smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
c1csc(C[NH+]2CCC3(C[C@@H]([NH2+]CC4CC4)c4ccccc43)CC2)n1	ZINC000096079055	570474951	/nfs/dbraw/zinc/47/49/51/570474951.db2.gz	VXBUUUPAWBPGNO-LJQANCHMSA-N	2	0	353.535	4.121	40	0		FIABRP
c1csc(C[NH+]2CCC3(C[C@H]([NH2+]CC4CC4)c4ccccc43)CC2)n1	ZINC000096079056	570475189	/nfs/dbraw/zinc/47/51/89/570475189.db2.gz	VXBUUUPAWBPGNO-IBGZPJMESA-N	2	0	353.535	4.121	40	0		FIABRP
c1coc(C[NH2+][C@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)c1	ZINC000096241459	570479952	/nfs/dbraw/zinc/47/99/52/570479952.db2.gz	UKEWFGIFROVAKO-QHCPKHFHSA-N	2	0	373.500	4.443	40	0		FIABRP
c1coc(C[NH2+][C@@H]2CC3(CC[NH+](Cc4cccnc4)CC3)c3ccccc32)c1	ZINC000096241458	570480037	/nfs/dbraw/zinc/48/00/37/570480037.db2.gz	UKEWFGIFROVAKO-HSZRJFAPSA-N	2	0	373.500	4.443	40	0		FIABRP
CNc1cc(C[N@H+](C)CCC2=C(C)CCCC2(C)C)nc([C@H]2CCC[NH2+]2)n1	ZINC000019760759	571327237	/nfs/dbraw/zinc/32/72/37/571327237.db2.gz	NFTXFLPREKVANC-LJQANCHMSA-N	2	0	371.573	4.291	40	0		FIABRP
Cc1cc(N)c2cc(OCCOc3ccc4[nH+]c(C)cc(N)c4c3)ccc2[nH+]1	ZINC000001848333	204020482	/nfs/dbraw/zinc/02/04/82/204020482.db2.gz	IJWLPZOWYJMRPO-UHFFFAOYSA-N	2	0	374.444	4.022	40	0	in-vitro	FIABRP
COC[C@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585103039	571223110	/nfs/dbraw/zinc/22/31/10/571223110.db2.gz	LBWPRDPNJMLMNU-GOSISDBHSA-N	2	0	374.550	4.010	40	0		FIABRP
CCOc1cc(CNCCC[NH2+]C)ccc1OCc1ccccc1Cl	ZINC000008254686	204323671	/nfs/dbraw/zinc/32/36/71/204323671.db2.gz	NDCYMKBEKBFKAM-UHFFFAOYSA-N	2	0	362.901	4.017	40	0		FIABRP
COc1ccc(C[N@H+]2C[C@H]3c4ccccc4[C@H]([NH+](C)C(C)C)[C@H]3C2)cc1	ZINC000096058323	570474626	/nfs/dbraw/zinc/47/46/26/570474626.db2.gz	CKXBSFGJFQZXCA-VABKMULXSA-N	2	0	350.506	4.306	40	0		FIABRP
C[NH+](C)Cc1ccc(C(O)(c2ccccc2)c2ccc(C[NH+](C)C)cc2)cc1	ZINC000004933546	204178613	/nfs/dbraw/zinc/17/86/13/204178613.db2.gz	XIZNXPRKXYRKPK-UHFFFAOYSA-N	2	0	374.528	4.094	40	0		FIABRP
CCc1ccc(C[NH+]2CCC3(C[C@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1	ZINC000096220971	570479678	/nfs/dbraw/zinc/47/96/78/570479678.db2.gz	QBITWFANMYAVNL-FQEVSTJZSA-N	2	0	368.521	4.098	40	0		FIABRP
C[C@H](CC[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1	ZINC000019455678	570889697	/nfs/dbraw/zinc/88/96/97/570889697.db2.gz	PJJFJMCYGGLNNR-XMSQKQJNSA-N	2	0	364.537	4.185	40	0		FIABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccco4)CC3)CC2)c1	ZINC000096047239	570472974	/nfs/dbraw/zinc/47/29/74/570472974.db2.gz	TTWNWJOXBGBQDX-UHFFFAOYSA-N	2	0	354.494	4.166	40	0		FIABRP
