smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(C[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3C)CC2)cn1 ZINC000072436135 203224621 /nfs/dbraw/zinc/22/46/21/203224621.db2.gz XQMDCJMGFZNULQ-UHFFFAOYSA-N 1 2 344.415 2.061 1 0 EEAFLO C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@@H](C)[NH2+]1 ZINC000103284849 204072487 /nfs/dbraw/zinc/07/24/87/204072487.db2.gz NCKOHVXJFRVSMV-VXGBXAGGSA-N 1 2 341.411 2.221 1 0 EEAFLO Cc1c(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cnn1C ZINC000072274949 203188601 /nfs/dbraw/zinc/18/86/01/203188601.db2.gz QAMVAXUHVOGFKE-UHFFFAOYSA-N 1 2 339.399 2.278 1 0 EEAFLO c1ccc2c(c1)O[C@@H]([NH+]1CCCC1)c1cnc(N3CCOCC3)nc1-2 ZINC000029208341 135742995 /nfs/dbraw/zinc/74/29/95/135742995.db2.gz LMAOUUVQFQUAOU-GOSISDBHSA-N 1 2 338.411 2.467 1 0 EEAFLO O[C@@H]1CO[C@H](n2c3cc(Cl)c(Cl)cc3[nH+]c2NC2CC2)[C@@H]1O ZINC000026494605 202143512 /nfs/dbraw/zinc/14/35/12/202143512.db2.gz JWUSTNLBSHEJLK-UPJWGTAASA-N 1 2 344.198 2.168 1 0 EEAFLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@H+](Cc2ccno2)C1 ZINC000095402368 218337875 /nfs/dbraw/zinc/33/78/75/218337875.db2.gz XFFFZBWQTSFAJA-CQSZACIVSA-N 1 2 332.404 2.409 1 0 EEAFLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000095402368 218337877 /nfs/dbraw/zinc/33/78/77/218337877.db2.gz XFFFZBWQTSFAJA-CQSZACIVSA-N 1 2 332.404 2.409 1 0 EEAFLO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3[nH]nnc3c2)C1C(=O)OC ZINC000026385870 202143030 /nfs/dbraw/zinc/14/30/30/202143030.db2.gz ALROTSWWLJVSQV-WTNDLDAUSA-N 1 2 342.355 2.379 1 0 EEAFLO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nn[nH]c3c2)C1C(=O)OC ZINC000026385870 202143035 /nfs/dbraw/zinc/14/30/35/202143035.db2.gz ALROTSWWLJVSQV-WTNDLDAUSA-N 1 2 342.355 2.379 1 0 EEAFLO Cc1nc(-c2ccc(CN3CCC[C@@H]([NH+](C)C)C3)cc2)[nH]c(=O)c1F ZINC000023338946 212369419 /nfs/dbraw/zinc/36/94/19/212369419.db2.gz IHNTWTRRCTXVOV-MRXNPFEDSA-N 1 2 344.434 2.410 1 0 EEAFLO COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[N@@H+](C)C2 ZINC000103242796 204068649 /nfs/dbraw/zinc/06/86/49/204068649.db2.gz ALSDCLHBWYGJDK-UHFFFAOYSA-N 1 2 345.424 2.096 1 0 EEAFLO COc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CC[N@H+](C)C2 ZINC000103242796 204068653 /nfs/dbraw/zinc/06/86/53/204068653.db2.gz ALSDCLHBWYGJDK-UHFFFAOYSA-N 1 2 345.424 2.096 1 0 EEAFLO CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3CC[NH2+][C@H](C)C3)cc21 ZINC000103282251 204071474 /nfs/dbraw/zinc/07/14/74/204071474.db2.gz CTARTTSEHQLPNL-GFCCVEGCSA-N 1 2 329.400 2.079 1 0 EEAFLO C[N@@H+]1C[C@H](C(N)=O)C=C2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000027442146 202155050 /nfs/dbraw/zinc/15/50/50/202155050.db2.gz BTXXUCVFDKNBPB-AMIZOPFISA-N 1 2 346.228 2.285 1 0 EEAFLO C[N@H+]1C[C@H](C(N)=O)C=C2c3cccc4[nH]c(Br)c(c43)C[C@H]21 ZINC000027442146 202155054 /nfs/dbraw/zinc/15/50/54/202155054.db2.gz BTXXUCVFDKNBPB-AMIZOPFISA-N 1 2 346.228 2.285 1 0 EEAFLO CC[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC[NH2+]1 ZINC000103284748 219283366 /nfs/dbraw/zinc/28/33/66/219283366.db2.gz NXUUXNTZQRHRFI-LBPRGKRZSA-N 1 2 341.411 2.223 1 0 EEAFLO OCCN1CC[NH+]([C@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925258 212335455 /nfs/dbraw/zinc/33/54/55/212335455.db2.gz YHNPEPCGBKSLOS-INIZCTEOSA-N 1 2 347.459 2.443 1 0 EEAFLO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)[nH]n1 ZINC000067642810 524706041 /nfs/dbraw/zinc/70/60/41/524706041.db2.gz