1(C[N@@H+]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1	ZINC000036810202	391977058	/nfs/dbraw/zinc/97/70/58/391977058.db2.gz	ZOFPTYINVTXSPG-HUUCEWRRSA-N	2	2	250.430	3.160	40	0		CGABLP
[NH3+]C1(C[N@H+]2CC[C@H]3CCCC[C@@H]3C2)CCCCC1	ZINC000036810202	391977063	/nfs/dbraw/zinc/97/70/63/391977063.db2.gz	ZOFPTYINVTXSPG-HUUCEWRRSA-N	2	2	250.430	3.160	40	0		CGABLP
Cc1cc(C2CC[NH+](Cc3ccncc3)CC2)cc[nH+]1	ZINC000072367928	176382174	/nfs/dbraw/zinc/38/21/74/176382174.db2.gz	OTLPFJYMYYDTDU-UHFFFAOYSA-N	2	2	267.376	3.165	40	0		CGABLP
CCCN(CC[NH+]1CCCCC1)c1cc(C)cc[nH+]1	ZINC000001602383	368423563	/nfs/dbraw/zinc/42/35/63/368423563.db2.gz	OHMRBDAEJLSXEC-UHFFFAOYSA-N	2	2	261.413	3.092	40	0		CGABLP
CC[NH+](CC)[C@@H](C[NH3+])c1ccc(Cl)c(Cl)c1	ZINC000019262324	368746243	/nfs/dbraw/zinc/74/62/43/368746243.db2.gz	AMLOLOJKDZELSU-LBPRGKRZSA-N	2	2	261.196	3.335	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1	ZINC000257266613	190022826	/nfs/dbraw/zinc/02/28/26/190022826.db2.gz	MDSGOVNPTILQDC-CYBMUJFWSA-N	2	2	291.345	3.376	40	0		CGABLP
Cc1c[nH]c([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)[nH+]1	ZINC000257266613	190022827	/nfs/dbraw/zinc/02/28/27/190022827.db2.gz	MDSGOVNPTILQDC-CYBMUJFWSA-N	2	2	291.345	3.376	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000108018380	345936306	/nfs/dbraw/zinc/93/63/06/345936306.db2.gz	NJLPFISAWFGTMU-SMDDNHRTSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000108018380	345936309	/nfs/dbraw/zinc/93/63/09/345936309.db2.gz	NJLPFISAWFGTMU-SMDDNHRTSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000038860464	369147281	/nfs/dbraw/zinc/14/72/81/369147281.db2.gz	NJLPFISAWFGTMU-RISCZKNCSA-N	2	2	252.789	3.072	40	0		CGABLP
Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000306141130	374128369	/nfs/dbraw/zinc/12/83/69/374128369.db2.gz	VLWWFIYDAHQFPC-IAGOWNOFSA-N	2	2	297.402	3.145	40	0		CGABLP
Cc1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCN3c2cccc(C)[nH+]2)o1	ZINC000306141130	374128380	/nfs/dbraw/zinc/12/83/80/374128380.db2.gz	VLWWFIYDAHQFPC-IAGOWNOFSA-N	2	2	297.402	3.145	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2cncs2)cc[nH+]1	ZINC000257217355	190013620	/nfs/dbraw/zinc/01/36/20/190013620.db2.gz	CYPDQJUZGJJDOM-OAHLLOKOSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@H+]2Cc2cncs2)cc[nH+]1	ZINC000257217355	190013621	/nfs/dbraw/zinc/01/36/21/190013621.db2.gz	CYPDQJUZGJJDOM-OAHLLOKOSA-N	2	2	287.432	3.444	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257298619	190029100	/nfs/dbraw/zinc/02/91/00/190029100.db2.gz	RMNFMXJPZLENLZ-MRXNPFEDSA-N	2	2	269.392	3.140	40	0		CGABLP
