smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(Cn1cc(I)c(=O)[n-]c1=O)N1CCOCC1	ZINC000001350605	206148356	/nfs/dbraw/zinc/14/83/56/206148356.db2.gz	WCNOAENQAPWOCN-UHFFFAOYSA-N	-1	3	365.127	-1.000	40	0		FBABHM
N[C@@H]1[C@H]2[C@@H]3C[C@H]4[N@@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@@H]2CC(=O)[O-]	ZINC000001719139	210368397	/nfs/dbraw/zinc/36/83/97/210368397.db2.gz	SAYFSSIFBPEQHK-WYFDUULTSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
N[C@@H]1[C@H]2[C@@H]3C[C@H]4[N@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@@H]2CC(=O)[O-]	ZINC000001719139	210368390	/nfs/dbraw/zinc/36/83/90/210368390.db2.gz	SAYFSSIFBPEQHK-WYFDUULTSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
[NH3+][C@@H]1[C@H]2[C@@H]3C[C@H]4N(CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@@H]2CC(=O)[O-]	ZINC000001719139	210368389	/nfs/dbraw/zinc/36/83/89/210368389.db2.gz	SAYFSSIFBPEQHK-WYFDUULTSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
CSCC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)[O-]	ZINC000002391051	210395512	/nfs/dbraw/zinc/39/55/12/210395512.db2.gz	KRLKICLNEICJGV-STQMWFEESA-N	-1	3	353.444	-0.005	40	0		FBABHM
CO[C@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)[N-]C(=O)[C@]1(F)Br	ZINC000004896654	207059779	/nfs/dbraw/zinc/05/97/79/207059779.db2.gz	JXBABPBZPSKYSI-QLDOIRPZSA-N	-1	3	357.132	-0.120	40	0		FBABHM
CO[C@@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)[N-]C(=O)[C@]1(F)Br	ZINC000004896655	483412788	/nfs/dbraw/zinc/41/27/88/483412788.db2.gz	JXBABPBZPSKYSI-AYBDFVJYSA-N	-1	3	357.132	-0.120	40	0		FBABHM
CO[C@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)[N-]C(=O)[C@@]1(F)Br	ZINC000004896656	207060005	/nfs/dbraw/zinc/06/00/05/207060005.db2.gz	JXBABPBZPSKYSI-KYNFRCMISA-N	-1	3	357.132	-0.120	40	0		FBABHM
CO[C@@H]1N([C@@H]2C[C@H](O)[C@H](CO)O2)C(=O)[N-]C(=O)[C@@]1(F)Br	ZINC000004896657	207059746	/nfs/dbraw/zinc/05/97/46/207059746.db2.gz	JXBABPBZPSKYSI-OWXHTLTRSA-N	-1	3	357.132	-0.120	40	0		FBABHM
CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000004899612	204174464	/nfs/dbraw/zinc/17/44/64/204174464.db2.gz	FMYLZGQFKPHXHI-GUBZILKMSA-N	-1	3	351.494	-0.106	40	0		FBABHM
[O-]N=c1nc[nH]c2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004962534	483413712	/nfs/dbraw/zinc/41/37/12/483413712.db2.gz	VZHZLQSYTLUDQR-POYYFJLXSA-N	-1	3	361.152	-0.394	40	0		FBABHM
[O-]N=c1nc[nH]c2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000004962535	483413494	/nfs/dbraw/zinc/41/34/94/483413494.db2.gz	VZHZLQSYTLUDQR-TXRROPDSSA-N	-1	3	361.152	-0.394	40	0		FBABHM
