smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN(C)n1c(=O)cc2n(c3cc(F)c(N4CC[NH2+]CC4)cc3n2C2CC2)c1=O	ZINC000013650484	210076476	/nfs/dbraw/zinc/07/64/76/210076476.db2.gz	VLKOOEGTXHTDKY-UHFFFAOYSA-N	1	0	386.431	0.497	1	0		GCAFRO
Cc1nsc(N2CCN(C(=O)[C@@H]3C[NH2+][C@H](C(=O)N4CCSC4)C3)CC2)n1	ZINC000029130377	204887542	/nfs/dbraw/zinc/88/75/42/204887542.db2.gz	IAVNDDPBDUGFJJ-STQMWFEESA-N	1	0	396.542	0.006	1	0		GCAFRO
Nc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CC[NH2+]CC3)CNC4=O)n2)cn1	ZINC000071332855	205282080	/nfs/dbraw/zinc/28/20/80/205282080.db2.gz	UEEGPWPCUKOTQB-UHFFFAOYSA-N	1	0	376.424	0.876	1	0		GCAFRO
CCOC(=O)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084065	211379115	/nfs/dbraw/zinc/37/91/15/211379115.db2.gz	VZWUEEMBFVEBOP-AHDJHLLFSA-N	1	0	388.461	0.299	1	0		GCAFRO
CC(C)(C)C(=O)N(CCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO)C1CC1	ZINC000095605043	211281848	/nfs/dbraw/zinc/28/18/48/211281848.db2.gz	NLWGXBIMKIVVNG-XMTFNYHQSA-N	1	0	386.533	0.343	1	0		GCAFRO
[NH3+][C@@H](CCC(=O)N1CCN(c2cccc(NC3=[NH+]CCCN3)c2)CC1)C(=O)[O-]	ZINC000095575483	136182235	/nfs/dbraw/zinc/18/22/35/136182235.db2.gz	OJHYKDQKZYZJQI-INIZCTEOSA-N	1	0	388.472	0.289	1	0		GCAFRO
O=c1cc(N2CC[NH2+]CC2)nc2n(CCN3CCOCC3)c3ccccc3n21	ZINC000095591088	136182384	/nfs/dbraw/zinc/18/23/84/136182384.db2.gz	WKPGKQGFMCFOMH-UHFFFAOYSA-N	1	0	382.468	0.391	1	0		GCAFRO
CC[C@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CC[NH2+]1	ZINC000064453461	536159863	/nfs/dbraw/zinc/15/98/63/536159863.db2.gz	CEJXJPIDMRXQSQ-JTQLQIEISA-N	1	0	377.420	0.548	1	0		GCAFRO
N[C@@H](CCCC[NH3+])c1nnc([C@H](CCC(=O)[O-])NC(=O)C2CC[NH2+]CC2)o1	ZINC000013478083	210063508	/nfs/dbraw/zinc/06/35/08/210063508.db2.gz	ARXLHJZBGROADR-STQMWFEESA-N	1	0	382.465	0.220	3	0		GCAFRO
CC(C)C[C@@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000036286718	209246491	/nfs/dbraw/zinc/24/64/91/209246491.db2.gz	PUZQCAIXBLYSBU-KEYYUXOJSA-N	1	0	392.500	0.434	1	0		GCAFRO
NS(=O)(=O)c1ccc(NC(=O)CCC[NH3+])c(I)c1	ZINC000039098053	205040427	/nfs/dbraw/zinc/04/04/27/205040427.db2.gz	JVUOSUIJSCFCAC-UHFFFAOYSA-N	1	0	383.211	0.616	1	0		GCAFRO
CCOC(=O)C[C@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084063	211379469	/nfs/dbraw/zinc/37/94/69/211379469.db2.gz	VZWUEEMBFVEBOP-YSZIICFESA-N	1	0	388.461	0.299	1	0		GCAFRO