Cc1c[nH]c([C@@H]2CC[N@@H+](CCCc3ccccc3)C2)[nH+]1	ZINC000257298619	190029101	/nfs/dbraw/zinc/02/91/01/190029101.db2.gz	RMNFMXJPZLENLZ-MRXNPFEDSA-N	2	2	269.392	3.140	40	0		CGABLP
CC[NH+](CC)[C@H](C[NH3+])c1ccccc1C(F)(F)F	ZINC000022214828	171375244	/nfs/dbraw/zinc/37/52/44/171375244.db2.gz	CIMXURRRDNKBPD-GFCCVEGCSA-N	2	2	260.303	3.047	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000108018384	345936272	/nfs/dbraw/zinc/93/62/72/345936272.db2.gz	AZSNIQWQHVUQLA-SMDDNHRTSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@H]1CCC[N@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000108018384	345936275	/nfs/dbraw/zinc/93/62/75/345936275.db2.gz	AZSNIQWQHVUQLA-SMDDNHRTSA-N	2	2	252.789	3.072	40	0		CGABLP
C[NH+](C)CCC[NH2+]Cc1c(Cl)cccc1Cl	ZINC000057322205	369534597	/nfs/dbraw/zinc/53/45/97/369534597.db2.gz	HBFRUTWRJQBSFL-UHFFFAOYSA-N	2	2	261.196	3.035	40	0		CGABLP
c1cn(-c2nccnc2[C@H]2CCC[N@@H+]2C2CCCCC2)c[nH+]1	ZINC000072359234	369818200	/nfs/dbraw/zinc/81/82/00/369818200.db2.gz	USXZTTZJBNDFKN-OAHLLOKOSA-N	2	2	297.406	3.132	40	0		CGABLP
c1cn(-c2nccnc2[C@H]2CCC[N@H+]2C2CCCCC2)c[nH+]1	ZINC000072359234	369818205	/nfs/dbraw/zinc/81/82/05/369818205.db2.gz	USXZTTZJBNDFKN-OAHLLOKOSA-N	2	2	297.406	3.132	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@@H+]2Cc2ccncc2)cc[nH+]1	ZINC000257265141	190023113	/nfs/dbraw/zinc/02/31/13/190023113.db2.gz	LXLSJXBAZDDBFJ-SFHVURJKSA-N	2	2	281.403	3.382	40	0		CGABLP
Cc1cc(CC[C@@H]2CCC[N@H+]2Cc2ccncc2)cc[nH+]1	ZINC000257265141	190023114	/nfs/dbraw/zinc/02/31/14/190023114.db2.gz	LXLSJXBAZDDBFJ-SFHVURJKSA-N	2	2	281.403	3.382	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH+]1	ZINC000257256650	190021980	/nfs/dbraw/zinc/02/19/80/190021980.db2.gz	KMJHAAFGWBQDEG-INIZCTEOSA-N	2	2	294.402	3.199	40	0		CGABLP
Cc1cn(C)c([C@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH+]1	ZINC000257256650	190021981	/nfs/dbraw/zinc/02/19/81/190021981.db2.gz	KMJHAAFGWBQDEG-INIZCTEOSA-N	2	2	294.402	3.199	40	0		CGABLP
COc1cccc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c1	ZINC000257331530	190035483	/nfs/dbraw/zinc/03/54/83/190035483.db2.gz	XTGSHSGLMCFGEM-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
COc1cccc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)c1	ZINC000257331530	190035484	/nfs/dbraw/zinc/03/54/84/190035484.db2.gz	XTGSHSGLMCFGEM-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