O=C(Nc1ccccc1C[NH+]1CCCC1)[C@@H](c1ccccc1)[NH+]1CCCC1	ZINC000019659575	570897258	/nfs/dbraw/zinc/89/72/58/570897258.db2.gz	HYIAZDOMVJLPAF-JOCHJYFZSA-N	2	0	363.505	4.058	40	0		FIABRP
COC[C@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585102921	571223256	/nfs/dbraw/zinc/22/32/56/571223256.db2.gz	IMAZVZFDDKINMK-GOSISDBHSA-N	2	0	374.550	4.010	40	0		FIABRP
COC[C@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585103269	571223493	/nfs/dbraw/zinc/22/34/93/571223493.db2.gz	NXDVGUZFEIZVRC-LJQANCHMSA-N	2	0	374.550	4.010	40	0		FIABRP
Fc1cccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)c1	ZINC000096047236	570473126	/nfs/dbraw/zinc/47/31/26/570473126.db2.gz	BAOWRCNVZFLMAM-UHFFFAOYSA-N	2	0	353.485	4.099	40	0		FIABRP
Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C	ZINC000096215473	570479592	/nfs/dbraw/zinc/47/95/92/570479592.db2.gz	DJBYPZNCSZWCHH-HSZRJFAPSA-N	2	0	356.554	4.018	40	0		FIABRP
CC[NH+]1CCC2(CC1)C[N@H+](Cc1ccsc1)Cc1cc(C)ccc1O2	ZINC000019527064	570892120	/nfs/dbraw/zinc/89/21/20/570892120.db2.gz	NDMZAVMNGXEBNP-UHFFFAOYSA-N	2	0	356.535	4.306	40	0		FIABRP
COc1ccc(C[NH+]2CCC3(CC[C@@H]3[N@H+](C)Cc3ccco3)CC2)cc1	ZINC000096051565	209103177	/nfs/dbraw/zinc/10/31/77/209103177.db2.gz	QMPRXSCEXKSISL-NRFANRHFSA-N	2	0	354.494	4.165	40	0		FIABRP
Cc1cccc(C[N@@H+]2Cc3ccccc3OC3(CCC([NH+](C)C)CC3)C2)n1	ZINC000019236340	570883764	/nfs/dbraw/zinc/88/37/64/570883764.db2.gz	XHTUHTMFLQJXRT-UHFFFAOYSA-N	2	0	365.521	4.028	40	0		FIABRP
Cc1ccsc1C[N@H+]1Cc2c(nc(C)n2C(C)C)C2(CC[NH+](C)CC2)C1	ZINC000306141485	571042158	/nfs/dbraw/zinc/04/21/58/571042158.db2.gz	VXTJAMWAZKZJNC-UHFFFAOYSA-N	2	0	372.582	4.122	40	0		FIABRP
Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](CC2CCOCC2)C3)cc1C	ZINC000096215469	209135481	/nfs/dbraw/zinc/13/54/81/209135481.db2.gz	DJBYPZNCSZWCHH-QHCPKHFHSA-N	2	0	356.554	4.018	40	0		FIABRP
CCOc1cc(CNCCC[NH2+]C)ccc1OCc1ccc(Cl)cc1	ZINC000008254523	207226832	/nfs/dbraw/zinc/22/68/32/207226832.db2.gz	UECZYKDQWNOVSJ-UHFFFAOYSA-N	2	0	362.901	4.017	40	0		FIABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)c1	ZINC000096046634	209099780	/nfs/dbraw/zinc/09/97/80/209099780.db2.gz	RXWXRCCKQDEWQV-UHFFFAOYSA-N	2	0	356.535	4.245	40	0		FIABRP
COc1ccccc1CN(Cc1ccncc1)C1CC(C)(C)[NH2+]C(C)(C)C1	ZINC000013992609	570840511	/nfs/dbraw/zinc/84/05/11/570840511.db2.gz	HKCKOBPKIVFNES-UHFFFAOYSA-N	2	0	367.537	4.402	40	0		FIABRP
C[C@@H](C[N@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)c1ccccc1	ZINC000019455965	570889679	/nfs/dbraw/zinc/88/96/79/570889679.db2.gz	PHSLQTAGDDKCRO-KRWDZBQOSA-N	2	0	362.521	4.265	40	0		FIABRP