O=C([C@@H]1C[C@H](N2CCN(c3nc4ccccc4[nH]3)CC2)C[NH2+]1)N1CCSC1	ZINC000084687265	211174135	/nfs/dbraw/zinc/17/41/35/211174135.db2.gz	TVLHLTARSTYOGC-YOEHRIQHSA-N	1	0	386.525	0.948	1	0		GCAFRO
CN1CC[NH2+]C[C@@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C	ZINC000023361061	210442392	/nfs/dbraw/zinc/44/23/92/210442392.db2.gz	AHOZQSJDGWQTGZ-CYBMUJFWSA-N	1	0	375.404	0.131	1	0		GCAFRO
C[C@H](O)[C@@](C)(O)C(=O)OC[C@H]1CC[N@@H+]2CC[C@@H](OC(=O)c3ccccc3O)[C@H]12	ZINC000069482424	291102101	/nfs/dbraw/zinc/10/21/01/291102101.db2.gz	HQNBAGWQDKKAMY-JGYLLYEHSA-N	1	0	393.436	0.687	1	0	biogenic,in-vitro	GCAFRO
COc1c(N2CC[C@@H]([C@H](C)[NH3+])C2)c(F)cc2c1n(C1CC1)c(=O)n(N)c2=O	ZINC000037858371	209245754	/nfs/dbraw/zinc/24/57/54/209245754.db2.gz	QBEKDHJCXXJSMG-VHSXEESVSA-N	1	0	377.420	0.533	1	0		GCAFRO
Cc1nn(C)c2c1nc(-c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1)[nH]c2=O	ZINC000028109797	204866242	/nfs/dbraw/zinc/86/62/42/204866242.db2.gz	VJMFZOZQSXGBBS-UHFFFAOYSA-N	1	0	390.469	0.472	1	0		GCAFRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@@H]1CCc2ccccc2C1	ZINC000064235790	205188372	/nfs/dbraw/zinc/18/83/72/205188372.db2.gz	LAADEPLURXEMDZ-ZZCKCESHSA-N	1	0	388.512	0.653	1	0		GCAFRO
CCn1c[n+]([C@@H]2O[C@H](CO)[C@@H](OC(C)C)[C@H]2OC(C)C)c2nc(N)[nH]c(=O)c21	ZINC000096904381	211351440	/nfs/dbraw/zinc/35/14/40/211351440.db2.gz	FKECPCDTFCIGMF-LSCFUAHRSA-O	1	0	396.468	0.091	1	0		GCAFRO
NC(=[NH2+])c1ccc(C(=O)N[C@@H](COc2cccc(C(N)=[NH2+])c2)CC(=O)[O-])cc1	ZINC000013518255	210065559	/nfs/dbraw/zinc/06/55/59/210065559.db2.gz	VIWWTRPXELSSKK-CQSZACIVSA-N	1	0	383.408	0.907	1	0		GCAFRO
[NH3+]CCCC[C@H](NC(=O)[C@@H]([NH3+])Cc1ccsc1)C(=O)N1CCC[C@H]1C(=O)[O-]	ZINC000040556720	205066974	/nfs/dbraw/zinc/06/69/74/205066974.db2.gz	JEMRVQYLVMUHQJ-KKUMJFAQSA-N	1	0	396.513	0.307	1	0		GCAFRO
Cc1cc(N2CCN(C(=O)[C@@H]3C[NH2+][C@H](C(=O)N4CCCC4)C3)CC2)sn1	ZINC000029130677	581092198	/nfs/dbraw/zinc/09/21/98/581092198.db2.gz	YGJXGPBQEVQQHA-GJZGRUSLSA-N	1	0	377.514	0.701	1	0		GCAFRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccs1	ZINC000014951827	581093976	/nfs/dbraw/zinc/09/39/76/581093976.db2.gz	OCEUKYZNIXMBLL-QEJZJMRPSA-N	1	0	380.514	0.843	1	0		GCAFRO
NC(=[NH2+])c1ccc(C[C@@H]([NH3+])C(=O)Nc2cccc(C(=O)NCCC(=O)[O-])c2)cc1	ZINC000013730661	210086572	/nfs/dbraw/zinc/08/65/72/210086572.db2.gz	BBTXJCGFPCHCFR-MRXNPFEDSA-N	1	0	397.435	0.684	1	0		GCAFRO