COc1ccc2ccccc2c1[C@H](C[NH3+])[NH+]1CCCCC1	ZINC000032055281	368923081	/nfs/dbraw/zinc/92/30/81/368923081.db2.gz	KXFYSDUDMGNQDA-INIZCTEOSA-N	2	2	284.403	3.334	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@H+](Cc3ccc4cc[nH]c4c3)C2)[nH+]1	ZINC000257256651	190021289	/nfs/dbraw/zinc/02/12/89/190021289.db2.gz	KMJHAAFGWBQDEG-MRXNPFEDSA-N	2	2	294.402	3.199	40	0		CGABLP
Cc1cn(C)c([C@@H]2CC[N@@H+](Cc3ccc4cc[nH]c4c3)C2)[nH+]1	ZINC000257256651	190021290	/nfs/dbraw/zinc/02/12/90/190021290.db2.gz	KMJHAAFGWBQDEG-MRXNPFEDSA-N	2	2	294.402	3.199	40	0		CGABLP
COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1	ZINC000257344963	190037556	/nfs/dbraw/zinc/03/75/56/190037556.db2.gz	ZZKAEHWQAFGZPN-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc(C)[nH+]3)C2)cc1	ZINC000257344963	190037557	/nfs/dbraw/zinc/03/75/57/190037557.db2.gz	ZZKAEHWQAFGZPN-HNNXBMFYSA-N	2	2	285.391	3.106	40	0		CGABLP
[NH3+]C1(C[N@@H+]2CC[C@H]3CCCC[C@H]3C2)CCCCC1	ZINC000242750475	376783204	/nfs/dbraw/zinc/78/32/04/376783204.db2.gz	ZOFPTYINVTXSPG-CABCVRRESA-N	2	2	250.430	3.160	40	0		CGABLP
[NH3+]C1(C[N@H+]2CC[C@H]3CCCC[C@H]3C2)CCCCC1	ZINC000242750475	376783208	/nfs/dbraw/zinc/78/32/08/376783208.db2.gz	ZOFPTYINVTXSPG-CABCVRRESA-N	2	2	250.430	3.160	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000251580371	377589132	/nfs/dbraw/zinc/58/91/32/377589132.db2.gz	AZSNIQWQHVUQLA-BXUZGUMPSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000251580371	377589138	/nfs/dbraw/zinc/58/91/38/377589138.db2.gz	AZSNIQWQHVUQLA-BXUZGUMPSA-N	2	2	252.789	3.072	40	0		CGABLP
Cc1c[nH]c([C@H]2CCC[N@H+](Cc3ccsc3)C2)[nH+]1	ZINC000257330723	377795154	/nfs/dbraw/zinc/79/51/54/377795154.db2.gz	XPPWJNYWVFTHQZ-ZDUSSCGKSA-N	2	2	261.394	3.159	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000022172217	391944527	/nfs/dbraw/zinc/94/45/27/391944527.db2.gz	XRGUJSFMOCLWLG-FZMZJTMJSA-N	2	2	286.341	3.437	40	0		CGABLP
C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000022172217	391944532	/nfs/dbraw/zinc/94/45/32/391944532.db2.gz	XRGUJSFMOCLWLG-FZMZJTMJSA-N	2	2	286.341	3.437	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1	ZINC000367704556	527534953	/nfs/dbraw/zinc/53/49/53/527534953.db2.gz	OXLUPQOMIPTFBA-OKACTXMXSA-N	2	2	281.403	3.313	40	0		CGABLP
C/C(=C\c1ccccc1)C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1	ZINC000367704556	527534956	/nfs/dbraw/zinc/53/49/56/527534956.db2.gz	OXLUPQOMIPTFBA-OKACTXMXSA-N	2	2	281.403	3.313	40	0		CGABLP