N[C@@H]1[C@H]2[C@@H]3C[C@H]4[N@@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@H]2CC(=O)[O-]	ZINC000004962956	483413513	/nfs/dbraw/zinc/41/35/13/483413513.db2.gz	SAYFSSIFBPEQHK-MXGBFXNYSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
N[C@@H]1[C@H]2[C@@H]3C[C@H]4[N@H+](CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@H]2CC(=O)[O-]	ZINC000004962956	483413511	/nfs/dbraw/zinc/41/35/11/483413511.db2.gz	SAYFSSIFBPEQHK-MXGBFXNYSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
[NH3+][C@@H]1[C@H]2[C@@H]3C[C@H]4N(CC[C@]41C(=O)C(=O)[O-])CC3=CCO[C@H]2CC(=O)[O-]	ZINC000004962956	483413509	/nfs/dbraw/zinc/41/35/09/483413509.db2.gz	SAYFSSIFBPEQHK-MXGBFXNYSA-N	-1	3	350.371	-0.522	40	0	in-vitro	FBABHM
COc1ccc([N-]S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC	ZINC000005055882	483414106	/nfs/dbraw/zinc/41/41/06/483414106.db2.gz	KVCFVMUSQMYWCP-UHFFFAOYSA-N	-1	3	355.372	-0.098	40	0		FBABHM
CCCC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000005368453	207097604	/nfs/dbraw/zinc/09/76/04/207097604.db2.gz	VTHCVIXENYOZQB-JNDCGWKKSA-N	-1	3	357.432	-0.589	40	0		FBABHM
CCCC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000005368454	204205549	/nfs/dbraw/zinc/20/55/49/204205549.db2.gz	VTHCVIXENYOZQB-TXGHASDRSA-N	-1	3	357.432	-0.589	40	0		FBABHM
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)CC(=O)[O-]	ZINC000005829056	204227247	/nfs/dbraw/zinc/22/72/47/204227247.db2.gz	LIHWOYDKVVINNO-CHWSQXEVSA-N	-1	3	365.386	-0.805	40	0		FBABHM
CCOC(=O)CNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000005829059	207119161	/nfs/dbraw/zinc/11/91/61/207119161.db2.gz	LIHWOYDKVVINNO-QWHCGFSZSA-N	-1	3	365.386	-0.805	40	0		FBABHM
CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](N)CC(=O)[O-]	ZINC000005829076	219701082	/nfs/dbraw/zinc/70/10/82/219701082.db2.gz	LIHWOYDKVVINNO-OLZOCXBDSA-N	-1	3	365.386	-0.805	40	0		FBABHM
CCOC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-]	ZINC000005829078	483416859	/nfs/dbraw/zinc/41/68/59/483416859.db2.gz	LIHWOYDKVVINNO-STQMWFEESA-N	-1	3	365.386	-0.805	40	0		FBABHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@H]1O	ZINC000009209178	484682889	/nfs/dbraw/zinc/68/28/89/484682889.db2.gz	MVFAUQAGTQMVFP-MZXFEWSRSA-N	-1	3	373.369	-0.657	40	0		FBABHM
Cc1ccc(Nc2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)cc1	ZINC000012082296	484783278	/nfs/dbraw/zinc/78/32/78/484783278.db2.gz	OBUBJKZOBHJFEY-YGSHXTJESA-N	-1	3	373.369	-0.217	40	0		FBABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CN1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C1=O)C2	ZINC000012143180	483453985	/nfs/dbraw/zinc/45/39/85/483453985.db2.gz	RMCRJDJOXFLGIJ-CJXOWJITSA-N	-1	3	370.409	-0.006	40	0		FBABHM
Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CN1C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C1=O)C2	ZINC000012143181	483454016	/nfs/dbraw/zinc/45/40/16/483454016.db2.gz	RMCRJDJOXFLGIJ-OJXGSEEGSA-N	-1	3	370.409	-0.006	40	0		FBABHM
CSCC[C@@H](NC(=O)[C@@H](N)CCSC)C(=O)N[C@@H](C)C(=O)[O-]	ZINC000013541721	207464835	/nfs/dbraw/zinc/46/48/35/207464835.db2.gz	FMYLZGQFKPHXHI-LPEHRKFASA-N	-1	3	351.494	-0.106	40	0		FBABHM
COc1ccc([C@@H](c2c(N)[nH]c(=O)[n-]c2=O)c2c(N)[nH]c(=O)[nH]c2=O)cc1	ZINC000016216408	220181607	/nfs/dbraw/zinc/18/16/07/220181607.db2.gz	BRKVGUFUVUVIGV-UHFFFAOYSA-N	-1	3	372.341	-0.382	40	0		FBABHM
COc1ccc([C@H](c2c(N)[nH]c(=O)[n-]c2=O)c2c(N)[nH]c(=O)[nH]c2=O)cc1	ZINC000016216408	220181605	/nfs/dbraw/zinc/18/16/05/220181605.db2.gz	BRKVGUFUVUVIGV-UHFFFAOYSA-N	-1	3	372.341	-0.382	40	0		FBABHM
O=c1[n-]cnc2c1nc(NCc1ccccc1)n2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000016480200	220185118	/nfs/dbraw/zinc/18/51/18/220185118.db2.gz	MVFAUQAGTQMVFP-YPHNTLSLSA-N	-1	3	373.369	-0.657	40	0		FBABHM
CCCC[S@@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000017047675	220201040	/nfs/dbraw/zinc/20/10/40/220201040.db2.gz	VTHCVIXENYOZQB-WGIHBYKOSA-N	-1	3	357.432	-0.589	40	0		FBABHM
CCCC[S@](=O)C[C@@H](CO)NC(=O)C=Cc1c(C)[nH]c(=O)[n-]c1=O	ZINC000017047677	483481305	/nfs/dbraw/zinc/48/13/05/483481305.db2.gz	VTHCVIXENYOZQB-CFVSHZOBSA-N	-1	3	357.432	-0.589	40	0		FBABHM
[O-]N=c1nc[nH]c2c1c(Br)cn2[C@@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000017419747	483482559	/nfs/dbraw/zinc/48/25/59/483482559.db2.gz	VZHZLQSYTLUDQR-IZCITBFLSA-N	-1	3	361.152	-0.394	40	0		FBABHM
[O-]N=c1nc[nH]c2c1c(Br)cn2[C@H]1O[C@@H](CO)[C@@H](O)[C@@H]1O	ZINC000017419753	483483265	/nfs/dbraw/zinc/48/32/65/483483265.db2.gz	VZHZLQSYTLUDQR-YRCUVVFSSA-N	-1	3	361.152	-0.394	40	0		FBABHM
CCC(=O)N1CC[C@@H](c2nc3c(c(=O)[n-]2)CCN(S(C)(=O)=O)C3)C1	ZINC000019498514	220262701	/nfs/dbraw/zinc/26/27/01/220262701.db2.gz	NDJHBLPDNYVNOB-SNVBAGLBSA-N	-1	3	354.432	-0.187	40	0		FBABHM
CCC(=O)N1CC[C@H](c2nc3c(c(=O)[n-]2)CCN(S(C)(=O)=O)C3)C1	ZINC000019498515	220264383	/nfs/dbraw/zinc/26/43/83/220264383.db2.gz	NDJHBLPDNYVNOB-JTQLQIEISA-N	-1	3	354.432	-0.187	40	0		FBABHM
Cc1cc(C)n(C)c(=O)c1C(=O)NCc1cc(=O)[n-]c(N2CCOCC2)n1	ZINC000019572277	483487067	/nfs/dbraw/zinc/48/70/67/483487067.db2.gz	HMDAVLABLZTOEL-UHFFFAOYSA-N	-1	3	373.413	-0.148	40	0		FBABHM
O=S(=O)([N-]C[C@H]1O[C@@H](CO)[C@@H](O)[C@H]1N1CCCC1)c1cccs1	ZINC000020465019	527227979	/nfs/dbraw/zinc/22/79/79/527227979.db2.gz	UGAXFJLTXOMNFW-UVLXDEKHSA-N	-1	3	362.473	-0.389	40	0	biogenic,in-vitro	FBABHM