COc1ccc2c(c1OC)[C@@]13CC[N@H+](C)[C@@]14C[C@@H]2O[C@@]4(O)[C@@H](OC)[C@@H](O)C3	ZINC000095918759	291101698	/nfs/dbraw/zinc/10/16/98/291101698.db2.gz	WOGSBUNWOTVHQN-XTBWBWPPSA-N	1	0	377.437	0.959	1	0	biogenic,in-vitro	GCAFRO
CC(=O)NC[C@@H]1CC(c2ccc(N3CCN(C(=O)CO)CC3)c(F)c2)=[NH+]O1	ZINC000001489324	209330948	/nfs/dbraw/zinc/33/09/48/209330948.db2.gz	RFKHLOXCTWUEKQ-AWEZNQCLSA-N	1	0	378.404	0.096	1	0		GCAFRO
CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O	ZINC000028459945	210526787	/nfs/dbraw/zinc/52/67/87/210526787.db2.gz	QWLIXQAEMNLCQR-MHORFTMASA-N	1	0	386.496	0.924	1	0		GCAFRO
O=c1[nH]c(=O)n(CCCC[NH+]2CCN(c3ncccn3)CC2)c2c1CCCC2	ZINC000013860437	210094623	/nfs/dbraw/zinc/09/46/23/210094623.db2.gz	ZMYHFZAJCCTFDP-UHFFFAOYSA-N	1	0	384.484	0.808	1	0		GCAFRO
CC[N@@H+]1C[C@]2(C)CC[C@H](O)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@@H](OC)[C@H]2C[C@]4(O)[C@@H]1[C@H]2O	ZINC000085510590	291100773	/nfs/dbraw/zinc/10/07/73/291100773.db2.gz	PFSQFYVYGQKXRF-SOHCBZABSA-N	1	0	393.524	0.366	1	0	biogenic,in-vitro	GCAFRO
O=C1CN(Cc2cn(C3CC[NH+](C4CSCCSC4)CC3)nn2)CCN1	ZINC000023399477	204807283	/nfs/dbraw/zinc/80/72/83/204807283.db2.gz	GONKUAOWSJDBPN-UHFFFAOYSA-N	1	0	396.586	0.695	1	0		GCAFRO
COc1ccc(NC(=O)CNS(=O)(=O)c2cccc(C(N)=[NH2+])c2)cc1OC	ZINC000095564791	211276541	/nfs/dbraw/zinc/27/65/41/211276541.db2.gz	HQZPFXBTOHGJRH-UHFFFAOYSA-N	1	0	392.437	0.905	1	0		GCAFRO
NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)C[NH3+])cc2)c1	ZINC000013800463	210091831	/nfs/dbraw/zinc/09/18/31/210091831.db2.gz	ARKRQADAPHFWFT-UHFFFAOYSA-N	1	0	384.439	0.032	1	0		GCAFRO
CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(N(C)S(N)(=O)=O)c(C)cc1OC	ZINC000040466153	210788087	/nfs/dbraw/zinc/78/80/87/210788087.db2.gz	CEFBFXCEPYASMH-ZDUSSCGKSA-N	1	0	384.502	0.857	1	0		GCAFRO
CC(=O)Nn1c(=O)c2cc(F)c(N3CC[C@@H]([NH3+])C3)c(Cl)c2n(C2CC2)c1=O	ZINC000028884703	210536771	/nfs/dbraw/zinc/53/67/71/210536771.db2.gz	WDBQSNSPKVQGLY-SECBINFHSA-N	1	0	395.822	0.918	1	0		GCAFRO
CC[C@@H]1CN(c2c(F)cc3c(=O)n(N)c(=O)n(C4CC4)c3c2OC)CC[NH2+]1	ZINC000064453460	136156799	/nfs/dbraw/zinc/15/67/99/136156799.db2.gz	CEJXJPIDMRXQSQ-SNVBAGLBSA-N	1	0	377.420	0.548	1	0		GCAFRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1	ZINC000014951837	209235107	/nfs/dbraw/zinc/23/51/07/209235107.db2.gz	ZVSVRPUZPIDLBB-SZMVWBNQSA-N	1	0	388.512	0.824	1	0		GCAFRO