BHSDGACRERPWIU-GFCCVEGCSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)[nH]n1 ZINC000067642810 524706050 /nfs/dbraw/zinc/70/60/50/524706050.db2.gz BHSDGACRERPWIU-GFCCVEGCSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 ZINC000067642810 524706062 /nfs/dbraw/zinc/70/60/62/524706062.db2.gz BHSDGACRERPWIU-GFCCVEGCSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 ZINC000067642810 524706073 /nfs/dbraw/zinc/70/60/73/524706073.db2.gz BHSDGACRERPWIU-GFCCVEGCSA-N 1 2 348.834 2.329 1 0 EEAFLO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(F)cc1 ZINC000040424203 213302766 /nfs/dbraw/zinc/30/27/66/213302766.db2.gz OYDHYNPQPQRMCX-DZGCQCFKSA-N 1 2 326.371 2.289 1 0 EEAFLO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(F)cc1 ZINC000040424203 213302770 /nfs/dbraw/zinc/30/27/70/213302770.db2.gz OYDHYNPQPQRMCX-DZGCQCFKSA-N 1 2 326.371 2.289 1 0 EEAFLO OC1CC[NH+](Cc2cn(-c3ccnc4cc(Cl)ccc43)nn2)CC1 ZINC000103270092 219279744 /nfs/dbraw/zinc/27/97/44/219279744.db2.gz RXYUYKIYNMSONO-UHFFFAOYSA-N 1 2 343.818 2.426 1 0 EEAFLO CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@H](C)[NH2+][C@@H](C)C3)cc21 ZINC000103282260 219282622 /nfs/dbraw/zinc/28/26/22/219282622.db2.gz PLJXUCLLKRASCC-STQMWFEESA-N 1 2 343.427 2.467 1 0 EEAFLO COc1ccc(-c2csc(NC(=O)CC[NH+]3CCOCC3)n2)cc1 ZINC000040895477 213398705 /nfs/dbraw/zinc/39/87/05/213398705.db2.gz IIEXYMJNNXQDKE-UHFFFAOYSA-N 1 2 347.440 2.480 1 0 EEAFLO C[NH+]1CCN(C(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1 ZINC000036289030 213082183 /nfs/dbraw/zinc/08/21/83/213082183.db2.gz UXJLPZWXTAWFIT-UHFFFAOYSA-N 1 2 337.383 2.153 1 0 EEAFLO CCOC(=O)c1sc(NC(=O)[C@H](C)[NH+]2CCCCC2)nc1C ZINC000084653199 217627630 /nfs/dbraw/zinc/62/76/30/217627630.db2.gz ZWBCYRWJIRSFCD-NSHDSACASA-N 1 2 325.434 2.441 1 0 EEAFLO C[NH+]1CCN(c2c(F)cc3c(=O)cc4scc5n4c3c2OC5)CC1 ZINC000101498755 219129374 /nfs/dbraw/zinc/12/93/74/219129374.db2.gz DDMSEMYPMBLWIL-UHFFFAOYSA-N 1 2 345.399 2.298 1 0 EEAFLO CC(C)c1nc(CN(C)[C@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000078891680 217140347 /nfs/dbraw/zinc/14/03/47/217140347.db2.gz RMYJGWKGEMVEIP-ZDUSSCGKSA-N 1 2 346.435 2.160 1 0 EEAFLO CC(C)c1nc(CN(C)[C@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000078891680 217140350 /nfs/dbraw/zinc/14/03/50/217140350.db2.gz RMYJGWKGEMVEIP-ZDUSSCGKSA-N 1 2 346.435 2.160 1 0 EEAFLO CC[NH+](CC)[C@H](c1nnnn1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000004190676 210141463 /nfs/dbraw/zinc/14/14/63/210141463.db2.gz WZERLXNSIQRQIZ-HOTGVXAUSA-N 1 2 333.411 2.422 3 0 EEAFLO O=C(Cc1ccc2c(c1)CCCC2)N[C@@H]1CC[C@@H](n2cc[nH+]c2)[C@@H]1O ZINC000257269050 244369580 /nfs/dbraw/zinc/36/95/80/244369580.db2.gz MOJDWZMKEDLGJB-QWFCFKBJSA-N 1 2 339.439 2.185 1 0 EEAFLO C[C@H]1C[N@H+](CC(=O)NCCc2ccncc2)Cc2ccccc2O1 ZINC000011791193 211248752 /nfs/dbraw/zinc/24/87/52/211248752.db2.gz DRYVEISYFFMIFT-HNNXBMFYSA-N 1 2 325.412 2.023 1 0 EEAFLO C[C@H]1C[N@@H+](CC(=O)NCCc2ccncc2)Cc2ccccc2O1 ZINC000011791193 211248757 /nfs/dbraw/zinc/24/87/57/211248757.db2.gz DRYVEISYFFMIFT-HNNXBMFYSA-N 1 2 325.412 2.023 1 0 EEAFLO CC(=O)NC1CC[NH+]([C@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103908 216008006 /nfs/dbraw/zinc/00/80/06/216008006.db2.gz SEYYLZJBQFTZRL-SFHVURJKSA-N 1 2 346.381 2.445 1 0 EEAFLO Nc1cccc(NC(=O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000019775364 212065082 /nfs/dbraw/zinc/06/50/82/212065082.db2.gz XHWIRINYKKUBHL-UHFFFAOYSA-N 1 2 328.391 2.169 1 0 EEAFLO