C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)cc1)C2	ZINC000096268549	370209437	/nfs/dbraw/zinc/20/94/37/370209437.db2.gz	HAIFWKXAQYYLJL-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(Cl)cc1)C2	ZINC000096268549	370209441	/nfs/dbraw/zinc/20/94/41/370209441.db2.gz	HAIFWKXAQYYLJL-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(Cl)cc1)C2	ZINC000096268549	370209444	/nfs/dbraw/zinc/20/94/44/370209444.db2.gz	HAIFWKXAQYYLJL-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(Cl)cc1)C2	ZINC000096268549	370209449	/nfs/dbraw/zinc/20/94/49/370209449.db2.gz	HAIFWKXAQYYLJL-INIZCTEOSA-N	2	2	278.827	3.258	40	0		CGABLP
CCc1ccc2c(C3C[NH+](CC4CCC4)C3)[nH+]cn2c1	ZINC000096260730	370209492	/nfs/dbraw/zinc/20/94/92/370209492.db2.gz	KKKZERJMJHBMOK-UHFFFAOYSA-N	2	2	269.392	3.096	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1	ZINC000257200965	190010448	/nfs/dbraw/zinc/01/04/48/190010448.db2.gz	AFNZXEDPAGBDKG-AWEZNQCLSA-N	2	2	280.375	3.189	40	0		CGABLP
Cc1c[nH]c([C@H]2CC[N@@H+](Cc3cccc4[nH]ccc43)C2)[nH+]1	ZINC000257200965	190010449	/nfs/dbraw/zinc/01/04/49/190010449.db2.gz	AFNZXEDPAGBDKG-AWEZNQCLSA-N	2	2	280.375	3.189	40	0		CGABLP
C[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1	ZINC000012113180	344879493	/nfs/dbraw/zinc/87/94/93/344879493.db2.gz	MGDXGLUHKKGPKT-IEBWSBKVSA-N	2	2	298.405	3.403	40	0		CGABLP
C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1	ZINC000012113180	344879496	/nfs/dbraw/zinc/87/94/96/344879496.db2.gz	MGDXGLUHKKGPKT-IEBWSBKVSA-N	2	2	298.405	3.403	40	0		CGABLP
Cc1ccccc1C[N@H+](CCC[NH+](C)C)Cc1ccccn1	ZINC000013990693	368672327	/nfs/dbraw/zinc/67/23/27/368672327.db2.gz	UKLOFGDRCMAQDF-UHFFFAOYSA-N	2	2	297.446	3.344	40	0		CGABLP
Cc1ccccc1C[N@@H+](CCC[NH+](C)C)Cc1ccccn1	ZINC000013990693	368672334	/nfs/dbraw/zinc/67/23/34/368672334.db2.gz	UKLOFGDRCMAQDF-UHFFFAOYSA-N	2	2	297.446	3.344	40	0		CGABLP
Cc1ccc(Cn2c3ccccc3[nH+]c2CCC[NH3+])cc1	ZINC000019734012	368761640	/nfs/dbraw/zinc/76/16/40/368761640.db2.gz	ZHDJCGAAFILDEJ-UHFFFAOYSA-N	2	2	279.387	3.284	40	0		CGABLP
Fc1ccccc1C[NH2+]CCCc1[nH]c2ccccc2[nH+]1	ZINC000062718663	369630343	/nfs/dbraw/zinc/63/03/43/369630343.db2.gz	ZDROHNBEEXJRKC-UHFFFAOYSA-N	2	2	283.350	3.424	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@@H+]2Cc2ccccn2)cc[nH+]1	ZINC000257204188	190011211	/nfs/dbraw/zinc/01/12/11/190011211.db2.gz	ATLCTGFJFXGTOW-GOSISDBHSA-N	2	2	281.403	3.382	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@H+]2Cc2ccccn2)cc[nH+]1	ZINC000257204188	190011212	/nfs/dbraw/zinc/01/12/12/190011212.db2.gz	ATLCTGFJFXGTOW-GOSISDBHSA-N	2	2	281.403	3.382	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000022168424	171366643	/nfs/dbraw/zinc/36/66/43/171366643.db2.gz	AZSNIQWQHVUQLA-FZMZJTMJSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@H]1CCC[N@H+]([C@@H](C[NH3+])c2cccc(Cl)c2)C1	ZINC000022168424	171366645	/nfs/dbraw/zinc/36/66/45/171366645.db2.gz	AZSNIQWQHVUQLA-FZMZJTMJSA-N	2	2	252.789	3.072	40	0		CGABLP