O=C([C@H]1CCC2(CCN(c3ncnc4nc[nH]c43)CC2)[NH2+]C1)N1CCOCC1	ZINC000096911007	136187852	/nfs/dbraw/zinc/18/78/52/136187852.db2.gz	JXAQJMJGGVSLQP-AWEZNQCLSA-N	1	0	385.472	0.550	1	0		GCAFRO
COc1ccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2C[N@@H+]2CC[C@@H](O)C2)cc1	ZINC000026282791	207311632	/nfs/dbraw/zinc/31/16/32/207311632.db2.gz	KPROYTOCROSGBH-ZWKOTPCHSA-N	1	0	375.469	0.364	1	0		GCAFRO
NC1=NON[C@@H]1N1N=N[C@H](c2nc(-c3ccncc3)n[nH]2)[C@@H]1C[NH+]1CCCCC1	ZINC000028529682	207343906	/nfs/dbraw/zinc/34/39/06/207343906.db2.gz	QOSJHIAXUCUPLN-GDZNZVCISA-N	1	0	397.447	0.578	1	0		GCAFRO
CCN(CC)c1nc2nc(SCC(=O)NCCNC(N)=[NH2+])[nH]c2c(C)n1	ZINC000028639778	207344620	/nfs/dbraw/zinc/34/46/20/207344620.db2.gz	DVZZNEALFSVUCT-UHFFFAOYSA-N	1	0	379.494	0.199	1	0		GCAFRO
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=O)C[NH3+])cc2)cc1	ZINC000013800461	221288979	/nfs/dbraw/zinc/28/89/79/221288979.db2.gz	CPMVWEHWZXUYFV-UHFFFAOYSA-N	1	0	384.439	0.032	1	0		GCAFRO
[NH3+][C@H]1CN(c2cc(N3CCc4nocc4C3)ncn2)C[C@@H]1N1CCCCC1=O	ZINC000066078726	136164319	/nfs/dbraw/zinc/16/43/19/136164319.db2.gz	FMEOYYNNCIVCTM-HOCLYGCPSA-N	1	0	383.456	0.556	1	0		GCAFRO
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N[C@@H](C)C(=O)N[C@H]1CCc2ccccc2C1	ZINC000064235792	222070893	/nfs/dbraw/zinc/07/08/93/222070893.db2.gz	LAADEPLURXEMDZ-USJZOSNVSA-N	1	0	388.512	0.653	1	0		GCAFRO
CCCCNc1nc2c([nH]c(=O)n2Cc2ccc(OCC[NH2+]C)nc2)c(N)n1	ZINC000095596813	222357988	/nfs/dbraw/zinc/35/79/88/222357988.db2.gz	YWUQGJUAXOGFOV-UHFFFAOYSA-N	1	0	386.460	0.955	1	0		GCAFRO
C[C@H](O)[C@](C)(O)C(=O)OC[C@@H]1CC[N@@H+]2CC[C@@H](OC(=O)Cc3ccccc3)[C@@H]12	ZINC000014556518	291102098	/nfs/dbraw/zinc/10/20/98/291102098.db2.gz	ZIZWTEQHLVZFMT-RCJOQXLUSA-N	1	0	391.464	0.910	1	0	biogenic,in-vitro	GCAFRO
NC1=NON[C@H]1N1N=N[C@@H](c2nc(-c3ccncc3)n[nH]2)[C@@H]1C[NH+]1CCCCC1	ZINC000028529684	207343791	/nfs/dbraw/zinc/34/37/91/207343791.db2.gz	QOSJHIAXUCUPLN-AHIWAGSCSA-N	1	0	397.447	0.578	1	0		GCAFRO
Nn1c(=O)c2cc(F)c(N3CC[C@H]([NH3+])C3)c(C(F)(F)F)c2n(C2CC2)c1=O	ZINC000028884494	207351581	/nfs/dbraw/zinc/35/15/81/207351581.db2.gz	CJRKVMLQVFDFFX-ZETCQYMHSA-N	1	0	387.337	0.907	1	0		GCAFRO
COc1ccc(S(=O)(=O)NCC(=O)Nc2cccc(C(N)=[NH2+])c2)cc1OC	ZINC000095566014	208234514	/nfs/dbraw/zinc/23/45/14/208234514.db2.gz	INMKACAQENKUAH-UHFFFAOYSA-N	1	0	392.437	0.905	1	0		GCAFRO