CC[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)CC[NH2+]1 ZINC000103284745 219282789 /nfs/dbraw/zinc/28/27/89/219282789.db2.gz NXUUXNTZQRHRFI-GFCCVEGCSA-N 1 2 341.411 2.223 1 0 EEAFLO Cc1nc(-c2ccc(CN3CCC[C@H]([NH+](C)C)C3)cc2)[nH]c(=O)c1F ZINC000023338948 212368732 /nfs/dbraw/zinc/36/87/32/212368732.db2.gz IHNTWTRRCTXVOV-INIZCTEOSA-N 1 2 344.434 2.410 1 0 EEAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCc1c[nH+]c[nH]1 ZINC000026178174 202140554 /nfs/dbraw/zinc/14/05/54/202140554.db2.gz XLFVUIAHSYVKKA-UHFFFAOYSA-N 1 2 344.440 2.150 1 0 EEAFLO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCc1c[nH]c[nH+]1 ZINC000026178174 202140558 /nfs/dbraw/zinc/14/05/58/202140558.db2.gz XLFVUIAHSYVKKA-UHFFFAOYSA-N 1 2 344.440 2.150 1 0 EEAFLO Cc1ccc(N2CC[NH+](CCNC(=O)c3ccco3)CC2)c(C)c1 ZINC000028471300 202171039 /nfs/dbraw/zinc/17/10/39/202171039.db2.gz JWVDGPBTXDCPOB-UHFFFAOYSA-N 1 2 327.428 2.448 1 0 EEAFLO CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3CC[NH2+][C@@H](C)C3)cc21 ZINC000103282254 204071844 /nfs/dbraw/zinc/07/18/44/204071844.db2.gz CTARTTSEHQLPNL-LBPRGKRZSA-N 1 2 329.400 2.079 1 0 EEAFLO C[C@@]1(C[NH3+])CCN(c2ccc3c(c2)n(C2CC2)cc(C(=O)O)c3=O)C1 ZINC000103284833 204072441 /nfs/dbraw/zinc/07/24/41/204072441.db2.gz NMAOAATWOQEVEX-IBGZPJMESA-N 1 2 341.411 2.210 1 0 EEAFLO C[C@@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022036692 202077934 /nfs/dbraw/zinc/07/79/34/202077934.db2.gz GGYDJTNPUODFMX-APWZRJJASA-N 1 2 338.455 2.189 3 0 EEAFLO O=c1cccccc1N1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000029562423 202189154 /nfs/dbraw/zinc/18/91/54/202189154.db2.gz FBRHADWPZYJKKS-LJQANCHMSA-N 1 2 328.387 2.042 1 0 EEAFLO COc1ccc2[nH+]c(-c3ccccc3)c(C[C@@H](CO)NC(C)=O)n2c1 ZINC000072180354 203182234 /nfs/dbraw/zinc/18/22/34/203182234.db2.gz OGWZOWQWVDHDNQ-HNNXBMFYSA-N 1 2 339.395 2.049 1 0 EEAFLO O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1Cn1cc[nH+]c1 ZINC000103173279 219265534 /nfs/dbraw/zinc/26/55/34/219265534.db2.gz WTLPNCACODFLJD-UHFFFAOYSA-N 1 2 332.363 2.336 1 0 EEAFLO CCC1=[NH+][C@@H]2C[C@]3(c4ccccc4N(OC)C3=O)[C@@H]3C[C@H]1[C@H]2CO3 ZINC000085508460 560074252 /nfs/dbraw/zinc/07/42/52/560074252.db2.gz BIGABVPVCRHEES-MKKBAJBDSA-N 1 2 326.396 2.491 1 0 biogenic,in-vitro EEAFLO O=C(C[NH+]1CCC(c2cccc[n+]2[O-])CC1)Nc1ccc(F)cc1F ZINC000035075425 213006177 /nfs/dbraw/zinc/00/61/77/213006177.db2.gz AZWFLBHOULILFW-UHFFFAOYSA-N 1 2 347.365 2.416 1 0 EEAFLO C[NH+](C)[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000056696711 214385068 /nfs/dbraw/zinc/38/50/68/214385068.db2.gz PZBCKTIMSCNDIQ-OAHLLOKOSA-N 1 2 339.848 2.316 3 0 EEAFLO O=C(C[NH+]1CCC(c2cccc[n+]2[O-])CC1)Nc1ccccc1F ZINC000038149997 213203772 /nfs/dbraw/zinc/20/37/72/213203772.db2.gz JUPMIVCGRSCHEU-UHFFFAOYSA-N 1 2 329.375 2.277 1 0 EEAFLO Cc1ccc2[nH]c(=O)c3cc(C(=O)N4CC[NH+](C)CC4)sc3c2c1 ZINC000020105126 212101189 /nfs/dbraw/zinc/10/11/89/212101189.db2.gz RJFHGJAVCLQJLK-UHFFFAOYSA-N 1 2 341.436 2.439 1 0 EEAFLO CC(=O)NC1CC[NH+]([C@@H](c2cnccn2)c2ccc(F)cc2F)CC1 ZINC000072103910 216008785 /nfs/dbraw/zinc/00/87/85/216008785.db2.gz SEYYLZJBQFTZRL-GOSISDBHSA-N 1 2 346.381 2.445 1 0 EEAFLO Nc1nc(-c2nccs2)nc2sc(C[NH+]3CCOCC3)cc21 ZINC000118600149 221161268 /nfs/dbraw/zinc/16/12/68/221161268.db2.gz IHXNUNBVWZQVOL-UHFFFAOYSA-N 1 2 333.442 2.229 1 0 EEAFLO CCCn1cc(C(=O)O)c(=O)c2ccc(N3CC[NH+](CC)CC3)cc21 ZINC000103286548 219283307 /nfs/dbraw/zinc/28/33/07/219283307.db2.gz QVWZXOKAEWZCHP-UHFFFAOYSA-N 