C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@@H]2CCCC[C@H]2C1	ZINC000022580131	275393517	/nfs/dbraw/zinc/39/35/17/275393517.db2.gz	QHYOXODERCRGTD-XLAORIBOSA-N	2	2	276.468	3.230	40	0		CGABLP
C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@@H]2CCCC[C@H]2C1	ZINC000022580131	275393518	/nfs/dbraw/zinc/39/35/18/275393518.db2.gz	QHYOXODERCRGTD-XLAORIBOSA-N	2	2	276.468	3.230	40	0		CGABLP
C[NH2+][C@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079438027	369968446	/nfs/dbraw/zinc/96/84/46/369968446.db2.gz	GBXVGBWCLZSMGO-IRXDYDNUSA-N	2	2	258.409	3.182	40	0		CGABLP
C[NH2+][C@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079438027	369968448	/nfs/dbraw/zinc/96/84/48/369968448.db2.gz	GBXVGBWCLZSMGO-IRXDYDNUSA-N	2	2	258.409	3.182	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257286626	190027338	/nfs/dbraw/zinc/02/73/38/190027338.db2.gz	PMHJJTNEXQRKNC-KRWDZBQOSA-N	2	2	283.419	3.151	40	0		CGABLP
Cc1cn(C)c([C@H]2CCC[N@@H+](CCc3ccccc3)C2)[nH+]1	ZINC000257286626	190027339	/nfs/dbraw/zinc/02/73/39/190027339.db2.gz	PMHJJTNEXQRKNC-KRWDZBQOSA-N	2	2	283.419	3.151	40	0		CGABLP
CC(C)[NH+]1CCC(Cc2ccnc(-c3c[nH+]cn3C)c2)CC1	ZINC000257332965	190035428	/nfs/dbraw/zinc/03/54/28/190035428.db2.gz	XZMAHHSLLIHZOM-UHFFFAOYSA-N	2	2	298.434	3.145	40	0		CGABLP
C[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1	ZINC000012113181	344879687	/nfs/dbraw/zinc/87/96/87/344879687.db2.gz	MGDXGLUHKKGPKT-MJGOQNOKSA-N	2	2	298.405	3.403	40	0		CGABLP
C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2F)[C@@H](c2ccccc2)C1	ZINC000012113181	344879689	/nfs/dbraw/zinc/87/96/89/344879689.db2.gz	MGDXGLUHKKGPKT-MJGOQNOKSA-N	2	2	298.405	3.403	40	0		CGABLP
COc1cccc(C[NH2+]CCCc2[nH]c3ccccc3[nH+]2)c1	ZINC000062718653	369630360	/nfs/dbraw/zinc/63/03/60/369630360.db2.gz	LRCGEXZBTUMLIQ-UHFFFAOYSA-N	2	2	295.386	3.294	40	0		CGABLP
Cc1cc(CC2CC[NH+](Cc3cncs3)CC2)cc[nH+]1	ZINC000257315693	190032981	/nfs/dbraw/zinc/03/29/81/190032981.db2.gz	VCLBAJXDOJTZJR-UHFFFAOYSA-N	2	2	287.432	3.301	40	0		CGABLP
CCc1[nH]c(C[NH+]2CCC(Cc3ccncc3)CC2)c(C)[nH+]1	ZINC000257229913	190016239	/nfs/dbraw/zinc/01/62/39/190016239.db2.gz	FZZASRRXWLFPEJ-UHFFFAOYSA-N	2	2	298.434	3.130	40	0		CGABLP