O=C([C@@H]1CCC2(CCN(c3ncnc4nc[nH]c43)CC2)[NH2+]C1)N1CCOCC1	ZINC000096911008	136187809	/nfs/dbraw/zinc/18/78/09/136187809.db2.gz	JXAQJMJGGVSLQP-CQSZACIVSA-N	1	0	385.472	0.550	1	0		GCAFRO
Cc1csc(N2CCN(C(=O)[C@@H]3C[NH2+][C@H](C(=O)N4CCCC4)C3)CC2)n1	ZINC000029130817	581092181	/nfs/dbraw/zinc/09/21/81/581092181.db2.gz	QOKSEPRQIMJQDD-GJZGRUSLSA-N	1	0	377.514	0.701	1	0		GCAFRO
CC[C@@H]1[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CC[N@@H+]3C)[C@@H](O5)[C@H](O)C1(CO)CO	ZINC000027769158	207329784	/nfs/dbraw/zinc/32/97/84/207329784.db2.gz	OBPWHNLGAFEGNB-DWNHGRFWSA-N	1	0	389.492	0.942	1	0		GCAFRO
COC(=O)[C@H](Cc1ccc(OC(C)=O)c(OC(C)=O)c1)NC(=O)C(C)(C)[NH3+]	ZINC000096937353	208331872	/nfs/dbraw/zinc/33/18/72/208331872.db2.gz	WBWPMSUWZHHWIA-ZDUSSCGKSA-N	1	0	380.397	0.475	1	0		GCAFRO
COc1c(N2C[C@@H]3CCC[NH2+][C@@H]3C2)c(F)cc2c(=O)n(N)c(=O)n(C3CC3)c21	ZINC000064453463	222070408	/nfs/dbraw/zinc/07/04/08/222070408.db2.gz	AYRUKZJSSACMMP-IINYFYTJSA-N	1	0	389.431	0.548	1	0		GCAFRO
CC1(C)O[C@H]2O[C@H](COC[C@H](O)C[NH+]3CCCC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	ZINC000026979044	207321052	/nfs/dbraw/zinc/32/10/52/207321052.db2.gz	VBQPGZKCLGMWGO-KOWPAETKSA-N	1	0	387.473	0.856	1	0		GCAFRO
CCOC(=O)C[C@@H](NC(=O)[C@@H]([NH3+])C(C)C)[C@@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084066	208366594	/nfs/dbraw/zinc/36/65/94/208366594.db2.gz	VZWUEEMBFVEBOP-NOVZSBSESA-N	1	0	388.461	0.299	1	0		GCAFRO
Cc1oc2ncn(CC(C)C)c(=O)c2c1C(=O)NCCN1CC[NH+](C)CC1	ZINC000065329715	222122896	/nfs/dbraw/zinc/12/28/96/222122896.db2.gz	NANXAQVNXSMRSA-UHFFFAOYSA-N	1	0	375.473	0.931	1	0		GCAFRO
[NH3+]CCN1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1	ZINC000022919323	207265427	/nfs/dbraw/zinc/26/54/27/207265427.db2.gz	BGBFZLZJWJZOCZ-UHFFFAOYSA-N	1	0	380.452	0.888	3	0		GCAFRO
[NH3+]CC(=O)N1CCN(C(=O)[C@](O)(c2ccccc2)[C@@H]2CCC(F)(F)C2)CC1	ZINC000013534244	221272077	/nfs/dbraw/zinc/27/20/77/221272077.db2.gz	UKMOUADRKGHLMZ-BEFAXECRSA-N	1	0	381.423	0.939	1	0		GCAFRO
CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NC[C@H]3CC[NH2+]C3)n2)c1	ZINC000084635753	222318181	/nfs/dbraw/zinc/31/81/81/222318181.db2.gz	DAFQDJRRSBQVLT-NSHDSACASA-N	1	0	390.469	0.437	1	0		GCAFRO
CC1(C)O[C@H]2O[C@H](COC[C@@H](O)C[NH+]3CCCC3)[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O1	ZINC000026979027	207320403	/nfs/dbraw/zinc/32/04/03/207320403.db2.gz	VBQPGZKCLGMWGO-RHJCGQNESA-N	1	0	387.473	0.856	1	0		GCAFRO