1 2 343.427 2.252 1 0 EEAFLO Cc1ccc2c(c1)-c1c(c(C(=O)N3CC[NH+](C)CC3)nn1C)CS2 ZINC000015782790 211852986 /nfs/dbraw/zinc/85/29/86/211852986.db2.gz RLJOAWKZCHRCJZ-UHFFFAOYSA-N 1 2 342.468 2.389 1 0 EEAFLO CCNC(=O)Nc1nc2cc(-c3cccnc3)cc(-n3cc[nH+]c3)n2n1 ZINC000040914895 213399696 /nfs/dbraw/zinc/39/96/96/213399696.db2.gz UPZOIZPHMPTTQW-UHFFFAOYSA-N 1 2 348.370 2.118 1 0 EEAFLO COc1ccc2[nH+]c(-c3ccccc3)c(C[C@H](CO)NC(C)=O)n2c1 ZINC000072180355 216066319 /nfs/dbraw/zinc/06/63/19/216066319.db2.gz OGWZOWQWVDHDNQ-OAHLLOKOSA-N 1 2 339.395 2.049 1 0 EEAFLO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@@H](O)C[N@H+]1C ZINC000095099642 560062214 /nfs/dbraw/zinc/06/22/14/560062214.db2.gz XJZFSXZXIKJSHY-JSGCOSHPSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@@H](O)C[N@@H+]1C ZINC000095099642 560062216 /nfs/dbraw/zinc/06/22/16/560062216.db2.gz XJZFSXZXIKJSHY-JSGCOSHPSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO CCC1C(=O)[n+]2ccsc2N(Cc2cc(OC)cc(OC)c2)C1=O ZINC000040554788 213348726 /nfs/dbraw/zinc/34/87/26/213348726.db2.gz JKEFYKWGQWOGHX-CQSZACIVSA-N 1 2 347.416 2.185 1 0 EEAFLO CC[C@@H]1C(=O)[n+]2ccsc2N(Cc2cc(OC)cc(OC)c2)C1=O ZINC000040554788 213348722 /nfs/dbraw/zinc/34/87/22/213348722.db2.gz JKEFYKWGQWOGHX-CQSZACIVSA-N 1 2 347.416 2.185 1 0 EEAFLO CCn1c2ccccc2n(Cc2[nH+]c3ccccc3n2CCO)c1=O ZINC000038142850 213202777 /nfs/dbraw/zinc/20/27/77/213202777.db2.gz VRJSPQKOXXLCGB-UHFFFAOYSA-N 1 2 336.395 2.213 1 0 EEAFLO C[C@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022036696 212272965 /nfs/dbraw/zinc/27/29/65/212272965.db2.gz GGYDJTNPUODFMX-QFBILLFUSA-N 1 2 338.455 2.189 3 0 EEAFLO COc1cc2c(cc1O)-c1c3c(cc4c1[C@H](C2)[N@H+](C)C[C@@H]4O)OCO3 ZINC000095099637 560062091 /nfs/dbraw/zinc/06/20/91/560062091.db2.gz ZKVBEKITZRNFLX-JSGCOSHPSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO COc1cc2c(cc1O)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)C[C@@H]4O)OCO3 ZINC000095099637 560062092 /nfs/dbraw/zinc/06/20/92/560062092.db2.gz ZKVBEKITZRNFLX-JSGCOSHPSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO C[C@H](c1ccccc1F)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000004903164 210317493 /nfs/dbraw/zinc/31/74/93/210317493.db2.gz RTVXTXYUNUCADF-CYBMUJFWSA-N 1 2 342.378 2.043 3 0 EEAFLO C[C@@H](c1ccccc1F)n1cc(C(=O)NCCCn2cc[nH+]c2)nn1 ZINC000004903153 210317344 /nfs/dbraw/zinc/31/73/44/210317344.db2.gz RTVXTXYUNUCADF-ZDUSSCGKSA-N 1 2 342.378 2.043 3 0 EEAFLO OCC[C@H]1CN(Cc2ccccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020780414 212171734 /nfs/dbraw/zinc/17/17/34/212171734.db2.gz OOQAVJZCFIKHRF-IBGZPJMESA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@H]1CN(Cc2ccccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020780414 212171738 /nfs/dbraw/zinc/17/17/38/212171738.db2.gz OOQAVJZCFIKHRF-IBGZPJMESA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@H]1C[N@H+](Cc2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000020780414 212171743 /nfs/dbraw/zinc/17/17/43/212171743.db2.gz OOQAVJZCFIKHRF-IBGZPJMESA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@H]1C[N@@H+](Cc2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000020780414 212171748 /nfs/dbraw/zinc/17/17/48/212171748.db2.gz OOQAVJZCFIKHRF-IBGZPJMESA-N 1 2 329.419 2.290 1 0 EEAFLO CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@@H](C)[NH2+][C@@H](C)C3)cc21 ZINC000103282258 219282403 /nfs/dbraw/zinc/28/24/03/219282403.db2.gz PLJXUCLLKRASCC-BETUJISGSA-N 