CCCn1c2ccccc2[nH+]c1NCC[NH+](CC)CC	ZINC000005817561	170142883	/nfs/dbraw/zinc/14/28/83/170142883.db2.gz	LAUNQBZPNMVKEF-UHFFFAOYSA-N	2	2	274.412	3.200	40	0		CGABLP
Clc1cccc(-c2[nH+]ccn2C2CC[NH2+]CC2)c1	ZINC000082735360	178256052	/nfs/dbraw/zinc/25/60/52/178256052.db2.gz	PZKYHFJUCFXUAB-UHFFFAOYSA-N	2	2	261.756	3.128	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000252215881	377619409	/nfs/dbraw/zinc/61/94/09/377619409.db2.gz	XRGUJSFMOCLWLG-BXUZGUMPSA-N	2	2	286.341	3.437	40	0		CGABLP
C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(C(F)(F)F)cc2)C1	ZINC000252215881	377619413	/nfs/dbraw/zinc/61/94/13/377619413.db2.gz	XRGUJSFMOCLWLG-BXUZGUMPSA-N	2	2	286.341	3.437	40	0		CGABLP
[NH3+]C[C@H](c1ccc(C(F)(F)F)cc1)[NH+]1CCCCC1	ZINC000022212842	391944126	/nfs/dbraw/zinc/94/41/26/391944126.db2.gz	XHNASWXECKUESZ-CYBMUJFWSA-N	2	2	272.314	3.191	40	0		CGABLP
c1cn(-c2cncc([C@@H]3CCC[N@@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378712	176385471	/nfs/dbraw/zinc/38/54/71/176385471.db2.gz	DLQYQLDRWJURFP-INIZCTEOSA-N	2	2	297.406	3.132	40	0		CGABLP
c1cn(-c2cncc([C@@H]3CCC[N@H+]3C3CCCCC3)n2)c[nH+]1	ZINC000072378712	176385472	/nfs/dbraw/zinc/38/54/72/176385472.db2.gz	DLQYQLDRWJURFP-INIZCTEOSA-N	2	2	297.406	3.132	40	0		CGABLP
CC(C)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)cc1	ZINC000019711743	344890972	/nfs/dbraw/zinc/89/09/72/344890972.db2.gz	ODFSOVRGCUMXGL-QZTJIDSGSA-N	2	2	288.435	3.190	40	0		CGABLP
CC(C)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CCCC[C@H]32)cc1	ZINC000019711743	344890974	/nfs/dbraw/zinc/89/09/74/344890974.db2.gz	ODFSOVRGCUMXGL-QZTJIDSGSA-N	2	2	288.435	3.190	40	0		CGABLP
C[NH2+][C@@H]1CCCC[C@@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079438023	369968783	/nfs/dbraw/zinc/96/87/83/369968783.db2.gz	GBXVGBWCLZSMGO-SJORKVTESA-N	2	2	258.409	3.182	40	0		CGABLP
C[NH2+][C@@H]1CCCC[C@@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079438023	369968788	/nfs/dbraw/zinc/96/87/88/369968788.db2.gz	GBXVGBWCLZSMGO-SJORKVTESA-N	2	2	258.409	3.182	40	0		CGABLP
Cc1cc(F)c(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1	ZINC000334566877	374866925	/nfs/dbraw/zinc/86/69/25/374866925.db2.gz	QYNRAAYMAMISIJ-NSHDSACASA-N	2	2	293.773	3.089	40	0		CGABLP
c1coc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)c1	ZINC000096049291	185073179	/nfs/dbraw/zinc/07/31/79/185073179.db2.gz	ILBBJLQNEYKYRN-UHFFFAOYSA-N	2	2	274.408	3.120	40	0		CGABLP
c1coc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)c1	ZINC000096049291	185073180	/nfs/dbraw/zinc/07/31/80/185073180.db2.gz	ILBBJLQNEYKYRN-UHFFFAOYSA-N	2	2	274.408	3.120	40	0		CGABLP