COc1cccc(CC(=O)N2CCN(C(C)=O)C[C@@H]2C[N@@H+]2CC[C@H](O)C2)c1	ZINC000026286815	207311926	/nfs/dbraw/zinc/31/19/26/207311926.db2.gz	HVIIWHNRMPBXJH-ROUUACIJSA-N	1	0	375.469	0.364	1	0		GCAFRO
CC(=O)N1CCN(C(=O)Cc2cc(F)cc(F)c2)[C@H](C[N@@H+]2CC[C@@H](O)C2)C1	ZINC000026290764	207312347	/nfs/dbraw/zinc/31/23/47/207312347.db2.gz	WLZKXQIQNDDGFA-QZTJIDSGSA-N	1	0	381.423	0.633	1	0		GCAFRO
Cc1cnc(N2CCN(C(=O)[C@@H]3C[NH2+][C@H](C(=O)N4CCCC4)C3)CC2)s1	ZINC000029130679	207355991	/nfs/dbraw/zinc/35/59/91/207355991.db2.gz	AKQDDAGZOVUBQR-GJZGRUSLSA-N	1	0	377.514	0.701	1	0		GCAFRO
CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NC[C@@H]3CC[NH2+]C3)n2)c1	ZINC000084635751	222317630	/nfs/dbraw/zinc/31/76/30/222317630.db2.gz	DAFQDJRRSBQVLT-LLVKDONJSA-N	1	0	390.469	0.437	1	0		GCAFRO
CC(C)C[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(O)cc1	ZINC000036286722	212160109	/nfs/dbraw/zinc/16/01/09/212160109.db2.gz	PUZQCAIXBLYSBU-ZQIUZPCESA-N	1	0	392.500	0.434	1	0		GCAFRO
CCC[NH+]1CCN(CCCNC(=O)c2cc(CN3CCOCC3)on2)CC1	ZINC000020995775	207222735	/nfs/dbraw/zinc/22/27/35/207222735.db2.gz	KBCRKHJGDYLETA-UHFFFAOYSA-N	1	0	379.505	0.654	1	0		GCAFRO
CC(C)n1c2cc(N)c(F)cc2n(C(=O)NCCN2CC[NH+](C)CC2)c1=O	ZINC000022939373	207267407	/nfs/dbraw/zinc/26/74/07/207267407.db2.gz	PTNZPCZNDRLIPS-UHFFFAOYSA-N	1	0	378.452	0.910	1	0		GCAFRO
COc1ccc2c3c1O[C@H]1[C@H](O)C(CO)(CO)[C@H](C)[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314	ZINC000027842353	207331910	/nfs/dbraw/zinc/33/19/10/207331910.db2.gz	SVRGWROXHDAVSN-HIGOZJKUSA-N	1	0	375.465	0.552	1	0		GCAFRO
CCOC(=O)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)[C@H]1O[C@H]2OC(C)(C)O[C@H]2[C@@H]1OC	ZINC000098084059	208367613	/nfs/dbraw/zinc/36/76/13/208367613.db2.gz	IJMHYLUDNWVNQH-WENQQOBGSA-N	1	0	386.445	0.068	1	0		GCAFRO
CC(=O)NC[C@H]1CN(c2ccc([C@@H]3[C@H]4CN(C(N)=[NH2+])C[C@H]43)c(F)c2)C(=O)O1	ZINC000101039014	208386177	/nfs/dbraw/zinc/38/61/77/208386177.db2.gz	BCGORPZLCHXYJW-YYWXWVFPSA-N	1	0	375.404	0.826	1	0		GCAFRO
CS(=O)(=O)Nc1cccc(-c2cnc(N)c(C(=O)NC3CC[NH2+]CC3)n2)c1	ZINC000084635761	222318556	/nfs/dbraw/zinc/31/85/56/222318556.db2.gz	MUYSRCLSIJBUSX-UHFFFAOYSA-N	1	0	390.469	0.579	1	0		GCAFRO
CCCCC[C@H](C[C@@H](O)NO)[C@@H](O)[NH2+][C@@H](C(C)C)[C@@H](O)N1CCC[C@@H]1CO	ZINC000027428472	517558810	/nfs/dbraw/zinc/55/88/10/517558810.db2.gz	AZKGCXCHQXZSHC-WVXCVLBUSA-N	1	0	391.553	0.578	1	0		GCAFRO