1 2 343.427 2.467 1 0 EEAFLO C[C@@H]1C[N@H+](CC(=O)NCCc2ccncc2)Cc2ccccc2O1 ZINC000011791192 211247665 /nfs/dbraw/zinc/24/76/65/211247665.db2.gz DRYVEISYFFMIFT-OAHLLOKOSA-N 1 2 325.412 2.023 1 0 EEAFLO C[C@@H]1C[N@@H+](CC(=O)NCCc2ccncc2)Cc2ccccc2O1 ZINC000011791192 211247668 /nfs/dbraw/zinc/24/76/68/211247668.db2.gz DRYVEISYFFMIFT-OAHLLOKOSA-N 1 2 325.412 2.023 1 0 EEAFLO O=C(Cn1cc[nH+]c1)N1C[C@@H]2CC[C@H](Oc3cccc(F)c3)[C@@H]2C1 ZINC000257319747 244515175 /nfs/dbraw/zinc/51/51/75/244515175.db2.gz VTXRLNRMQNFTTQ-XKQJLSEDSA-N 1 2 329.375 2.338 1 0 EEAFLO Cc1cc(NC(=O)C[NH+]2CCC(O)(c3cccc(F)c3)CC2)no1 ZINC000004985109 210349267 /nfs/dbraw/zinc/34/92/67/210349267.db2.gz PHVDAIORHFPGQX-UHFFFAOYSA-N 1 2 333.363 2.044 3 0 EEAFLO C[NH2+]C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282736 219282285 /nfs/dbraw/zinc/28/22/85/219282285.db2.gz FVWJFCNPRUCMAT-LBPRGKRZSA-N 1 2 341.411 2.080 1 0 EEAFLO C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@H](C)[NH2+]1 ZINC000103284846 219283166 /nfs/dbraw/zinc/28/31/66/219283166.db2.gz NCKOHVXJFRVSMV-RYUDHWBXSA-N 1 2 341.411 2.221 1 0 EEAFLO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)C[N@H+]1C ZINC000095099643 560062190 /nfs/dbraw/zinc/06/21/90/560062190.db2.gz XJZFSXZXIKJSHY-GXTWGEPZSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO COc1cc2c(cc1O)C[C@H]1c3c(cc4c(c3-2)OCO4)[C@H](O)C[N@@H+]1C ZINC000095099643 560062192 /nfs/dbraw/zinc/06/21/92/560062192.db2.gz XJZFSXZXIKJSHY-GXTWGEPZSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO CCCn1cc(C(=O)O)c(=O)c2ccc(N3CC[C@@H](C[NH2+]C)C3)cc21 ZINC000103284740 219282762 /nfs/dbraw/zinc/28/27/62/219282762.db2.gz UGNQFLJHTBDQPN-ZDUSSCGKSA-N 1 2 343.427 2.155 1 0 EEAFLO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)sc2NC(N)=O)CC1 ZINC000040393598 213296576 /nfs/dbraw/zinc/29/65/76/213296576.db2.gz YJSLIKPGKFXTDB-UHFFFAOYSA-N 1 2 344.440 2.293 1 0 EEAFLO C=C1[NH2+]C(=C)C(C(=O)OC)C(c2ccc3nn[nH]c3c2)C1C(=O)OC ZINC000100028545 219088759 /nfs/dbraw/zinc/08/87/59/219088759.db2.gz ALROTSWWLJVSQV-XERWBJCMSA-N 1 2 342.355 2.379 1 0 EEAFLO C[C@]1(C[NH3+])CCN(c2ccc3c(c2)n(C2CC2)cc(C(=O)O)c3=O)C1 ZINC000103284830 219283140 /nfs/dbraw/zinc/28/31/40/219283140.db2.gz NMAOAATWOQEVEX-LJQANCHMSA-N 1 2 341.411 2.210 1 0 EEAFLO C[NH2+]C[C@@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)C1 ZINC000103280586 219282472 /nfs/dbraw/zinc/28/24/72/219282472.db2.gz MQMDWUOXOHTLLL-ZDUSSCGKSA-N 1 2 343.427 2.326 1 0 EEAFLO C[C@@H](O)CCn1c2ccccc2[nH+]c1Cn1c(=O)[nH]c2ccccc21 ZINC000038142854 213202539 /nfs/dbraw/zinc/20/25/39/213202539.db2.gz KAXXDTVCCUQTMA-CYBMUJFWSA-N 1 2 336.395 2.499 1 0 EEAFLO CCn1c(C)c(C)c2cc(C(=O)NCC[NH+]3CCOCC3)ccc21 ZINC000020583780 212149992 /nfs/dbraw/zinc/14/99/92/212149992.db2.gz AUGSQSUZSQAKGI-UHFFFAOYSA-N 1 2 329.444 2.340 3 0 EEAFLO C[C@H](Cn1cc[nH+]c1)Cn1nnc2ccc(Br)cc2c1=O ZINC000026391241 202143240 /nfs/dbraw/zinc/14/32/40/202143240.db2.gz GEYPUADDQVCXBW-SNVBAGLBSA-N 1 2 348.204 2.087 1 0 EEAFLO CCCC[NH+]1CCN(C(=O)c2cc(=O)c3c(O)cccc3o2)CC1 ZINC000028638988 202173826 /nfs/dbraw/zinc/17/38/26/202173826.db2.gz HASQKMISHCUPDA-UHFFFAOYSA-N 1 2 330.384 2.057 1 0 EEAFLO CCCC[NH+]1CCN(C(=O)c2cc(O)c3c(=O)cccc-3o2)CC1 ZINC000028638988 202173828 /nfs/dbraw/zinc/17/38/28/202173828.db2.gz HASQKMISHCUPDA-UHFFFAOYSA-N 1 2 330.384 2.057 1 0 EEAFLO [NH3+]Cc1cc(S(=O)(=O)Nc2cc(O)cc3cccnc32)ccc1F ZINC000035000938 202283219 /nfs/dbraw/zinc/28/32/19/202283219.db2.gz PSNMYYQOTDSGQG-UHFFFAOYSA-N 