C[N@H+](C[C@H]1CC=CCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000257324752	571162352	/nfs/dbraw/zinc/16/23/52/571162352.db2.gz	WPZLWBUBYGOAMQ-YGWXTMFKSA-N	2	0	354.538	4.480	40	0		FIABRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000096220948	209137979	/nfs/dbraw/zinc/13/79/79/209137979.db2.gz	TUYMCDZNQIQHEL-IBGZPJMESA-N	2	0	356.535	4.004	40	0		FIABRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000096220951	209138076	/nfs/dbraw/zinc/13/80/76/209138076.db2.gz	KRGVMSGYKWBINW-HXUWFJFHSA-N	2	0	356.535	4.004	40	0		FIABRP
c1ccc(CC[n+]2ccc(-c3cc[n+](CCc4ccccc4)cc3)cc2)cc1	ZINC000005603065	207107806	/nfs/dbraw/zinc/10/78/06/207107806.db2.gz	UCDUNTUBFXQVMF-UHFFFAOYSA-N	2	0	366.508	4.414	40	0		FIABRP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013756204	570838451	/nfs/dbraw/zinc/83/84/51/570838451.db2.gz	RTMYNEJVZJZFHI-MZLICYQSSA-N	2	0	366.549	4.473	40	0		FIABRP
C[N@H+](C[C@@H]1CC=CCC1)C1CCC2(CC1)C[NH+](C)Cc1ccccc1O2	ZINC000257324751	571162411	/nfs/dbraw/zinc/16/24/11/571162411.db2.gz	WPZLWBUBYGOAMQ-VWRAKTAISA-N	2	0	354.538	4.480	40	0		FIABRP
C[NH2+]CCC[NH2+]Cc1ccc(OCc2ccc(Cl)cc2Cl)cc1	ZINC000008377101	207230714	/nfs/dbraw/zinc/23/07/14/207230714.db2.gz	YOOINNNKAPJIQJ-UHFFFAOYSA-N	2	0	353.293	4.272	40	0		FIABRP
COc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccc(C)o4)CC3)CC2)c1	ZINC000096047244	209099931	/nfs/dbraw/zinc/09/99/31/209099931.db2.gz	YDYNNWPFYSQETD-UHFFFAOYSA-N	2	0	368.521	4.475	40	0		FIABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccc(C)o4)C3)CC2)c1	ZINC000096046636	209100603	/nfs/dbraw/zinc/10/06/03/209100603.db2.gz	LREKIIICJHNUIR-UHFFFAOYSA-N	2	0	354.494	4.085	40	0		FIABRP
NC(=[NH2+])c1ccc(Nc2ccc(-c3cc4ccc(C(N)=[NH2+])cc4[nH]3)cc2)cc1	ZINC000001590357	570502609	/nfs/dbraw/zinc/50/26/09/570502609.db2.gz	TZRXNWCLKYWDNH-UHFFFAOYSA-N	2	0	368.444	4.147	40	0		FIABRP
CN(Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@H]1CC[N@H+](C)C1	ZINC000019460843	220260578	/nfs/dbraw/zinc/26/05/78/220260578.db2.gz	FDLPYMZCFDMIMY-INIZCTEOSA-N	2	0	361.599	4.066	40	0		FIABRP
CCOc1cc(CNCCC[NH2+]C)cc(Cl)c1OCc1ccccc1	ZINC000008254065	207226478	/nfs/dbraw/zinc/22/64/78/207226478.db2.gz	LWDJRXUXXMZHKL-UHFFFAOYSA-N	2	0	362.901	4.017	40	0		FIABRP
COC[C@@H]1C[N@H+](Cc2ccco2)CC12CC[NH+](Cc1ccc(C)s1)CC2	ZINC000585103041	571223292	/nfs/dbraw/zinc/22/32/92/571223292.db2.gz	LBWPRDPNJMLMNU-SFHVURJKSA-N	2	0	374.550	4.010	40	0		FIABRP