CC(C)(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@@H]1O	ZINC000030835859	483894113	/nfs/dbraw/zinc/89/41/13/483894113.db2.gz	KLHDQKZATPWXHO-ZLGIUQBVSA-N	-1	3	352.347	-0.672	40	0		FBABHM
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@@H]1O	ZINC000030835862	483894023	/nfs/dbraw/zinc/89/40/23/483894023.db2.gz	KLHDQKZATPWXHO-SQFXPHBZSA-N	-1	3	352.347	-0.672	40	0		FBABHM
CC(C)(C)C(=O)OC[C@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@H]1O	ZINC000036644242	208170135	/nfs/dbraw/zinc/17/01/35/208170135.db2.gz	KLHDQKZATPWXHO-ZRPKBAQZSA-N	-1	3	352.347	-0.672	40	0		FBABHM
CC(C)(C)C(=O)OC[C@@H]1O[C@@H](n2cnc3c2nc[n-]c3=O)[C@@H](O)[C@H]1O	ZINC000036644243	483583270	/nfs/dbraw/zinc/58/32/70/483583270.db2.gz	KLHDQKZATPWXHO-OEINEHKASA-N	-1	3	352.347	-0.672	40	0		FBABHM
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000039814938	483891605	/nfs/dbraw/zinc/89/16/05/483891605.db2.gz	LNJLOZYNZFGJMM-CABNGKKXSA-N	-1	3	365.434	-0.114	40	0		FBABHM
CC[C@@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]1C(=O)[O-]	ZINC000039814938	483891601	/nfs/dbraw/zinc/89/16/01/483891601.db2.gz	LNJLOZYNZFGJMM-CABNGKKXSA-N	-1	3	365.434	-0.114	40	0		FBABHM
COc1cc(S(=O)(=O)[N-]C(CO)(CO)CO)c(OC)cc1Cl	ZINC000054363396	205200520	/nfs/dbraw/zinc/20/05/20/205200520.db2.gz	UIMDGJOWJBUMMU-UHFFFAOYSA-N	-1	3	355.796	-0.649	40	0		FBABHM
COc1ccc(Br)cc1S(=O)(=O)[N-]C(CO)(CO)CO	ZINC000054363397	206336142	/nfs/dbraw/zinc/33/61/42/206336142.db2.gz	JSRMWBAXRBSNCW-UHFFFAOYSA-N	-1	3	370.221	-0.548	40	0		FBABHM
CS(=O)(=O)c1c[n-]nc1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369544	571184672	/nfs/dbraw/zinc/18/46/72/571184672.db2.gz	GXUVHUNSDRISFI-GFCCVEGCSA-N	-1	3	356.448	-0.149	40	0		FBABHM
CS(=O)(=O)c1cn[n-]c1[C@@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369544	571184669	/nfs/dbraw/zinc/18/46/69/571184669.db2.gz	GXUVHUNSDRISFI-GFCCVEGCSA-N	-1	3	356.448	-0.149	40	0		FBABHM
CS(=O)(=O)c1c[n-]nc1[C@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369545	571184803	/nfs/dbraw/zinc/18/48/03/571184803.db2.gz	GXUVHUNSDRISFI-LBPRGKRZSA-N	-1	3	356.448	-0.149	40	0		FBABHM
CS(=O)(=O)c1cn[n-]c1[C@H]1CCCN(CC(=O)N2CCOCC2)C1	ZINC000072369545	571184801	/nfs/dbraw/zinc/18/48/01/571184801.db2.gz	GXUVHUNSDRISFI-LBPRGKRZSA-N	-1	3	356.448	-0.149	40	0		FBABHM
CCOC(=O)C(=O)C(C(=O)c1ccccn1)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247233	484503731	/nfs/dbraw/zinc/50/37/31/484503731.db2.gz	GUVNQQTUFOTJKJ-QMMMGPOBSA-N	-1	3	356.298	-0.387	40	0		FBABHM
CCOC(=O)C(=O)C(C(=O)c1ccccn1)=c1[n-]c2nnc(N)n2c1=O	ZINC000104247239	484504207	/nfs/dbraw/zinc/50/42/07/484504207.db2.gz	GUVNQQTUFOTJKJ-MRVPVSSYSA-N	-1	3	356.298	-0.387	40	0		FBABHM