1 2 347.371 2.339 1 0 EEAFLO COc1c2occc2c(C[NH+]2CCN(C)CC2)c2ccc(=O)oc21 ZINC000022036048 202077655 /nfs/dbraw/zinc/07/76/55/202077655.db2.gz OINNWZSKOOEYQP-UHFFFAOYSA-N 1 2 328.368 2.295 1 0 EEAFLO NC(=O)OC1=C(OC(N)=O)[C@H](c2ccccc2)[NH2+][C@@H]1c1ccccc1 ZINC000026379405 202142874 /nfs/dbraw/zinc/14/28/74/202142874.db2.gz YJPVVYVJABRZML-OKILXGFUSA-N 1 2 339.351 2.474 1 0 EEAFLO CC(C)c1nc(CN(C)[C@@H]2CC[N@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000078891671 217140578 /nfs/dbraw/zinc/14/05/78/217140578.db2.gz RMYJGWKGEMVEIP-CYBMUJFWSA-N 1 2 346.435 2.160 1 0 EEAFLO CC(C)c1nc(CN(C)[C@@H]2CC[N@@H+](Cc3nc(C4CC4)no3)C2)no1 ZINC000078891671 217140582 /nfs/dbraw/zinc/14/05/82/217140582.db2.gz RMYJGWKGEMVEIP-CYBMUJFWSA-N 1 2 346.435 2.160 1 0 EEAFLO CC[NH+](CC)[C@@H](c1nnnn1C[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000004190681 210142712 /nfs/dbraw/zinc/14/27/12/210142712.db2.gz WZERLXNSIQRQIZ-JKSUJKDBSA-N 1 2 333.411 2.422 3 0 EEAFLO CC[NH+](CC)[C@@H](c1nnnn1C[C@H]1CCCO1)c1ccc(F)cc1 ZINC000004190686 210142796 /nfs/dbraw/zinc/14/27/96/210142796.db2.gz WZERLXNSIQRQIZ-HZPDHXFCSA-N 1 2 333.411 2.422 3 0 EEAFLO C[C@H](NC(=O)c1cccnc1)[C@@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022036689 212272198 /nfs/dbraw/zinc/27/21/98/212272198.db2.gz GGYDJTNPUODFMX-LPHOPBHVSA-N 1 2 338.455 2.189 3 0 EEAFLO C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C[C@H](C)[NH2+]1 ZINC000103284845 219283998 /nfs/dbraw/zinc/28/39/98/219283998.db2.gz NCKOHVXJFRVSMV-TXEJJXNPSA-N 1 2 341.411 2.221 1 0 EEAFLO C[NH2+]C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2)C1 ZINC000103282738 219282137 /nfs/dbraw/zinc/28/21/37/219282137.db2.gz FVWJFCNPRUCMAT-GFCCVEGCSA-N 1 2 341.411 2.080 1 0 EEAFLO C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1 ZINC000056696710 214385154 /nfs/dbraw/zinc/38/51/54/214385154.db2.gz PZBCKTIMSCNDIQ-HNNXBMFYSA-N 1 2 339.848 2.316 3 0 EEAFLO C[NH2+]C[C@H]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)C1 ZINC000103280583 219282576 /nfs/dbraw/zinc/28/25/76/219282576.db2.gz MQMDWUOXOHTLLL-CYBMUJFWSA-N 1 2 343.427 2.326 1 0 EEAFLO C[C@@H](NC(=O)c1cccnc1)[C@H](c1ccccc1)[NH+]1CCN(C)CC1 ZINC000022036699 212273426 /nfs/dbraw/zinc/27/34/26/212273426.db2.gz GGYDJTNPUODFMX-VQIMIIECSA-N 1 2 338.455 2.189 3 0 EEAFLO Cc1cc(C(=O)NC[NH+]2CCC(c3cccc[n+]3[O-])CC2)ccc1F ZINC000038149984 213203734 /nfs/dbraw/zinc/20/37/34/213203734.db2.gz DFUMNURDHJNHTI-UHFFFAOYSA-N 1 2 343.402 2.334 1 0 EEAFLO Cc1ccc2nc3c(O)n(CC(=O)NCc4ccco4)[nH+]cc-3c2c1 ZINC000101786610 219164902 /nfs/dbraw/zinc/16/49/02/219164902.db2.gz IFQJZCRGJZMUMG-UHFFFAOYSA-N 1 2 336.351 2.460 1 0 EEAFLO C[C@H](O)CCn1c2ccccc2[nH+]c1Cn1c(=O)[nH]c2ccccc21 ZINC000038142853 213202040 /nfs/dbraw/zinc/20/20/40/213202040.db2.gz KAXXDTVCCUQTMA-ZDUSSCGKSA-N 1 2 336.395 2.499 1 0 EEAFLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@H+](Cc2ccno2)C1 ZINC000095402369 218337935 /nfs/dbraw/zinc/33/79/35/218337935.db2.gz XFFFZBWQTSFAJA-AWEZNQCLSA-N 1 2 332.404 2.409 1 0 EEAFLO CC(=O)N(Cc1ncc(C(C)C)o1)[C@H]1CC[N@@H+](Cc2ccno2)C1 ZINC000095402369 218337936 /nfs/dbraw/zinc/33/79/36/218337936.db2.gz XFFFZBWQTSFAJA-AWEZNQCLSA-N 1 2 332.404 2.409 1 0 EEAFLO Cc1[nH+]c2cc(-c3nn(C(C)(C)C)c(N)c3C(N)=O)ccc2n1C ZINC000103247878 219275706 /nfs/dbraw/zinc/27/57/06/219275706.db2.gz XAJXMPKSOYVLDT-UHFFFAOYSA-N 1 2 326.404 2.181 1 0 EEAFLO CC(C)Nc1[nH+]c2cc(Cl)c(Cl)cc2n1[C@@H]1OC[C@@H](O)[C@H]1O ZINC000032063964 