COC[C@@H]1C[N@H+](Cc2ccsc2)CC12CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585103268	571223358	/nfs/dbraw/zinc/22/33/58/571223358.db2.gz	NXDVGUZFEIZVRC-IBGZPJMESA-N	2	0	374.550	4.010	40	0		FIABRP
C[C@H](CC[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1	ZINC000248080455	571291093	/nfs/dbraw/zinc/29/10/93/571291093.db2.gz	PJJFJMCYGGLNNR-GCJKJVERSA-N	2	0	364.537	4.185	40	0		FIABRP
Cc1cccc(C[N@@H+](C)C2CCC3(CC2)C[NH+](C)Cc2ccccc2O3)n1	ZINC000019236098	211209402	/nfs/dbraw/zinc/20/94/02/211209402.db2.gz	KUNRLDDREOHPIY-UHFFFAOYSA-N	2	0	365.521	4.028	40	0		FIABRP
COc1ccc(C[NH+]2CCC3(CC[C@H]3[N@H+](C)Cc3ccco3)CC2)cc1	ZINC000096051564	222003210	/nfs/dbraw/zinc/00/32/10/222003210.db2.gz	QMPRXSCEXKSISL-OAQYLSRUSA-N	2	0	354.494	4.165	40	0		FIABRP
CCc1ccc(C[NH+]2CCC3(C[C@@H]([N@H+](C)Cc4ccccc4)CO3)CC2)o1	ZINC000096220973	222085691	/nfs/dbraw/zinc/08/56/91/222085691.db2.gz	QBITWFANMYAVNL-HXUWFJFHSA-N	2	0	368.521	4.098	40	0		FIABRP
C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CC[NH+](Cc1cccs1)CC2	ZINC000096220946	222086050	/nfs/dbraw/zinc/08/60/50/222086050.db2.gz	TUYMCDZNQIQHEL-LJQANCHMSA-N	2	0	356.535	4.004	40	0		FIABRP
O=C(CCCCCCCCC(=O)C[NH+]1CCCCC1)C[NH+]1CCCCC1	ZINC000004403602	570589711	/nfs/dbraw/zinc/58/97/11/570589711.db2.gz	ZJMVTBDNMCKZIE-UHFFFAOYSA-N	2	0	364.574	4.217	40	0		FIABRP
C[C@@H](CC[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1	ZINC000019455676	211224543	/nfs/dbraw/zinc/22/45/43/211224543.db2.gz	PJJFJMCYGGLNNR-PGRDOPGGSA-N	2	0	364.537	4.185	40	0		FIABRP
COCC[NH+]1CCC2(C[C@@H]([NH2+]Cc3ccc(C)s3)c3ccccc32)CC1	ZINC000096241444	222096973	/nfs/dbraw/zinc/09/69/73/222096973.db2.gz	NCSMWIOYNUCWSB-OAQYLSRUSA-N	2	0	370.562	4.271	40	0		FIABRP
C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CC[NH+](Cc1ccsc1)CC2	ZINC000096220953	222085368	/nfs/dbraw/zinc/08/53/68/222085368.db2.gz	KRGVMSGYKWBINW-FQEVSTJZSA-N	2	0	356.535	4.004	40	0		FIABRP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785492	570669327	/nfs/dbraw/zinc/66/93/27/570669327.db2.gz	RTMYNEJVZJZFHI-JXALWOEJSA-N	2	0	366.549	4.473	40	0		FIABRP
COC[C@@H]1C[N@H+](Cc2cccs2)CC12CC[NH+](Cc1ccc(C)o1)CC2	ZINC000585102922	571223220	/nfs/dbraw/zinc/22/32/20/571223220.db2.gz	IMAZVZFDDKINMK-SFHVURJKSA-N	2	0	374.550	4.010	40	0		FIABRP
C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1cccc(F)c1)Cc1ccccc1O2	ZINC000019583953	211238019	/nfs/dbraw/zinc/23/80/19/211238019.db2.gz	USQKGZBJTNSUCK-UHFFFAOYSA-N	2	0	368.496	4.463	40	0		FIABRP