Cc1ccc(Nc2nc3c(nc[n-]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1	ZINC000106775811	206312507	/nfs/dbraw/zinc/31/25/07/206312507.db2.gz	OBUBJKZOBHJFEY-XNIJJKJLSA-N	-1	3	373.369	-0.217	40	0		FBABHM
Cc1nccn1CC(=O)N1CCOC[C@@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257213386	484265185	/nfs/dbraw/zinc/26/51/85/484265185.db2.gz	CHIYWBPVCQBLIK-LLVKDONJSA-N	-1	3	353.404	-0.082	40	0		FBABHM
Cc1nccn1CC(=O)N1CCOC[C@@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257213386	484265178	/nfs/dbraw/zinc/26/51/78/484265178.db2.gz	CHIYWBPVCQBLIK-LLVKDONJSA-N	-1	3	353.404	-0.082	40	0		FBABHM
Cc1nccn1CC(=O)N1CCOC[C@H]1c1n[n-]cc1S(C)(=O)=O	ZINC000257213387	484264650	/nfs/dbraw/zinc/26/46/50/484264650.db2.gz	CHIYWBPVCQBLIK-NSHDSACASA-N	-1	3	353.404	-0.082	40	0		FBABHM
Cc1nccn1CC(=O)N1CCOC[C@H]1c1[n-]ncc1S(C)(=O)=O	ZINC000257213387	484264643	/nfs/dbraw/zinc/26/46/43/484264643.db2.gz	CHIYWBPVCQBLIK-NSHDSACASA-N	-1	3	353.404	-0.082	40	0		FBABHM
O=C(NC[C@@]1(O)COCCN(C(=O)c2ccc([O-])cc2)C1)c1ccn[nH]1	ZINC000257221076	534616103	/nfs/dbraw/zinc/61/61/03/534616103.db2.gz	DNJXTHOYVAIHLP-KRWDZBQOSA-N	-1	3	360.370	-0.251	40	0		FBABHM
O=C(NC[C@]1(O)COCCN(C(=O)c2ccc([O-])cc2)C1)c1ccn[nH]1	ZINC000257221077	484264598	/nfs/dbraw/zinc/26/45/98/484264598.db2.gz	DNJXTHOYVAIHLP-QGZVFWFLSA-N	-1	3	360.370	-0.251	40	0		FBABHM
O=C1CN([C@@H]2CC[C@@H]([N-]S(=O)(=O)c3ccccc3F)[C@H]2O)CCN1	ZINC000257234751	534776558	/nfs/dbraw/zinc/77/65/58/534776558.db2.gz	GUXSAWFXVCKHCT-LALPHHSUSA-N	-1	3	357.407	-0.572	40	0		FBABHM
O=C(N[C@@H]1CC[C@@H](n2cc(F)c(=O)[n-]c2=O)[C@@H](O)[C@@H]1O)c1ccccc1	ZINC000257237864	206605267	/nfs/dbraw/zinc/60/52/67/206605267.db2.gz	HINOIQNGYUEOHU-AAVRWANBSA-N	-1	3	363.345	-0.057	40	0		FBABHM
O=c1cc(CC[C@@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc[n-]1	ZINC000257246025	484264834	/nfs/dbraw/zinc/26/48/34/484264834.db2.gz	ISCPVVIRHBHTJF-CYBMUJFWSA-N	-1	3	358.420	-0.607	40	0		FBABHM
O=c1cc(CC[C@H]2CN(S(=O)(=O)N3CCOCC3)CCO2)nc[n-]1	ZINC000257246026	484264426	/nfs/dbraw/zinc/26/44/26/484264426.db2.gz	ISCPVVIRHBHTJF-ZDUSSCGKSA-N	-1	3	358.420	-0.607	40	0		FBABHM
CN(C)S(=O)(=O)N1CCC[C@@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257260852	223041813	/nfs/dbraw/zinc/04/18/13/223041813.db2.gz	LESPWKPOMISFJG-JTQLQIEISA-N	-1	3	350.466	-0.126	40	0		FBABHM
CN(C)S(=O)(=O)N1CCC[C@@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257260852	223041810	/nfs/dbraw/zinc/04/18/10/223041810.db2.gz	LESPWKPOMISFJG-JTQLQIEISA-N	-1	3	350.466	-0.126	40	0		FBABHM
CN(C)S(=O)(=O)N1CCC[C@H](Cc2n[n-]cc2S(C)(=O)=O)C1	ZINC000257260853	484265785	/nfs/dbraw/zinc/26/57/85/484265785.db2.gz	LESPWKPOMISFJG-SNVBAGLBSA-N	-1	3	350.466	-0.126	40	0		FBABHM