CC(C)C[N@@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1	ZINC000096215272	392246908	/nfs/dbraw/zinc/24/69/08/392246908.db2.gz	PRZFXCNAKBRMPP-QGZVFWFLSA-N	2	2	273.424	3.030	40	0		CGABLP
CC(C)C[N@H+]1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1	ZINC000096215272	392246910	/nfs/dbraw/zinc/24/69/10/392246910.db2.gz	PRZFXCNAKBRMPP-QGZVFWFLSA-N	2	2	273.424	3.030	40	0		CGABLP
C[C@@H]1CCC[N@@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000242574921	287359287	/nfs/dbraw/zinc/35/92/87/287359287.db2.gz	NJLPFISAWFGTMU-BXUZGUMPSA-N	2	2	252.789	3.072	40	0		CGABLP
C[C@@H]1CCC[N@H+]([C@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000242574921	287359289	/nfs/dbraw/zinc/35/92/89/287359289.db2.gz	NJLPFISAWFGTMU-BXUZGUMPSA-N	2	2	252.789	3.072	40	0		CGABLP
C(C[N@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000019366235	275393479	/nfs/dbraw/zinc/39/34/79/275393479.db2.gz	QHYOXODERCRGTD-USTZCAOPSA-N	2	2	276.468	3.230	40	0		CGABLP
C(C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1)[NH+]1C[C@@H]2CCCC[C@@H]2C1	ZINC000019366235	275393480	/nfs/dbraw/zinc/39/34/80/275393480.db2.gz	QHYOXODERCRGTD-USTZCAOPSA-N	2	2	276.468	3.230	40	0		CGABLP
c1cc(C[NH+]2CCC3(CCC[N@H+]3CC3CC3)CC2)co1	ZINC000096049293	185073606	/nfs/dbraw/zinc/07/36/06/185073606.db2.gz	PHWUJWAHRYHJMQ-UHFFFAOYSA-N	2	2	274.408	3.120	40	0		CGABLP
c1cc(C[NH+]2CCC3(CCC[N@@H+]3CC3CC3)CC2)co1	ZINC000096049293	185073609	/nfs/dbraw/zinc/07/36/09/185073609.db2.gz	PHWUJWAHRYHJMQ-UHFFFAOYSA-N	2	2	274.408	3.120	40	0		CGABLP
C[C@H]1CCC[N@@H+]([C@@H](C[NH3+])c2ccc(Cl)cc2)C1	ZINC000038860467	369147420	/nfs/dbraw/zinc/14/74/20/369147420.db2.gz	NJLPFISAWFGTMU-FZMZJTMJSA-N	2	2	252.789	3.072	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@@H+]2CC2CCOCC2)cc[nH+]1	ZINC000257311689	190031644	/nfs/dbraw/zinc/03/16/44/190031644.db2.gz	UKQAARSVVGOQES-GOSISDBHSA-N	2	2	288.435	3.214	40	0		CGABLP
Cc1cc(CC[C@H]2CCC[N@H+]2CC2CCOCC2)cc[nH+]1	ZINC000257311689	190031645	/nfs/dbraw/zinc/03/16/45/190031645.db2.gz	UKQAARSVVGOQES-GOSISDBHSA-N	2	2	288.435	3.214	40	0		CGABLP
CC(C)C[N@@H+]1CCC[C@@H](c2cccc3[nH+]ccn32)C1	ZINC000257220904	393135903	/nfs/dbraw/zinc/13/59/03/393135903.db2.gz	DMSOQAFIXIIMGJ-CQSZACIVSA-N	2	2	257.381	3.170	40	0		CGABLP
CC(C)C[N@H+]1CCC[C@@H](c2cccc3[nH+]ccn32)C1	ZINC000257220904	393135906	/nfs/dbraw/zinc/13/59/06/393135906.db2.gz	DMSOQAFIXIIMGJ-CQSZACIVSA-N	2	2	257.381	3.170	40	0		CGABLP