c1ccc(C[NH2+][C@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH2+]Cc2ccccc2)cc1	ZINC000226074598	1120125523	/nfs/dbraw/zinc/12/55/23/1120125523.db2.gz	LLRPUFMACFGFPY-FNAHDJPLSA-N	2	0	352.547	4.361	40	0		FIABRP
COc1ccccc1[C@@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccco1	ZINC000013804702	220095549	/nfs/dbraw/zinc/09/55/49/220095549.db2.gz	IRQFLDPUVMQMKX-CUDHKJQZSA-N	2	0	356.510	4.129	40	0		FIABRP
C[NH+](C)C1CCC2(CC1)C[N@H+](Cc1ccccc1)Cc1ccccc1O2	ZINC000019584035	220275240	/nfs/dbraw/zinc/27/52/40/220275240.db2.gz	AYWMNOJFUJEXEN-UHFFFAOYSA-N	2	0	350.506	4.324	40	0		FIABRP
O=C(Nc1ccccc1C[NH+]1CCCC1)[C@H](c1ccccc1)[NH+]1CCCC1	ZINC000019659573	220283750	/nfs/dbraw/zinc/28/37/50/220283750.db2.gz	HYIAZDOMVJLPAF-QFIPXVFZSA-N	2	0	363.505	4.058	40	0		FIABRP
COc1cccc(C[NH+]2CCC3(CC[N@H+](Cc4ccsc4)C3)CC2)c1	ZINC000096046635	570473065	/nfs/dbraw/zinc/47/30/65/570473065.db2.gz	GEIVRMGSIPNTKW-UHFFFAOYSA-N	2	0	356.535	4.245	40	0		FIABRP
CNc1cc(C[N@H+](C)CCC2=C(C)CCCC2(C)C)nc([C@@H]2CCC[NH2+]2)n1	ZINC000019760756	571327219	/nfs/dbraw/zinc/32/72/19/571327219.db2.gz	NFTXFLPREKVANC-IBGZPJMESA-N	2	0	371.573	4.291	40	0		FIABRP
Cc1nc2c(n1C(C)C)C[N@H+](Cc1cccc(C)c1)CC21CC[NH+](C)CC1	ZINC000306125862	223107253	/nfs/dbraw/zinc/10/72/53/223107253.db2.gz	DDYZIOCTXFNODW-UHFFFAOYSA-N	2	0	366.553	4.060	40	0		FIABRP
COc1ccccc1[C@@H](CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccco1	ZINC000013804696	220095718	/nfs/dbraw/zinc/09/57/18/220095718.db2.gz	IRQFLDPUVMQMKX-ONCXSQPRSA-N	2	0	356.510	4.129	40	0		FIABRP
COCC[NH+]1CCC2(C[C@H]([NH2+]Cc3ccc(C)s3)c3ccccc32)CC1	ZINC000096241445	222096662	/nfs/dbraw/zinc/09/66/62/222096662.db2.gz	NCSMWIOYNUCWSB-NRFANRHFSA-N	2	0	370.562	4.271	40	0		FIABRP
CN(Cc1ccc(C2=CC(C)(C)[NH2+]C(C)(C)C2)s1)C[C@@H]1CC[N@H+](C)C1	ZINC000019460841	220261288	/nfs/dbraw/zinc/26/12/88/220261288.db2.gz	FDLPYMZCFDMIMY-MRXNPFEDSA-N	2	0	361.599	4.066	40	0		FIABRP
COc1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cccs4)C3)CC2)cc1	ZINC000096046530	221997042	/nfs/dbraw/zinc/99/70/42/221997042.db2.gz	NQPVYIQEOLVJAL-UHFFFAOYSA-N	2	0	356.535	4.245	40	0		FIABRP
Fc1cccc(C[NH+]2CCC3(CC[NH+](Cc4ccncc4)CC3)CC2)c1	ZINC000096047238	570473169	/nfs/dbraw/zinc/47/31/69/570473169.db2.gz	AJUJPVYSWHTDMA-UHFFFAOYSA-N	2	0	353.485	4.099	40	0		FIABRP
COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)c1ccco1	ZINC000005478519	570960609	/nfs/dbraw/zinc/96/06/09/570960609.db2.gz	IRQFLDPUVMQMKX-UMGGQSCQSA-N	2	0	356.510	4.129	40	0		FIABRP
NC(=[NH2+])c1ccc(SCCCCCSc2ccc(C(N)=[NH2+])cc2)cc1	ZINC000001568060	219411458	/nfs/dbraw/zinc/41/14/58/219411458.db2.gz	KYWZKGWSTJUGKM-UHFFFAOYSA-N	2	0	372.563	4.309	40	0		FIABRP