212785177 /nfs/dbraw/zinc/78/51/77/212785177.db2.gz SXFPESHSABVKRF-JHJVBQTASA-N 1 2 346.214 2.414 1 0 EEAFLO CCCn1cc(C(=O)O)c(=O)c2ccc(N3CC[C@H](C[NH2+]C)C3)cc21 ZINC000103284737 219283567 /nfs/dbraw/zinc/28/35/67/219283567.db2.gz UGNQFLJHTBDQPN-CYBMUJFWSA-N 1 2 343.427 2.155 1 0 EEAFLO NC(=[NH2+])Nc1nnc(-c2ccccc2I)s1 ZINC000028000580 202164299 /nfs/dbraw/zinc/16/42/99/202164299.db2.gz MDTGJTMQYHIESH-UHFFFAOYSA-N 1 2 345.169 2.115 1 0 EEAFLO O=c1[nH]c2ccc(Cl)cc2c(=O)n1CCCCCn1cc[nH+]c1 ZINC000026380890 202143189 /nfs/dbraw/zinc/14/31/89/202143189.db2.gz NWFBQJGQJQNTRH-UHFFFAOYSA-N 1 2 332.791 2.410 1 0 EEAFLO CC(C)(C)n1cc(C(=O)O)c(=O)c2cc(F)c(N3CC[C@H]([NH3+])C3)cc21 ZINC000005834218 201361377 /nfs/dbraw/zinc/36/13/77/201361377.db2.gz NGPPAXOOFVLFNT-JTQLQIEISA-N 1 2 347.390 2.131 1 0 EEAFLO CC(C)n1cc(C(=O)O)c(=O)c2ccc(N3C[C@@H](C)[NH2+][C@H](C)C3)cc21 ZINC000103282262 204071462 /nfs/dbraw/zinc/07/14/62/204071462.db2.gz PLJXUCLLKRASCC-CHWSQXEVSA-N 1 2 343.427 2.467 1 0 EEAFLO C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)CC[NH2+]1 ZINC000103282149 219282210 /nfs/dbraw/zinc/28/22/10/219282210.db2.gz UPPHDMZWSRDEJD-LBPRGKRZSA-N 1 2 343.427 2.253 1 0 EEAFLO CCOc1c[nH+]c(N2CCN(c3noc(CC)n3)[C@@H](C)C2)c(C)c1 ZINC000103252701 219276573 /nfs/dbraw/zinc/27/65/73/219276573.db2.gz PNFGQYGHKTVBQU-ZDUSSCGKSA-N 1 2 331.420 2.449 1 0 EEAFLO COc1ccc(N2C=C(c3ccccc3)[C@@H]3C(NN)=[NH+]C=N[C@@H]32)cc1 ZINC000098082677 219080773 /nfs/dbraw/zinc/08/07/73/219080773.db2.gz DQOHQIHEAVWGFL-IEBWSBKVSA-N 1 2 333.395 2.402 1 0 EEAFLO COc1cc2c(cc1O)-c1c3c(cc4c1[C@H](C2)[N@H+](C)C[C@H]4O)OCO3 ZINC000095099638 560062264 /nfs/dbraw/zinc/06/22/64/560062264.db2.gz ZKVBEKITZRNFLX-GXTWGEPZSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO COc1cc2c(cc1O)-c1c3c(cc4c1[C@H](C2)[N@@H+](C)C[C@H]4O)OCO3 ZINC000095099638 560062266 /nfs/dbraw/zinc/06/22/66/560062266.db2.gz ZKVBEKITZRNFLX-GXTWGEPZSA-N 1 2 341.363 2.373 1 0 biogenic,in-vitro EEAFLO OCC[C@@H]1CN(Cc2ccccn2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000096791705 676574744 /nfs/dbraw/zinc/57/47/44/676574744.db2.gz OOQAVJZCFIKHRF-LJQANCHMSA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@@H]1CN(Cc2ccccn2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000096791705 676574745 /nfs/dbraw/zinc/57/47/45/676574745.db2.gz OOQAVJZCFIKHRF-LJQANCHMSA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@@H]1C[N@H+](Cc2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000096791705 676574746 /nfs/dbraw/zinc/57/47/46/676574746.db2.gz OOQAVJZCFIKHRF-LJQANCHMSA-N 1 2 329.419 2.290 1 0 EEAFLO OCC[C@@H]1C[N@@H+](Cc2ccccn2)CCN1Cc1ccc(F)cc1 ZINC000096791705 676574747 /nfs/dbraw/zinc/57/47/47/676574747.db2.gz OOQAVJZCFIKHRF-LJQANCHMSA-N 1 2 329.419 2.290 1 0 EEAFLO Cc1noc(C)c1C(=O)N1CCC2(CN(c3cccc[nH+]3)C2)CC1 ZINC000004237993 210148391 /nfs/dbraw/zinc/14/83/91/210148391.db2.gz XUONWEWKNLLSSN-UHFFFAOYSA-N 1 2 326.400 2.429 1 0 EEAFLO C[C@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CC[NH2+]1 ZINC000103280593 219281827 /nfs/dbraw/zinc/28/18/27/219281827.db2.gz KXEWZCBVOPPGIB-LBPRGKRZSA-N 1 2 341.411 2.223 1 0 EEAFLO COc1ccc(OC)c(NCc2cccc3[nH+]c(N)nc(N)c23)c1 ZINC000013740536 211628359 /nfs/dbraw/zinc/62/83/59/211628359.db2.gz PEPWPBUTUYSCAU-UHFFFAOYSA-N 1 2 325.372 2.424 1 0 EEAFLO Cc1noc(/C=C/[NH+](C)C)c1S(=O)(=O)N1CCc2ccccc21 ZINC000049539850 214015077 /nfs/dbraw/zinc/01/50/77/214015077.db2.gz DCQKRYGEPWLIPY-MDZDMXLPSA-N 1 2 333.413 2.267 3 0 