CN(C)S(=O)(=O)N1CCC[C@H](Cc2[n-]ncc2S(C)(=O)=O)C1	ZINC000257260853	484265780	/nfs/dbraw/zinc/26/57/80/484265780.db2.gz	LESPWKPOMISFJG-SNVBAGLBSA-N	-1	3	350.466	-0.126	40	0		FBABHM
Cn1cnc(S(=O)(=O)[N-]C[C@@]2(O)CCCN(c3ncccn3)C2)c1	ZINC000257291534	132296801	/nfs/dbraw/zinc/29/68/01/132296801.db2.gz	QHJYQWSBUBCJJL-AWEZNQCLSA-N	-1	3	352.420	-0.480	40	0		FBABHM
Cn1cnc(S(=O)(=O)[N-]C[C@]2(O)CCCN(c3ncccn3)C2)c1	ZINC000257291535	132296808	/nfs/dbraw/zinc/29/68/08/132296808.db2.gz	QHJYQWSBUBCJJL-CQSZACIVSA-N	-1	3	352.420	-0.480	40	0		FBABHM
Cn1cnc(S(=O)(=O)[N-]C[C@@]2(O)CCN(c3ccc(F)cn3)C2)c1	ZINC000257295504	223055125	/nfs/dbraw/zinc/05/51/25/223055125.db2.gz	QYOVPMJHNFAPFP-AWEZNQCLSA-N	-1	3	355.395	-0.126	40	0		FBABHM
Cn1cnc(S(=O)(=O)[N-]C[C@]2(O)CCN(c3ccc(F)cn3)C2)c1	ZINC000257295505	223054772	/nfs/dbraw/zinc/05/47/72/223054772.db2.gz	QYOVPMJHNFAPFP-CQSZACIVSA-N	-1	3	355.395	-0.126	40	0		FBABHM
O=c1cc(C[C@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)nc[n-]1	ZINC000257300169	484265932	/nfs/dbraw/zinc/26/59/32/484265932.db2.gz	RTEMHXCSJJLMEX-GFCCVEGCSA-N	-1	3	358.420	-0.750	40	0		FBABHM
O=c1cc(C[C@@H]2COCCN(S(=O)(=O)N3CCOCC3)C2)nc[n-]1	ZINC000257300170	223056669	/nfs/dbraw/zinc/05/66/69/223056669.db2.gz	RTEMHXCSJJLMEX-LBPRGKRZSA-N	-1	3	358.420	-0.750	40	0		FBABHM
CN(C)C(=O)C[C@H]1CC[C@@H](CNC(=O)c2cnc3[n-]ncn3c2=O)N1C	ZINC000257328505	223067468	/nfs/dbraw/zinc/06/74/68/223067468.db2.gz	XFXCUURZSFLMOM-MNOVXSKESA-N	-1	3	361.406	-0.912	40	0		FBABHM
Cn1cnc(S(=O)(=O)N2CCO[C@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257343145	534809410	/nfs/dbraw/zinc/80/94/10/534809410.db2.gz	ZRQYSWMQDOXMOA-GFCCVEGCSA-N	-1	3	353.404	-0.062	40	0		FBABHM
Cn1cnc(S(=O)(=O)N2CCO[C@@H](CCc3cc(=O)[n-]cn3)C2)c1	ZINC000257343146	534808774	/nfs/dbraw/zinc/80/87/74/534808774.db2.gz	ZRQYSWMQDOXMOA-LBPRGKRZSA-N	-1	3	353.404	-0.062	40	0		FBABHM
CN1CCN(C[C@@H]2OC[C@H]([N-]S(=O)(=O)Cc3ccccc3)[C@H]2O)CC1	ZINC000514288384	483887414	/nfs/dbraw/zinc/88/74/14/483887414.db2.gz	BXZPVEOWSGPUBB-YESZJQIVSA-N	-1	3	369.487	-0.518	40	0	biogenic,in-vitro	FBABHM
O=C(N1C[C@H]2[N-]S(=O)(=O)c3cccnc3O[C@H]2C1)N1CCOCC1	ZINC000514289185	483887453	/nfs/dbraw/zinc/88/74/53/483887453.db2.gz	FWFOBYXRSVISRV-MNOVXSKESA-N	-1	3	354.388	-0.743	40	0	biogenic,in-vitro	FBABHM
COCCNC(=O)[C@@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575404494	484089950	/nfs/dbraw/zinc/08/99/50/484089950.db2.gz	NKJYMYKDJWQKDN-HNNXBMFYSA-N	-1	3	363.414	-0.320	40	0		FBABHM
COCCNC(=O)[C@H]1COC2(CN(C(=O)c3cccc([O-])c3)C2)CN1C	ZINC000575404495	484090276	/nfs/dbraw/zinc/09/02/76/484090276.db2.gz	NKJYMYKDJWQKDN-OAHLLOKOSA-N	-1	3	363.414	-0.320	40	0		FBABHM