Cc1nc2c(n1C(C)C)C[N@H+](C1CCC1)CC21CC[NH+](CC(C)C)CC1	ZINC000306144516	223114679	/nfs/dbraw/zinc/11/46/79/223114679.db2.gz	ZHMBPVYTPBDQMW-UHFFFAOYSA-N	2	0	358.574	4.130	40	0		FIABRP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1	ZINC000013756200	220093797	/nfs/dbraw/zinc/09/37/97/220093797.db2.gz	RTMYNEJVZJZFHI-DCLXLUIPSA-N	2	0	366.549	4.473	40	0		FIABRP
COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)c1ccco1	ZINC000013804705	220095834	/nfs/dbraw/zinc/09/58/34/220095834.db2.gz	IRQFLDPUVMQMKX-HNJRGHQBSA-N	2	0	356.510	4.129	40	0		FIABRP
COc1ccc(C[NH2+]CC[C@@]2(c3ccccc3)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1	ZINC000004785491	570669391	/nfs/dbraw/zinc/66/93/91/570669391.db2.gz	RTMYNEJVZJZFHI-YOSAUDMPSA-N	2	0	366.549	4.473	40	0		FIABRP
C[C@H](C[N@H+](C)Cc1c2cccnc2[nH]c1C1CC[NH2+]CC1)c1ccccc1	ZINC000019455967	220257491	/nfs/dbraw/zinc/25/74/91/220257491.db2.gz	PHSLQTAGDDKCRO-QGZVFWFLSA-N	2	0	362.521	4.265	40	0		FIABRP
Fc1cccc(C[NH+]2CCC3(CC[NH+](Cc4cccnc4)CC3)CC2)c1	ZINC000096047237	222000240	/nfs/dbraw/zinc/00/02/40/222000240.db2.gz	PQEYUDHWBZWMBE-UHFFFAOYSA-N	2	0	353.485	4.099	40	0		FIABRP
c1ccc(C[NH2+][C@@H]2CC[C@H]3S[C@@H]2CC[C@@H]3[NH2+]Cc2ccccc2)cc1	ZINC000020436193	570881249	/nfs/dbraw/zinc/88/12/49/570881249.db2.gz	LLRPUFMACFGFPY-CIAFKFPVSA-N	2	0	352.547	4.361	40	0		FIABRP
COc1ccccc1[C@H](CC[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)c1ccco1	ZINC000005478518	570960586	/nfs/dbraw/zinc/96/05/86/570960586.db2.gz	IRQFLDPUVMQMKX-JYBIWHBTSA-N	2	0	356.510	4.129	40	0		FIABRP
Cc1ccc(C[NH+]2CCC3(CC2)CC[NH+](Cc2ccccn2)CC3)s1	ZINC000096047200	570473231	/nfs/dbraw/zinc/47/32/31/570473231.db2.gz	XUTVVZWTKIKDQM-UHFFFAOYSA-N	2	0	355.551	4.330	40	0		FIABRP
Cc1cccc(C[NH+]2CCC3(CC2)C[N@H+](CC2CC2)Cc2ccccc23)n1	ZINC000096242615	222096603	/nfs/dbraw/zinc/09/66/03/222096603.db2.gz	NXNOWYPGFFMQOC-UHFFFAOYSA-N	2	0	361.533	4.149	40	0		FIABRP
CC(C)CC[N@@H+]1Cc2ccccc2C2(CC[NH+](C3CCOCC3)CC2)C1	ZINC000096242478	222096944	/nfs/dbraw/zinc/09/69/44/222096944.db2.gz	DVIAODMDSWJPJR-UHFFFAOYSA-N	2	0	356.554	4.061	40	0		FIABRP
C[NH2+]CCCNCc1c(OCc2ccccc2F)ccc2ccccc21	ZINC000008376925	570680670	/nfs/dbraw/zinc/68/06/70/570680670.db2.gz	QBFWBWBPFYJOJI-UHFFFAOYSA-N	2	0	352.453	4.257	40	0		FIABRP
C[C@@H](CC[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CC[NH+](C)C2)c1ccccc1	ZINC000248080453	571291073	/nfs/dbraw/zinc/29/10/73/571291073.db2.gz	PJJFJMCYGGLNNR-AVRDEDQJSA-N	2	0	364.537	4.185	40	0		FIABRP