C[N@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1	ZINC000072203556	176341685	/nfs/dbraw/zinc/34/16/85/176341685.db2.gz	NXICHINWDCUHHU-LLVKDONJSA-N	2	2	273.207	3.177	40	0		CGABLP
C[N@@H+](Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]C1	ZINC000072203556	176341687	/nfs/dbraw/zinc/34/16/87/176341687.db2.gz	NXICHINWDCUHHU-LLVKDONJSA-N	2	2	273.207	3.177	40	0		CGABLP
C[NH2+][C@H]1CCCC[C@H]1[N@H+](Cc1ccccc1)C1CC1	ZINC000079438033	369968863	/nfs/dbraw/zinc/96/88/63/369968863.db2.gz	GBXVGBWCLZSMGO-DLBZAZTESA-N	2	2	258.409	3.182	40	0		CGABLP
C[NH2+][C@H]1CCCC[C@H]1[N@@H+](Cc1ccccc1)C1CC1	ZINC000079438033	369968868	/nfs/dbraw/zinc/96/88/68/369968868.db2.gz	GBXVGBWCLZSMGO-DLBZAZTESA-N	2	2	258.409	3.182	40	0		CGABLP
CC(C)[NH2+][C@H]1CC[N@H+](C)Cc2ccc(Cl)cc21	ZINC000096510455	392257860	/nfs/dbraw/zinc/25/78/60/392257860.db2.gz	MTNYLGNORUWNLE-AWEZNQCLSA-N	2	2	252.789	3.215	40	0		CGABLP
CC(C)[NH2+][C@H]1CC[N@@H+](C)Cc2ccc(Cl)cc21	ZINC000096510455	392257863	/nfs/dbraw/zinc/25/78/63/392257863.db2.gz	MTNYLGNORUWNLE-AWEZNQCLSA-N	2	2	252.789	3.215	40	0		CGABLP
CC(C)C[N@@H+]1CCC[C@H](c2cccc3[nH+]ccn32)C1	ZINC000257220903	393135786	/nfs/dbraw/zinc/13/57/86/393135786.db2.gz	DMSOQAFIXIIMGJ-AWEZNQCLSA-N	2	2	257.381	3.170	40	0		CGABLP
CC(C)C[N@H+]1CCC[C@H](c2cccc3[nH+]ccn32)C1	ZINC000257220903	393135794	/nfs/dbraw/zinc/13/57/94/393135794.db2.gz	DMSOQAFIXIIMGJ-AWEZNQCLSA-N	2	2	257.381	3.170	40	0		CGABLP
CC(C)[N@@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1	ZINC000096189518	370207311	/nfs/dbraw/zinc/20/73/11/370207311.db2.gz	AMGXADFTJMLWPT-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[N@H+]1CCc2c(C[NH+](C)Cc3ccco3)cncc2C1	ZINC000096189518	370207317	/nfs/dbraw/zinc/20/73/17/370207317.db2.gz	AMGXADFTJMLWPT-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[NH+]1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1	ZINC000096189518	370207322	/nfs/dbraw/zinc/20/73/22/370207322.db2.gz	AMGXADFTJMLWPT-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
CC(C)[NH+]1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1	ZINC000096189518	370207324	/nfs/dbraw/zinc/20/73/24/370207324.db2.gz	AMGXADFTJMLWPT-UHFFFAOYSA-N	2	2	299.418	3.073	40	0		CGABLP
Clc1ccc(C[NH2+]C[C@@H]2CCCC[NH2+]2)cc1Cl	ZINC000072203656	176341365	/nfs/dbraw/zinc/34/13/65/176341365.db2.gz	BRYNZNMTVPHSCC-NSHDSACASA-N	2	2	273.207	3.225	40	0		CGABLP
CC(C)c1[nH+]ccn1-c1cccc(C2CC[NH+](C)CC2)n1	ZINC000072378670	176386078	/nfs/dbraw/zinc/38/60/78/176386078.db2.gz	ARHIDINSVNDHOZ-UHFFFAOYSA-N	2	2	284.407	3.200	40	0		CGABLP