aggregator EEAFLO CC[NH+]1CCN(c2ccc3c(=O)c(C(=O)O)cn(C(C)C)c3c2)CC1 ZINC000103282264 219281956 /nfs/dbraw/zinc/28/19/56/219281956.db2.gz HKRIJDLSYNVNIK-UHFFFAOYSA-N 1 2 343.427 2.423 1 0 EEAFLO O=c1cc(-c2ccccc2)oc2cc(OCC[NH2+]CCO)cc(O)c12 ZINC000103290690 219284839 /nfs/dbraw/zinc/28/48/39/219284839.db2.gz ACSSTMARLRNEGD-UHFFFAOYSA-N 1 2 341.363 2.126 1 0 EEAFLO O=C1COc2cc(C[NH+]3CCOCC3)ccc2N1Cc1ccccc1 ZINC000103245212 219274135 /nfs/dbraw/zinc/27/41/35/219274135.db2.gz FHLGIJIZUYHIPX-UHFFFAOYSA-N 1 2 338.407 2.444 1 0 EEAFLO C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C(C)(C)C)c3c2)CC[NH2+]1 ZINC000103282147 219282277 /nfs/dbraw/zinc/28/22/77/219282277.db2.gz UPPHDMZWSRDEJD-GFCCVEGCSA-N 1 2 343.427 2.253 1 0 EEAFLO OCCN1CC[NH+]([C@@H]2Cn3cccc3Sc3ccc(F)cc32)CC1 ZINC000022925253 212336825 /nfs/dbraw/zinc/33/68/25/212336825.db2.gz YHNPEPCGBKSLOS-MRXNPFEDSA-N 1 2 347.459 2.443 1 0 EEAFLO OCC[C@@H]1CN(Cc2ccon2)CC[N@@H+]1Cc1ccc(F)c(F)c1 ZINC000022853548 212329821 /nfs/dbraw/zinc/32/98/21/212329821.db2.gz SBFMJNQBFFXTPN-OAHLLOKOSA-N 1 2 337.370 2.022 3 0 EEAFLO OCC[C@@H]1CN(Cc2ccon2)CC[N@H+]1Cc1ccc(F)c(F)c1 ZINC000022853548 212329824 /nfs/dbraw/zinc/32/98/24/212329824.db2.gz SBFMJNQBFFXTPN-OAHLLOKOSA-N 1 2 337.370 2.022 3 0 EEAFLO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)[nH]n1 ZINC000067642812 524703571 /nfs/dbraw/zinc/70/35/71/524703571.db2.gz BHSDGACRERPWIU-LBPRGKRZSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)[nH]n1 ZINC000067642812 524703579 /nfs/dbraw/zinc/70/35/79/524703579.db2.gz BHSDGACRERPWIU-LBPRGKRZSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@@H+]2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 ZINC000067642812 524703588 /nfs/dbraw/zinc/70/35/88/524703588.db2.gz BHSDGACRERPWIU-LBPRGKRZSA-N 1 2 348.834 2.329 1 0 EEAFLO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(O)c(Cl)c3)C2)n[nH]1 ZINC000067642812 524703596 /nfs/dbraw/zinc/70/35/96/524703596.db2.gz BHSDGACRERPWIU-LBPRGKRZSA-N 1 2 348.834 2.329 1 0 EEAFLO COc1ccc(N2C=C(c3ccccc3)[C@H]3C(NN)=[NH+]C=N[C@@H]32)cc1 ZINC000098082676 219080853 /nfs/dbraw/zinc/08/08/53/219080853.db2.gz DQOHQIHEAVWGFL-PKOBYXMFSA-N 1 2 333.395 2.402 1 0 EEAFLO Cn1cnnc1[C@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019772350 212064485 /nfs/dbraw/zinc/06/44/85/212064485.db2.gz LXYIZUPFRSFPTK-HNNXBMFYSA-N 1 2 338.415 2.169 1 0 EEAFLO Cn1cnnc1[C@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019772350 212064488 /nfs/dbraw/zinc/06/44/88/212064488.db2.gz LXYIZUPFRSFPTK-HNNXBMFYSA-N 1 2 338.415 2.169 1 0 EEAFLO Cn1cnnc1[C@@H]1CCC[N@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019772348 212064527 /nfs/dbraw/zinc/06/45/27/212064527.db2.gz LXYIZUPFRSFPTK-OAHLLOKOSA-N 1 2 338.415 2.169 1 0 EEAFLO Cn1cnnc1[C@@H]1CCC[N@@H+](Cc2nc(Cc3ccccc3)no2)C1 ZINC000019772348 212064529 /nfs/dbraw/zinc/06/45/29/212064529.db2.gz LXYIZUPFRSFPTK-OAHLLOKOSA-N 1 2 338.415 2.169 1 0 EEAFLO NC(=O)c1cccc2cn(-c3ccc(C[NH2+]CC(F)F)cc3)nc21 ZINC000049069426 213983928 /nfs/dbraw/zinc/98/39/28/213983928.db2.gz ZJQXJILIJAEYNO-UHFFFAOYSA-N 1 2 330.338 2.479 1 0 EEAFLO O=C(c1csnn1)N1CCC[C@@]2(CCN(c3cccc[nH+]3)C2)C1 ZINC000003956287 210095309 /nfs/dbraw/zinc/09/53/09/210095309.db2.gz OFTQBYDBKWLTDN-INIZCTEOSA-N 1 2 329.429 2.066 1 0 EEAFLO C[C@@H]1CN(c2ccc3c(=O)c(C(=O)O)cn(C4CCC4)c3c2)CC[NH2+]1 ZINC000103280590 219282332 /nfs/dbraw/zinc/28/23/32/219282332.db2.gz KXEWZCBVOPPGIB-GFCCVEGCSA-N 1 2 341.411 2.223 1 0 EEAFLO